# 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 121.30 4.73 11.49 17.70 115.59 -166.31 -94.79 134.38 99.85 0.14 0.01 99.77 0.12 0.03 0.00 0.00 0.00 0.06 0.02 1 A C C 79.76 3.65 9.09 14.54 113.67 -157.27 -89.74 138.25 94.35 3.96 1.69 89.57 1.55 3.56 0.66 0.69 0.00 2.16 1.80 2 G C C 50.42 3.40 8.45 13.56 115.17 -120.36 -92.02 173.11 90.94 4.95 4.11 56.41 20.11 14.47 1.05 3.03 0.00 2.63 2.31 3 T C C 115.08 1.40 9.19 11.52 102.74 -91.87 -84.13 -1.65 88.51 4.56 6.93 39.71 28.45 20.85 1.52 5.14 0.00 2.21 2.11 4 T C C 102.58 2.28 8.62 12.27 105.57 59.71 -91.30 20.30 88.51 2.64 8.85 30.73 28.45 29.91 1.74 6.60 0.00 1.23 1.32 5 G C C 50.80 3.11 9.95 14.59 109.42 -116.51 53.29 12.43 90.16 2.84 7.00 36.86 31.87 21.96 1.32 5.33 0.00 1.40 1.26 6 E C C 140.53 2.20 10.47 14.10 110.76 -49.67 -89.58 119.51 87.94 6.71 5.35 54.78 25.67 7.78 1.65 3.49 0.00 3.34 3.29 7 R C C 116.94 6.76 8.95 17.37 117.77 -134.33 -94.65 136.03 93.51 5.66 0.83 65.04 28.47 0.70 0.59 0.28 0.00 2.91 2.02 8 P C C 70.26 3.73 12.35 17.70 114.04 -107.22 -66.38 150.93 84.80 13.09 2.12 83.66 1.53 0.38 1.99 0.23 0.00 4.23 7.98 9 F H H 144.51 2.87 11.59 16.07 92.55 -113.13 -59.18 -36.64 6.41 0.05 93.54 1.59 0.99 3.83 90.38 3.15 0.01 0.02 0.02 10 S H H 67.61 2.67 13.46 16.97 92.07 55.62 -65.19 -37.03 2.55 0.02 97.43 0.49 0.26 1.65 94.15 3.44 0.00 0.01 0.01 11 D H H 72.06 4.58 13.39 19.44 92.66 52.12 -66.91 -38.48 1.06 0.02 98.93 0.31 0.12 0.56 95.36 3.64 0.00 0.01 0.00 12 I H H 84.59 4.13 14.02 19.44 92.68 51.07 -65.71 -41.22 1.41 0.03 98.56 0.36 0.16 0.81 96.70 1.94 0.00 0.02 0.01 13 I H H 92.63 2.81 15.63 18.74 92.79 48.81 -66.49 -40.99 3.87 0.13 95.99 0.98 0.50 2.35 94.92 1.12 0.01 0.08 0.03 14 T H H 62.03 4.32 14.88 20.48 93.14 49.41 -66.49 -40.76 12.28 0.24 87.48 3.13 1.73 6.96 87.09 0.87 0.01 0.11 0.09 15 S H H 51.28 4.62 14.73 20.74 92.88 52.56 -65.13 -40.90 16.80 0.31 82.88 6.24 2.38 7.21 83.19 0.73 0.01 0.13 0.11 16 V H H 83.87 2.49 16.32 18.82 92.32 49.54 -65.56 -41.49 5.22 0.11 94.67 2.04 0.77 2.17 94.53 0.40 0.00 0.05 0.03 17 R H H 127.85 2.98 16.07 19.58 92.30 50.26 -65.23 -40.76 2.09 0.06 97.85 0.79 0.23 1.01 97.61 0.30 0.00 0.04 0.01 18 Y H H 106.84 5.30 14.92 21.50 92.21 50.28 -65.10 -41.62 0.70 0.03 99.27 0.23 0.07 0.35 99.16 0.16 0.00 0.02 0.00 19 W H H 134.43 3.36 15.77 19.95 92.17 50.32 -64.51 -41.69 0.30 0.02 99.69 0.08 0.02 0.16 99.63 0.09 0.00 0.01 0.00 20 V H H 80.48 2.57 16.38 19.10 92.04 48.92 -64.71 -42.32 0.29 0.02 99.69 0.05 0.02 0.19 99.64 