#	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	103.04	8.29	12.96	22.12	112.58	-166.83	-91.74	128.64	99.68	0.27	0.05	99.42	0.25	0.10	0.02	0.01	0.00	0.15	0.05
1	G	C	C	42.80	5.92	10.78	18.17	123.06	-154.84	-112.23	175.14	91.97	6.53	1.50	86.99	1.56	3.61	0.52	0.78	0.00	3.67	2.87
2	N	C	C	121.47	2.35	10.05	13.82	107.73	-93.07	-93.62	87.16	89.77	7.72	2.51	61.40	17.58	10.58	0.63	2.05	0.00	4.53	3.23
3	C	C	C	93.98	3.55	8.17	13.56	110.63	116.20	-92.06	113.37	89.71	7.44	2.85	51.15	27.05	11.77	0.58	2.49	0.00	4.46	2.50
4	N	C	C	120.36	2.37	9.13	13.19	112.01	-160.36	-92.42	120.04	91.08	6.87	2.05	63.67	20.16	7.01	0.50	1.74	0.00	3.77	3.14
5	K	C	C	143.88	2.67	9.39	13.99	116.73	-143.68	-94.18	137.77	95.19	4.28	0.53	79.42	15.02	0.83	0.23	0.29	0.00	1.96	2.25
6	P	C	C	88.52	4.91	8.69	15.52	115.11	-106.21	-71.37	146.91	97.81	1.39	0.79	91.22	5.48	1.25	0.26	0.47	0.00	0.76	0.56
7	P	C	C	94.87	3.76	9.84	15.41	112.15	-104.30	-68.28	147.46	96.22	1.99	1.79	87.56	5.45	3.23	0.48	1.25	0.00	1.04	1.00
8	K	C	C	158.94	2.08	9.60	13.28	108.55	-123.53	-85.04	123.84	93.78	4.32	1.90	81.34	9.10	2.73	0.60	1.38	0.00	1.90	2.96
9	R	C	C	156.71	3.26	8.96	14.26	116.35	-135.26	-96.92	135.30	96.99	2.51	0.50	83.73	12.45	0.70	0.23	0.25	0.00	1.09	1.55
10	P	C	C	90.84	3.91	9.39	15.24	113.63	-109.06	-71.34	146.81	98.64	0.82	0.54	92.75	5.05	0.95	0.23	0.24	0.00	0.40	0.39
11	P	C	C	101.67	3.29	9.38	14.51	108.48	-106.29	-70.45	143.68	95.30	0.97	3.73	75.90	9.06	10.04	1.05	2.87	0.00	0.51	0.57
12	N	C	C	114.63	3.06	9.36	14.19	110.20	-120.77	-89.51	118.25	92.43	1.80	5.77	64.57	14.49	13.02	1.73	4.28	0.00	0.96	0.95
13	T	C	C	99.45	3.38	9.08	14.15	107.31	-152.11	-92.66	64.81	87.68	3.43	8.89	64.41	13.04	9.73	3.17	6.02	0.00	1.95	1.68
14	Q	C	C	119.48	3.60	9.49	14.92	113.10	102.26	-91.59	131.36	84.40	5.79	9.81	60.55	14.99	8.44	4.23	5.77	0.00	3.35	2.68
15	T	C	C	96.59	3.42	9.81	15.05	113.15	-143.30	-93.16	130.51	84.29	6.19	9.52	63.09	14.16	6.57	4.84	4.95	0.00	3.72	2.66
16	S	C	C	71.02	5.13	8.90	15.73	110.80	-138.35	-87.11	126.67	82.15	6.39	11.46	61.38	10.48	9.96	5.25	6.28	0.00	3.85	2.81
17	S	C	C	84.23	2.92	10.31	14.76	106.90	-153.56	-88.08	68.87	87.35	3.90	8.75	57.07	16.14	14.26	3.35	5.28	0.00	2.34	1.55
18	N	C	C	114.35	3.20	10.55	15.32	109.29	113.89	-90.21	97.86	89.41	4.11	6.48	56.90	22.41	10.15	2.46	3.98	0.00	2.22	1.89
