# 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 93.14 7.23 11.78 20.40 116.64 -140.49 -88.65 139.72 99.98 0.01 0.01 99.92 0.04 0.02 0.01 0.00 0.00 0.00 0.00 1 P C C 81.16 3.71 11.79 16.93 110.07 -110.51 -67.43 149.49 71.28 0.44 28.28 62.12 0.95 7.52 27.53 1.47 0.00 0.17 0.25 2 I H H 120.64 3.00 10.35 14.72 95.03 -113.81 -65.89 -34.68 41.67 0.48 57.85 20.91 7.73 13.33 55.14 2.43 0.01 0.18 0.28 3 S H H 72.79 2.00 12.54 14.96 94.67 55.95 -68.30 -37.27 22.16 0.27 77.58 12.46 3.94 6.44 74.30 2.62 0.01 0.11 0.12 4 A H H 56.91 3.55 12.37 17.33 93.57 54.06 -66.51 -39.35 8.53 0.11 91.36 4.63 1.37 2.84 88.88 2.17 0.01 0.06 0.03 5 T H H 70.15 4.99 12.90 19.36 93.46 50.91 -66.87 -39.70 6.07 0.13 93.80 3.05 0.87 2.45 91.70 1.81 0.01 0.08 0.03 6 M H H 104.62 3.22 15.34 19.14 92.89 50.60 -65.65 -40.85 3.74 0.09 96.17 1.51 0.55 1.78 94.91 1.15 0.01 0.05 0.02 7 V H H 86.83 2.23 16.95 18.86 92.55 49.84 -64.94 -41.70 2.22 0.04 97.74 0.77 0.30 1.10 97.22 0.57 0.01 0.02 0.01 8 G H H 31.05 4.68 15.66 21.68 92.31 50.15 -64.13 -41.76 2.53 0.02 97.46 0.63 0.25 1.47 97.01 0.63 0.00 0.01 0.00 9 A H H 46.19 6.37 15.39 23.17 92.08 50.75 -64.55 -41.09 2.87 0.01 97.12 0.45 0.23 1.95 96.62 0.73 0.01 0.00 0.00 10 L H H 93.06 3.22 17.95 21.40 92.15 50.10 -64.98 -41.35 2.59 0.01 97.40 0.40 0.23 1.70 97.07 0.58 0.00 0.00 0.00 11 L H H 98.56 2.14 18.77 20.16 92.18 49.50 -64.87 -41.69 2.97 0.01 97.01 0.47 0.27 1.92 96.90 0.42 0.00 0.00 0.00 12 G H H 28.64 5.79 16.30 23.48 92.33 50.64 -63.55 -42.28 3.86 0.01 96.13 0.51 0.29 2.73 96.08 0.37 0.00 0.00 0.01 13 L H H 75.53 6.23 16.88 24.04 92.35 49.27 -64.71 -41.39 1.27 0.00 98.73 0.20 0.11 0.76 98.67 0.26 0.00 0.00 0.00 14 G H H 36.96 3.16 18.17 21.54 91.99 50.81 -63.47 -41.91 0.91 0.00 99.09 0.15 0.07 0.52 99.09 0.17 0.00 0.00 0.00 15 T H H 73.14 2.56 18.24 20.44 92.22 49.49 -64.91 -41.42 0.98 0.00 99.01 0.16 0.07 0.58 99.03 0.16 0.00 0.00 0.00 16 Q H H 85.89 5.93 16.76 23.64 92.21 50.10 -65.09 -41.03 1.06 0.00 98.94 0.16 0.08 0.68 98.93 0.16 0.00 0.00 0.00 17 M H H 85.58 5.85 16.33 23.23 92.28 50.12 -64.42 -41.50 1.13 0.00 98.87 0.18 0.09 0.70 98.83 0.20 0.00 0.00 0.00 18 Y H H 132.58 2.06 18.28 19.54 92.12 49.74 -64.93 -41.50 1.47 0.01 98.52 0.26 0.12 0.92 98.38 0.31 0.00 0.00 0.00 19 S H H 49.92 3.38 16.17 20.30 92.24 50.52 -64.97 -41.40 2.35 0.01 97.64 0.39 0.21 1.57 97.28 0.53 0.01 0.00 0.01 20 N H