0.09 0.00 0.01 0.00 21 I H H 79.96 4.29 15.46 20.92 92.43 47.84 -65.62 -41.81 0.54 0.02 99.43 0.09 0.04 0.37 99.32 0.16 0.00 0.02 0.00 22 H H H 94.70 5.62 14.39 21.38 92.62 48.74 -66.64 -38.49 1.58 0.01 98.41 0.12 0.09 1.29 98.13 0.36 0.00 0.00 0.00 23 S H H 65.42 3.14 15.56 19.30 95.17 46.52 -74.94 -36.26 8.22 0.01 91.77 0.23 0.33 7.88 90.68 0.85 0.01 0.00 0.00 24 I H H 102.38 2.56 15.89 18.60 102.08 35.09 -91.88 -37.23 37.03 0.04 62.94 0.46 1.47 34.98 61.72 1.30 0.03 0.01 0.03 25 T H H 61.25 5.82 14.57 21.74 100.59 38.31 -88.92 -30.14 27.85 0.05 72.09 1.34 1.80 24.18 71.19 1.41 0.03 0.01 0.04 26 I H H 73.93 6.48 14.57 22.46 92.78 59.29 -63.03 -43.40 3.70 0.01 96.29 1.15 0.64 1.68 95.94 0.58 0.00 0.00 0.00 27 P H H 70.41 3.54 16.83 21.08 92.02 49.80 -64.24 -40.34 1.84 0.01 98.15 0.56 0.15 0.98 97.64 0.68 0.00 0.00 0.00 28 A H H 52.62 4.03 16.73 21.56 92.23 50.90 -65.30 -40.05 0.36 0.00 99.64 0.06 0.02 0.22 99.05 0.65 0.00 0.00 0.00 29 L H H 74.04 6.68 15.95 23.78 92.26 50.28 -65.36 -41.12 0.34 0.00 99.66 0.04 0.02 0.24 99.24 0.47 0.00 0.00 0.00 30 F H H 103.37 5.58 17.01 23.27 92.17 49.50 -65.22 -41.69 1.03 0.02 98.95 0.09 0.06 0.84 98.59 0.40 0.00 0.01 0.00 31 I H H 92.31 2.88 18.59 21.33 91.95 48.77 -64.65 -41.84 0.89 0.01 99.10 0.09 0.06 0.67 98.98 0.19 0.00 0.00 0.00 32 A H H 49.41 4.43 17.57 22.94 91.81 50.59 -63.84 -41.17 1.09 0.00 98.90 0.10 0.06 0.84 98.63 0.37 0.00 0.00 0.00 33 G H H 23.27 8.33 15.37 25.31 91.87 51.57 -64.34 -40.53 1.81 0.00 98.18 0.12 0.08 1.48 97.75 0.56 0.00 0.00 0.00 34 W H H 126.15 4.77 17.33 22.80 92.00 50.97 -64.59 -41.23 1.38 0.01 98.62 0.13 0.09 1.08 97.84 0.85 0.01 0.00 0.00 35 L H H 89.38 2.89 17.90 20.82 92.10 50.09 -65.33 -41.17 2.26 0.03 97.70 0.23 0.19 1.82 96.73 0.97 0.02 0.01 0.01 36 F H H 87.75 5.66 15.60 22.59 92.72 48.93 -65.95 -40.94 5.81 0.21 93.98 1.04 0.83 4.25 91.92 1.66 0.11 0.11 0.08 37 V H H 61.75 8.25 13.82 23.30 92.95 49.57 -66.18 -40.14 9.94 0.40 89.65 1.82 1.38 7.30 85.97 2.93 0.21 0.24 0.15 38 S H H 73.09 3.27 15.34 19.17 93.05 52.48 -68.72 -29.48 18.96 0.26 80.78 1.98 1.97 15.46 77.76 2.44 0.13 0.13 0.12 39 T C T 80.18 3.16 14.65 18.35 96.59 48.80 -87.70 -9.44 65.23 0.29 34.48 2.29 6.34 54.95 33.45 2.58 0.05 0.11 0.23 40 G C T 41.17 6.05 13.31 20.88 96.61 -115.04 77.36 4.33 81.87 0.38 17.75 7.89 10.04 62.41 17.10 2.14 0.01 0.15 0.25 41 L H H 85.92 4.04 14.85 20.11 95.22 114.35 -71.59 -34.32 38.67 0.58 60.75 20.24 6.35 13.09 52.12 7.58 0.02 0.28 0.30 42 A H H 35.12 8.28 