#	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	108.88	6.67	13.82	21.85	116.07	-158.46	-94.41	131.51	99.56	0.44	0.01	99.60	0.07	0.02	0.00	0.00	0.00	0.29	0.02
1	S	C	C	70.50	6.23	11.65	19.59	119.17	-151.82	-98.69	140.74	75.16	23.40	1.44	71.68	1.28	1.86	0.40	0.65	0.00	22.85	1.27
2	H	C	E	104.51	8.41	12.15	21.68	115.80	-165.88	-110.76	129.82	50.19	47.74	2.07	34.02	12.90	3.81	0.56	1.41	0.00	46.21	1.10
3	S	E	E	60.18	7.85	15.92	24.90	125.00	-154.03	-114.68	144.25	31.70	66.25	2.05	25.21	5.34	1.25	0.73	1.08	0.00	65.76	0.65
4	V	E	E	38.50	17.34	13.91	31.15	122.68	-159.96	-117.29	132.47	13.52	84.80	1.68	12.15	1.06	0.30	1.27	0.42	0.00	84.27	0.53
5	K	E	E	110.22	6.84	21.59	29.31	118.11	-152.20	-101.62	130.17	10.62	87.97	1.41	9.73	0.66	0.24	1.05	0.33	0.00	87.43	0.56
6	V	E	E	25.63	19.15	14.37	33.48	116.93	-161.96	-107.22	124.70	27.99	69.44	2.57	25.94	1.62	0.56	1.32	0.95	0.00	68.51	1.11
7	Y	C	C	89.73	10.44	18.62	29.53	111.64	-165.68	-96.29	139.36	59.67	33.75	6.58	32.89	19.52	8.52	1.55	4.63	0.01	31.59	1.29
8	D	C	S	93.83	6.40	20.91	27.56	102.24	-52.54	-75.71	-7.08	75.78	16.94	7.28	15.81	39.56	21.90	1.20	5.29	0.04	14.70	1.51
9	T	C	C	64.42	9.87	20.60	30.40	109.88	53.03	-105.08	79.15	77.81	14.03	8.17	41.05	19.24	18.38	1.66	6.56	0.02	10.98	2.11
10	C	C	C	14.91	22.32	14.58	36.17	114.52	138.51	-96.52	124.98	80.77	17.20	2.03	69.06	7.21	3.42	0.69	1.45	0.00	11.05	7.11
11	I	C	T	63.23	12.04	22.34	34.30	111.17	-147.55	-89.93	121.73	81.80	16.08	2.13	21.83	19.77	41.63	0.66	1.43	0.02	10.49	4.16
12	G	C	T	34.81	9.42	22.74	32.28	96.74	3.36	78.38	7.77	93.15	5.45	1.40	17.26	33.56	42.73	0.33	1.04	0.00	3.95	1.13
13	C	C	C	15.09	21.19	14.22	34.84	105.72	127.19	-97.07	72.53	95.53	1.89	2.58	87.64	6.92	0.96	2.03	0.46	0.00	0.66	1.33
14	T	H	H	73.95	6.91	21.65	29.28	94.38	-162.04	-65.57	-36.51	25.09	0.43	74.49	10.09	11.28	5.44	71.79	0.95	0.04	0.09	0.32
15	Q	H	H	86.47	6.60	23.68	30.41	92.46	52.94	-66.66	-40.02	8.74	0.46	90.80	3.84	2.38	3.44	88.26	1.62	0.05	0.23	0.19
16	C	H	H	4.68	23.95	16.82	40.83	92.08	50.96	-65.01	-42.58	2.28	0.49	97.22	0.96	0.46	1.27	94.38	2.40	0.03	0.40	0.10
17	V	H	H	27.06	19.09	18.58	36.94	91.66	51.64	-63.89	-39.39	1.94	0.54	97.52	0.69	0.28	1.19	94.77	2.44	0.03	0.52	0.08
18	R	H	H	156.66	2.61	23.99	26.63	91.53	53.85	-66.92	-32.43	7.45	0.43	92.11	1.34	0.46	5.98	89.83	1.82	0.09	0.34	0.15
19	A	H	H	36.77	12.15	19.27	31.85	94.01	51.35	-82.02	-17.95	23.48	0.33	76.19	1.15	1.74	20.62	75.28	0.75	0.13	0.10	0.22
