#	AA	SS3	SS8	ASA 	HSEa-u	HSEa-d	CN13	theta	tau 	phi 	psi 	P(3-C)	P(3-E)	P(3-H)	P(8-C)	P(8-S)	P(8-T)	P(8-H)	P(8-G)	P(8-I)	P(8-E)	P(8-B)	
0	M	C	C	97.97	8.76	14.63	24.17	117.51	-158.32	-101.43	130.44	99.60	0.35	0.05	99.57	0.12	0.06	0.03	0.01	0.00	0.18	0.05
1	F	C	C	119.24	6.99	11.96	20.24	114.99	-164.24	-99.56	133.88	77.10	11.75	11.15	69.28	1.81	5.25	10.38	1.51	0.00	8.46	3.30
2	G	C	C	43.52	5.39	12.72	19.26	112.38	45.99	-101.44	140.17	68.71	12.92	18.37	46.30	11.57	9.32	17.31	2.92	0.03	10.38	2.17
3	V	C	C	82.11	7.23	11.46	19.79	108.67	-6.70	-91.39	105.59	54.55	14.11	31.34	40.72	7.41	5.33	29.53	3.19	0.02	11.93	1.87
4	T	C	H	73.22	7.13	12.18	20.52	108.02	79.99	-92.28	67.77	44.08	13.69	42.23	32.42	6.21	4.88	39.42	3.36	0.03	12.39	1.28
5	R	H	H	139.20	5.35	13.00	19.63	104.39	63.44	-82.32	-12.95	31.27	13.21	55.52	22.30	4.96	4.89	49.51	4.68	0.04	12.48	1.13
6	K	H	H	125.43	4.03	14.42	19.44	102.25	56.75	-77.22	-21.05	27.42	13.16	59.42	19.68	3.93	4.73	52.42	5.25	0.04	12.87	1.07
7	L	H	H	71.33	9.91	12.70	23.40	100.52	54.12	-76.39	-28.67	25.70	9.94	64.35	17.68	4.00	5.62	55.81	6.24	0.06	9.51	1.07
8	L	H	H	78.89	9.43	13.44	23.60	99.84	54.37	-77.31	-22.52	25.43	5.90	68.67	13.35	4.69	9.04	59.08	7.40	0.14	5.40	0.91
9	G	H	H	40.94	5.39	16.00	22.26	104.32	51.36	-57.59	-44.61	36.05	2.92	61.03	12.71	6.27	18.08	52.36	7.37	0.17	2.36	0.69
10	E	H	H	108.77	5.61	15.66	22.15	104.12	45.04	-82.02	3.75	41.74	3.76	54.50	17.29	7.74	17.90	45.86	7.26	0.13	2.92	0.89
11	L	H	H	64.57	12.90	12.11	25.05	105.55	60.37	-83.28	58.54	40.71	6.11	53.18	21.46	8.90	12.07	42.31	9.14	0.15	4.54	1.43
12	S	H	H	55.84	8.85	15.08	24.70	108.63	69.58	-89.63	49.34	44.19	7.57	48.24	23.59	7.85	12.94	35.89	12.14	0.10	6.15	1.35
13	E	C	H	113.54	6.22	16.43	23.31	105.87	60.88	-89.89	39.92	45.93	12.92	41.15	20.10	9.88	16.07	28.83	12.29	0.22	10.89	1.71
14	Y	C	H	101.33	10.73	15.16	26.34	116.21	49.15	-99.30	127.94	42.05	24.38	33.58	23.04	8.21	11.33	24.03	9.73	0.19	20.98	2.48
15	V	C	E	40.10	15.07	12.83	28.18	120.39	-163.88	-109.46	134.44	45.36	38.27	16.38	33.48	7.24	3.92	13.72	3.51	0.07	35.02	3.04
16	E	E	E	105.70	5.72	18.46	25.14	118.55	-152.57	-103.33	133.38	42.60	44.73	12.67	33.17	4.86	3.57	10.38	2.91	0.07	42.08	2.95
17	V	E	E	53.53	13.04	10.64	24.23	120.92	-151.76	-105.14	138.07	40.02	51.50	8.47	31.79	4.96	2.01	7.69	1.81	0.10	34.27	17.37
18	N	C	C	64.18	5.74	11.79	19.36	120.64	-126.21	-82.44	169.71	88.18	8.46	3.36	83.59	2.66	2.06	2.08	1.03	0.00	6.94	1.64