12.69 22.73 95.01 56.50 -67.89 -36.47 22.20 0.77 77.03 8.22 4.09 10.99 65.36 10.43 0.13 0.47 0.32 43 Y H H 104.22 6.40 12.96 20.90 94.23 56.29 -68.42 -36.78 11.34 0.67 87.99 3.69 2.16 6.13 74.64 12.58 0.15 0.46 0.20 44 D H H 98.34 2.67 13.61 17.17 94.54 55.78 -70.29 -33.88 11.42 0.52 88.06 3.22 1.82 6.59 75.61 12.10 0.14 0.37 0.15 45 V H H 102.53 2.90 12.52 16.30 96.60 48.84 -74.80 -33.63 17.55 0.51 81.93 2.74 2.73 12.36 71.82 9.53 0.31 0.29 0.23 46 F H H 136.13 3.32 11.08 15.57 100.99 38.96 -97.55 -3.29 34.22 0.85 64.93 4.31 7.04 24.45 58.31 4.55 0.42 0.34 0.59 47 G C T 52.99 2.38 12.72 16.12 105.67 -109.08 81.75 11.92 97.75 0.76 1.50 33.48 25.57 38.96 0.62 0.68 0.00 0.37 0.32 48 T C C 80.79 4.71 11.01 17.48 121.61 64.58 -105.81 141.86 98.56 1.34 0.10 61.91 36.41 0.47 0.03 0.05 0.00 0.55 0.56 49 P C C 80.15 6.08 11.57 19.15 113.64 -105.36 -68.03 148.35 98.00 1.85 0.15 84.10 13.21 0.54 0.06 0.08 0.00 0.65 1.35 50 R C C 120.59 6.39 11.22 19.27 115.06 -121.11 -88.00 129.52 99.10 0.68 0.22 94.77 4.06 0.25 0.11 0.07 0.00 0.21 0.53 51 P C G 83.02 6.19 11.07 18.84 97.82 -123.93 -62.81 -26.71 52.84 0.82 46.34 25.67 6.84 20.14 17.55 28.92 0.00 0.41 0.46 52 D H G 108.27 3.03 11.80 16.05 98.31 60.79 -80.05 -4.07 43.37 0.56 56.06 10.95 6.57 24.30 23.94 33.60 0.02 0.29 0.34 53 S H G 70.15 3.84 12.00 17.21 100.62 79.88 -83.27 -4.60 37.95 0.91 61.14 11.75 7.66 17.94 26.97 34.72 0.03 0.47 0.46 54 Y C H 115.69 7.13 10.77 19.15 102.90 61.93 -90.73 -3.41 48.80 2.56 48.64 19.27 12.88 17.29 28.57 19.32 0.13 1.17 1.37 55 Y C C 102.34 7.72 9.20 18.49 115.64 61.23 -104.24 125.36 70.75 4.71 24.55 44.24 18.63 8.22 18.35 5.68 0.03 1.85 2.99 56 A C C 58.56 4.00 11.26 16.83 113.91 -147.71 -87.50 155.75 74.49 1.61 23.90 55.60 11.39 7.06 19.59 4.76 0.00 0.74 0.87 57 Q H H 134.27 2.01 10.76 13.86 95.48 -108.57 -64.96 -33.53 44.38 0.90 54.72 15.27 11.86 18.07 36.33 17.46 0.09 0.41 0.52 58 E H H 136.64 1.75 10.80 13.26 96.23 54.39 -72.92 -22.74 42.88 0.86 56.26 15.12 8.71 19.03 36.23 19.94 0.06 0.42 0.47 59 Q H H 97.59 6.02 8.71 16.17 97.97 60.07 -79.66 -12.29 43.45 1.53 55.02 21.29 8.22 14.08 33.58 21.28 0.04 0.77 0.75 60 R C C 152.78 3.45 10.24 15.35 99.29 78.08 -77.49 -14.80 61.94 1.55 36.51 28.79 12.10 21.53 24.61 11.39 0.03 0.77 0.79 61 S C C 87.43 1.67 11.95 14.11 102.36 62.67 -86.63 9.42 76.80 2.21 20.99 34.38 15.42 27.73 12.31 7.98 0.01 1.35 0.83 62 I C C 95.12 5.64 8.82 16.29 116.39 98.47 -94.05 130.19 94.70 2.73 2.57 56.30 37.50 1.18 2.02 0.55 0.00 1.64 