19	Q	C	C	110.49	4.95	10.27	17.06	116.92	-152.81	-95.35	134.55	95.70	3.03	1.27	68.46	26.61	0.92	0.90	0.40	0.00	1.49	1.21
20	P	C	C	77.77	6.03	10.76	18.51	112.84	-109.19	-68.14	149.02	93.88	2.35	3.76	88.45	3.73	1.96	2.62	0.96	0.00	1.36	0.91
21	S	C	C	73.11	5.23	11.25	18.02	108.40	-119.24	-79.29	133.93	74.08	6.56	19.36	63.46	5.55	5.06	11.81	7.37	0.00	4.01	2.73
22	A	C	C	69.41	5.39	10.85	17.63	105.77	-117.10	-81.60	56.59	59.30	9.25	31.45	43.73	8.78	6.89	16.98	14.68	0.02	7.00	1.93
23	E	C	C	119.45	4.44	12.61	18.45	104.26	57.30	-85.13	39.13	50.83	15.94	33.23	37.51	7.58	6.29	17.25	15.89	0.06	13.06	2.36
24	F	C	C	103.57	9.22	10.55	20.62	108.00	66.31	-88.18	100.16	50.65	20.34	29.01	37.90	7.20	5.83	17.10	12.15	0.12	16.67	3.02
25	R	C	C	136.86	5.52	13.41	20.37	111.21	60.09	-92.54	113.62	60.29	20.81	18.91	47.38	6.99	4.95	13.81	5.89	0.07	17.27	3.63
26	R	C	C	129.67	7.69	12.02	20.84	108.17	-163.08	-89.43	109.25	68.54	17.61	13.86	50.62	9.79	7.11	10.19	4.52	0.05	14.32	3.42
27	T	C	C	95.67	3.54	14.95	19.83	116.38	55.45	-105.00	124.33	78.50	13.32	8.18	55.26	15.95	6.88	5.45	3.20	0.02	9.08	4.16
28	A	C	C	45.78	12.92	9.94	22.99	117.33	-126.24	-79.03	146.55	95.39	3.71	0.90	77.77	16.78	1.03	0.58	0.34	0.00	2.19	1.31
29	P	C	C	70.65	6.17	13.99	21.66	113.69	-103.77	-67.65	149.86	94.94	1.16	3.91	86.37	5.51	3.33	2.17	1.44	0.00	0.63	0.56
30	P	C	C	101.87	4.50	13.52	19.52	103.53	-105.97	-69.76	68.49	72.83	1.87	25.31	36.40	11.60	25.03	8.47	16.58	0.01	0.97	0.95
31	S	C	C	60.07	7.15	14.05	22.18	117.54	89.89	-109.37	146.66	66.41	3.92	29.68	27.95	13.05	26.55	10.53	18.01	0.07	2.08	1.75
32	L	C	C	88.89	9.25	14.57	24.48	100.36	-128.07	-80.84	6.52	58.53	7.62	33.85	26.98	15.21	17.78	14.21	18.54	0.16	4.30	2.81
33	Y	C	C	97.19	10.58	16.57	27.52	103.33	93.49	-85.96	6.66	53.44	8.93	37.62	26.68	14.64	13.95	25.25	10.64	0.40	4.73	3.71
34	G	H	H	21.64	14.06	16.42	30.28	102.08	25.15	-54.82	-52.89	36.95	4.56	58.49	15.32	8.69	14.28	36.35	20.67	0.34	2.95	1.39
35	R	H	H	101.35	11.53	17.76	29.17	95.23	28.04	-73.60	-26.28	31.39	4.34	64.27	9.99	6.45	15.14	41.61	22.10	0.53	2.99	1.20
36	Y	H	H	111.08	9.34	19.50	28.93	95.15	58.90	-77.76	-24.10	29.66	6.79	63.55	9.25	6.53	14.60	41.94	20.26	0.85	4.90	1.67