20	C	C	C	7.60	24.68	10.67	34.80	111.79	91.95	-89.35	120.56	96.80	2.08	1.12	61.55	33.98	1.27	1.08	0.15	0.00	1.04	0.94
21	P	C	C	89.77	4.12	21.51	26.30	93.72	-159.19	-68.80	-16.85	91.30	1.97	6.73	35.37	23.21	32.69	2.59	4.12	0.00	1.35	0.67
22	C	C	T	50.07	11.38	17.60	29.41	102.52	54.75	-95.61	-1.76	86.27	2.78	10.94	10.09	35.35	41.38	4.62	5.75	0.03	1.85	0.95
23	D	C	C	82.44	9.59	21.57	31.19	97.29	-112.96	51.88	57.30	80.53	8.56	10.91	45.58	18.90	16.10	3.75	7.33	0.01	7.14	1.18
24	V	C	C	14.92	20.49	18.86	39.12	98.30	150.97	-90.41	-23.94	63.77	26.47	9.76	41.04	17.64	5.45	4.53	4.89	0.02	25.01	1.41
25	L	E	E	8.79	24.40	17.07	41.46	127.08	44.88	-124.61	137.06	28.74	63.49	7.77	21.14	6.20	2.78	4.08	3.12	0.01	61.58	1.09
26	E	E	E	81.50	8.64	26.01	35.15	127.45	-170.05	-122.18	142.12	14.76	80.30	4.94	11.90	1.97	1.11	2.51	1.67	0.00	80.34	0.49
27	M	E	E	51.30	18.63	17.06	35.11	116.29	-132.83	-92.99	130.46	13.10	82.88	4.01	10.92	1.61	0.85	2.45	1.35	0.00	81.96	0.86
28	V	E	E	34.61	12.71	16.74	30.89	123.45	-166.79	-115.35	136.77	25.41	72.14	2.45	21.75	2.80	0.98	1.32	0.97	0.00	70.87	1.30
29	S	C	C	59.20	6.08	18.84	25.61	111.59	-114.76	-72.87	137.44	53.37	44.27	2.36	45.32	4.73	1.86	0.80	1.23	0.00	45.08	0.98
30	W	C	C	100.48	14.33	10.79	24.72	101.90	-145.86	-86.84	6.49	64.90	18.13	16.96	25.68	16.56	25.00	4.69	11.18	0.11	14.05	2.74
31	D	C	T	113.21	2.25	15.10	17.85	100.79	54.59	-85.07	35.04	77.02	5.15	17.83	11.47	16.99	48.73	4.50	13.00	0.05	3.55	1.72
32	G	C	T	52.89	3.18	14.03	18.21	101.00	-73.26	84.82	1.08	79.96	3.59	16.45	16.92	23.11	40.77	4.03	11.70	0.02	2.18	1.27
33	C	C	C	48.37	12.12	8.72	21.05	116.90	122.28	-92.61	143.86	73.67	13.77	12.55	45.67	16.10	11.78	5.97	6.81	0.04	8.07	5.55
34	K	C	T	142.31	2.50	15.70	18.84	111.83	-132.17	-86.08	137.17	60.74	17.49	21.77	23.52	15.42	23.79	7.89	12.76	0.37	10.91	5.34
35	A	C	T	67.58	7.69	13.21	21.97	108.47	-82.70	-67.72	127.07	71.53	7.34	21.13	11.30	13.41	46.82	6.77	13.99	0.12	5.37	2.22
36	G	C	T	41.17	7.71	16.13	24.49	100.30	18.79	84.16	-2.42	71.94	11.41	16.64	19.87	15.37	38.24	4.79	10.66	0.06	9.21	1.79
37	Q	C	C	92.67	7.55	17.89	26.17	111.56	118.95	-92.72	122.91	57.84	32.23	9.93	40.01	10.25	7.73	5.14	5.19	0.06	27.63	3.98
38	I	E	E	45.41	17.94	13.13	30.14	115.12	-146.00	-94.54	127.17	30.02	63.16	6.82	22.39	4.58	2.76	5.41	2.79	0.04	49.23	12.79
39	A	C	E	51.95	9.84	18.57	28.61	106.95	-163.13	-85.77	-24.38	47.51	44.29	8.19	27.14	12.95	10.47	3.94	4.17	0.04	39.35	1.95
