# 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 L C C 78.90 9.58 10.44 20.91 116.71 -147.15 -88.47 142.88 99.90 0.09 0.02 99.33 0.57 0.03 0.01 0.00 0.00 0.03 0.03 1 D C C 93.23 2.60 14.39 17.49 110.56 -111.45 -77.14 129.70 98.94 0.09 0.97 98.62 0.27 0.10 0.93 0.02 0.00 0.02 0.05 2 P H H 78.53 6.83 10.55 18.88 93.56 -131.34 -61.06 -35.63 4.90 0.01 95.09 1.53 0.53 2.31 95.05 0.57 0.00 0.00 0.00 3 Q H H 105.42 4.91 12.75 18.95 92.57 54.58 -65.49 -38.68 2.01 0.01 97.98 0.51 0.21 1.11 97.59 0.57 0.00 0.00 0.00 4 I H H 101.11 2.44 15.12 17.89 92.51 49.40 -65.96 -40.64 0.50 0.01 99.50 0.18 0.06 0.22 99.15 0.39 0.00 0.00 0.00 5 V H H 73.16 4.09 15.87 20.91 92.24 49.15 -64.59 -42.63 0.30 0.01 99.69 0.11 0.03 0.12 99.61 0.12 0.00 0.00 0.00 6 I H H 63.95 8.62 15.44 25.18 92.12 48.37 -64.48 -42.19 0.39 0.00 99.61 0.11 0.03 0.20 99.56 0.09 0.00 0.00 0.00 7 S H H 50.83 5.61 16.97 23.63 91.86 49.55 -64.18 -41.37 0.88 0.00 99.11 0.14 0.06 0.55 99.13 0.11 0.00 0.00 0.00 8 G H H 39.01 2.80 19.51 21.76 91.98 49.42 -65.15 -41.20 2.13 0.00 97.87 0.28 0.16 1.41 98.03 0.12 0.00 0.00 0.00 9 S H H 47.45 6.08 18.09 24.94 92.71 49.64 -65.69 -41.20 2.38 0.01 97.62 0.51 0.25 1.33 97.79 0.12 0.00 0.00 0.00 10 T H H 45.91 10.24 16.81 27.80 92.56 50.27 -64.76 -41.55 1.34 0.00 98.65 0.31 0.14 0.74 98.71 0.10 0.00 0.00 0.00 11 A H H 55.62 4.26 18.95 23.67 91.98 51.15 -63.64 -41.59 0.83 0.00 99.16 0.19 0.07 0.46 99.17 0.11 0.00 0.00 0.00 12 A H H 60.58 2.68 19.63 21.64 91.90 50.00 -64.45 -41.48 0.49 0.00 99.50 0.10 0.03 0.27 99.46 0.13 0.00 0.00 0.00 13 F H H 88.71 7.58 17.12 25.55 92.05 49.90 -64.91 -41.41 0.52 0.00 99.48 0.09 0.03 0.33 99.32 0.22 0.00 0.00 0.00 14 L H H 71.28 8.35 16.57 25.68 91.97 50.71 -64.28 -41.52 0.64 0.00 99.36 0.06 0.03 0.46 99.13 0.31 0.00 0.00 0.00 15 A H H 60.22 2.64 18.62 20.97 91.77 50.90 -63.79 -42.50 1.55 0.01 98.43 0.14 0.09 1.23 97.99 0.54 0.00 0.01 0.00 16 I H H 87.42 3.63 17.75 21.64 91.88 49.22 -65.01 -40.30 3.84 0.04 96.12 0.43 0.30 3.02 94.39 1.81 0.01 0.02 0.01 17 G H H 21.52 10.69 13.48 25.42 92.38 52.42 -65.56 -39.28 13.08 0.06 86.86 0.87 0.76 11.52 82.46 4.30 0.04 0.03 0.03 18 R H H 128.44 5.34 16.03 22.36 93.29 50.73 -69.04 -31.16 24.35 0.20 75.45 1.50 1.84 21.16 69.69 5.44 0.15 0.10 0.12 19 F H H 130.68 2.75 16.14 19.05 100.16 46.15 -86.64 -18.11 33.82 2.00 64.17 5.16 6.02 23.38 54.13 8.23 1.01 1.03 1.03 20 V C T 84.14 5.23 14.65 20.83 99.80 44.32 -77.95 -20.97 52.63 2.79 44.57 7.31 7.70 36.12 34.87 10.45 0.64 1.64 1.27 21 F C H 100.44 7.48 14.13 22.69 100.53 46.80 -86.73 -2.34 50.14 3.45 46.41 12.66 8.13 29.10 33.91 12.18 0.46 2.06 1.48 22 L H H 72.49 8.71 13.74 23.68 101.41 103.11 -70.73 -28.51 42.91 2.91 54.17 14.77 