# 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 103.08 6.15 10.18 17.84 112.23 -149.34 -89.11 132.31 99.98 0.02 0.01 99.88 0.09 0.02 0.00 0.00 0.00 0.00 0.01 1 T C C 77.59 2.79 11.25 15.22 116.60 -133.34 -81.53 152.88 96.49 0.06 3.45 95.43 0.44 0.53 3.49 0.07 0.00 0.01 0.04 2 P H H 96.99 2.38 9.91 13.67 93.80 -109.29 -60.77 -36.17 15.45 0.03 84.52 5.28 1.83 7.41 83.93 1.52 0.00 0.01 0.02 3 E H H 126.42 1.71 10.99 13.40 92.73 54.21 -67.29 -36.29 7.52 0.02 92.46 2.05 0.85 4.11 91.46 1.51 0.00 0.01 0.01 4 I H H 90.89 2.57 11.14 14.92 92.55 51.61 -66.02 -40.13 2.43 0.01 97.56 0.88 0.31 1.11 96.40 1.30 0.00 0.01 0.00 5 F H H 117.65 2.06 12.56 15.22 92.13 50.82 -65.01 -40.94 1.20 0.01 98.80 0.46 0.14 0.52 98.37 0.50 0.00 0.00 0.00 6 V H H 81.57 2.00 13.20 15.60 91.91 50.27 -64.80 -41.24 0.57 0.00 99.43 0.19 0.06 0.25 99.35 0.14 0.00 0.00 0.00 7 E H H 103.98 2.27 13.67 16.46 91.95 50.01 -64.61 -40.60 0.49 0.00 99.51 0.15 0.05 0.23 99.47 0.10 0.00 0.00 0.00 8 L H H 92.74 2.33 13.79 16.66 92.09 50.23 -64.73 -41.32 0.42 0.00 99.58 0.09 0.03 0.23 99.57 0.08 0.00 0.00 0.00 9 F H H 123.20 1.84 14.70 16.37 92.13 49.27 -65.19 -40.90 0.41 0.00 99.59 0.09 0.03 0.23 99.60 0.06 0.00 0.00 0.00 10 K H H 115.26 2.03 14.98 16.97 92.20 50.16 -64.96 -40.87 0.40 0.00 99.60 0.07 0.02 0.22 99.64 0.05 0.00 0.00 0.00 11 E H H 103.70 2.33 14.86 17.52 91.97 50.11 -64.63 -40.54 0.32 0.00 99.68 0.05 0.02 0.18 99.72 0.03 0.00 0.00 0.00 12 S H H 55.49 2.99 14.07 17.82 91.81 51.43 -64.08 -41.06 0.25 0.00 99.75 0.04 0.01 0.13 99.79 0.03 0.00 0.00 0.00 13 L H H 98.55 1.89 15.34 17.06 91.96 50.20 -64.87 -40.89 0.13 0.00 99.87 0.02 0.00 0.07 99.89 0.02 0.00 0.00 0.00 14 W H H 147.63 1.96 15.55 17.22 91.95 49.97 -64.85 -41.10 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.01 0.00 0.00 0.00 15 L H H 85.83 2.97 14.81 18.51 91.88 49.55 -64.36 -41.31 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 16 V H H 77.96 3.40 14.69 18.68 91.83 50.03 -64.25 -41.58 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.01 0.00 0.00 0.00 17 L H H 98.01 1.90 15.91 17.49 91.76 49.85 -64.85 -41.11 0.12 0.00 99.88 0.01 0.00 0.07 99.89 0.03 0.00 0.00 0.00 18 I H H 99.49 2.08 16.06 17.83 91.92 49.19 -65.27 -41.28 0.23 0.00 99.77 0.01 0.01 0.16 99.76 0.06 0.00 0.00 0.00 19 M H H 91.82 3.96 15.10 19.60 92.19 48.95 -65.04 -40.82 0.86 0.00 99.14 0.04 0.03 0.68 99.09 0.16 0.00 0.00 0.00 20 V H H 76.34 3.43 15.46 19.64 92.15 49.88 -64.69 -41.20 2.29 0.00 97.71 0.12 0.10 1.83 97.49 0.45 0.00 0.00 0.00 21 C H H 71.09 2.09 16.47 18.20 91.68 50.97 -64.25 -41.20 3.17 0.00 96.83 0.23 0.18 2.51 94.80 