40	S	C	C	60.41	7.62	20.31	28.41	124.21	-9.74	-125.51	144.86	59.32	34.23	6.45	29.64	20.62	12.08	2.50	3.78	0.04	28.93	2.42
41	A	C	C	35.58	16.50	15.03	31.06	121.07	-136.10	-99.65	140.20	86.25	12.68	1.06	65.36	19.85	1.07	0.62	0.51	0.00	11.28	1.30
42	P	C	C	46.28	12.79	16.37	29.74	112.74	-106.47	-67.04	150.01	81.88	10.82	7.29	66.39	9.14	5.95	3.02	4.35	0.00	8.82	2.32
43	R	C	C	120.90	8.21	18.03	26.83	110.88	-116.18	-84.06	129.87	76.44	13.44	10.13	58.69	10.27	6.40	4.44	6.20	0.01	7.89	6.10
44	T	C	C	53.57	15.03	13.18	27.59	105.14	-157.43	-88.35	-13.35	57.88	7.90	34.22	39.40	10.44	8.93	6.53	27.43	0.01	5.26	2.02
45	E	C	G	134.75	3.44	18.12	22.32	95.83	73.26	-74.47	-19.74	47.29	7.17	45.54	16.73	12.70	21.08	7.55	35.16	0.06	5.21	1.51
46	D	C	G	85.21	6.75	18.48	25.85	100.84	50.72	-94.04	16.05	46.97	8.82	44.21	18.77	11.14	20.12	6.80	34.83	0.07	6.68	1.60
47	C	C	C	19.52	21.17	11.96	32.22	112.77	130.18	-87.28	122.44	62.25	19.39	18.36	48.22	7.73	6.35	5.62	12.84	0.02	14.97	4.25
48	I	C	T	71.48	9.52	21.71	31.60	117.23	-162.45	-102.64	132.74	58.97	32.11	8.92	24.05	13.05	24.63	4.57	4.39	0.26	22.32	6.74
49	G	C	T	28.70	10.02	21.46	31.74	101.80	9.10	84.52	3.48	74.78	17.98	7.24	22.26	22.13	32.33	2.91	3.96	0.09	12.81	3.51
50	C	C	C	15.97	20.99	13.30	33.60	100.59	139.18	-79.28	22.99	91.33	3.87	4.79	85.66	4.07	1.86	3.47	1.23	0.00	2.25	1.46
51	K	H	H	128.43	3.70	21.28	25.83	93.32	114.11	-61.84	-38.75	48.92	1.40	49.68	12.94	12.36	24.07	45.01	4.12	0.17	0.70	0.63
52	R	H	H	115.29	6.01	21.39	27.74	92.50	52.35	-67.07	-36.41	31.37	1.04	67.60	6.22	6.86	19.90	61.08	4.62	0.28	0.62	0.42
53	C	H	H	6.12	23.35	13.67	36.88	92.24	53.67	-65.80	-39.95	11.54	0.99	87.48	5.54	2.07	4.84	78.70	7.77	0.05	0.82	0.21
54	E	H	H	81.14	13.03	17.89	30.55	91.82	56.32	-63.82	-35.47	8.44	1.09	90.46	3.05	1.32	4.51	80.96	8.87	0.08	1.04	0.18
55	T	H	H	100.04	1.58	22.09	22.20	92.92	51.24	-71.77	-29.67	12.38	0.78	86.84	2.57	1.64	8.55	79.76	6.52	0.14	0.65	0.18
56	A	H	H	36.07	12.00	16.86	29.42	96.09	46.17	-84.42	-25.17	22.85	0.77	76.38	2.99	4.51	16.92	71.60	2.85	0.34	0.34	0.44
57	C	C	C	12.91	20.88	10.20	30.37	112.80	45.55	-116.52	104.40	98.47	0.92	0.62	62.99	34.41	1.04	0.48	0.13	0.00	0.28	0.66
58	P	C	T	92.53	3.65	17.48	22.10	94.03	-165.47	-66.48	-20.10	90.07	0.99	8.94	23.34	16.85	49.96	4.42	4.42	0.00	0.67	0.35
59	T	C	T	78.18	5.23	16.14	22.31	99.23	50.19	-93.31	-3.94	84.48	1.99	13.53	8.21	24.14	52.62	7.01	5.83	0.03	1.60	0.57
60	D	C	C	92.11	7.91	17.14	25.88	97.65	-118.48	50.83	42.89	80.44	5.88	13.68	42.13	20.58	17.74	6.81	7.05	0.01	4.39	1.29
