#	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	81.57	11.51	15.31	27.10	117.90	-161.95	-100.10	131.74	99.64	0.31	0.05	99.58	0.13	0.05	0.02	0.01	0.00	0.17	0.04
1	V	C	C	82.30	7.30	15.13	23.65	116.83	-150.99	-100.90	130.71	79.06	11.89	9.04	75.70	1.36	2.20	8.50	0.99	0.00	6.42	4.81
2	L	C	C	63.84	11.98	12.01	24.66	112.08	-144.02	-87.67	130.88	71.04	7.61	21.35	51.67	9.84	8.30	20.72	2.44	0.04	4.68	2.31
3	G	C	C	27.37	8.92	15.39	25.18	111.82	-140.79	-75.27	-135.84	66.04	2.67	31.29	46.08	10.66	7.86	30.84	2.28	0.01	1.35	0.93
4	E	H	H	106.78	7.18	14.23	22.46	94.62	-70.66	-64.95	-36.08	11.73	0.59	87.68	5.61	2.37	4.85	79.83	6.72	0.03	0.45	0.15
5	V	H	H	91.16	2.53	16.45	18.99	93.05	53.18	-66.78	-38.85	6.95	0.46	92.59	2.43	1.12	3.69	84.13	8.10	0.03	0.41	0.08
6	Y	H	H	82.50	9.42	14.65	25.20	93.31	49.87	-68.47	-37.94	6.74	0.47	92.79	2.17	1.03	3.69	83.65	8.93	0.03	0.41	0.09
7	L	H	H	34.20	15.77	12.60	28.43	94.10	51.25	-69.47	-35.46	9.94	0.55	89.51	3.36	1.68	5.48	81.80	7.07	0.06	0.40	0.15
8	K	H	H	111.48	5.41	16.38	22.92	92.98	58.57	-64.45	-37.17	14.08	0.59	85.33	3.44	1.87	9.15	76.05	8.78	0.11	0.41	0.18
9	D	H	H	87.35	4.00	17.09	21.69	93.74	52.98	-72.92	-24.20	22.19	0.53	77.28	3.38	2.17	16.52	68.76	8.50	0.11	0.38	0.17
10	I	H	H	56.00	13.42	13.76	27.21	96.39	54.93	-78.92	-25.49	29.91	1.21	68.88	5.81	4.28	20.33	61.27	6.88	0.18	0.83	0.42
11	L	C	H	74.91	11.23	13.61	25.21	99.09	57.03	-85.98	-5.16	51.18	5.24	43.58	20.25	13.00	20.74	36.09	4.54	0.35	2.23	2.79
12	R	C	C	138.74	4.05	14.98	20.44	115.15	93.89	-89.61	137.43	91.84	3.84	4.32	47.95	39.81	3.98	3.62	0.91	0.00	1.45	2.28
13	T	C	C	93.37	3.84	14.43	19.79	115.15	-95.95	-80.72	140.80	98.54	1.18	0.28	82.62	15.34	0.63	0.13	0.11	0.00	0.49	0.69
14	P	C	C	63.47	11.04	10.02	21.86	116.06	-106.06	-66.12	148.75	99.25	0.45	0.30	94.38	4.19	0.69	0.10	0.14	0.00	0.19	0.29
15	P	C	C	80.65	6.10	11.88	19.66	111.03	-102.23	-66.65	146.69	93.56	1.10	5.34	78.00	6.36	8.50	1.06	4.79	0.00	0.53	0.77
16	T	C	C	108.92	2.39	11.17	15.06	106.86	-135.15	-88.31	81.45	84.68	2.81	12.51	34.66	20.86	29.00	1.59	11.08	0.00	1.31	1.50
17	G	C	C	51.89	2.46	12.66	16.24	120.38	32.48	126.15	-177.32	84.74	2.84	12.42	32.02	24.74	27.70	1.27	11.62	0.00	1.46	1.20
18	A	C	C	83.00	3.04	12.90	17.35	112.91	-51.92	-81.69	137.82	87.69	4.81	7.50	63.79	15.09	7.44	1.42	7.22	0.00	2.45	2.60
19	I	C	C	70.82	13.17	8.07	20.94	116.67	-120.50	-88.24	135.68	95.22	4.20	0.57	69.49	25.07	0.71	0.24	0.28	0.00	1.59	2.61
20	P	C	C	68.95	5.22	12.52	19.59	114.74	-106.07	-65.44	150.93	97.54	1.29	1.16	93.21	2.83	1.67	0.32	0.67	0.00	0.64	0.65
21	A	C	T	89.59	2.17	12.30	15.69	106.80	-102.88	-66.70	141.87	96.36	1.26	2.38	22.80	28.01	45.54	0.39	2.02	0.00	0.62	0.62
