#	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	107.63	7.55	13.74	22.43	120.97	28.14	-109.76	137.37	99.64	0.35	0.01	99.67	0.06	0.02	0.00	0.00	0.00	0.24	0.01
1	S	C	C	58.48	7.36	13.07	21.76	122.13	-166.46	-106.24	147.04	80.64	19.05	0.30	78.15	0.90	0.80	0.07	0.15	0.00	19.23	0.69
2	K	E	E	123.52	6.09	14.66	22.34	120.69	-147.25	-108.68	136.16	48.35	51.14	0.51	38.20	8.15	1.51	0.10	0.42	0.00	50.62	0.99
3	V	E	E	40.38	14.76	12.71	28.13	123.56	-166.17	-118.20	136.12	23.56	76.18	0.26	20.65	2.04	0.34	0.07	0.17	0.00	76.08	0.66
4	S	E	E	53.27	8.12	18.90	28.00	125.40	-163.69	-118.29	141.65	15.87	83.93	0.20	13.78	1.42	0.24	0.05	0.11	0.00	84.07	0.33
5	F	E	E	46.71	16.91	14.41	31.55	132.52	-175.86	-135.47	148.92	11.68	88.14	0.17	9.98	1.21	0.22	0.04	0.09	0.00	88.26	0.20
6	K	E	E	105.33	6.78	21.25	28.99	120.38	-146.13	-113.14	133.57	9.99	89.87	0.14	8.38	0.95	0.14	0.03	0.06	0.00	90.32	0.10
7	I	E	E	27.65	19.95	15.08	35.22	122.11	-164.74	-117.62	131.89	8.79	91.04	0.17	8.04	0.46	0.08	0.05	0.07	0.00	91.13	0.17
8	T	E	E	51.36	7.81	22.21	30.80	123.70	-169.58	-118.43	139.34	11.44	88.26	0.31	10.69	0.61	0.15	0.11	0.15	0.00	87.71	0.59
9	L	E	E	36.74	17.22	13.26	30.75	112.38	-130.52	-87.45	125.74	32.09	67.14	0.77	27.34	4.00	0.90	0.19	0.55	0.00	65.48	1.53
10	T	C	C	72.15	7.06	16.76	24.62	106.99	-169.91	-94.81	-13.71	79.58	19.31	1.10	38.62	28.45	12.56	0.12	1.08	0.00	18.21	0.96
11	S	C	S	80.33	3.51	15.23	19.54	99.70	33.28	-85.59	-15.10	94.16	5.09	0.75	20.04	56.99	16.93	0.06	0.87	0.00	4.35	0.75
12	D	C	C	67.27	6.88	11.75	20.41	111.12	45.98	-119.03	97.97	96.98	2.78	0.24	69.24	25.78	2.01	0.04	0.24	0.00	1.60	1.08
13	P	C	T	89.45	6.46	10.76	19.27	94.16	-167.81	-66.82	-17.38	98.47	0.84	0.69	12.15	16.05	70.07	0.05	0.89	0.00	0.61	0.19
14	R	C	T	176.47	1.60	15.53	17.09	94.31	64.38	-81.15	-10.76	96.59	2.77	0.64	10.69	18.53	67.27	0.04	0.82	0.00	2.24	0.42
15	L	C	S	54.70	12.13	10.89	24.00	116.05	85.32	-95.33	128.23	92.36	7.48	0.16	35.37	57.40	0.65	0.03	0.13	0.00	4.28	2.13
16	P	C	C	72.51	6.34	18.36	25.62	109.18	-134.81	-71.45	135.55	92.50	7.40	0.10	84.50	7.19	0.66	0.01	0.10	0.00	6.65	0.88
17	Y	E	E	57.40	18.41	13.89	31.74	130.10	90.45	-124.50	147.24	46.34	53.50	0.16	35.99	10.19	0.58	0.04	0.14	0.00	51.34	1.72
18	K	E	E	89.50	10.05	22.24	32.45	122.49	-152.19	-110.92	137.35	11.69	88.20	0.10	10.22	1.28	0.16	0.03	0.06	0.00	87.82	0.45
19	V	E	E	41.33	17.52	18.31	35.43	122.16	-154.31	-113.75	131.97	3.74	96.16	0.10	3.50	0.21	0.04	0.03	0.03	0.00	95.92	0.25
20	L	E	E	27.94	16.99	19.67	36.76	123.52	-168.02	-116.52	139.49	6.68	93.11	0.21	5.42	0.97	0.24	0.06	0.10	0.00	93.01	0.21