19	E	C	T	165.04	1.08	10.83	12.57	93.01	-94.79	-64.58	-22.41	91.03	2.54	6.43	7.77	11.08	72.51	1.98	4.02	0.02	1.81	0.80
20	K	C	T	157.71	0.96	11.45	12.16	95.80	55.02	-88.05	1.78	94.44	0.82	4.74	3.64	10.58	80.54	0.88	3.45	0.00	0.49	0.43
21	G	C	S	44.80	4.88	11.41	17.98	100.76	-101.90	85.68	7.34	95.31	2.59	2.11	25.63	57.73	12.04	0.30	1.87	0.00	1.50	0.93
22	M	C	C	85.75	6.42	11.06	19.47	118.23	141.02	-89.04	139.77	95.68	4.04	0.27	78.34	16.41	0.96	0.10	0.18	0.00	2.39	1.61
23	P	C	C	65.92	8.09	13.00	22.49	113.30	-105.25	-66.79	148.62	65.56	33.11	1.33	51.33	10.42	1.13	0.84	0.53	0.01	9.95	25.79
24	K	C	C	114.22	6.86	13.77	21.93	114.63	-112.87	-82.62	137.54	87.87	4.93	7.20	69.94	14.32	3.50	4.84	2.47	0.00	3.02	1.92
25	P	C	C	76.39	8.79	13.40	23.04	104.71	-108.42	-68.08	119.99	62.11	5.18	32.71	38.20	9.82	13.79	20.48	12.66	0.03	3.70	1.33
26	Q	C	C	107.24	6.14	15.64	22.78	108.99	72.93	-90.25	95.72	48.55	14.89	36.56	28.95	8.59	11.29	23.44	13.28	0.11	12.18	2.17
27	A	C	C	43.98	11.54	13.99	26.15	110.32	59.58	-88.25	119.19	39.83	20.47	39.69	26.81	6.98	6.76	25.93	13.45	0.09	17.67	2.31
28	L	C	C	60.71	12.66	14.48	27.50	111.83	56.89	-92.88	125.65	41.65	23.44	34.91	30.03	6.39	5.37	25.58	9.50	0.09	20.75	2.30
29	S	C	C	52.59	7.85	17.52	26.12	112.97	-155.04	-92.44	132.68	45.53	23.89	30.58	33.07	6.10	6.18	22.07	8.85	0.06	21.47	2.20
30	L	C	C	67.51	12.37	14.00	26.53	99.73	-156.43	-79.43	-11.75	43.53	19.45	37.02	26.36	7.89	10.44	21.24	15.39	0.15	16.12	2.42
31	W	C	T	133.84	8.02	14.38	23.34	99.57	74.17	-77.72	-16.16	56.07	14.68	29.25	22.72	10.59	23.97	15.96	12.53	0.30	11.53	2.41
32	N	C	C	106.24	3.99	15.62	20.56	100.29	52.82	-90.29	20.16	69.75	9.50	20.75	28.11	15.97	27.32	9.61	9.93	0.10	7.15	1.81
33	M	C	C	60.90	11.03	9.87	22.04	115.19	122.32	-94.32	129.89	86.72	4.23	9.05	55.77	27.11	3.83	7.85	1.56	0.01	2.55	1.32
34	P	C	H	86.61	3.62	14.55	19.14	98.25	-122.60	-64.06	-27.35	60.37	2.35	37.28	28.87	10.43	20.52	32.36	5.57	0.03	1.53	0.68
35	Y	C	H	131.89	4.51	14.07	19.62	97.90	54.07	-73.75	-27.63	48.26	4.94	46.80	22.21	9.70	17.68	39.07	6.52	0.15	3.35	1.32
36	A	H	H	39.89	9.23	12.47	23.12	97.79	64.00	-71.43	-32.66	39.20	6.62	54.19	26.50	6.73	6.98	47.31	6.09	0.05	5.03	1.31
37	K	H	H	102.29	7.86	15.27	23.83	97.04	59.09	-70.64	-35.80	30.24	6.69	63.07	20.95	5.09	5.84	56.47	4.96	0.05	5.59	1.04