37	N	H	H	58.44	12.66	18.87	31.44	100.00	53.70	-93.91	-0.32	40.72	12.76	46.51	16.62	10.18	16.54	32.76	10.68	1.31	8.16	3.74
38	C	C	C	24.98	18.42	14.89	33.16	115.23	101.53	-93.84	133.12	59.30	19.27	21.42	35.55	12.24	12.25	16.09	5.39	0.30	12.55	5.63
39	K	C	T	110.39	8.42	21.61	30.02	100.90	-152.46	-85.22	-3.38	62.15	14.90	22.96	21.15	20.40	22.37	14.58	7.16	0.70	10.22	3.41
40	C	C	C	39.21	13.49	18.64	32.22	115.63	68.87	-99.67	116.75	56.77	16.74	26.49	22.42	16.75	19.79	15.56	9.31	0.67	12.07	3.42
41	C	C	C	35.95	15.44	18.12	33.26	103.82	-153.89	-86.87	42.94	46.56	21.96	31.48	21.76	11.71	15.37	16.88	13.20	0.55	17.17	3.36
42	W	C	E	87.49	13.00	18.55	31.49	99.71	91.12	-77.02	-17.58	40.50	27.84	31.66	17.18	10.14	15.76	17.22	13.34	0.84	21.93	3.60
43	F	C	C	76.41	12.56	16.46	29.19	103.73	66.77	-87.58	10.57	43.86	28.39	27.74	22.71	10.33	12.94	16.10	10.78	0.72	21.92	4.49
44	A	C	C	56.10	9.13	16.01	25.77	103.63	81.89	-80.65	2.34	64.52	15.57	19.91	23.39	21.42	21.25	11.69	6.86	0.45	12.03	2.91
45	D	C	C	82.23	7.72	14.87	23.56	110.76	45.60	-96.25	102.41	81.14	9.68	9.18	40.92	24.51	16.89	4.05	4.43	0.08	6.51	2.61
46	T	C	T	82.81	7.10	15.83	23.81	102.10	-143.42	-87.28	3.96	89.79	4.95	5.26	12.68	27.98	49.82	0.87	3.98	0.01	3.63	1.04
47	N	C	T	80.64	8.91	17.24	26.63	99.34	56.92	-79.46	11.45	84.52	13.44	2.04	17.80	20.80	46.33	0.21	1.95	0.00	12.23	0.69
48	L	E	E	41.66	16.63	14.21	30.73	118.17	120.19	-96.14	136.12	38.18	61.35	0.48	32.21	4.58	0.94	0.10	0.39	0.00	60.78	1.00
49	I	E	E	41.50	13.55	17.50	31.91	123.12	-156.54	-115.07	137.44	3.91	96.04	0.05	3.55	0.37	0.07	0.02	0.03	0.00	95.46	0.51
50	T	E	E	84.42	6.27	19.33	26.80	113.90	-132.02	-92.00	130.87	4.45	95.50	0.05	3.95	0.39	0.08	0.02	0.03	0.00	95.11	0.43
51	C	E	E	28.67	16.67	11.22	27.56	119.84	171.96	-127.86	123.13	47.04	52.84	0.12	42.84	2.26	0.32	0.03	0.08	0.00	53.66	0.81
52	N	C	T	118.21	2.52	17.47	20.45	100.86	-46.60	48.91	-91.15	98.53	1.17	0.31	2.30	47.59	48.85	0.01	0.26	0.00	0.85	0.13
53	D	C	T	102.86	5.79	16.00	22.85	97.57	-24.43	-91.22	9.56	98.92	0.82	0.26	1.65	45.83	51.62	0.01	0.21	0.00	0.59	0.08
54	H	E	E	46.24	14.65	15.97	31.17	131.85	88.45	-123.11	152.08	24.30	75.58	0.12	17.86	6.49	0.56	0.03	0.09	0.00	74.11	0.87
55	Y	E	E	43.11	15.61	20.98	37.13	120.51	-137.38	-106.24	134.20	3.45	96.53	0.02	3.08	0.36	0.03	0.01	0.01	0.00	96.08	0.44