2.28 0.00 0.00 0.00 22 A H H 57.54 2.82 15.65 18.84 91.89 50.61 -64.83 -40.21 9.36 0.01 90.63 0.27 0.32 8.96 86.39 4.04 0.01 0.00 0.01 23 I H H 85.53 4.76 14.71 20.24 92.50 48.89 -66.92 -40.00 21.92 0.02 78.06 0.46 0.73 21.26 74.77 2.74 0.02 0.01 0.01 24 I H H 95.86 2.69 15.88 18.87 92.48 49.66 -65.48 -41.31 11.02 0.03 88.95 0.78 1.12 8.91 88.01 1.10 0.04 0.01 0.03 25 I H H 100.27 1.64 17.21 17.77 91.75 49.79 -64.01 -42.46 3.43 0.01 96.56 0.80 0.41 1.94 94.68 2.16 0.00 0.01 0.00 26 P H H 63.90 3.81 15.27 19.91 91.78 49.71 -64.39 -41.01 1.98 0.01 98.02 0.34 0.16 1.27 95.50 2.72 0.00 0.00 0.00 27 S H H 52.25 4.65 14.59 20.48 92.17 51.06 -64.54 -40.31 1.02 0.00 98.97 0.16 0.09 0.65 95.98 3.12 0.00 0.00 0.00 28 L H H 102.44 1.83 16.60 17.82 92.03 50.16 -64.90 -40.58 1.34 0.00 98.66 0.18 0.11 0.93 97.43 1.35 0.00 0.00 0.00 29 L H H 99.11 1.70 16.76 17.59 92.33 49.33 -65.21 -41.28 2.09 0.00 97.91 0.28 0.17 1.48 97.55 0.51 0.00 0.00 0.00 30 I H H 83.50 3.91 14.93 19.58 91.95 50.12 -64.90 -41.35 1.22 0.00 98.78 0.18 0.10 0.79 98.73 0.20 0.00 0.00 0.00 31 G H H 34.27 3.73 14.63 19.59 91.68 51.77 -63.64 -41.20 0.80 0.00 99.20 0.15 0.06 0.44 99.21 0.14 0.00 0.00 0.00 32 L H H 102.07 1.65 16.61 17.35 92.09 49.72 -65.26 -40.86 0.50 0.00 99.50 0.08 0.03 0.29 99.47 0.12 0.00 0.00 0.00 33 V H H 83.79 2.08 16.32 18.03 92.22 49.14 -64.76 -42.00 0.48 0.00 99.52 0.08 0.03 0.28 99.50 0.10 0.00 0.00 0.00 34 V H H 72.68 3.66 14.64 19.26 91.99 49.72 -64.87 -41.39 0.49 0.00 99.51 0.09 0.04 0.27 99.51 0.09 0.00 0.00 0.00 35 A H H 57.90 2.80 15.03 18.42 92.15 51.06 -63.92 -40.93 0.64 0.00 99.35 0.14 0.05 0.36 99.33 0.11 0.00 0.00 0.00 36 I H H 106.98 1.47 16.33 16.80 92.12 49.41 -64.86 -41.32 0.81 0.00 99.18 0.14 0.06 0.50 99.11 0.17 0.00 0.00 0.00 37 F H H 119.73 2.29 15.45 17.77 92.23 48.85 -65.17 -40.66 1.16 0.01 98.83 0.22 0.11 0.71 98.66 0.29 0.00 0.00 0.00 38 Q H H 96.53 3.07 14.72 18.62 92.14 50.97 -64.68 -39.95 2.72 0.01 97.27 0.57 0.29 1.70 96.93 0.49 0.01 0.00 0.01 39 A H H 60.86 2.13 15.36 17.41 92.18 50.56 -64.70 -40.81 5.16 0.02 94.81 1.01 0.60 3.37 94.16 0.81 0.01 0.01 0.01 40 A H H 60.90 2.12 15.53 17.58 92.41 50.10 -65.65 -40.09 9.01 0.04 90.95 2.09 1.20 5.54 89.95 1.16 0.01 0.02 0.03 41 T H H 69.06 3.22 14.66 18.67 93.10 50.70 -66.89 -40.09 16.98 0.13 82.90 6.06 2.88 8.17 81.36 1.41 0.01 0.05 0.07 42 S H H 61.57 2.51 15.05 17.88 92.94 51.98 -65.06 -40.66 21.27 0.22 78.51 9.84 3.43 8.18 76.42 1.91 0.01 0.10 0.10 43 I H H 101.70 1.80 15.28 16.66 92.37 49.79 -65.60 -40.99 17.28 0.16 82.56 7.36 3.21 7.15 79.68 2.44 0.01 0.07 0.08 44 N H H 90.77 2.17 14.90 17.24 