# 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 98.73 6.98 11.40 19.77 117.24 -160.65 -91.95 141.43 99.96 0.02 0.02 99.91 0.04 0.02 0.01 0.00 0.00 0.01 0.00 1 S C C 67.68 3.29 11.86 16.43 112.11 -110.61 -76.43 147.23 76.41 0.82 22.77 68.86 0.87 6.00 22.22 1.29 0.00 0.32 0.44 2 S H H 72.10 4.43 9.72 15.69 96.69 -124.96 -70.15 -28.50 45.94 0.62 53.44 29.32 6.11 10.20 51.41 2.40 0.01 0.23 0.32 3 M H H 123.37 2.04 11.43 14.37 94.26 60.90 -67.32 -35.86 13.71 0.14 86.15 6.18 2.38 5.46 83.30 2.54 0.01 0.07 0.06 4 L H H 101.13 2.28 12.78 15.81 93.16 52.36 -66.42 -39.37 6.65 0.10 93.25 2.80 1.00 3.03 90.57 2.50 0.01 0.06 0.03 5 I H H 84.65 4.74 13.13 19.27 92.63 50.80 -65.76 -41.76 2.53 0.04 97.43 0.98 0.38 1.17 96.25 1.19 0.00 0.02 0.01 6 W H H 136.24 3.53 14.96 19.42 92.30 50.04 -64.93 -40.86 1.36 0.01 98.63 0.35 0.16 0.75 98.13 0.60 0.00 0.01 0.00 7 G H H 36.60 2.71 16.07 19.15 92.02 50.73 -64.25 -41.44 1.57 0.01 98.43 0.27 0.14 1.02 98.06 0.51 0.00 0.00 0.00 8 A H H 54.16 3.51 15.88 20.25 92.18 50.22 -65.24 -41.17 2.09 0.01 97.90 0.27 0.16 1.48 97.63 0.47 0.00 0.00 0.00 9 C H H 58.52 5.06 15.84 22.06 92.30 50.25 -65.12 -41.65 2.02 0.01 97.97 0.28 0.16 1.37 97.90 0.29 0.00 0.00 0.00 10 F H H 115.41 2.54 17.77 20.12 92.16 50.11 -64.65 -41.74 1.21 0.00 98.79 0.18 0.10 0.74 98.82 0.16 0.00 0.00 0.00 11 G H H 33.62 3.14 16.55 20.35 92.03 51.02 -64.07 -41.69 0.94 0.00 99.05 0.16 0.06 0.55 99.11 0.13 0.00 0.00 0.00 12 L H H 81.75 4.73 15.89 21.60 92.17 50.05 -64.90 -41.36 0.45 0.00 99.55 0.06 0.03 0.26 99.55 0.10 0.00 0.00 0.00 13 F H H 116.09 3.43 16.57 20.51 92.05 49.71 -64.55 -41.27 0.44 0.00 99.56 0.07 0.03 0.26 99.55 0.09 0.00 0.00 0.00 14 T H H 77.80 2.07 17.17 18.74 92.02 49.25 -64.51 -41.69 0.57 0.00 99.43 0.10 0.04 0.32 99.43 0.10 0.00 0.00 0.00 15 R H H 130.83 2.90 16.64 19.92 92.21 49.67 -65.17 -40.27 0.92 0.00 99.07 0.16 0.06 0.57 99.03 0.18 0.00 0.00 0.00 16 A H H 47.40 5.42 14.78 21.60 92.25 50.63 -64.62 -40.88 1.84 0.00 98.16 0.28 0.13 1.20 98.00 0.37 0.00 0.00 0.00 17 A H H 59.20 2.76 16.47 19.46 92.24 50.41 -64.57 -40.07 4.03 0.02 95.96 0.66 0.37 2.70 95.53 0.71 0.01 0.01 0.01 18 A H H 62.84 2.30 15.96 18.21 92.43 50.53 -65.89 -39.08 10.76 0.09 89.15 2.47 1.36 6.70 87.92 1.45 0.02 0.04 0.05 19 C H H 64.55 4.63 13.61 19.49 93.48 51.68 -67.63 -36.95 22.05 0.26 77.69 7.33 2.91 12.06 74.34 3.08 0.02 0.11 0.15 20 K H H 123.45 3.45 