#	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	122.02	4.62	11.13	17.34	116.13	-168.79	-97.00	136.36	99.85	0.14	0.01	99.77	0.12	0.03	0.00	0.00	0.00	0.06	0.02
1	S	C	C	82.52	3.04	9.07	13.99	115.32	-145.02	-93.94	142.98	94.36	4.21	1.43	90.30	1.52	2.88	0.56	0.58	0.00	2.22	1.94
2	G	C	C	52.28	3.04	8.28	13.03	114.70	-124.76	-103.66	167.30	90.18	5.17	4.64	54.68	20.75	14.86	1.29	3.27	0.00	2.68	2.48
3	S	C	C	95.08	1.33	8.85	11.10	102.99	-83.26	-85.10	9.89	87.70	4.11	8.20	39.12	27.55	21.69	1.97	5.78	0.00	1.96	1.94
4	T	C	C	103.74	2.21	8.27	11.90	104.99	72.67	-90.80	33.16	85.99	2.65	11.35	30.15	27.46	29.21	2.96	7.60	0.01	1.21	1.40
5	G	C	C	52.19	2.79	9.75	14.09	108.10	-110.02	57.00	4.71	86.67	2.82	10.51	33.86	31.09	22.69	2.80	6.81	0.00	1.35	1.39
6	E	C	C	143.75	1.93	10.20	13.39	110.73	91.25	-90.77	119.02	82.96	7.34	9.70	48.38	25.15	10.01	4.21	5.06	0.02	3.75	3.43
7	R	C	C	120.85	6.43	8.74	16.83	118.15	-147.41	-96.43	139.18	88.86	7.61	3.53	60.68	26.72	1.77	2.61	1.10	0.00	4.05	3.07
8	S	C	C	57.14	3.31	12.41	17.09	116.34	-110.57	-72.61	156.68	82.12	15.09	2.79	80.24	1.99	0.45	2.61	0.32	0.00	5.00	9.39
9	F	H	H	145.63	2.72	11.69	15.93	92.46	-112.18	-59.57	-36.81	2.65	0.02	97.33	0.80	0.45	1.35	96.71	0.65	0.00	0.01	0.01
10	A	H	H	64.09	2.78	13.27	16.93	91.89	53.98	-64.56	-39.61	0.88	0.01	99.11	0.16	0.09	0.54	98.52	0.68	0.00	0.00	0.00
11	D	H	H	74.31	4.11	13.75	19.15	92.31	50.80	-66.18	-39.41	0.36	0.00	99.64	0.09	0.03	0.20	98.84	0.84	0.00	0.00	0.00
12	I	H	H	85.80	3.63	14.19	18.99	92.43	50.62	-65.04	-41.88	0.45	0.01	99.53	0.10	0.04	0.27	99.09	0.48	0.00	0.01	0.00
13	I	H	H	91.46	2.65	15.69	18.62	92.42	48.88	-65.40	-41.50	1.11	0.07	98.82	0.24	0.12	0.73	98.59	0.26	0.00	0.05	0.01
14	T	H	H	61.51	3.91	14.89	20.01	92.21	49.49	-65.12	-41.51	3.68	0.10	96.23	0.92	0.52	2.09	96.18	0.21	0.01	0.04	0.03
15	S	H	H	51.76	3.84	14.96	20.04	92.00	51.38	-64.43	-41.01	5.91	0.11	93.97	2.14	0.75	2.64	94.15	0.24	0.00	0.05	0.04
16	I	H	H	93.85	2.36	16.17	18.50	92.03	49.64	-65.07	-41.56	1.62	0.03	98.35	0.68	0.20	0.67	98.29	0.13	0.00	0.01	0.01
17	R	H	H	128.00	2.81	15.86	19.11	92.12	50.19	-64.87	-41.02	0.69	0.02	99.29	0.24	0.06	0.34	99.23	0.10	0.00	0.01	0.00
18	Y	H	H	114.65	4.13	14.80	19.94	92.11	50.12	-64.88	-41.56	0.32	0.01	99.66	0.09	0.02	0.17	99.64	0.06	0.00	0.01	0.00
19	W	H	H	139.93	2.64	15.35	18.48	92.12	50.42	-64.42	-41.59	0.19	0.01	99.80	0.04	0.01	0.11	99.79	0.04	0.00	0.01	0.00
20	V	H	H	81.62	2.36	15.74	18.20	92.10	48.94	-64.75	-42.19	0.23	0.01	99.76	0.03	0.01	0.15	99.74	0.05	0.00	0.01	0.00
