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Comparison of PREDITOR predictions with PDB-derived angles for IIb Cellobiose (E. coli).
Chemical shifts were obtained from 4955,
Reference structure is 1IIBB.


PDB Homologue: 1H9C;    BLAST E value= 1e-42;    %Seq Identity= 99.06


Res#AAφpredErrorφexpψpredErrorψexpχ1predConfχ1expωpredωexp
1MNONE31.00NONE127.94*31.00NONE180.00*0.85NONE180.00NONE
2E-63.60*31.00NONE108.56*31.00NONE180.00*0.85NONE180.00NONE
3K-131.16*31.00NONE137.34*31.00141.25-60.00*0.85-70.80180.00179.70
4K-102.25*31.00-83.36147.80*31.00147.15-60.00*0.85-66.57180.00-178.82
5H-105.26*21.00-102.92115.78*21.00123.61-60.00*0.85-64.37180.00179.45
6I-116.92*11.00-114.71102.45*11.00112.52-60.00*0.85-60.99180.00-179.05
7Y-108.62*11.00-110.78127.42*11.00128.52-60.00*0.85-68.27180.00178.33
8L-104.51*11.00-105.57135.59*11.00138.44-60.00*0.85-74.91180.00-179.78
9F-130.19*11.00-128.14NONE11.00134.60-60.00*0.85-61.51180.00179.62
10S-94.3620.00-164.71158.4222.00162.3360.000.64-178.12180.00177.94
11SNONE11.00-91.21-46.22*11.00-4.49-60.00*0.8555.46180.00178.73
12A-106.93*21.00-105.22-31.68*21.0092.84NONE0.00NONE180.00-177.82
13G97.88*21.00-63.42-0.34*21.00-53.10NONE0.00NONE180.00-178.52
14M-102.12*21.00-63.36-36.84*21.00-49.7260.00*0.85-69.99180.00-179.31
15S-69.62*5.50-63.12-31.92*5.50-36.38-60.00*0.8558.06180.00178.89
16T-62.67*5.50-68.99-18.98*5.50-38.1760.00*0.85-57.58180.00178.62
17S-53.96*5.50-69.12-41.73*5.50-35.6560.00*0.85-72.33180.00179.42
18L-67.27*5.50-62.04-42.74*5.50-46.86180.00*0.85-175.00180.00178.82
19L-59.16*5.50-59.32-45.69*5.50-45.47180.00*0.85-177.49180.00179.52
20V-57.23*5.50-59.51-50.52*5.50-39.84180.00*0.85165.75180.00179.24
21S-54.70*5.50-66.57-46.02*5.50-36.28180.00*0.8584.54180.00178.09
22K-67.52*5.50-70.24-42.86*5.50-39.77-60.00*0.85-70.43180.00178.34
23M-59.30*5.50-64.96-43.66*5.50-40.57-60.00*0.85-70.31180.00179.80
24R-62.45*5.50-63.04-48.28*5.50-36.98-60.00*0.85-77.71180.00179.66
25A-61.61*5.50-64.38-36.09*5.50-42.74NONE0.00NONE180.00179.01
26Q-79.00*5.50-66.11-32.17*5.50-42.37-60.00*0.85-64.49180.00-179.63
27A-64.02*5.50-62.08-35.15*5.50-32.55NONE0.00NONE180.00-179.09
28E-69.91*5.50-76.26-46.65*5.50-40.27-60.00*0.85-164.00180.00179.58
29K-60.81*5.50-59.65-40.81*5.50-43.31180.00*0.85-178.55180.00-179.48
30Y-104.20*21.00-101.1224.59*21.0012.60-60.00*0.85-55.63180.00179.58
31E31.95*21.0048.5156.92*21.0045.0260.00*0.85-63.88180.00178.36
32V-99.74*11.00-79.33108.43*11.00121.41180.00*0.85-166.14180.00-179.64