10.03 20.25 41.31 10.47 0.33 1.62 1.22 23 G H H 34.12 6.25 14.87 22.38 97.24 47.06 -66.81 -23.45 46.87 1.46 51.68 21.93 7.34 18.91 41.55 8.78 0.05 0.79 0.64 24 Y H H 120.12 4.90 14.55 20.58 95.17 67.31 -68.13 -37.20 30.11 1.64 68.26 13.37 6.50 11.90 53.46 13.05 0.15 0.91 0.66 25 Q H H 94.23 5.19 14.43 20.82 94.64 53.58 -68.21 -35.44 28.91 2.20 68.88 13.20 5.98 11.44 55.32 11.79 0.16 1.35 0.77 26 R H H 117.71 7.21 13.05 21.31 95.52 52.89 -71.50 -30.10 32.67 2.76 64.57 16.16 6.31 11.77 50.51 12.47 0.12 1.65 1.01 27 R H H 146.01 4.46 13.46 19.41 94.46 62.50 -68.45 -27.91 42.50 1.70 55.81 14.17 7.55 21.87 44.66 9.91 0.14 0.97 0.74 28 E C H 142.60 1.73 15.10 16.84 98.20 47.20 -91.57 -0.04 57.39 1.43 41.18 18.81 8.65 30.65 31.88 8.48 0.05 0.70 0.77 29 A C C 39.88 11.40 8.69 20.81 114.89 111.96 -79.57 142.62 79.96 1.63 18.41 45.37 21.59 12.84 14.77 3.83 0.01 0.65 0.95 30 N C C 96.97 3.30 15.77 19.69 109.05 -138.99 -94.10 109.40 86.17 2.16 11.67 65.90 10.17 9.42 8.99 3.14 0.00 0.97 1.41 31 F H H 89.22 12.13 10.36 22.75 95.68 -161.08 -68.42 -32.33 34.44 1.48 64.08 18.53 8.47 9.74 48.13 13.65 0.07 0.75 0.66 32 D H H 106.07 3.23 13.80 18.52 92.81 64.82 -65.93 -29.64 26.75 0.78 72.46 8.12 4.86 13.29 51.18 21.69 0.10 0.48 0.29 33 S H H 79.75 2.33 14.16 17.00 96.95 49.55 -81.39 -19.31 27.18 1.14 71.68 8.77 5.11 12.93 49.95 22.02 0.13 0.69 0.40 34 T H H 73.72 7.24 13.38 21.63 101.51 48.27 -92.42 -20.03 36.15 1.91 61.94 12.49 9.16 16.48 46.32 13.43 0.23 0.99 0.88 35 V C S 61.50 10.98 11.36 22.93 105.04 52.60 -96.03 7.96 67.08 3.55 29.37 26.08 26.43 16.41 22.70 4.69 0.13 1.25 2.30 36 G C C 31.19 6.27 14.70 22.33 125.72 -137.33 89.78 175.79 96.05 2.62 1.33 60.44 33.19 2.56 0.65 0.62 0.00 1.11 1.43 37 P C C 88.11 4.89 13.55 19.85 111.45 -56.35 -69.26 144.54 90.13 4.18 5.69 65.20 14.91 9.63 1.96 3.72 0.00 2.00 2.57 38 K C C 120.12 6.26 10.10 18.02 114.12 -126.03 -85.85 138.75 84.82 7.09 8.10 57.72 15.00 11.49 2.62 5.51 0.01 3.43 4.22 39 T C T 103.87 2.89 9.81 14.39 104.31 -130.21 -85.01 16.56 82.99 5.97 11.03 28.06 24.42 31.56 2.70 7.45 0.04 2.92 2.83 40 T C T 106.00 1.88 10.93 13.57 100.64 41.69 -91.86 9.11 89.85 1.58 8.58 17.33 25.74 47.19 2.05 6.00 0.01 0.79 0.90 41 G C S 55.64 2.33 11.80 15.37 100.02 -92.79 83.86 3.23 90.81 2.51 6.68 27.65 39.28 24.60 1.82 4.16 0.00 1.16 1.32 42 A C C 51.86 5.83 11.11 18.94 119.34 122.98 -89.38 147.64 84.65 7.56 7.79 54.74 25.65 4.17 5.96 2.03 0.01 3.18 4.26 43 T C C 60.45 5.15 15.47 21.87 119.14 -116.67 -81.90 159.50 77.70 7.70 14.61 63.32 10.06 3.42 13.82 2.02 0.01 3.67 3.68 44 Y H H 92.71 12.00 13.73 26.26 93.44 -111.69 -61.45 -37.82 15.13 0.92 83.95 7.83 3.80 5.49 78.66 3.31 0.07 0.53 0.30 45 F H H 94.97 7.72 