21	I	H	H	84.42	3.60	14.84	19.36	92.36	47.88	-65.34	-41.59	0.56	0.02	99.43	0.07	0.04	0.39	99.35	0.13	0.00	0.01	0.00
22	H	H	H	101.44	4.28	13.94	19.47	92.62	48.52	-66.78	-37.80	1.90	0.01	98.09	0.17	0.11	1.51	97.78	0.41	0.00	0.00	0.00
23	S	H	H	67.39	2.67	14.57	17.78	94.43	49.58	-72.93	-34.45	9.75	0.02	90.24	0.44	0.49	8.91	88.92	1.20	0.01	0.01	0.01
24	I	H	H	105.52	2.29	14.92	17.32	100.75	38.74	-89.65	-35.06	33.47	0.09	66.44	1.14	2.01	30.21	64.69	1.79	0.06	0.03	0.07
25	T	H	H	66.27	4.80	13.85	19.92	101.45	39.29	-91.67	-30.58	34.32	0.16	65.51	3.50	3.16	27.29	63.79	2.03	0.05	0.06	0.12
26	I	H	H	81.44	4.92	13.74	20.07	94.01	60.18	-64.67	-42.83	13.57	0.09	86.35	5.52	3.02	5.08	84.70	1.59	0.01	0.03	0.05
27	P	H	H	73.03	2.90	15.66	19.13	92.42	50.73	-64.54	-39.67	8.76	0.07	91.17	4.18	0.95	3.44	89.50	1.86	0.01	0.04	0.03
28	S	H	H	57.17	3.26	15.71	19.65	92.61	51.11	-65.68	-39.64	2.69	0.04	97.26	1.06	0.34	1.30	95.36	1.89	0.00	0.03	0.01
29	L	H	H	83.46	4.81	14.98	20.77	92.56	50.84	-65.79	-40.71	1.53	0.05	98.41	0.46	0.19	0.89	97.18	1.22	0.01	0.04	0.01
30	F	H	H	111.71	4.18	15.66	20.49	92.49	49.48	-65.65	-41.09	2.13	0.17	97.70	0.52	0.25	1.40	96.64	0.98	0.03	0.14	0.03
31	I	H	H	95.41	2.37	16.83	19.10	92.20	48.98	-64.97	-41.60	2.06	0.13	97.81	0.48	0.23	1.33	97.27	0.56	0.02	0.09	0.02
32	A	H	H	53.46	3.32	16.15	20.22	91.81	50.58	-63.94	-40.91	3.02	0.05	96.93	0.47	0.25	2.22	96.20	0.79	0.02	0.03	0.01
33	G	H	H	28.41	5.99	14.44	21.97	92.02	51.24	-64.30	-40.53	4.55	0.03	95.42	0.55	0.32	3.54	94.41	1.14	0.02	0.02	0.01
34	W	H	H	135.01	3.78	15.79	20.29	92.13	51.12	-64.95	-40.82	2.76	0.06	97.17	0.50	0.30	1.96	94.91	2.23	0.03	0.04	0.02
35	L	H	H	94.92	2.44	16.19	18.76	92.28	50.53	-65.61	-40.54	3.73	0.14	96.12	0.66	0.43	2.76	93.33	2.63	0.06	0.10	0.03
36	F	H	H	108.33	3.76	14.98	19.61	93.06	47.46	-67.75	-39.07	7.62	0.40	91.98	1.54	1.06	5.48	88.61	2.81	0.13	0.26	0.11
37	V	H	H	73.61	5.78	13.48	20.45	94.16	50.00	-69.58	-38.70	17.09	1.12	81.80	4.55	3.17	10.72	77.71	2.56	0.26	0.62	0.41
38	S	H	H	70.00	3.19	14.04	18.00	95.96	54.69	-73.70	-27.52	32.94	0.98	66.08	7.48	5.50	20.87	62.39	2.64	0.20	0.49	0.43
39	T	C	T	80.48	3.24	13.67	17.62	97.82	50.34	-84.21	-15.14	59.30	0.73	39.97	5.68	10.82	41.67	38.02	2.92	0.14	0.30	0.46
40	G	C	H	42.41	5.13	12.97	19.54	97.26	-111.27	62.30	-6.59	57.83	0.81	41.36	10.07	11.94	35.46	38.10	3.53	0.11	0.33	0.48
41	L	H	H	92.47	3.12	14.09	18.15	94.77	86.85	-69.35	-37.62	27.32	0.60	72.07	10.89	4.95	12.93	63.96	6.57	0.09	0.33	0.27