21	S	E	E	49.85	10.73	23.89	34.54	118.86	-150.32	-106.36	126.92	17.52	82.31	0.16	12.39	4.48	0.75	0.03	0.14	0.00	81.78	0.43
22	V	C	C	16.58	20.54	14.48	34.98	122.62	-170.45	-118.96	135.12	54.52	45.44	0.05	48.20	5.27	0.14	0.01	0.04	0.00	45.31	1.02
23	P	C	C	45.72	6.89	18.67	27.09	114.37	-106.89	-65.46	147.63	77.46	22.26	0.27	74.11	2.30	0.74	0.07	0.20	0.00	19.88	2.69
24	E	C	T	123.09	7.82	13.31	22.63	92.29	-114.04	-61.62	-27.56	98.07	0.89	1.04	2.39	11.43	84.37	0.11	0.88	0.00	0.62	0.20
25	S	C	T	96.84	0.74	17.36	16.12	93.22	57.89	-84.47	-4.13	98.10	0.90	1.00	2.97	11.44	83.73	0.10	0.91	0.00	0.71	0.15
26	T	C	S	30.85	15.56	9.37	25.09	115.77	104.75	-80.62	135.23	95.29	3.99	0.72	39.64	55.79	0.68	0.33	0.30	0.00	1.95	1.32
27	P	C	C	73.43	4.10	20.41	24.54	110.15	-110.62	-66.80	137.94	80.49	16.98	2.53	76.04	2.68	0.93	2.05	0.51	0.00	5.22	12.57
28	F	C	C	53.37	19.69	12.69	31.28	94.65	-139.29	-67.90	-24.21	53.33	6.90	39.77	42.69	6.53	4.96	35.29	4.26	0.03	4.16	2.08
29	T	H	H	69.73	7.22	19.32	27.42	92.10	75.46	-63.47	-38.15	24.69	8.84	66.46	17.39	4.33	4.87	56.38	7.81	0.08	8.13	1.00
30	A	H	H	42.20	6.10	20.32	27.40	91.90	52.27	-65.06	-39.43	12.14	12.30	75.56	7.72	2.50	3.31	63.65	9.16	0.08	12.88	0.70
31	V	H	H	15.11	19.18	17.37	36.58	92.21	50.75	-65.63	-42.06	8.86	15.75	75.39	5.60	1.65	2.36	65.61	7.70	0.05	16.46	0.58
32	L	H	H	34.51	17.23	18.33	35.07	92.10	51.66	-64.24	-41.07	9.89	20.70	69.41	5.95	1.60	2.55	63.41	5.03	0.06	20.59	0.81
33	K	H	H	113.03	4.72	21.88	27.10	92.07	51.99	-65.06	-40.25	15.81	20.02	64.17	8.72	2.30	4.40	59.37	3.90	0.11	20.16	1.05
34	F	H	H	73.16	8.67	20.07	29.53	93.18	49.70	-67.60	-38.51	20.64	13.94	65.42	11.16	2.97	6.40	60.38	4.00	0.15	13.87	1.07
35	A	H	H	16.66	17.22	16.23	33.60	93.40	54.70	-66.53	-35.13	26.07	9.39	64.54	14.52	3.70	8.21	58.85	4.78	0.12	8.74	1.08
36	A	H	H	36.16	12.79	15.74	28.97	94.09	57.96	-69.94	-22.51	32.10	10.55	57.35	16.29	5.07	11.17	48.40	8.26	0.18	9.12	1.51
37	E	H	H	124.35	3.68	18.04	22.51	95.15	64.43	-72.62	-26.35	43.10	11.13	45.76	14.67	8.85	19.58	35.80	9.88	0.38	9.23	1.61
38	E	C	H	109.44	6.42	16.31	23.44	100.73	47.15	-91.11	-9.92	49.45	15.00	35.54	18.16	8.94	22.47	26.13	9.91	0.35	11.91	2.13
39	F	C	C	59.95	16.59	9.91	25.60	115.69	87.13	-98.65	122.98	72.22	17.65	10.14	48.18	16.26	7.31	7.91	3.20	0.03	13.74	3.37
40	K	C	C	158.99	1.65	18.50	20.00	106.20	-153.79	-89.73	88.09	74.70	21.67	3.63	54.00	13.92	5.85	2.36	1.59	0.01	16.12	6.14
41	V	C	C	47.05	14.47	8.59	22.88	121.89	154.40	-104.85	140.55	87.25	12.45	0.30	54.67	32.85	0.62	0.18	0.14	0.00	8.03	3.51