H 50.03 6.67 12.81 21.64 92.52 50.29 -64.94 -39.71 4.41 0.02 95.58 0.70 0.43 3.10 94.54 1.21 0.01 0.01 0.01 21 A H H 58.58 3.92 13.32 18.63 92.23 51.90 -64.68 -39.52 7.11 0.02 92.87 0.74 0.55 5.59 90.81 2.26 0.02 0.01 0.01 22 L H H 123.39 1.34 13.40 14.51 92.49 50.92 -68.04 -31.52 17.00 0.05 82.95 1.14 1.25 14.69 79.90 2.93 0.04 0.02 0.04 23 R C T 149.64 2.38 11.81 15.16 95.72 52.20 -86.27 -0.94 68.35 0.10 31.55 2.00 3.56 61.41 30.43 2.46 0.01 0.03 0.09 24 K C T 158.54 1.91 12.68 15.71 96.69 -118.82 59.41 36.28 87.98 0.08 11.94 7.97 4.78 75.08 10.31 1.77 0.00 0.03 0.07 25 L C C 72.99 6.85 9.10 18.01 115.89 161.81 -90.32 134.24 85.24 0.25 14.52 67.96 13.68 4.17 8.96 4.89 0.00 0.07 0.26 26 P C C 83.11 3.51 12.60 17.43 105.81 -117.75 -65.15 136.10 60.13 0.35 39.52 38.49 5.91 14.08 9.98 31.17 0.00 0.17 0.21 27 Y H G 146.47 5.02 10.32 16.99 95.85 -126.66 -72.30 -17.88 46.04 0.63 53.33 15.35 8.08 22.49 11.09 42.31 0.01 0.30 0.37 28 M H G 119.87 3.84 10.83 16.06 96.98 65.35 -82.99 -4.29 46.76 0.79 52.44 17.44 9.38 20.36 10.08 41.90 0.01 0.36 0.47 29 R C S 154.05 3.03 11.87 16.23 99.99 82.99 -81.77 -12.81 69.04 0.75 30.21 20.60 28.49 21.02 8.30 20.57 0.01 0.28 0.73 30 H C C 99.84 4.32 11.84 17.79 111.05 25.87 -120.57 94.64 97.66 0.26 2.07 72.69 23.47 1.55 1.42 0.56 0.00 0.07 0.25 31 P H H 77.20 6.25 10.63 18.93 93.21 -156.33 -61.37 -34.98 24.01 0.12 75.88 11.35 2.68 10.11 72.47 3.27 0.00 0.04 0.08 32 W H H 178.50 1.37 14.96 15.81 91.77 55.83 -64.93 -37.68 8.21 0.01 91.77 1.27 0.77 5.77 89.55 2.63 0.01 0.01 0.01 33 E H H 95.43 3.27 15.30 19.37 91.96 51.51 -65.81 -39.13 1.74 0.00 98.26 0.40 0.16 0.98 96.59 1.86 0.00 0.00 0.00 34 H H H 58.39 10.19 12.23 23.79 92.30 50.80 -64.91 -41.05 0.60 0.00 99.40 0.14 0.05 0.32 98.70 0.79 0.00 0.00 0.00 35 V H H 78.96 3.64 16.74 21.12 91.74 49.54 -64.65 -41.99 0.36 0.00 99.64 0.06 0.03 0.21 99.38 0.32 0.00 0.00 0.00 36 V H H 91.25 1.62 18.65 18.87 91.81 48.92 -64.34 -41.74 0.36 0.00 99.64 0.05 0.02 0.23 99.48 0.21 0.00 0.00 0.00 37 G H H 28.81 5.54 15.89 22.94 91.75 50.00 -64.27 -41.56 0.82 0.00 99.18 0.10 0.05 0.58 99.02 0.25 0.00 0.00 0.00 38 M H H 80.31 6.92 15.97 24.04 91.86 49.53 -64.61 -41.15 1.33 0.00 98.67 0.14 0.08 1.00 98.49 0.28 0.00 0.00 0.00 39 G H H 38.00 2.68 18.02 20.64 92.01 50.37 -63.89 -41.92 1.50 0.00 98.50 0.19 0.11 1.06 98.42 0.22 0.00 0.00 0.00 40 L H H 94.75 2.00 19.02 19.95 