42	A	H	H	41.77	6.06	12.39	20.39	94.24	54.23	-66.44	-38.52	16.83	0.69	82.48	6.88	2.78	8.17	73.52	7.84	0.11	0.49	0.22
43	Y	H	H	112.33	5.36	12.25	19.16	94.05	53.05	-67.25	-38.59	9.12	0.62	90.26	3.16	1.70	5.03	80.31	9.04	0.13	0.47	0.15
44	D	H	H	100.54	2.35	12.88	16.11	94.12	53.43	-70.31	-32.51	10.11	0.50	89.38	3.03	1.65	6.05	80.52	8.11	0.14	0.36	0.14
45	V	H	H	106.89	2.06	12.31	14.93	97.39	47.76	-78.50	-33.31	16.21	0.49	83.31	2.80	2.67	11.58	76.56	5.65	0.25	0.26	0.22
46	F	H	H	143.91	2.49	10.95	14.45	101.96	37.09	-97.40	-4.44	32.52	1.09	66.40	5.78	8.19	21.08	60.64	2.85	0.38	0.41	0.68
47	G	C	C	50.14	2.99	11.54	15.92	110.10	-114.48	82.52	86.57	95.27	1.07	3.66	42.90	21.69	31.00	2.32	1.08	0.00	0.51	0.49
48	S	C	C	69.55	4.23	10.44	16.51	119.89	-33.15	-98.36	145.56	98.22	1.62	0.15	64.93	32.86	0.70	0.05	0.09	0.00	0.71	0.66
49	P	C	C	85.94	5.22	10.81	17.69	113.42	-103.02	-68.76	147.04	97.45	2.34	0.21	82.54	13.95	0.79	0.08	0.13	0.00	0.93	1.58
50	R	C	C	135.65	4.68	10.28	16.80	114.94	-120.96	-90.13	131.26	98.87	0.95	0.18	93.23	5.33	0.28	0.07	0.07	0.00	0.32	0.69
51	P	C	G	91.61	4.82	10.03	16.54	99.18	-118.00	-62.52	-24.86	58.28	0.87	40.85	21.33	7.47	29.33	8.79	32.21	0.00	0.46	0.43
52	N	C	T	119.95	2.54	10.81	14.53	98.68	53.69	-84.38	0.60	54.20	0.81	44.99	11.06	8.26	34.22	12.00	33.60	0.01	0.44	0.41
53	E	H	G	121.25	3.39	11.12	16.03	104.26	88.17	-89.49	17.30	47.57	2.76	49.67	19.66	11.34	17.79	12.81	35.75	0.03	1.61	1.01
54	Y	C	C	127.09	5.96	10.01	17.49	108.66	76.21	-100.26	54.00	60.33	9.08	30.59	33.90	14.41	12.49	14.91	15.42	0.12	5.10	3.65
55	F	C	C	112.01	6.23	8.70	16.58	115.94	58.03	-100.65	128.57	77.95	11.01	11.04	56.55	15.02	5.21	7.82	3.78	0.02	6.05	5.56
56	T	C	C	82.96	3.39	10.22	15.22	114.80	-161.85	-99.75	146.30	85.10	5.21	9.69	67.27	12.31	4.95	7.09	3.00	0.00	3.28	2.09
57	E	C	T	141.85	2.24	9.77	13.41	100.35	-122.85	-75.81	-27.48	61.78	1.85	36.37	19.29	17.69	25.78	18.52	16.70	0.07	0.90	1.06
58	S	C	T	85.48	1.85	9.42	12.37	104.25	52.28	-81.72	14.11	64.12	1.39	34.49	21.39	15.06	28.33	16.01	17.63	0.04	0.64	0.88
59	R	C	C	154.30	3.65	8.18	13.49	103.89	65.08	-86.32	27.55	62.91	2.75	34.34	30.94	13.93	18.86	15.47	17.92	0.03	1.31	1.54
60	Q	C	C	131.81	2.38	9.39	13.18	105.88	104.80	-87.73	49.98	76.11	2.62	21.27	39.09	16.10	21.56	12.36	8.29	0.02	1.34	1.25
61	G	C	C	52.25	2.32	11.25	14.63	116.72	-46.56	108.77	175.79	90.24	3.92	5.84	44.68	25.37	20.96	2.19	3.15	0.00	2.58	1.07