22	N	C	T	122.79	2.62	12.26	16.13	102.84	14.20	-80.70	53.69	96.43	1.65	1.92	27.19	24.69	44.51	0.28	1.79	0.00	0.82	0.72
23	V	C	C	63.07	9.24	9.27	19.93	116.61	160.30	-91.17	134.93	97.03	2.19	0.78	76.67	18.91	1.40	0.21	0.56	0.00	0.94	1.31
24	P	C	C	89.06	4.10	14.16	19.60	111.76	-108.99	-68.35	143.99	97.11	1.99	0.90	85.65	9.53	1.71	0.32	0.54	0.00	0.78	1.48
25	H	C	C	82.63	10.62	10.15	21.57	116.67	-126.81	-97.71	131.77	96.03	2.11	1.85	81.22	12.51	1.98	0.70	1.06	0.00	0.77	1.76
26	P	C	T	84.25	5.47	14.26	20.95	97.98	-125.44	-66.27	-20.78	83.71	1.09	15.21	23.77	13.59	46.12	3.45	11.90	0.00	0.53	0.62
27	F	C	T	111.03	8.04	12.84	21.78	102.25	50.75	-89.85	10.88	79.35	2.37	18.29	20.60	13.29	45.57	4.89	13.13	0.03	1.18	1.31
28	Q	C	C	84.63	9.66	12.84	23.22	106.05	93.75	-86.32	78.01	73.91	5.00	21.10	43.51	14.88	15.63	7.16	13.73	0.02	2.48	2.59
29	T	C	C	83.70	5.88	16.23	22.89	103.76	118.75	-92.60	-9.89	77.53	5.08	17.39	38.61	26.25	13.28	10.26	6.63	0.04	2.51	2.44
30	S	C	C	42.79	7.51	17.96	26.40	125.11	28.75	-117.11	155.11	79.22	6.41	14.37	54.73	20.11	4.37	11.73	2.77	0.02	2.40	3.88
31	F	H	H	57.92	16.89	15.30	31.77	93.89	-118.56	-63.28	-35.93	6.76	0.23	93.01	3.20	1.53	2.71	90.88	1.44	0.03	0.12	0.08
32	Y	H	H	94.38	11.66	18.73	30.38	92.47	56.28	-64.35	-40.11	3.16	0.19	96.65	0.96	0.47	1.92	94.62	1.82	0.03	0.15	0.03
33	T	H	H	52.17	5.68	20.25	26.81	92.45	50.63	-65.34	-41.56	2.39	0.32	97.29	0.82	0.38	1.45	94.72	2.26	0.03	0.28	0.05
34	Y	H	H	45.81	11.64	18.13	31.06	92.52	49.94	-65.40	-41.93	2.58	0.42	96.99	1.01	0.44	1.46	94.78	1.86	0.03	0.35	0.06
35	A	H	H	13.44	17.00	15.90	33.44	92.55	50.53	-65.45	-40.75	5.14	0.59	94.27	1.81	0.80	3.14	91.94	1.69	0.07	0.42	0.13
36	T	H	H	56.53	9.42	17.94	28.05	93.08	49.42	-68.35	-37.45	9.67	0.55	89.77	2.32	1.35	6.81	86.81	2.04	0.15	0.32	0.20
37	K	H	H	117.23	4.46	18.96	23.86	96.22	45.72	-76.56	-35.27	18.92	0.43	80.65	2.11	2.14	15.45	76.57	2.99	0.30	0.21	0.23
38	K	H	H	98.30	7.38	18.04	25.98	101.89	35.28	-90.11	-32.78	39.72	0.42	59.86	2.69	3.66	32.90	56.98	3.13	0.20	0.19	0.26
39	L	C	H	39.67	14.32	15.03	29.55	100.92	39.01	-89.40	-36.63	54.01	1.21	44.78	7.45	9.65	36.94	40.56	3.85	0.29	0.52	0.74
40	I	C	H	50.89	12.22	14.54	27.41	96.91	51.29	-72.62	-30.96	59.59	2.52	37.89	26.41	21.33	13.19	29.25	7.39	0.11	1.15	1.19
41	P	C	H	73.76	5.10	16.77	22.82	94.36	55.30	-66.27	-31.52	55.80	1.98	42.22	29.14	8.69	17.76	30.27	12.21	0.03	1.19	0.71
42	R	C	H	125.90	5.80	16.63	23.21	97.71	52.16	-76.80	-21.72	47.75	5.63	46.61	20.11	10.00	18.39	31.87	13.98	0.16	4.12	1.36
43	H	C	H	67.80	12.54	13.81	26.63	101.65	55.66	-84.86	-6.86	45.83	8.91	45.26	27.45	8.57	10.20	34.08	11.17	0.09	6.82	1.63