14.07 18.56 93.30 55.64 -65.56 -36.94 18.23 0.36 81.41 6.54 2.87 9.21 71.02 9.95 0.04 0.20 0.16 21 A H H 69.43 2.66 13.27 16.71 93.15 55.62 -67.88 -31.73 20.36 0.46 79.18 6.47 2.81 10.71 64.36 15.15 0.04 0.26 0.19 22 S H H 73.21 3.09 12.39 16.68 95.55 60.61 -74.41 -19.43 41.28 0.50 58.22 8.45 4.83 27.03 44.88 14.22 0.06 0.26 0.28 23 M C T 123.54 3.53 11.48 16.23 99.85 57.13 -87.36 0.33 64.09 0.74 35.16 16.57 8.99 38.90 24.07 10.63 0.03 0.35 0.46 24 I C C 94.13 4.90 10.11 16.93 113.25 98.46 -88.86 124.94 89.60 0.82 9.58 52.99 33.94 2.64 8.06 1.55 0.00 0.28 0.53 25 P C C 90.15 3.18 11.64 16.24 106.47 -120.30 -69.50 140.42 71.72 1.29 26.99 62.40 3.96 6.43 10.50 15.45 0.00 0.77 0.49 26 L C G 116.65 3.66 10.07 15.36 99.90 -132.28 -77.21 -14.91 55.42 1.43 43.15 22.71 11.30 22.16 11.92 30.42 0.01 0.72 0.74 27 T C G 93.05 3.19 10.18 14.90 102.45 57.51 -90.22 8.67 57.58 1.62 40.80 23.71 11.32 23.88 10.90 28.50 0.02 0.81 0.87 28 T C C 92.19 3.38 10.47 15.47 105.80 81.78 -92.00 20.16 72.04 1.56 26.39 32.05 25.03 16.00 8.51 16.58 0.01 0.62 1.19 29 S C C 57.74 4.09 10.41 16.28 115.19 64.38 -104.49 124.12 96.34 0.59 3.07 68.81 25.80 1.82 1.79 1.11 0.00 0.20 0.47 30 P H G 94.62 3.48 10.05 15.40 93.88 -140.23 -62.41 -27.31 42.42 0.26 57.32 9.25 5.18 26.82 11.16 47.32 0.00 0.13 0.14 31 W H G 178.99 2.11 11.28 14.35 96.22 60.81 -76.22 -18.83 41.63 0.24 58.12 4.67 4.48 30.92 11.94 47.71 0.00 0.12 0.15 32 K H G 112.88 3.83 12.39 17.56 96.77 65.76 -73.84 -28.47 30.53 0.40 69.07 8.03 5.23 16.37 22.96 46.99 0.01 0.20 0.20 33 Y H H 108.17 5.48 11.71 18.86 97.63 65.11 -67.49 -39.57 23.36 0.19 76.44 13.11 6.98 4.02 73.12 2.62 0.00 0.07 0.09 34 P H H 73.17 3.23 14.23 18.29 93.45 52.20 -65.13 -38.74 12.68 0.15 87.17 6.99 1.57 4.41 84.57 2.33 0.00 0.08 0.06 35 K H H 114.51 3.08 14.75 18.54 93.13 51.74 -66.15 -40.34 5.44 0.18 94.38 2.58 0.74 2.35 92.02 2.14 0.00 0.13 0.05 36 Y H H 116.85 4.01 14.40 19.44 92.74 50.69 -65.72 -40.07 1.79 0.05 98.16 0.71 0.23 0.83 97.20 0.97 0.00 0.03 0.01 37 M H H 100.70 2.91 15.10 18.74 92.46 50.37 -65.17 -41.04 1.51 0.03 98.46 0.50 0.16 0.78 97.90 0.63 0.00 0.02 0.00 38 I H H 93.44 2.95 15.51 18.91 92.37 49.06 -65.08 -42.37 1.46 0.03 98.51 0.35 0.14 0.87 98.20 0.41 0.00 0.01 0.01 39 V H H 78.92 3.23 16.00 19.79 92.35 48.46 -65.38 -41.49 1.58 0.02 98.40 0.36 0.17 0.93 98.24 0.28 0.00 0.01 0.01 40 S H H 52.04 3.72 15.56 20.21 91.86 50.72 -64.58 -40.92 1.99 0.01 98.00 0.45 0.19 1.15 97.99 0.21 0.00 0.00 0.00 41 A H H 53.22 3.24 15.77 19.83 92.07 50.65 -64.51 -41.11 1.45 0.00 98.55 0.25 0.12 0.90 98.54 0.18 0.00 0.00 0.00 42 V H H 77.73 3.06 16.25 19.79 92.15 49.33 -65.31 -41.92 0.78 0.00 99.22 0.14 0.06 0.46 99.19 0.14 0.00 0.00 0.00 43 T H H 68.16 3.21 16.07 19.80 92.16 49.72 -64.90 -41.39 0.72 0.00 99.27 0.13 0.05 0.43 99.23 0.15 0.00 0.00 0.00 44 F H H 111.12 2.72 16.00 19.05 92.01 49.41 -65.02 -41.22 0.73 0.00 99.27 0.10 0.05 0.48 99.17 0.20 0.00 0.00 0.00 45 Y H H 120.81 3.02 15.81 19.39 92.17 49.77 -65.24 -41.43 1.13 0.00 98.86 0.10 0.06 0.87 98.70 0.26 0.00 0.00 0.00 46 Y H H 120.10 3.02 15.80 19.27 92.21 49.26 -65.29 -41.34 1.62 0.00 98.37 0.12 0.10 1.29 98.21 0.28 0.00 0.00 0.00 47 F H H 106.40 2.78 15.68 18.83 92.48 49.46 -65.11 -41.43 1.43 0.00 98.56 0.16 0.11 1.05 98.44 0.22 0.00 0.00 0.00 48 D H H 72.72 3.14 15.46 19.26 92.46 50.21 -65.17 -40.58 1.53 0.00 98.47 0.28 0.13 1.01 98.40 0.18 0.00 0.00 0.00 49 W H H 130.03 2.94 15.28 18.81 92.21 50.54 -64.74 -41.55 0.72 0.00 99.27 0.09 0.05 0.52 99.20 0.14 0.00 0.00 0.00 50 Y H H 126.71 2.57 15.64 18.41 92.26 50.48 -65.00 -41.61 0.37 0.00 99.63 0.05 0.02 0.25 99.58 0.10 0.00 0.00 0.00 51 R H H 131.86 2.29 15.71 18.13 92.15 50.04 -64.98 -41.09 0.42 0.00 99.58 0.05 0.03 0.28 99.53 0.11 0.00 0.00 0.00 52 R H H 127.48 2.42 15.90 18.49 92.22 49.69 -65.00 -41.15 0.61 0.00 99.39 0.07 0.04 0.43 99.34 0.12 0.00 0.00 0.00 53 M H H 93.07 2.76 15.68 18.75 92.19 49.78 -64.59 -40.98 0.73 0.00 99.27 0.09 0.05 0.48 99.27 0.11 0.00 0.00 0.00 54 A H H 52.76 2.78 15.26 18.67 91.94 50.87 -63.65 -41.45 0.78 0.00 99.22 0.12 0.05 0.48 99.24 0.11 0.00 0.00 0.00 55 L H H 93.05 2.05 15.83 17.68 92.13 49.82 -64.65 -40.95 0.51 0.00 99.49 0.09 0.03 0.29 99.48 0.10 0.00 0.00 0.00 56 E H H 102.41 2.21 15.73 17.98 91.90 51.03 -64.89 -40.97 0.44 0.00 99.56 0.07 0.03 0.24 99.58 0.08 0.00 0.00 0.00 57 Q H H 99.54 2.23 15.80 17.96 92.28 49.77 -65.29 -40.92 0.59 0.00 99.41 0.09 0.04 0.34 99.43 0.09 0.00 0.00 0.00 58 L H H 90.55 2.17 15.74 17.76 91.94 50.21 -64.44 -41.59 0.57 0.00 99.43 0.10 0.04 0.33 99.43 0.09 0.00 0.00 0.00 59 C H H 68.22 2.02 15.34 17.34 91.60 49.67 -64.04 -41.54 0.84 0.00 99.16 0.15 0.06 0.51 99.15 0.13 0.00 0.00 0.00 60 Y H H 126.55 1.99 15.59 17.44 91.87 49.77 -64.57 -41.52 0.63 0.00 99.37 0.12 0.05 0.35 99.37 0.11 0.00 0.00 0.00 61 