38	R	H	H	132.52	4.91	16.76	22.40	94.99	54.57	-69.71	-36.75	22.86	5.58	71.56	14.68	4.14	5.65	64.95	4.77	0.06	5.01	0.74
39	R	H	H	122.86	4.66	18.06	23.10	96.05	53.17	-71.97	-36.59	20.33	6.13	73.54	13.30	3.57	5.27	67.04	4.37	0.06	5.57	0.82
40	A	H	H	30.83	10.93	15.64	27.66	96.18	55.42	-66.97	-39.44	18.37	5.62	76.01	12.56	3.11	4.60	70.38	3.55	0.06	4.97	0.78
41	L	H	H	59.94	11.48	16.33	28.11	94.63	53.17	-68.35	-39.26	14.13	4.73	81.14	9.19	2.61	4.09	75.69	3.39	0.06	4.35	0.60
42	T	H	H	67.76	5.18	18.39	24.09	94.18	53.13	-67.59	-39.98	13.87	4.61	81.52	8.09	2.53	4.88	75.75	3.71	0.08	4.37	0.58
43	K	H	H	104.20	5.33	18.50	24.25	94.18	50.66	-69.21	-38.41	16.46	4.07	79.47	7.96	2.96	7.21	72.79	4.50	0.16	3.79	0.63
44	F	H	H	69.61	11.82	15.23	27.47	95.36	50.04	-71.60	-37.00	19.36	3.23	77.41	8.81	3.37	8.76	71.22	4.31	0.14	2.72	0.65
45	A	H	H	47.98	9.64	14.87	25.23	95.72	56.38	-71.31	-31.47	29.74	2.01	68.26	11.23	4.43	15.14	63.22	3.83	0.10	1.46	0.59
46	R	C	T	149.34	3.57	16.28	20.62	98.15	57.14	-79.53	-15.87	56.09	0.91	43.00	5.87	5.32	42.87	41.79	3.18	0.08	0.54	0.35
47	G	C	T	40.44	7.05	16.72	24.26	101.54	14.57	41.78	-1.04	68.92	1.38	29.69	13.74	7.69	45.88	28.75	2.65	0.03	0.81	0.46
48	V	C	C	50.74	13.36	13.46	27.22	111.89	123.69	-86.83	127.63	69.44	8.03	22.53	55.10	7.95	4.86	22.70	2.01	0.01	5.48	1.89
49	R	C	C	117.16	7.89	18.53	26.84	107.65	-151.31	-87.64	111.82	62.96	10.24	26.80	53.72	4.23	3.50	26.91	1.82	0.00	8.35	1.48
50	W	H	H	95.60	13.67	16.67	29.92	99.35	-157.13	-72.59	-32.05	33.10	10.62	56.27	25.80	3.60	3.93	52.69	2.95	0.02	10.09	0.92
51	Q	H	H	78.63	10.46	19.10	29.53	96.13	66.52	-68.49	-38.22	20.21	11.99	67.80	14.29	2.72	3.41	63.23	3.22	0.03	12.43	0.67
52	F	H	H	75.51	11.58	19.40	30.94	94.92	54.43	-68.82	-38.96	12.03	13.69	74.28	8.51	1.64	2.07	69.48	3.17	0.02	14.54	0.57
53	I	H	H	49.44	13.36	19.77	33.01	94.96	53.83	-67.56	-40.61	8.29	12.94	78.76	6.30	1.08	1.19	75.26	2.09	0.01	13.56	0.50
54	V	H	H	40.22	13.73	20.39	33.97	94.55	51.64	-67.04	-40.99	7.01	13.50	79.48	4.95	0.99	1.31	76.76	1.97	0.02	13.54	0.45
55	L	H	H	49.37	13.19	20.82	33.82	94.32	52.22	-66.83	-41.05	7.83	13.34	78.84	4.81	1.13	2.00	76.09	2.27	0.05	13.16	0.49
56	F	H	H	62.51	12.72	21.02	33.59	93.95	51.41	-66.73	-40.70	9.54	12.93	77.54	5.44	1.31	2.79	75.03	2.33	0.05	12.48	0.57
57	I	H	H	47.61	12.30	20.64	33.14	92.92	50.61	-66.38	-41.25	9.36	10.20	80.44	5.11	1.23	3.25	77.06	2.42	0.06	10.38	0.51