0.79 63 P C C 83.46 4.60 11.72 18.00 113.11 -111.36 -67.76 145.25 86.61 9.17 4.22 83.42 2.26 1.31 3.10 1.02 0.00 5.41 3.47 64 L C C 113.63 4.34 10.88 16.89 110.18 -139.44 -90.05 119.78 72.18 15.81 12.00 49.92 16.70 5.09 9.16 3.58 0.07 8.55 6.94 65 V C C 84.12 6.46 8.95 16.98 113.15 -144.67 -95.86 119.07 62.00 18.27 19.73 46.14 10.05 5.42 15.53 5.07 0.09 12.29 5.41 66 T C C 92.61 3.38 11.45 16.32 105.63 -169.88 -96.77 -16.27 67.97 7.24 24.78 41.57 16.96 9.66 19.97 5.18 0.05 4.92 1.68 67 D C C 85.25 2.95 13.40 16.99 114.96 13.63 -102.91 134.10 68.87 3.18 27.94 45.04 12.25 11.20 23.92 4.65 0.02 1.88 1.05 68 R H H 134.62 6.09 10.72 18.37 94.20 -137.78 -64.17 -35.34 24.06 0.51 75.43 8.72 4.93 11.42 68.60 5.80 0.06 0.28 0.21 69 F H H 135.70 1.75 13.94 15.69 92.76 53.87 -66.30 -38.16 19.28 0.35 80.37 5.60 3.42 10.91 74.17 5.50 0.06 0.19 0.15 70 E H H 100.18 2.50 15.17 17.91 92.95 50.76 -67.61 -36.37 15.82 0.32 83.86 8.67 2.72 5.44 78.56 4.33 0.01 0.18 0.11 71 A H H 31.91 8.05 11.42 21.64 92.57 56.93 -63.31 -41.63 3.88 0.04 96.08 1.91 0.59 1.49 94.97 1.00 0.00 0.02 0.01 72 K H H 112.63 3.45 15.71 19.99 92.23 51.25 -64.67 -40.52 1.58 0.02 98.40 0.57 0.19 0.76 97.90 0.57 0.00 0.01 0.00 73 Q H H 104.42 1.54 16.94 17.33 92.31 50.04 -65.20 -40.71 1.30 0.01 98.69 0.44 0.14 0.66 98.24 0.50 0.00 0.01 0.00 74 Q H H 86.02 3.66 15.51 20.14 92.23 50.69 -65.25 -41.02 1.00 0.01 98.99 0.35 0.11 0.50 98.76 0.28 0.00 0.00 0.00 75 V H H 63.43 5.36 13.72 20.77 92.06 49.89 -64.48 -41.61 0.61 0.00 99.38 0.22 0.06 0.27 99.30 0.14 0.00 0.00 0.00 76 E H H 105.63 2.03 15.53 17.50 91.71 50.83 -64.05 -41.18 0.54 0.00 99.46 0.15 0.04 0.27 99.40 0.13 0.00 0.00 0.00 77 T H H 76.30 1.60 15.13 16.17 91.77 50.00 -64.44 -41.17 0.76 0.00 99.24 0.16 0.06 0.44 99.12 0.21 0.00 0.00 0.00 78 F H H 103.64 2.88 13.08 17.05 92.24 49.80 -65.09 -40.81 1.11 0.00 98.88 0.21 0.09 0.68 98.68 0.34 0.00 0.00 0.00 79 L H H 82.36 3.28 11.28 16.14 92.18 50.48 -65.61 -38.80 2.25 0.01 97.74 0.42 0.20 1.41 97.25 0.71 0.00 0.00 0.00 80 E H H 129.17 1.28 11.56 12.97 92.39 52.79 -65.86 -36.82 8.59 0.01 91.39 0.74 0.51 6.97 89.44 2.33 0.01 0.00 0.01 81 Q H H 134.09 1.07 10.29 11.61 93.45 53.94 -69.93 -27.75 25.73 0.04 74.22 1.74 1.42 22.04 72.14 2.60 0.01 0.02 0.03 82 L C H 116.88 2.21 8.01 11.68 97.93 55.41 -81.74 -8.31 49.90 0.23 49.87 19.55 1.71 27.76 48.42 2.32 0.00 0.08 0.16 83 K C C 149.67 2.36 10.36 14.30 102.77 115.60 -75.92 67.78 99.94 0.03 0.03 99.79 0.08 0.08 0.02 0.00 0.00 0.01 0.00