16.38 25.00 92.78 52.72 -64.96 -40.61 8.68 0.35 90.97 3.05 1.53 4.82 86.52 3.68 0.05 0.25 0.09 46 D H H 77.38 2.69 18.76 21.15 92.08 49.84 -65.49 -40.53 6.49 0.26 93.25 2.81 1.09 3.14 88.77 3.91 0.02 0.19 0.06 47 D H H 44.28 8.11 15.20 25.13 92.34 50.98 -65.66 -39.69 6.12 0.23 93.65 2.83 1.09 2.79 89.98 3.06 0.02 0.15 0.06 48 L H H 44.63 12.73 13.56 27.06 92.69 51.38 -65.96 -39.22 7.71 0.27 92.02 3.11 1.28 3.89 88.48 2.97 0.03 0.18 0.08 49 Q H H 104.71 4.01 16.96 21.76 92.43 52.68 -65.63 -38.87 11.81 0.35 87.84 4.69 1.95 5.89 83.95 3.15 0.03 0.21 0.11 50 K H H 129.94 2.09 17.96 19.60 93.24 49.31 -68.56 -37.93 19.90 0.44 79.66 6.28 3.73 10.89 75.36 3.25 0.06 0.22 0.19 51 N H H 67.96 8.73 14.45 24.19 96.01 45.45 -77.78 -27.91 36.15 0.75 63.10 14.51 6.46 16.63 58.40 3.23 0.04 0.33 0.39 52 S C H 39.45 11.75 11.84 24.28 94.52 64.57 -67.88 -30.03 53.29 1.23 45.48 36.97 7.30 9.51 39.07 6.00 0.00 0.62 0.53 53 T C C 87.20 3.83 15.72 20.53 94.45 63.60 -69.57 -28.07 52.60 1.90 45.50 33.79 7.17 11.89 33.60 11.69 0.01 1.09 0.74 54 I C H 98.55 5.23 14.98 21.36 95.79 56.78 -75.02 -25.08 50.43 3.27 46.30 25.70 9.08 15.89 31.84 14.31 0.06 2.03 1.09 55 F C C 95.20 10.64 12.56 23.69 104.67 55.62 -91.27 19.07 55.94 6.69 37.37 31.98 9.27 15.13 25.35 11.76 0.08 4.41 2.02 56 A C C 66.47 6.79 14.26 22.34 113.23 88.49 -89.85 121.34 68.52 10.69 20.79 42.31 11.95 14.06 14.68 6.55 0.06 7.10 3.29 57 T C C 59.44 10.10 11.50 22.42 122.86 105.26 -116.38 148.98 81.55 11.63 6.82 57.94 14.76 8.62 4.59 2.50 0.01 7.03 4.54 58 N C S 126.48 2.50 15.29 18.69 99.01 -139.23 -88.11 6.66 93.53 4.18 2.29 42.16 42.40 9.50 0.92 1.21 0.00 2.59 1.22 59 D C C 64.77 8.57 13.08 23.24 112.09 104.21 -93.83 119.27 94.72 2.39 2.89 51.68 39.93 3.39 1.73 0.97 0.00 1.01 1.30 60 P C T 79.97 8.25 15.17 24.53 95.11 -141.08 -64.71 -20.47 67.00 1.23 31.77 19.90 10.01 37.41 14.23 17.08 0.02 0.63 0.73 61 A C T 54.10 9.38 16.39 26.23 97.14 68.71 -79.40 -14.34 61.29 1.64 37.06 12.63 8.62 38.98 18.32 19.46 0.10 0.88 1.01 62 G C C 25.85 11.95 17.71 29.73 101.14 64.00 -59.72 -24.25 53.42 3.32 43.26 25.58 11.92 16.77 22.94 19.41 0.11 1.70 1.57 63 F C C 64.47 15.60 17.23 32.04 103.37 76.08 -86.84 26.66 56.40 4.03 39.56 41.55 9.05 6.65 33.60 5.49 0.03 2.06 1.58 64 N H H 54.63 13.15 21.57 33.99 107.32 117.12 -79.71 -84.51 39.50 3.27 57.23 26.78 9.08 5.47 53.92 2.09 0.05 1.36 1.27 65 I H H 69.61 13.61 21.61 34.20 93.20 20.19 -64.80 -39.67 4.10 0.23 95.67 1.41 0.84 2.06 94.49 0.99 0.03 0.13 0.05 66 I H H 62.98 10.88 23.22 33.96 92.23 50.99 -65.34 -42.13 1.82 0.19 97.99 0.60 0.28 1.00 96.96 0.99 0.02 0.14 0.02 67 D H H 31.45 16.37 22.24 37.93 91.84 49.98 -64.88 -42.12 1.94 0.19 97.87 0.68 0.27 1.10 96.48 1.29 0.02 