N H H 86.39 2.08 15.54 17.53 91.88 50.04 -64.54 -40.80 0.67 0.00 99.33 0.12 0.05 0.38 99.35 0.09 0.00 0.00 0.00 62 E H H 105.93 1.81 15.62 16.99 91.66 50.07 -64.64 -40.79 0.82 0.00 99.18 0.14 0.07 0.48 99.21 0.11 0.00 0.00 0.00 63 E H H 101.54 1.98 15.14 17.11 91.78 50.40 -64.58 -40.59 1.36 0.00 98.63 0.23 0.11 0.83 98.70 0.13 0.00 0.00 0.00 64 K H H 113.24 1.93 15.26 17.07 91.85 50.52 -64.92 -41.01 2.08 0.00 97.92 0.29 0.15 1.35 98.06 0.15 0.00 0.00 0.00 65 L H H 92.08 1.81 15.12 16.63 91.82 50.19 -64.37 -40.76 2.03 0.00 97.97 0.40 0.19 1.16 98.09 0.16 0.00 0.00 0.00 66 E H H 109.70 1.75 15.39 16.77 91.68 50.30 -64.69 -40.60 1.12 0.00 98.88 0.33 0.09 0.52 98.95 0.12 0.00 0.00 0.00 67 R H H 132.11 1.94 15.01 16.97 91.90 50.16 -65.02 -40.79 0.78 0.00 99.22 0.17 0.06 0.41 99.25 0.11 0.00 0.00 0.00 68 Y H H 131.21 1.69 15.11 16.41 91.96 49.84 -64.92 -40.75 0.51 0.00 99.49 0.12 0.04 0.26 99.49 0.09 0.00 0.00 0.00 69 Q H H 103.75 1.63 15.47 16.52 92.07 50.06 -64.73 -41.25 0.45 0.00 99.55 0.11 0.03 0.22 99.57 0.06 0.00 0.00 0.00 70 I H H 92.07 2.14 15.12 17.36 92.08 49.59 -64.48 -41.88 0.50 0.00 99.50 0.11 0.04 0.27 99.53 0.06 0.00 0.00 0.00 71 R H H 130.47 1.96 15.39 17.29 92.06 49.73 -64.54 -41.06 0.53 0.00 99.47 0.11 0.04 0.29 99.49 0.07 0.00 0.00 0.00 72 A H H 56.66 2.06 15.17 17.29 91.89 50.43 -64.06 -41.42 0.76 0.00 99.24 0.14 0.06 0.43 99.25 0.12 0.00 0.00 0.00 73 K H H 121.39 1.65 15.78 16.92 92.20 49.86 -65.39 -40.55 1.41 0.00 98.58 0.24 0.11 0.88 98.51 0.26 0.00 0.00 0.00 74 L H H 89.63 2.21 14.68 17.16 92.05 49.85 -64.87 -40.76 1.65 0.00 98.35 0.35 0.16 0.97 97.99 0.53 0.00 0.00 0.00 75 Q H H 104.56 1.88 15.08 16.84 91.92 50.53 -65.00 -39.77 3.56 0.01 96.42 0.71 0.34 2.26 95.75 0.92 0.00 0.00 0.01 76 S H H 65.85 1.84 14.77 16.51 92.32 51.07 -65.25 -39.53 11.11 0.04 88.85 1.88 0.94 7.88 87.74 1.51 0.01 0.02 0.02 77 L H H 98.34 1.96 14.20 16.26 92.61 50.33 -65.63 -39.57 15.54 0.20 84.25 6.27 2.49 7.01 82.13 1.91 0.01 0.09 0.09 78 K H H 123.29 1.97 14.78 16.77 93.28 51.03 -66.25 -39.84 21.12 0.82 78.06 12.57 3.11 6.29 75.01 2.31 0.01 0.42 0.28 79 I H H 97.68 2.19 14.21 16.52 92.94 50.18 -65.65 -40.78 22.30 0.58 77.12 11.25 3.68 8.45 73.21 2.85 0.02 0.32 0.22 80 G H H 37.93 2.94 13.56 17.51 93.66 51.02 -63.74 -40.61 25.65 0.32 74.03 12.25 3.93 10.05 69.40 4.06 0.01 0.15 0.14 81 E H H 117.69 2.09 13.87 16.37 93.08 51.47 -66.79 -38.20 21.60 