42	P	C	C	76.38	3.15	15.86	19.57	114.11	-103.80	-65.03	149.74	96.83	2.27	0.90	92.57	3.07	1.46	0.33	0.42	0.00	1.46	0.70
43	A	C	T	78.92	5.40	11.35	18.57	94.36	-107.97	-61.42	-29.87	73.29	0.49	26.22	4.43	8.27	59.80	5.59	21.27	0.01	0.27	0.38
44	A	C	T	81.62	2.82	14.09	17.82	95.48	59.59	-75.48	-12.50	71.02	1.29	27.69	5.36	8.12	56.39	6.21	22.43	0.03	0.79	0.68
45	T	C	C	64.15	8.99	13.68	23.69	106.90	66.96	-97.04	25.99	57.95	9.17	32.89	27.67	17.67	14.46	8.43	22.85	0.08	5.02	3.82
46	S	C	C	48.12	11.18	15.46	27.11	112.51	113.94	-95.80	126.69	69.52	13.71	16.78	49.71	10.61	8.93	8.83	8.21	0.03	9.70	3.97
47	A	C	C	38.41	13.87	15.79	29.78	117.84	-156.42	-96.83	135.19	61.44	22.73	15.83	39.27	16.41	6.72	9.62	6.05	0.07	18.97	2.90
48	I	E	E	70.22	11.58	18.43	30.15	108.53	-143.45	-98.07	67.13	36.31	48.42	15.26	22.57	11.52	5.01	10.77	5.00	0.21	39.62	5.30
49	I	E	E	70.66	11.60	16.28	28.41	116.29	50.29	-105.41	123.26	25.59	61.81	12.60	17.54	5.85	3.79	9.15	4.24	0.15	51.10	8.16
50	T	E	E	42.15	10.55	14.16	25.87	130.11	54.48	-120.87	167.92	44.56	48.05	7.39	31.39	8.97	5.36	4.99	2.76	0.11	40.37	6.05
51	N	C	T	119.85	3.76	15.21	20.35	94.35	-94.90	-67.22	-18.17	92.13	4.84	3.03	7.02	17.90	67.18	1.30	1.68	0.01	4.08	0.84
52	D	C	T	99.40	3.63	15.46	19.97	97.15	49.72	-92.78	1.88	96.24	1.76	2.00	5.97	19.26	71.07	0.49	1.45	0.00	1.44	0.32
53	G	C	S	28.36	9.64	14.89	25.48	111.15	-94.85	102.40	5.81	62.30	36.26	1.45	17.30	31.26	16.44	0.31	1.22	0.02	29.20	4.25
54	I	E	E	78.31	9.57	16.29	26.70	119.86	129.33	-102.33	135.99	48.79	50.09	1.12	27.15	16.58	7.45	0.35	0.99	0.02	40.22	7.23
55	G	C	E	28.39	10.61	18.56	29.39	122.03	28.54	93.01	14.89	55.76	43.34	0.90	25.40	25.96	7.52	0.20	0.82	0.01	36.65	3.44
56	I	E	C	56.60	15.08	13.79	28.91	119.34	-93.14	-101.52	133.17	47.26	52.32	0.42	34.08	11.80	0.87	0.22	0.27	0.01	31.95	20.80
57	N	C	C	69.50	7.13	17.33	25.67	110.95	-140.66	-92.88	118.17	96.43	3.46	0.12	93.00	3.41	0.31	0.03	0.09	0.00	2.46	0.70
58	P	C	T	81.38	9.30	12.20	22.84	91.73	-139.02	-61.95	-23.53	83.65	1.08	15.28	7.25	7.17	67.72	1.22	15.54	0.00	0.74	0.34
59	A	C	T	91.19	1.24	16.49	17.01	92.75	61.01	-82.08	-8.85	82.28	1.50	16.22	6.07	7.61	67.17	1.51	16.12	0.00	1.08	0.44
60	Q	C	C	74.81	10.85	10.76	22.53	113.68	96.78	-82.93	129.89	79.28	4.88	15.84	52.61	19.08	6.69	2.43	14.35	0.00	2.59	2.26
61	T	C	C	92.27	5.02	14.74	21.44	112.17	-155.13	-102.41	129.85	81.33	13.01	5.66	63.21	10.41	6.75	2.14	3.71	0.00	7.18	6.59
62	A	C	C	55.53	10.25	13.97	24.79	113.87	-144.41	-94.64	136.34	76.94	18.40	4.65	35.67	24.94	17.98	1.18	3.37	0.02	13.30	3.53
63	G	C	S	32.27	6.49	18.19	25.66	128.63	43.39	136.21	-171.49	70.32	27.21	2.47	20.10	34.80	16.34	0.37	1.99	0.01	24.83	1.56