44	W	H	H	117.02	9.25	15.13	25.07	100.62	78.56	-75.95	-29.76	32.82	12.11	55.07	18.23	7.11	8.91	42.27	11.76	0.15	10.18	1.39
45	Y	H	H	123.91	6.49	16.00	23.30	98.23	54.17	-74.97	-28.33	26.68	17.38	55.94	12.86	5.18	9.47	43.18	11.80	0.24	15.87	1.40
46	L	H	H	77.19	9.30	14.28	24.37	100.18	54.31	-79.61	-27.91	23.67	21.41	54.93	11.89	4.69	8.33	42.00	12.04	0.32	18.91	1.82
47	L	H	H	81.30	8.64	14.19	23.73	100.80	56.08	-78.37	-16.42	27.44	19.65	52.91	11.87	6.27	11.68	41.86	8.97	0.79	15.91	2.64
48	G	C	T	45.04	5.96	15.36	22.21	100.38	14.80	-56.89	5.47	53.13	4.75	42.12	8.35	7.50	35.59	35.56	7.66	0.48	3.50	1.36
49	G	C	T	38.33	7.79	15.70	24.14	103.16	1.26	66.17	-8.46	58.06	3.24	38.70	10.75	9.07	37.16	34.01	5.61	0.20	2.26	0.94
50	F	H	H	93.67	9.92	14.91	25.39	104.65	92.10	-83.54	2.60	37.68	12.62	49.70	21.28	8.13	9.76	44.47	4.06	0.17	10.22	1.90
51	T	H	H	64.10	8.43	17.77	26.66	100.37	91.45	-76.78	-35.89	23.85	16.40	59.75	14.15	4.34	5.66	55.98	3.01	0.09	15.62	1.15
52	F	H	H	75.24	11.53	18.16	29.73	98.65	59.81	-72.12	-38.77	14.05	19.94	66.02	8.30	2.19	3.33	62.66	2.52	0.05	20.17	0.77
53	T	H	H	42.82	12.88	18.37	31.19	99.09	62.27	-71.18	-39.50	10.06	20.36	69.58	5.99	1.36	2.24	66.44	2.24	0.03	21.18	0.52
54	I	H	H	70.45	9.59	19.68	29.36	95.26	52.52	-68.29	-41.01	7.81	17.39	74.80	4.18	1.14	2.19	71.44	2.36	0.03	18.23	0.43
55	T	H	H	58.49	8.49	20.76	29.35	93.85	51.95	-67.72	-40.68	9.71	15.18	75.11	4.72	1.44	3.33	71.75	2.58	0.06	15.58	0.53
56	L	H	H	41.61	14.43	18.68	32.87	93.65	51.09	-67.41	-40.73	12.82	10.32	76.86	5.71	2.02	5.24	72.89	3.01	0.11	10.38	0.63
57	Y	H	H	81.07	12.38	19.06	31.30	93.38	52.15	-66.17	-40.94	14.71	7.86	77.43	5.52	2.48	7.40	72.80	3.36	0.24	7.43	0.77
58	G	H	H	31.63	6.52	20.05	27.09	92.80	51.16	-65.38	-41.01	21.89	5.81	72.30	6.79	3.43	12.29	67.80	3.37	0.25	5.40	0.67
59	I	H	H	68.27	8.72	19.72	28.86	93.15	49.67	-67.50	-40.65	22.81	6.96	70.23	7.23	4.00	12.45	65.48	3.41	0.30	6.31	0.83
60	L	H	H	41.61	14.00	17.40	31.55	93.16	49.45	-66.21	-41.44	18.41	6.34	75.24	8.80	3.91	7.38	69.03	4.21	0.18	5.76	0.73
61	D	H	H	66.35	7.16	18.95	26.89	92.85	51.23	-65.57	-39.26	18.75	4.46	76.79	7.84	3.31	8.70	67.43	7.89	0.18	4.05	0.61
62	G	H	H	34.21	4.98	18.05	23.89	93.28	51.99	-67.09	-36.33	22.09	2.64	75.26	6.79	3.55	12.26	64.82	9.69	0.21	2.16	0.52
63	L	H	H	64.70	9.90	15.49	26.17	94.46	53.00	-70.84	-31.39	26.48	2.72	70.81	10.11	5.18	12.73	59.77	9.33	0.20	1.99	0.70
64	R	H	H	112.71	8.72	15.24	24.57	97.36	55.50	-78.42	-23.48	40.06	4.60	55.34	18.33	9.61	15.05	47.17	5.30	0.22	2.81	1.50
65	D	C	H	86.02	4.55	14.54	20.18	105.02	70.76	-83.17	60.81	59.40	2.95	37.65	30.80	12.36	16.98	33.29	3.87	0.04	1.54	1.11