56	L	E	E	8.78	20.74	21.07	42.04	126.41	-166.42	-118.71	143.75	5.37	94.60	0.03	4.86	0.46	0.03	0.02	0.01	0.00	94.25	0.37
57	C	E	E	12.51	15.50	22.35	38.63	118.06	-119.90	-76.17	149.89	30.74	69.11	0.15	30.32	0.98	0.06	0.10	0.05	0.00	66.81	1.67
58	L	H	H	45.71	15.60	19.63	35.34	92.17	-116.50	-60.02	-37.33	2.63	0.05	97.32	0.76	0.44	1.48	96.48	0.80	0.01	0.03	0.01
59	R	H	H	136.35	3.47	24.83	28.55	91.55	53.97	-64.03	-40.04	0.85	0.02	99.13	0.11	0.10	0.63	98.48	0.67	0.00	0.01	0.00
60	C	H	H	17.97	15.42	20.20	36.01	91.98	49.65	-65.66	-41.93	0.38	0.02	99.60	0.08	0.05	0.25	98.76	0.85	0.00	0.01	0.00
61	H	H	H	11.39	23.51	17.86	41.06	91.52	51.50	-63.97	-42.94	0.27	0.03	99.70	0.06	0.04	0.19	99.31	0.38	0.00	0.02	0.00
62	Q	H	H	75.03	8.63	21.85	30.81	91.54	50.96	-63.64	-41.58	0.65	0.06	99.28	0.13	0.08	0.49	98.91	0.33	0.01	0.05	0.01
63	T	H	H	55.13	4.93	22.39	27.55	91.36	49.96	-64.47	-41.71	1.03	0.04	98.94	0.13	0.09	0.83	98.52	0.38	0.01	0.03	0.01
64	M	H	H	20.16	17.83	17.32	35.42	92.04	49.78	-65.33	-40.74	2.45	0.05	97.50	0.34	0.22	1.93	96.74	0.71	0.02	0.03	0.01
65	L	H	H	35.88	17.63	15.55	32.84	91.83	52.44	-67.30	-31.46	10.16	0.12	89.72	0.94	0.79	8.47	88.03	1.57	0.08	0.05	0.07
66	R	H	H	161.58	2.41	19.45	21.98	93.41	55.26	-74.17	-24.08	28.76	0.24	71.00	1.86	2.07	24.61	69.40	1.72	0.11	0.09	0.15
67	N	H	H	98.56	4.20	17.77	22.50	99.56	37.94	-98.44	-10.76	48.63	1.18	50.19	8.20	8.44	32.91	46.81	2.29	0.16	0.42	0.76
68	S	C	C	23.06	17.11	10.63	27.25	129.60	67.43	-117.29	158.35	87.50	7.05	5.45	58.18	23.00	6.36	3.47	1.98	0.01	3.22	3.77
69	E	C	S	128.79	3.36	20.34	24.08	107.45	-131.84	-86.14	92.30	87.47	10.61	1.93	41.04	41.67	5.40	0.57	1.34	0.00	7.91	2.05
70	L	E	B	72.73	10.27	16.81	27.72	121.79	-90.93	-95.42	144.40	20.70	78.46	0.84	13.78	3.40	0.39	0.62	0.19	0.01	13.10	68.52
71	C	C	C	13.43	18.25	11.09	29.85	111.41	-115.02	-73.37	133.78	88.05	11.64	0.31	86.34	1.73	0.30	0.14	0.13	0.00	6.92	4.43
72	H	C	T	128.86	3.64	18.58	22.99	93.33	-139.62	-68.26	-25.05	99.17	0.38	0.45	0.71	4.31	94.30	0.03	0.32	0.00	0.22	0.11
73	I	C	T	78.84	9.08	15.25	25.14	99.69	44.00	-83.68	-41.13	99.56	0.13	0.31	0.15	2.14	97.44	0.01	0.17	0.00	0.06	0.03
74	C	C	T	52.06	8.30	13.58	23.42	100.18	21.76	-103.09	-8.44	99.66	0.11	0.23	0.48	2.87	96.41	0.01	0.15	0.00	0.05	0.03