58	A	H	H	29.43	12.30	19.31	32.10	92.95	51.92	-66.86	-38.63	13.78	6.88	79.34	6.20	1.51	5.91	75.66	3.05	0.08	7.07	0.52
59	L	H	H	56.31	11.74	18.56	30.58	94.53	52.99	-70.39	-34.32	21.50	4.61	73.88	7.39	2.52	11.63	69.59	3.86	0.16	4.17	0.67
60	Y	H	H	94.29	10.09	17.59	28.09	95.80	58.65	-74.91	-28.47	36.64	3.99	59.37	12.80	5.56	18.82	54.83	4.00	0.15	2.88	0.97
61	N	C	H	74.69	8.00	17.06	25.87	100.08	57.47	-88.50	7.80	55.32	3.68	41.00	23.45	6.61	24.26	38.90	3.34	0.04	2.44	0.95
62	F	C	C	75.46	12.28	11.43	24.31	107.66	123.95	-85.75	95.91	59.66	6.18	34.16	34.71	9.11	15.62	30.71	4.10	0.05	3.98	1.72
63	K	C	C	126.72	4.55	13.95	19.65	106.05	146.02	-86.05	46.14	64.32	5.31	30.37	31.05	11.85	21.41	26.43	4.37	0.07	3.22	1.61
64	N	C	C	94.29	5.26	11.65	18.31	107.87	52.28	-88.94	89.60	73.60	3.04	23.36	35.53	15.62	22.41	19.00	4.63	0.03	1.65	1.12
65	R	C	C	144.67	4.93	10.65	17.20	103.00	-161.73	-81.05	5.88	71.49	2.51	26.00	38.47	15.78	17.20	20.76	5.44	0.02	1.28	1.06
66	D	C	C	102.25	2.99	11.60	15.97	103.76	78.34	-84.95	14.09	68.35	2.02	29.63	37.35	13.89	17.22	23.50	6.12	0.02	1.02	0.87
67	D	C	C	93.97	4.88	11.33	17.67	102.78	74.02	-84.39	14.51	57.59	2.17	40.24	32.95	12.16	13.13	32.26	7.49	0.02	1.18	0.81
68	S	C	H	61.08	6.31	11.71	19.48	106.13	89.75	-86.28	39.01	48.14	3.84	48.02	30.65	8.64	9.74	38.90	8.43	0.03	2.69	0.92
69	H	H	H	105.97	6.57	12.40	20.38	108.39	85.52	-89.27	86.11	36.32	8.79	54.89	22.62	6.88	8.16	43.70	9.95	0.09	7.27	1.33
70	L	H	H	91.29	6.74	12.58	20.77	109.67	-146.39	-87.82	120.33	30.50	13.44	56.07	18.89	5.62	7.27	44.46	10.31	0.12	11.81	1.53
71	L	H	H	90.64	7.17	11.72	20.22	109.81	-146.97	-89.55	112.66	33.76	14.87	51.37	20.77	6.30	8.12	40.68	9.44	0.16	12.67	1.86
72	R	C	H	138.70	4.81	11.84	18.27	111.42	-148.65	-92.47	123.27	43.55	13.21	43.24	26.85	7.65	10.28	35.05	7.34	0.12	10.62	2.10
73	R	C	H	146.77	4.73	10.85	17.26	108.47	-140.81	-84.36	110.43	52.59	8.27	39.14	22.86	9.70	20.92	30.47	7.85	0.18	6.13	1.89
74	G	C	T	48.78	4.00	11.23	16.58	106.14	29.09	-5.44	-3.54	65.59	4.65	29.75	22.75	12.64	30.82	20.57	8.65	0.09	3.05	1.42
75	A	C	C	73.03	4.20	9.73	15.48	104.09	69.36	-81.19	11.13	68.22	7.83	23.94	35.39	12.86	20.80	14.52	8.81	0.07	5.00	2.56
76	Y	C	C	147.81	4.39	8.48	14.51	107.42	90.22	-92.27	78.95	77.95	8.44	13.61	61.04	4.09	12.71	8.67	4.37	0.01	5.43	3.69
77	N	C	C	113.03	3.39	11.32	16.33	107.44	-150.00	-91.09	84.88	99.84	0.11	0.06	99.59	0.15	0.16	0.03	0.01	0.00	0.05	0.02