66	S	C	H	72.86	4.08	14.30	19.44	98.35	-96.87	-73.08	-9.35	57.59	1.10	41.31	15.98	12.85	29.50	35.01	5.49	0.08	0.51	0.58
67	G	C	H	41.97	5.54	14.57	21.21	97.51	11.53	-22.97	-13.19	54.45	0.93	44.62	14.39	12.54	28.51	37.60	5.93	0.09	0.43	0.51
68	K	H	H	99.53	8.43	14.52	23.67	97.14	66.55	-71.87	-29.96	43.28	2.20	54.53	25.98	8.83	10.28	47.96	4.93	0.03	1.23	0.76
69	K	H	H	104.83	7.45	15.69	23.97	95.36	65.15	-67.09	-39.28	27.51	1.86	70.63	18.87	4.52	5.58	66.54	2.81	0.01	1.20	0.46
70	K	H	H	121.27	2.57	19.47	21.53	93.30	52.40	-65.92	-40.44	14.54	0.88	84.58	9.60	2.23	3.77	81.56	2.03	0.01	0.62	0.17
71	A	H	H	37.09	7.15	17.40	26.10	92.88	51.94	-65.20	-41.20	6.82	0.42	92.76	4.23	1.07	2.22	90.65	1.44	0.01	0.30	0.08
72	Y	H	H	59.82	13.38	15.60	29.43	92.56	50.97	-64.60	-41.43	2.68	0.19	97.14	1.36	0.41	1.04	96.30	0.71	0.00	0.13	0.04
73	D	H	H	73.35	4.17	19.57	24.13	91.70	50.49	-63.93	-41.40	1.75	0.13	98.12	0.81	0.25	0.76	97.66	0.42	0.00	0.08	0.02
74	E	H	H	98.44	2.53	19.49	21.37	91.93	50.04	-65.16	-41.15	1.21	0.07	98.73	0.42	0.17	0.66	98.35	0.35	0.00	0.04	0.01
75	A	H	H	19.47	9.73	13.30	25.43	91.88	50.74	-64.02	-41.68	1.47	0.06	98.47	0.41	0.18	0.91	98.04	0.41	0.01	0.04	0.01
76	I	H	H	75.21	7.88	13.67	22.80	92.39	49.12	-65.10	-41.68	1.92	0.03	98.04	0.35	0.17	1.39	97.54	0.51	0.01	0.02	0.01
77	H	H	H	150.66	1.25	14.67	15.71	91.33	51.29	-66.42	-30.73	7.36	0.03	92.62	0.42	0.38	6.49	92.07	0.59	0.02	0.01	0.02
78	A	C	T	74.70	2.36	12.58	15.73	93.20	53.90	-84.65	-4.90	70.50	0.06	29.44	0.81	1.56	65.87	30.91	0.80	0.00	0.02	0.04
79	G	C	T	59.49	1.63	13.24	15.59	95.79	-107.73	80.82	10.91	98.84	0.05	1.11	5.41	2.90	90.72	0.78	0.15	0.00	0.02	0.02
80	K	C	C	103.75	5.82	11.11	18.96	119.65	139.03	-92.72	145.01	98.07	1.45	0.47	83.73	13.16	0.89	0.23	0.20	0.00	0.49	1.31
81	T	C	C	80.00	4.54	15.20	20.89	116.56	-111.10	-80.45	145.12	98.15	0.83	1.02	88.45	8.27	1.46	0.38	0.56	0.00	0.38	0.51
82	P	C	T	67.36	11.24	12.33	24.10	98.77	-110.37	-64.74	-22.63	82.25	1.47	16.28	28.70	19.39	34.93	4.89	10.55	0.00	0.74	0.80
83	Y	C	T	130.16	7.49	13.86	22.15	105.83	62.64	-89.17	36.76	76.23	4.62	19.15	26.35	17.88	33.42	6.08	11.64	0.05	2.40	2.17
84	T	C	C	77.91	5.90	13.27	20.43	109.63	144.52	-94.14	89.16	72.18	7.12	20.70	41.53	14.50	16.60	7.16	12.96	0.03	3.87	3.36
85	A	C	C	67.41	6.73	10.59	18.61	106.69	-131.65	-80.84	93.78	77.37	6.71	15.92	33.96	17.03	27.81	5.50	9.11	0.04	3.81	2.73
86	G	C	T	53.51	3.49	11.82	16.76	105.15	10.30	78.76	1.94	84.35	5.77	9.88	32.96	19.39	33.33	2.62	6.34	0.01	3.42	1.95
87	G	C	C	51.10	4.03	11.02	16.72	108.23	-55.75	77.32	12.68	90.02	4.35	5.64	69.35	6.72	14.33	1.49	3.57	0.00	2.69	1.84
88	H	C	C	129.75	4.95	11.84	18.30	107.71	79.23	-90.72	79.24	98.44	1.44	0.12	97.61	0.66	0.25	0.04	0.05	0.00	0.96	0.43