33P-78.12*11.00-74.3887.10*11.0075.6030.03*0.8535.15180.00179.84
34V-139.15*11.00-137.83148.39*11.00156.67-60.00*0.85-63.87180.00177.72
35I-106.83*11.00-119.10115.94*11.00130.14-60.00*0.85-75.55180.00-177.95
36I-119.28*11.00-124.37114.63*11.00129.73-60.00*0.85-48.19180.00-178.64
37E-139.56*11.00-140.28147.70*11.00149.64-60.00*0.85-53.99180.00177.51
38A-111.12*11.00-112.72137.74*11.00144.92NONE0.00NONE180.00179.62
39F-139.59*11.00-144.51154.18*11.00163.25-60.00*0.85-61.52180.00178.48
40P-70.58*11.00-76.29152.74*11.00155.9217.96*0.8526.56180.00-179.24
41E-57.72*5.50-55.64-26.33*5.50-24.2260.00*0.8574.89180.00-179.25
42T-56.07*5.50-65.48-32.97*5.50-24.2460.00*0.8554.93180.00-179.94
43L-96.51*5.50-92.7115.40*5.507.11-60.00*0.85-69.23180.00-178.96
44A-60.10*5.50-51.77-40.82*5.50-36.51NONE0.00NONE180.00179.07
45G-65.25*5.50-83.49-63.06*5.50-45.33NONE0.00NONE180.00-178.76
46E-57.66*15.50-67.86-49.19*15.50-42.10180.00*0.85-165.25180.00-179.87
47K-90.17*21.00-90.71-31.25*21.00-40.56-60.00*0.85-71.03180.00-179.65
48G-61.19*15.50-53.06-24.26*15.50-33.29NONE0.00NONE180.00179.94
49Q-57.99*15.50-62.62-29.91*15.50-24.15-60.00*0.8568.22180.00-179.51
50N-106.08*15.50-94.834.51*15.502.81-60.00*0.85-63.18180.00-178.48
51A-80.60*11.00-92.99142.88*11.00158.41NONE0.00NONE180.00177.91
52D-89.05*5.50-93.38-29.52*5.50-24.23-60.00*0.85-71.69180.00176.10
53V-146.25*11.00-154.54142.68*11.00135.4760.00*0.8560.46180.00-178.92
54V-107.59*11.00-108.46123.27*11.00118.90180.00*0.85167.59180.00179.70
55L-113.19*11.00-109.93132.90*11.00131.21-60.00*0.85-64.01180.00-179.10
56L-110.62*11.00-106.42142.29*11.00135.85-60.00*0.85-54.38180.00177.45
57G-64.82*21.00-68.03136.84*21.00152.24NONE0.00NONE180.00-179.63
58P-56.30*21.00-51.76-27.68*21.00-33.4815.73*0.85-23.78180.00-179.49
59Q-61.81*21.00-58.10-28.53*21.00-31.6860.00*0.85-55.72180.00-180.00
60I-113.71*21.00-112.9126.97*21.0026.6360.00*0.8560.06180.00179.55
61A-65.25*15.50-56.27-31.29*15.50-35.48NONE0.00NONE180.00179.22
62Y-62.33*15.50-56.27-21.04*15.50-26.4760.00*0.8567.04180.00179.78
63M-86.63*15.50-81.08-0.26*15.50-5.18-60.00*0.85-73.29180.00-178.10
64L-52.82*5.50-44.19-50.15*5.50-56.11180.00*0.85-179.00180.00179.94
65P-54.01*5.50-56.02-37.90*5.50-39.64-26.41*0.85-24.00180.00-179.53
66E-78.41*5.50-72.66-37.57*5.50-35.28180.00*0.8555.29180.00178.10
67I-75.90*5.50-66.92-33.82*5.50-36.01-60.00*0.85-60.99180.00178.25
68Q-58.72*5.50-64.59-40.79*5.50-37.65180.00*0.85-75.28180.00178.08
69R-60.89*5.50-70.68-45.00*5.50-33.08180.00*0.85-79.36180.00179.43