0.38 78.01 9.78 3.78 8.72 68.69 8.64 0.02 0.20 0.16 82 E H H 126.29 1.54 14.39 15.66 93.55 51.56 -67.72 -36.94 24.54 0.55 74.91 10.26 4.33 10.46 66.46 7.95 0.03 0.28 0.23 83 L H H 93.80 2.98 12.98 16.86 95.71 49.84 -73.30 -30.61 38.45 0.47 61.08 19.74 5.44 13.51 54.73 6.12 0.01 0.20 0.25 84 S H H 56.44 3.76 12.37 17.65 94.81 62.62 -66.25 -40.15 28.38 0.23 71.39 18.60 4.08 5.17 70.28 1.68 0.00 0.08 0.11 85 D H H 91.73 1.91 14.49 16.34 93.73 50.87 -65.78 -40.45 8.46 0.05 91.49 3.73 1.39 3.38 90.00 1.47 0.00 0.02 0.02 86 A H H 64.34 1.74 14.81 16.21 92.64 50.64 -65.17 -40.57 4.82 0.03 95.15 1.98 0.66 2.13 93.93 1.28 0.00 0.01 0.01 87 Y H H 128.40 2.71 14.09 17.54 92.51 49.81 -66.06 -40.42 3.26 0.02 96.73 1.40 0.42 1.40 95.77 0.99 0.00 0.01 0.01 88 R H H 127.65 3.10 14.37 18.37 92.14 51.22 -64.57 -41.01 1.42 0.00 98.57 0.50 0.17 0.64 98.36 0.33 0.00 0.00 0.00 89 E H H 110.36 1.78 15.89 17.19 91.98 50.49 -64.75 -40.86 1.04 0.00 98.96 0.25 0.10 0.55 98.88 0.22 0.00 0.00 0.00 90 S H H 56.24 2.24 15.59 17.89 92.03 50.67 -64.34 -41.12 1.43 0.00 98.56 0.29 0.11 0.83 98.53 0.23 0.00 0.00 0.00 91 F H H 103.68 3.47 14.68 19.19 92.25 50.12 -64.84 -41.79 0.99 0.00 99.01 0.19 0.08 0.57 99.00 0.16 0.00 0.00 0.00 92 F H H 112.22 3.01 15.03 18.66 92.14 49.85 -64.84 -41.10 0.45 0.00 99.55 0.10 0.03 0.22 99.56 0.07 0.00 0.00 0.00 93 E H H 109.89 1.78 16.01 17.28 91.98 50.77 -64.33 -41.19 0.40 0.00 99.60 0.07 0.02 0.21 99.63 0.07 0.00 0.00 0.00 94 H H H 101.06 2.14 15.37 17.44 92.11 49.40 -65.31 -41.29 0.42 0.00 99.57 0.07 0.03 0.24 99.58 0.08 0.00 0.00 0.00 95 A H H 43.40 3.84 12.83 18.53 91.80 50.94 -64.31 -41.47 0.61 0.00 99.39 0.10 0.04 0.36 99.38 0.12 0.00 0.00 0.00 96 V H H 74.59 3.08 12.14 16.59 92.21 49.87 -65.26 -40.50 1.35 0.00 98.64 0.23 0.11 0.85 98.53 0.28 0.00 0.00 0.00 97 Q H H 127.34 1.13 12.62 13.41 92.40 50.48 -66.95 -37.76 3.82 0.01 96.17 0.48 0.29 2.75 95.95 0.53 0.00 0.00 0.00 98 K H H 145.39 1.34 11.45 12.99 93.70 50.95 -70.22 -29.49 13.88 0.02 86.09 1.23 1.08 11.04 85.73 0.89 0.01 0.01 0.02 99 N H H 106.29 2.76 9.61 13.64 99.13 43.42 -90.29 3.15 48.99 0.16 50.85 5.08 4.97 37.16 51.24 1.38 0.02 0.05 0.11 100 N C T 126.22 1.65 10.30 13.19 100.45 -126.85 28.31 46.44 87.29 0.27 12.44 40.45 1.79 43.72 12.74 1.03 0.00 0.11 0.18 101 I C C 100.70 5.55 9.81 17.08 109.27 150.76 -90.87 102.79 99.97 0.02 0.01 99.94 0.03 0.02 0.00 0.00 0.00 0.01 0.00