64	N	C	E	89.30	7.22	17.83	26.04	120.30	-50.33	-102.75	135.51	49.50	48.46	2.04	35.28	10.11	4.37	0.40	1.61	0.00	46.90	1.32
65	V	E	E	35.04	15.82	13.99	30.36	122.38	-164.36	-117.80	132.97	21.87	77.07	1.06	18.06	3.46	0.93	0.41	0.58	0.00	74.71	1.85
66	F	E	E	100.58	6.83	17.45	25.58	116.17	-152.50	-105.45	125.39	13.32	85.73	0.95	11.44	1.45	0.51	0.66	0.42	0.00	80.45	5.07
67	L	C	C	51.34	13.18	11.30	24.95	119.47	-154.11	-89.72	154.24	52.93	44.75	2.31	46.58	3.87	1.67	0.68	1.45	0.00	43.40	2.35
68	K	C	T	141.89	3.78	13.77	18.77	95.31	-110.42	-66.50	-24.48	76.41	16.75	6.84	6.92	12.89	57.44	0.69	6.02	0.01	14.57	1.45
69	H	C	T	132.78	3.37	12.76	17.11	96.34	48.95	-88.22	6.31	91.93	1.56	6.51	3.13	10.96	77.41	0.53	6.46	0.00	1.16	0.34
70	G	C	S	48.36	3.44	14.08	18.50	99.69	-94.61	91.77	3.63	90.53	4.63	4.84	12.91	41.31	36.27	0.30	4.89	0.00	3.53	0.78
71	S	C	C	39.25	9.22	11.60	22.63	121.78	130.71	-83.03	153.62	71.01	28.59	0.40	60.70	6.56	1.93	0.08	0.33	0.00	29.22	1.18
72	E	E	E	106.35	5.83	17.46	24.66	120.41	-133.10	-106.59	137.06	19.37	80.31	0.32	16.70	2.19	0.45	0.12	0.21	0.00	75.95	4.39
73	L	E	E	39.03	18.17	12.98	30.83	125.38	-165.34	-119.24	139.64	19.59	80.18	0.24	18.28	1.05	0.19	0.06	0.12	0.00	79.76	0.54
74	R	E	E	118.39	6.66	21.54	29.07	122.55	-158.15	-113.33	136.11	19.30	80.41	0.29	17.87	1.05	0.19	0.10	0.13	0.00	79.66	1.00
75	I	E	E	51.68	16.46	15.48	31.95	115.61	-137.08	-96.54	127.80	31.38	68.36	0.26	28.15	2.83	0.28	0.09	0.14	0.00	66.80	1.69
76	I	E	E	46.95	11.41	16.29	29.26	117.32	-163.62	-110.43	125.35	49.25	50.62	0.13	44.41	3.75	0.21	0.04	0.08	0.00	50.40	1.10
77	P	C	C	54.31	7.01	15.96	24.65	111.89	-115.82	-66.27	143.71	56.06	42.46	1.49	51.70	3.18	0.80	0.50	0.95	0.00	40.38	2.49
78	R	H	G	134.83	8.39	11.31	20.85	94.27	-124.17	-63.30	-29.03	41.90	4.30	53.80	19.41	9.53	14.40	8.11	44.67	0.01	3.04	0.83
79	D	H	G	124.53	0.90	14.47	14.54	93.50	63.71	-74.97	-10.07	41.34	4.34	54.31	13.72	10.22	19.20	9.72	43.11	0.06	2.96	1.01
80	R	H	G	130.24	5.88	10.91	18.32	100.54	60.08	-97.98	5.05	38.75	7.58	53.66	19.66	8.57	12.95	9.51	42.26	0.03	5.65	1.37
81	V	C	C	81.03	8.71	8.21	17.98	115.90	104.65	-88.58	131.90	63.68	18.89	17.44	32.67	13.00	19.52	9.96	6.91	0.26	11.75	5.94
82	G	C	C	54.87	2.37	11.98	15.37	118.08	77.30	83.15	170.92	77.02	16.38	6.60	31.12	16.75	30.92	2.82	3.39	0.04	12.35	2.61
83	S	C	C	86.29	2.37	10.35	14.54	117.99	-106.34	-111.08	144.48	82.39	14.09	3.52	66.06	5.79	10.00	1.48	1.89	0.00	11.29	3.49
84	C	C	C	88.57	5.46	11.30	18.50	117.92	-148.34	-110.11	137.54	98.59	1.39	0.02	98.67	0.15	0.06	0.01	0.00	0.00	0.87	0.24