92.54 50.28 -66.16 -39.96 15.87 0.10 84.02 7.44 2.46 6.29 80.94 2.76 0.01 0.05 0.06 45 E H H 106.43 2.71 14.46 17.68 92.49 51.60 -65.91 -39.18 13.59 0.08 86.32 5.24 2.09 6.48 81.71 4.38 0.01 0.04 0.05 46 Q H H 103.55 2.53 14.30 17.39 92.60 51.05 -66.42 -38.61 15.17 0.07 84.75 3.58 1.98 9.41 79.39 5.53 0.03 0.03 0.04 47 T H H 78.73 2.30 14.53 17.12 93.02 50.25 -67.39 -38.61 17.40 0.08 82.51 3.38 2.19 11.61 75.37 7.33 0.03 0.04 0.05 48 L H H 102.62 2.00 14.82 16.80 93.10 50.70 -67.19 -37.46 22.53 0.15 77.31 4.80 2.85 14.04 62.43 15.69 0.03 0.07 0.09 49 S H H 58.87 3.40 13.64 18.14 93.03 52.74 -69.17 -33.64 42.75 0.12 57.12 5.13 3.29 33.34 44.36 13.70 0.02 0.05 0.10 50 F H H 114.13 3.58 13.87 18.52 94.08 52.74 -69.11 -34.73 23.30 0.05 76.65 2.68 2.21 17.93 69.73 7.38 0.02 0.02 0.04 51 L H H 94.93 2.16 15.21 17.46 92.37 56.27 -63.49 -42.12 2.86 0.00 97.13 0.87 0.42 1.24 96.94 0.53 0.00 0.00 0.00 52 P H H 74.29 2.19 15.19 17.50 91.52 49.60 -64.48 -40.47 1.29 0.00 98.70 0.40 0.11 0.62 98.41 0.47 0.00 0.00 0.00 53 R H H 120.33 4.01 14.09 19.12 92.10 50.50 -65.41 -39.99 0.36 0.00 99.64 0.08 0.03 0.19 99.41 0.29 0.00 0.00 0.00 54 L H H 92.99 2.73 15.02 18.29 92.05 50.24 -64.93 -41.17 0.16 0.00 99.84 0.03 0.01 0.08 99.80 0.08 0.00 0.00 0.00 55 I H H 104.36 1.36 16.63 16.62 92.02 49.19 -64.70 -41.82 0.11 0.00 99.89 0.02 0.00 0.06 99.89 0.03 0.00 0.00 0.00 56 I H H 88.50 2.65 15.30 18.29 91.94 48.88 -64.88 -41.92 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 57 T H H 60.70 5.01 13.91 20.29 91.91 49.81 -64.69 -41.61 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 58 L H H 95.38 1.93 16.09 17.68 91.80 49.59 -64.34 -41.49 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 59 L H H 97.09 1.48 16.62 16.93 91.88 49.37 -64.79 -41.15 0.16 0.00 99.84 0.01 0.01 0.11 99.83 0.05 0.00 0.00 0.00 60 A H H 47.27 4.02 13.69 19.25 92.01 50.40 -64.21 -41.10 0.38 0.00 99.62 0.02 0.01 0.26 99.57 0.13 0.00 0.00 0.00 61 L H H 90.38 3.32 13.96 18.30 91.98 49.99 -64.97 -40.25 0.68 0.00 99.32 0.03 0.02 0.54 98.98 0.43 0.00 0.00 0.00 62 M H H 118.99 1.32 15.20 15.64 92.25 49.57 -65.61 -39.85 2.01 0.00 97.98 0.07 0.07 1.84 96.94 1.09 0.00 0.00 0.00 63 F H H 131.73 1.50 15.05 15.89 93.42 46.33 -69.38 -38.59 8.89 0.01 91.10 0.21 0.30 8.66 89.53 1.29 0.01 0.00 0.00 64 F H H 107.94 3.49 13.57 18.09 94.37 44.86 -74.48 -30.98 14.66 0.02 85.32 0.88 1.04 12.41 84.22 1.41 0.01 0.01 0.01 65 G H H 33.55 3.57 13.07 18.25 92.17 61.58 -61.98 -41.51 12.71 0.03 87.27 2.32 1.46 8.37 84.24 3.56 0.01 0.01 0.02 66 H H H 116.83 1.89 15.10 16.82 92.58 50.75 -65.85 -39.08 9.30 0.02 90.67 1.53 