61	F	C	C	59.14	14.04	16.13	30.47	98.93	144.41	-91.80	-16.03	68.86	17.09	14.05	47.88	13.93	6.82	9.23	4.78	0.01	15.70	1.66
62	L	E	E	31.83	20.34	14.02	33.51	121.48	64.39	-112.56	129.71	36.34	50.14	13.52	26.42	6.95	4.15	9.09	4.12	0.05	47.26	1.96
63	S	E	E	52.38	7.34	22.15	30.10	126.41	-173.51	-123.46	140.60	24.24	65.70	10.07	19.31	3.03	1.93	6.69	2.68	0.01	65.55	0.80
64	V	E	E	46.07	18.56	13.86	31.67	122.45	-159.09	-117.82	130.20	20.78	70.97	8.25	17.17	1.90	0.96	6.37	1.40	0.00	71.68	0.52
65	R	E	E	124.97	5.70	18.65	25.65	120.87	-167.91	-115.20	131.85	16.64	75.92	7.43	13.57	1.52	0.88	5.95	1.29	0.00	76.36	0.44
66	V	E	E	59.23	12.58	12.89	26.20	119.48	-157.39	-110.22	129.01	19.62	72.95	7.43	16.21	1.80	1.09	5.72	1.52	0.00	73.05	0.60
67	Y	E	E	118.11	6.45	13.67	21.76	117.31	-161.28	-106.72	125.33	32.75	59.93	7.32	26.06	4.15	2.41	5.48	1.96	0.00	58.69	1.24
68	L	C	E	102.03	5.88	10.83	18.43	114.61	-159.79	-103.01	124.28	52.70	39.24	8.06	23.87	13.06	17.51	4.96	2.98	0.02	36.04	1.56
69	G	C	T	57.95	2.21	12.06	15.06	107.63	-15.05	82.51	13.89	81.14	13.13	5.73	20.20	22.94	37.73	3.61	2.30	0.00	12.24	0.96
70	G	C	S	56.10	2.54	11.06	14.85	113.23	-3.64	89.18	50.66	85.20	9.64	5.16	30.11	30.21	25.00	2.54	2.76	0.00	8.36	1.03
71	E	C	C	135.03	3.35	10.31	15.39	117.90	96.48	-98.09	139.34	73.83	18.82	7.34	46.73	19.52	7.60	4.31	3.16	0.01	16.18	2.50
72	T	C	C	94.51	4.00	10.16	16.15	120.39	-154.43	-107.93	138.56	67.73	23.75	8.52	50.68	11.28	5.53	5.00	3.53	0.01	21.11	2.85
73	T	C	C	88.23	5.49	9.84	17.16	118.82	-159.02	-109.75	137.02	61.98	26.14	11.88	45.32	10.41	6.24	6.68	5.12	0.02	23.27	2.92
74	R	C	C	155.31	3.82	10.93	16.57	117.87	-157.93	-106.19	136.49	59.37	25.20	15.43	37.96	12.36	9.45	8.22	6.90	0.06	22.61	2.44
75	S	C	C	77.01	4.33	10.23	16.30	117.86	-144.94	-100.83	139.49	62.99	21.17	15.84	40.33	11.43	11.37	7.77	7.74	0.03	19.06	2.27
76	M	C	C	126.74	4.38	9.71	15.62	109.54	-154.97	-96.88	100.37	65.82	17.14	17.05	33.87	14.24	18.64	7.85	8.73	0.06	14.10	2.50
77	G	C	C	49.56	3.82	10.53	15.82	115.09	-112.97	93.89	171.74	69.20	17.03	13.77	32.00	17.54	21.38	5.10	7.83	0.06	13.77	2.30
78	L	C	C	118.11	3.76	8.77	14.20	113.49	-110.44	-92.37	124.92	64.61	20.00	15.40	39.35	12.79	13.65	6.06	8.96	0.06	15.69	3.44
79	A	C	C	78.27	3.53	8.68	14.04	113.83	-153.05	-94.16	130.20	76.25	14.42	9.33	63.36	3.56	9.50	4.72	3.84	0.00	11.76	3.25
80	Y	C	C	149.88	5.33	10.80	17.59	113.21	-143.97	-95.58	127.83	99.49	0.43	0.07	99.40	0.14	0.10	0.04	0.01	0.00	0.27	0.04