92.07 48.81 -64.85 -41.67 0.65 0.00 99.35 0.09 0.04 0.42 99.30 0.15 0.00 0.00 0.00 41 G H H 27.93 5.48 16.13 23.05 91.99 50.45 -63.72 -41.67 0.53 0.00 99.47 0.07 0.03 0.34 99.42 0.14 0.00 0.00 0.00 42 A H H 49.27 4.53 16.31 22.03 91.79 50.34 -64.04 -41.69 0.36 0.00 99.64 0.04 0.02 0.23 99.61 0.10 0.00 0.00 0.00 43 V H H 85.04 2.04 18.18 19.47 91.90 49.62 -63.96 -42.39 0.35 0.00 99.65 0.04 0.02 0.23 99.64 0.07 0.00 0.00 0.00 44 F H H 116.42 2.11 18.04 19.42 91.89 49.08 -64.53 -42.15 0.29 0.00 99.71 0.03 0.01 0.18 99.71 0.06 0.00 0.00 0.00 45 A H H 48.56 4.40 15.55 21.06 91.87 50.22 -63.52 -41.39 0.36 0.00 99.64 0.03 0.01 0.24 99.64 0.07 0.00 0.00 0.00 46 N H H 82.47 3.26 16.23 20.08 92.17 50.13 -65.08 -40.36 0.77 0.00 99.23 0.05 0.03 0.58 99.24 0.10 0.00 0.00 0.00 47 Q H H 99.52 2.06 16.84 18.51 92.03 50.52 -64.57 -41.15 0.53 0.00 99.47 0.04 0.02 0.37 99.49 0.08 0.00 0.00 0.00 48 L H H 88.75 2.44 16.38 18.84 92.09 50.47 -64.53 -41.39 0.34 0.00 99.66 0.04 0.02 0.21 99.65 0.08 0.00 0.00 0.00 49 V H H 73.25 3.40 15.30 19.53 91.82 49.98 -64.19 -41.41 0.40 0.00 99.60 0.05 0.02 0.26 99.58 0.09 0.00 0.00 0.00 50 K H H 118.06 1.99 16.53 18.26 91.69 50.26 -64.47 -41.16 0.41 0.00 99.59 0.05 0.02 0.27 99.56 0.10 0.00 0.00 0.00 51 W H H 138.50 1.91 16.33 17.80 92.02 49.61 -64.31 -41.59 0.37 0.00 99.63 0.05 0.02 0.24 99.61 0.08 0.00 0.00 0.00 52 D H H 73.73 2.94 15.56 19.06 92.08 50.14 -64.23 -41.24 0.47 0.00 99.53 0.09 0.03 0.27 99.52 0.08 0.00 0.00 0.00 53 V H H 74.87 2.53 15.61 18.47 91.92 49.81 -64.27 -41.63 0.45 0.00 99.55 0.09 0.03 0.26 99.53 0.08 0.00 0.00 0.00 54 K H H 118.12 1.61 16.58 17.35 92.02 49.99 -64.33 -41.18 0.52 0.00 99.48 0.10 0.04 0.30 99.47 0.09 0.00 0.00 0.00 55 L H H 84.79 2.48 15.21 18.12 92.02 50.17 -64.31 -40.90 0.57 0.00 99.43 0.11 0.04 0.32 99.44 0.09 0.00 0.00 0.00 56 K H H 116.76 2.15 15.61 17.75 92.07 50.56 -64.52 -40.98 0.36 0.00 99.64 0.07 0.02 0.19 99.65 0.06 0.00 0.00 0.00 57 E H H 107.38 1.69 15.99 17.02 91.94 49.91 -64.67 -40.96 0.27 0.00 99.73 0.04 0.02 0.15 99.75 0.05 0.00 0.00 0.00 58 D H H 84.31 1.87 15.76 17.30 92.06 49.54 -64.84 -40.46 0.33 0.00 99.67 0.05 0.02 0.18 99.69 0.05 0.00 0.00 0.00 59 L H H 86.99 2.53 14.73 17.78 91.79 49.97 -64.43 -40.86 0.21 0.00 99.79 0.03 0.01 0.12 99.80 0.04 0.00 0.00 0.00 60 D H H 87.42 1.70 15.80 16.96 92.07 50.54 -64.50 -40.28 0.21 0.00 99.79 0.03 0.01 0.11 