75	W	C	C	176.22	4.23	14.71	20.75	94.36	-126.03	65.53	22.03	98.48	1.24	0.28	60.04	15.19	23.31	0.07	0.21	0.00	0.67	0.51
76	K	C	C	94.35	5.39	15.38	22.43	126.14	128.02	-97.18	154.34	91.70	8.23	0.07	57.26	34.68	0.57	0.02	0.06	0.00	6.23	1.18
77	P	E	B	86.91	5.11	19.40	25.34	115.07	-96.85	-64.88	145.41	9.39	90.53	0.07	7.19	0.56	0.02	0.07	0.01	0.00	12.77	79.38
78	L	C	C	19.05	22.73	10.99	33.15	115.81	-112.94	-78.93	142.63	94.23	5.70	0.08	91.55	2.96	0.16	0.02	0.06	0.00	4.52	0.74
79	P	C	C	48.47	9.74	18.25	29.21	112.41	-104.33	-65.67	145.49	93.81	5.76	0.43	82.46	9.63	1.54	0.07	0.45	0.00	4.87	0.99
80	T	C	S	85.58	8.13	16.07	25.22	100.42	-156.47	-91.16	-16.17	77.69	21.53	0.78	35.64	39.73	3.42	0.10	0.81	0.00	18.65	1.65
81	S	E	E	68.49	4.07	18.90	23.67	119.44	40.62	-123.16	131.55	42.40	56.50	1.10	33.44	6.53	2.43	0.19	1.12	0.00	52.83	3.46
82	I	E	E	37.56	19.78	10.44	29.18	120.91	-161.62	-112.11	132.08	36.18	63.46	0.36	33.82	2.04	0.31	0.14	0.24	0.00	60.64	2.81
83	T	E	E	92.02	2.98	21.06	24.44	116.63	-159.05	-109.95	125.00	42.46	57.35	0.18	40.25	1.75	0.22	0.07	0.12	0.00	54.01	3.58
84	V	C	C	47.26	17.39	10.39	27.06	117.05	-153.57	-94.92	131.64	77.22	22.62	0.16	72.78	3.19	0.34	0.04	0.12	0.00	22.48	1.06
85	P	C	C	73.18	5.97	15.13	22.46	113.13	-121.57	-72.45	150.65	89.11	10.55	0.34	79.18	8.27	1.32	0.07	0.31	0.00	9.66	1.18
86	V	C	C	105.78	4.77	14.01	20.30	109.49	-126.97	-94.18	51.14	89.20	10.40	0.41	67.50	20.87	1.22	0.12	0.34	0.00	6.20	3.74
87	E	C	C	128.68	3.78	15.37	20.67	117.23	-51.83	-99.08	130.44	94.94	4.96	0.10	84.29	10.74	0.28	0.03	0.07	0.00	3.41	1.17
88	P	C	C	55.07	14.39	9.89	24.00	115.10	-114.32	-67.65	149.46	94.71	4.78	0.52	85.23	6.27	3.08	0.12	0.43	0.00	3.35	1.52
89	S	C	C	74.45	4.08	15.91	21.13	117.74	-142.30	-97.77	144.47	86.40	12.86	0.74	69.40	12.59	3.27	0.28	0.53	0.00	4.90	9.03
90	A	C	C	62.16	8.08	11.02	20.55	120.51	-104.11	-94.14	142.38	93.31	6.49	0.21	66.01	27.02	0.78	0.07	0.14	0.00	2.97	3.00
91	P	C	C	75.69	6.71	10.27	18.71	116.52	-103.27	-68.40	152.38	98.95	0.99	0.06	87.34	11.34	0.34	0.02	0.03	0.00	0.48	0.44
92	P	C	C	102.15	2.38	12.03	15.83	114.37	-95.24	-65.50	149.50	99.62	0.33	0.05	98.93	0.62	0.16	0.02	0.01	0.00	0.13	0.14
93	P	C	C	105.14	3.39	12.30	17.53	110.28	-96.89	-66.40	145.38	99.81	0.13	0.06	99.27	0.39	0.20	0.02	0.01	0.00	0.07	0.04