0.84 6.51 87.31 3.77 0.01 0.01 0.02 67 W H H 144.03 2.12 14.95 17.11 92.62 51.04 -65.29 -40.71 4.04 0.01 95.95 0.84 0.40 2.57 92.85 3.32 0.00 0.01 0.01 68 M H H 97.39 2.59 14.74 17.83 92.29 50.13 -65.02 -41.14 2.29 0.01 97.70 0.58 0.24 1.34 96.78 1.05 0.00 0.00 0.00 69 T H H 73.37 2.25 14.82 17.32 92.09 50.21 -64.52 -41.17 1.06 0.00 98.93 0.25 0.09 0.58 98.74 0.33 0.00 0.00 0.00 70 Q H H 99.89 2.31 14.74 17.35 92.09 50.92 -64.85 -40.55 0.56 0.00 99.44 0.11 0.04 0.31 99.37 0.18 0.00 0.00 0.00 71 M H H 99.99 2.34 14.80 17.46 92.11 50.26 -65.11 -41.27 0.54 0.00 99.46 0.08 0.03 0.32 99.39 0.17 0.00 0.00 0.00 72 L H H 95.91 1.74 15.28 16.63 92.02 49.48 -64.72 -41.08 0.51 0.00 99.49 0.07 0.03 0.30 99.46 0.14 0.00 0.00 0.00 73 M H H 97.51 2.24 14.49 16.99 91.87 50.33 -64.72 -40.96 0.49 0.00 99.51 0.07 0.03 0.28 99.52 0.10 0.00 0.00 0.00 74 D H H 79.91 2.47 14.16 17.21 91.97 50.72 -64.66 -40.58 0.64 0.00 99.36 0.09 0.03 0.39 99.37 0.11 0.00 0.00 0.00 75 F H H 121.28 1.73 14.69 16.17 92.09 50.02 -64.75 -41.05 0.62 0.00 99.38 0.09 0.03 0.39 99.35 0.14 0.00 0.00 0.00 76 F H H 118.83 1.71 14.75 16.11 92.00 49.60 -64.84 -41.25 0.60 0.00 99.40 0.09 0.03 0.36 99.37 0.13 0.00 0.00 0.00 77 Y H H 123.97 2.32 13.99 16.79 92.23 49.74 -65.01 -40.88 0.59 0.00 99.41 0.08 0.04 0.36 99.37 0.14 0.00 0.00 0.00 78 S H H 57.44 2.46 13.61 16.81 91.92 50.77 -64.41 -40.61 1.17 0.00 98.83 0.13 0.06 0.83 98.66 0.31 0.00 0.00 0.00 79 M H H 106.63 1.63 13.89 15.30 92.01 50.68 -64.79 -40.68 1.81 0.00 98.19 0.13 0.09 1.41 97.58 0.78 0.00 0.00 0.00 80 I H H 102.33 1.70 13.33 15.07 92.39 49.31 -65.86 -40.05 3.26 0.01 96.73 0.22 0.18 2.67 94.86 2.06 0.00 0.00 0.00 81 E H H 114.57 2.22 12.50 15.51 92.52 51.13 -67.55 -33.96 19.60 0.01 80.39 0.50 0.61 18.48 77.92 2.48 0.01 0.00 0.01 82 R H H 143.12 1.98 12.27 14.77 93.93 52.97 -72.89 -28.23 33.13 0.02 66.85 1.31 1.67 29.54 63.85 3.58 0.01 0.01 0.02 83 L H H 97.32 2.13 11.13 14.21 93.84 62.42 -65.34 -40.30 20.82 0.15 79.03 7.34 4.25 8.48 57.91 21.85 0.01 0.07 0.08 84 P H H 85.13 2.08 10.52 13.58 93.96 52.65 -68.47 -30.84 16.39 0.19 83.42 6.62 1.76 6.77 57.11 27.55 0.01 0.11 0.07 85 Q H H 124.53 1.83 9.40 12.35 95.49 57.37 -74.56 -23.65 14.40 0.31 85.29 4.46 1.82 6.64 55.08 31.71 0.01 0.19 0.09 86 V H H 116.35 1.30 8.46 10.50 97.58 62.23 -78.49 -21.47 29.14 0.94 69.92 10.18 4.81 13.39 50.25 20.37 0.08 0.53 0.40 87 L C C 131.88 1.16 8.10 10.03 101.93 57.53 -85.60 -9.55 57.34 1.65 41.01 35.09 2.09 20.74 33.14 7.11 0.01 0.82 1.00 88 Y C C 160.33 3.02 9.46 14.07 107.43 69.84 -90.54 82.28 99.95 0.03 0.02 99.88 0.05 0.04 0.01 0.00 0.00 0.01 0.00