62	I	C	C	113.92	3.62	9.27	14.76	116.26	-40.90	-96.77	132.54	88.21	9.89	1.90	67.88	19.38	1.23	1.40	0.66	0.00	6.75	2.69
63	P	C	C	87.18	4.36	10.34	16.54	113.37	-111.80	-68.90	145.04	74.65	21.11	4.24	70.03	2.68	1.40	3.33	1.16	0.00	15.19	6.20
64	L	C	C	119.14	3.19	9.92	14.90	112.44	-131.73	-87.35	131.11	66.46	19.27	14.27	46.59	13.39	5.92	10.96	4.22	0.10	13.51	5.31
65	I	C	C	109.08	4.54	8.59	14.90	109.48	-146.57	-94.12	112.43	53.73	22.74	23.53	37.56	9.52	6.17	18.08	6.16	0.13	17.15	5.22
66	T	C	H	92.84	3.13	9.97	14.77	112.88	90.09	-95.86	125.66	45.67	10.44	43.89	24.55	8.99	12.87	30.58	12.62	0.27	7.95	2.16
67	G	H	H	52.26	2.49	12.02	15.35	102.22	17.28	55.67	-14.52	47.68	3.21	49.11	16.68	10.47	21.23	32.16	16.03	0.30	1.94	1.19
68	R	H	H	152.68	3.04	11.13	15.47	98.27	74.10	-73.44	-26.95	42.55	2.24	55.21	16.74	9.34	17.21	38.33	16.02	0.17	1.27	0.92
69	F	H	H	115.74	5.38	10.11	17.09	103.59	62.56	-89.48	11.27	44.09	2.80	53.11	21.36	11.42	13.46	41.28	9.68	0.15	1.42	1.23
70	D	C	C	83.04	3.90	12.89	18.03	103.99	77.00	-82.68	50.42	57.62	1.06	41.32	43.01	7.62	6.10	39.75	2.62	0.00	0.47	0.42
71	S	H	H	57.60	4.45	12.20	18.08	96.67	66.51	-66.49	-38.85	15.86	0.24	83.90	9.63	2.78	3.96	81.76	1.66	0.01	0.10	0.09
72	L	H	H	98.46	2.80	13.23	16.92	93.57	52.02	-66.37	-39.75	3.54	0.04	96.41	1.35	0.54	1.65	95.19	1.23	0.00	0.02	0.01
73	E	H	H	110.22	1.88	14.33	16.20	92.40	51.47	-65.47	-40.19	2.11	0.04	97.85	0.88	0.28	0.97	96.69	1.14	0.00	0.02	0.01
74	Q	H	H	92.25	2.74	13.75	17.33	92.14	51.03	-65.18	-40.60	1.64	0.03	98.33	0.66	0.21	0.77	97.52	0.81	0.00	0.02	0.00
75	L	H	H	83.55	3.05	12.89	17.17	91.96	50.39	-64.44	-40.79	1.31	0.02	98.67	0.50	0.15	0.62	98.19	0.52	0.00	0.01	0.00
76	D	H	H	82.44	1.95	13.63	15.85	91.85	51.12	-64.47	-40.06	1.82	0.02	98.15	0.59	0.18	0.95	97.68	0.58	0.00	0.01	0.00
77	E	H	H	110.75	1.57	13.25	14.72	91.91	50.66	-64.84	-40.12	2.92	0.03	97.05	0.73	0.29	1.78	96.15	1.01	0.01	0.02	0.01
78	F	H	H	120.81	2.06	11.34	14.27	92.35	49.84	-66.45	-38.86	4.94	0.04	95.02	1.08	0.53	3.11	93.86	1.38	0.01	0.02	0.01
79	S	H	H	68.76	2.45	10.00	13.76	93.88	53.59	-69.72	-31.76	14.92	0.09	84.99	2.94	1.59	10.12	83.20	2.04	0.02	0.04	0.05
80	R	H	H	172.47	1.16	9.91	11.55	95.08	57.70	-72.84	-25.85	41.95	0.26	57.79	5.83	4.36	31.47	54.76	3.28	0.04	0.10	0.16
81	S	C	T	88.44	1.22	8.97	10.87	99.54	56.52	-83.30	-7.62	66.12	0.26	33.62	25.65	2.28	37.03	32.00	2.76	0.00	0.10	0.17
82	F	C	C	140.03	3.43	8.75	13.83	104.35	78.97	-85.56	39.22	99.93	0.03	0.04	99.78	0.09	0.08	0.02	0.00	0.00	0.01	0.00