0.15 0.03 68 V H H 27.79 18.54 22.61 39.97 92.01 48.48 -65.10 -42.44 2.59 0.15 97.26 0.56 0.31 1.75 95.83 1.40 0.02 0.10 0.03 69 A H H 38.70 12.22 24.92 36.87 92.07 49.35 -65.22 -41.30 5.82 0.13 94.05 0.77 0.60 4.53 92.21 1.72 0.05 0.07 0.05 70 G H H 21.97 11.74 24.74 36.55 91.89 50.48 -65.17 -41.05 20.16 0.15 79.69 1.75 1.54 16.89 77.28 2.32 0.07 0.07 0.09 71 W H H 67.84 16.76 24.77 40.09 92.76 48.03 -68.89 -38.36 31.53 0.34 68.13 3.85 3.55 24.22 64.37 3.51 0.12 0.16 0.21 72 G H H 15.44 17.58 22.93 39.21 93.09 54.81 -65.34 -42.80 37.42 0.55 62.03 6.79 5.66 25.37 58.26 3.22 0.13 0.24 0.32 73 A H H 43.27 10.66 26.08 36.62 92.80 48.08 -66.52 -41.61 22.33 0.47 77.19 6.48 3.61 13.17 73.60 2.57 0.08 0.22 0.27 74 L H H 63.55 10.49 26.85 37.47 92.45 48.78 -65.07 -41.84 7.53 0.11 92.35 2.01 1.28 4.45 90.84 1.30 0.03 0.05 0.05 75 G H H 10.56 18.46 22.66 40.48 91.96 51.23 -64.25 -42.20 4.75 0.06 95.19 1.33 0.66 2.82 94.02 1.09 0.01 0.03 0.03 76 H H H 57.11 15.41 24.66 39.11 91.98 50.31 -64.09 -41.80 3.39 0.10 96.50 1.16 0.52 1.87 95.51 0.83 0.01 0.05 0.04 77 A H H 42.51 9.33 26.53 36.14 91.87 49.56 -64.32 -42.81 1.24 0.02 98.73 0.37 0.14 0.67 98.50 0.30 0.00 0.01 0.01 78 V H H 47.23 12.01 26.37 38.37 91.79 48.02 -64.53 -42.53 0.54 0.01 99.45 0.13 0.05 0.29 99.40 0.12 0.00 0.00 0.00 79 G H H 9.40 18.06 22.09 40.06 91.73 51.37 -63.52 -42.86 0.31 0.00 99.69 0.05 0.02 0.18 99.67 0.07 0.00 0.00 0.00 80 F H H 72.96 11.57 25.21 36.72 91.63 49.34 -63.66 -42.24 0.15 0.00 99.85 0.02 0.01 0.09 99.85 0.04 0.00 0.00 0.00 81 A H H 42.19 8.41 24.86 33.49 91.74 50.09 -63.90 -42.61 0.12 0.00 99.88 0.01 0.01 0.08 99.88 0.03 0.00 0.00 0.00 82 V H H 39.65 12.86 22.55 35.47 91.88 49.35 -64.61 -42.72 0.16 0.00 99.84 0.01 0.01 0.10 99.84 0.03 0.00 0.00 0.00 83 L H H 45.16 13.09 21.05 34.19 91.85 49.62 -64.02 -42.53 0.27 0.00 99.73 0.03 0.01 0.19 99.71 0.07 0.00 0.00 0.00 84 A H H 43.77 7.31 20.61 28.40 91.92 49.79 -64.28 -41.62 0.96 0.00 99.04 0.09 0.05 0.71 98.96 0.19 0.00 0.00 0.00 85 I H H 71.27 6.88 18.63 26.23 92.35 48.80 -65.75 -40.70 3.05 0.01 96.94 0.37 0.24 2.24 96.61 0.52 0.00 0.00 0.00 86 N H H 69.87 8.70 16.20 25.67 92.50 51.82 -67.04 -36.95 9.53 0.05 90.43 1.49 0.95 6.79 89.20 1.51 0.01 0.02 0.02 87 S H H 61.18 6.39 14.42 21.75 93.91 54.01 -71.39 -26.18 25.14 0.17 74.69 4.59 2.54 17.74 72.25 2.68 0.03 0.07 0.10 88 L H H 108.62 4.42 12.22 17.73 96.96 56.94 -79.29 -16.69 39.56 0.80 59.64 12.70 5.88 22.11 55.63 2.88 0.05 0.34 0.42 89 Q C C 128.66 2.82 10.38 14.75 102.78 63.89 -85.09 9.44 63.44 0.93 35.62 37.77 2.08 21.62 35.94 1.68 0.00 0.39 0.52 90 G C C 52.39 3.45 13.01 17.88 110.12 57.50 -61.25 89.02 99.94 0.03 0.03 99.78 0.09 0.10 0.02 0.00 0.00 0.01 0.00