70L-63.96*5.50-69.16-42.90*5.50-42.82-60.00*0.85-151.14180.00-179.02
71L-124.02*11.00-121.5571.01*11.0073.34-60.00*0.85-45.36180.00-178.84
72P-76.21*5.50-62.50-8.68*5.50-24.0831.30*0.8533.20180.00-179.35
73N-109.85*5.50-99.504.46*5.5019.85-60.00*0.8564.43180.00-177.60
74K-121.62*11.00-131.02134.25*11.00143.79-60.00*0.85-53.40180.00178.63
75P-69.52*11.00-75.19117.54*11.00125.6625.64*0.8519.36180.00-179.89
76V-121.01*11.00-125.32114.28*11.00127.61180.00*0.85-179.48180.00177.67
77E-128.59*21.00-149.36154.86*21.00158.77-60.00*0.8561.27180.00-179.66
78V-96.23*21.00-88.14139.80*21.00136.92180.00*0.85-178.79180.00-179.88
79I-74.40*11.00-73.24129.28*11.00137.97-60.00*0.85-63.55180.00178.70
80D-57.42*11.00-57.45131.03*11.00128.38180.00*0.85-179.67180.00179.75
81S-48.20*5.50-57.45-46.89*5.50-36.17180.00*0.8545.93180.00178.47
82L-70.41*5.50-72.23-43.82*5.50-40.58180.00*0.85-104.11180.00178.53
83L-59.76*5.50-64.66-38.97*5.50-38.26-60.00*0.85-67.39180.00178.76
84Y-68.68*5.50-67.97-45.68*5.50-46.96180.00*0.85-177.01180.00179.82
85G-62.84*21.00-60.88-35.78*21.00-36.12NONE0.00NONE180.00-179.37
86K-83.02*31.00-88.05-17.04*31.002.14180.00*0.85-72.08180.00-179.46
87V45.36*31.0051.7365.10*31.0049.36180.00*0.85-154.37180.00-179.89
88D-102.49*31.00-82.8193.52*31.0085.52180.00*0.85-168.08180.00179.92
89G-56.47*21.00-56.61-43.13*21.00-42.67NONE0.00NONE180.00-179.96
90L-67.23*5.50-70.96-43.95*5.50-39.88180.00*0.85-177.72180.00-179.63
91G-54.73*5.50-60.85-48.63*5.50-47.77NONE0.00NONE180.00179.85
92V-69.79*5.50-68.19-39.84*5.50-38.80180.00*0.85-178.53180.00178.60
93L-61.16*5.50-60.47-44.44*5.50-41.78180.00*0.85-179.56180.00178.81
94K-63.11*5.50-62.97-40.12*5.50-45.55-60.00*0.85-75.03180.00179.17
95A-66.26*5.50-61.60-38.31*5.50-38.98NONE0.00NONE180.00179.25
96A-65.19*5.50-63.54-46.86*5.50-47.29NONE0.00NONE180.00-179.39
97V-66.24*5.50-63.76-39.39*5.50-37.76180.00*0.85178.02180.00178.35
98A-62.75*5.50-60.65-40.87*5.50-47.53NONE0.00NONE180.00-179.80
99A-68.59*5.50-58.03-38.97*5.50-39.90NONE0.00NONE180.00-179.82
100I-59.09*5.50-62.83-48.60*5.50-42.03-60.00*0.85-61.21180.00-179.95
101K-66.91*5.50-70.00-27.93*5.50-42.02-60.00*0.85-94.46180.00177.88
102K-84.42*21.00-61.4512.33*21.00-39.35180.00*0.85166.54180.00-179.91
103A-119.01*31.00-64.16-50.89*31.00-29.40NONE0.00NONE180.00179.87
104A-70.56*41.00-56.69-24.20*41.00-6.35NONE0.00NONE180.00179.00
105A-163.27*41.0096.07-169.09*41.00NONENONE0.00NONE180.00NONE
106N74.76*41.00NONENONE41.00NONE-60.00*0.85NONE180.00NONE

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