99.82 0.03 0.00 0.00 0.00 61 V H H 82.74 1.81 15.64 17.03 92.04 49.96 -64.67 -41.38 0.26 0.00 99.74 0.03 0.01 0.14 99.77 0.04 0.00 0.00 0.00 62 M H H 98.29 2.26 15.20 17.66 91.98 49.62 -64.32 -41.46 0.31 0.00 99.69 0.04 0.02 0.16 99.73 0.05 0.00 0.00 0.00 63 L H H 90.94 2.12 15.13 17.34 91.95 49.69 -64.47 -41.03 0.40 0.00 99.59 0.07 0.03 0.21 99.65 0.06 0.00 0.00 0.00 64 A H H 59.24 1.85 15.42 17.01 91.76 50.61 -63.95 -41.05 0.59 0.00 99.41 0.10 0.04 0.31 99.49 0.07 0.00 0.00 0.00 65 K H H 124.79 1.65 15.72 16.90 91.98 49.49 -65.41 -40.33 0.75 0.00 99.25 0.13 0.05 0.39 99.33 0.09 0.00 0.00 0.00 66 A H H 56.75 2.48 14.43 17.54 91.72 50.52 -64.49 -41.21 0.92 0.00 99.08 0.20 0.07 0.45 99.16 0.12 0.00 0.00 0.00 67 R H H 141.16 1.50 15.92 16.67 91.77 50.08 -65.01 -40.43 1.38 0.00 98.62 0.32 0.11 0.70 98.69 0.19 0.00 0.00 0.00 68 A H H 56.07 1.99 14.89 16.96 91.81 50.33 -64.27 -40.58 1.93 0.00 98.07 0.43 0.17 1.03 98.06 0.30 0.00 0.00 0.00 69 A H H 53.50 2.33 13.86 16.92 91.69 50.82 -63.96 -41.01 3.17 0.01 96.82 0.75 0.31 1.75 96.60 0.57 0.00 0.00 0.00 70 N H H 89.68 1.84 14.00 15.89 92.23 50.45 -65.82 -39.43 6.80 0.03 93.17 1.72 0.71 3.97 92.35 1.23 0.00 0.01 0.01 71 E H H 114.92 1.59 13.30 14.81 92.33 51.63 -65.84 -39.15 10.86 0.05 89.10 2.92 1.34 6.35 86.49 2.85 0.01 0.02 0.02 72 R H H 145.68 1.64 12.21 14.15 92.72 51.38 -67.32 -36.91 16.71 0.09 83.20 5.45 2.14 8.95 77.91 5.43 0.01 0.04 0.05 73 R H H 152.14 1.57 11.37 13.39 93.58 54.01 -67.85 -33.18 27.43 0.17 72.40 7.18 3.35 16.43 65.14 7.70 0.02 0.08 0.10 74 Y H H 161.71 1.36 10.61 12.29 95.56 52.37 -73.85 -26.88 41.04 0.41 58.55 12.75 6.14 22.79 50.52 7.31 0.04 0.18 0.27 75 F C H 141.46 1.93 9.24 12.23 101.89 54.79 -86.59 -6.41 55.10 1.06 43.84 25.36 14.10 17.25 37.26 4.92 0.04 0.39 0.69 76 D C C 100.12 2.45 8.64 12.59 105.98 79.85 -80.91 74.76 66.28 0.65 33.07 38.84 10.65 17.12 24.26 8.40 0.00 0.28 0.44 77 E C C 140.86 1.95 8.13 11.48 102.69 119.03 -84.35 10.92 66.16 0.65 33.20 30.99 13.85 22.15 18.46 13.79 0.01 0.27 0.49 78 D C C 117.26 1.45 7.92 10.55 104.33 81.78 -86.03 39.28 72.14 0.70 27.17 38.56 13.57 20.71 13.79 12.54 0.00 0.30 0.52 79 R C C 169.18 1.93 7.42 10.99 108.53 136.74 -88.10 97.30 86.20 0.47 13.34 74.17 2.37 11.54 6.90 4.47 0.00 0.22 0.32 80 D C C 113.51 2.13 9.60 13.29 108.32 -139.53 -86.45 110.53 99.97 0.01 0.02 99.88 0.06 0.04 0.01 0.00 0.00 0.01 0.00