# 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 116.01 4.60 10.32 16.69 113.65 -158.97 -92.57 126.38 99.86 0.10 0.04 99.75 0.12 0.05 0.02 0.00 0.00 0.05 0.02 1 H C C 131.57 2.94 8.88 13.62 113.32 -156.98 -94.93 126.05 88.67 1.30 10.02 85.31 1.04 3.53 7.43 1.43 0.00 0.63 0.62 2 H C C 135.57 2.70 8.26 12.61 106.20 -158.74 -85.13 68.81 71.12 1.42 27.46 50.75 8.25 11.66 22.31 5.64 0.00 0.72 0.66 3 H C C 135.34 2.43 8.92 12.72 103.52 114.71 -81.56 -4.55 55.04 1.12 43.84 35.62 8.71 11.36 34.96 8.26 0.01 0.56 0.52 4 H H H 125.26 2.77 9.31 13.52 101.85 73.85 -78.44 -17.59 39.89 1.00 59.12 26.38 6.57 8.19 48.01 9.92 0.01 0.52 0.40 5 H H H 124.81 2.63 9.73 13.70 98.40 68.39 -73.87 -27.67 31.39 0.89 67.72 20.30 5.15 7.41 56.90 9.41 0.01 0.49 0.33 6 H H H 124.17 2.71 10.03 14.02 98.20 58.46 -76.56 -26.25 28.29 0.84 70.87 17.97 4.67 7.12 61.06 8.38 0.01 0.47 0.31 7 H H H 124.79 2.77 10.41 14.46 97.74 61.93 -77.02 -20.12 27.15 0.81 72.03 17.06 4.57 7.06 63.10 7.44 0.01 0.46 0.30 8 H H H 129.44 2.52 10.75 14.43 98.62 65.50 -77.95 -17.86 29.43 0.87 69.69 16.81 5.21 8.99 61.04 7.11 0.03 0.48 0.33 9 H H H 127.30 2.95 10.39 14.74 101.62 62.42 -81.78 -9.89 35.46 1.08 63.46 20.23 5.97 10.83 55.40 6.53 0.03 0.58 0.43 10 H H H 124.33 3.47 10.37 15.38 103.74 72.58 -84.90 6.07 44.36 1.45 54.19 27.40 7.64 10.92 47.46 5.22 0.02 0.71 0.62 11 A C H 72.93 3.59 10.44 15.64 104.10 67.30 -79.19 6.12 54.38 1.32 44.29 32.45 8.62 13.60 39.62 4.47 0.02 0.63 0.58 12 S C C 78.61 3.03 11.08 15.50 104.81 68.60 -87.47 24.59 65.25 1.07 33.69 33.51 11.86 19.74 29.56 4.31 0.02 0.45 0.55 13 N C C 104.33 4.00 10.84 16.40 106.55 116.12 -88.76 47.26 70.30 0.93 28.78 34.05 17.93 17.87 25.36 3.89 0.01 0.35 0.54 14 N C C 91.01 4.66 11.51 17.72 104.90 125.17 -85.31 46.23 64.27 0.98 34.76 38.70 14.06 10.67 32.55 3.15 0.01 0.37 0.50 15 T H H 87.87 3.69 12.53 17.49 95.80 81.66 -67.90 -33.18 33.17 0.59 66.24 19.63 6.77 7.70 62.58 2.81 0.01 0.25 0.25 16 A H H 65.13 2.42 14.52 17.37 93.27 57.29 -66.07 -38.89 23.23 0.41 76.35 13.13 4.20 6.59 73.38 2.33 0.01 0.20 0.16 17 S H H 50.87 4.62 14.50 20.47 93.44 51.37 -66.80 -39.30 17.56 0.42 82.03 11.82 2.79 4.01 79.15 1.87 0.01 0.21 0.14 18 I H H 69.15 6.59 14.19 22.28 92.48 51.53 -64.81 -41.72 5.59 0.12 94.29 3.41 0.91 1.65 93.03 0.91 0.00 0.06 0.04 19 A H H 53.03 2.88 16.93 20.16 91.67 51.22 -63.65 -41.58 3.03 0.06 96.91 1.64 0.41 1.10 96.18 0.62 0.00 0.03 0.02 20 Q H H 100.00 2.27 18.03 19.84 91.96 49.67 -65.24 -40.73 2.35 0.04 97.61 1.14 0.30 0.94 97.13 0.46 0.00 0.02 0.01 21 A H H 39.23 6.86 14.93 23.43 91.86 51.11 -64.06 -40.99 1.78 0.02 98.20 0.78 0.19 0.74 97.96 0.30 0.00 0.01 0.01 22 R H H 124.92 4.38 17.20 22.38 91.73 51.40 -64.21 -40.41 1.44 0.01 98.55 0.56 0.15 0.64 98.43 0.21 0.00 0.00 0.00 23 K H H 120.15 1.87 18.40 19.39 92.00 50.25 -64.86 -41.20 1.19 0.01 98.80 0.43 0.12 0.55 98.73 0.16 0.00 0.00 0.00 24 L H H 77.73 3.92 17.20 21.74 91.98 50.00 -64.71 -41.67 0.90 0.01 99.09 0.33 0.09 0.41 99.03 0.13 0.00 0.00 0.00 25 V H H 56.91 6.73 15.46 23.47 91.97 49.79 -64.30 -41.78 0.68 0.00 99.31 0.24 0.06 0.32 99.26 0.11 0.00 0.00 0.00 26 E H H 99.27 2.75 17.41 20.27 91.63 50.56 -63.91 -40.85 0.70 0.00 99.30 0.19 0.06 0.37 99.25 0.14 0.00 0.00 0.00 27 Q H H 99.69 2.00 17.08 18.52 91.88 50.22 -65.02 -40.77 1.09 0.00 98.90 0.23 0.09 0.65 98.80 0.24 0.00 0.00 0.00 28 L H H 73.79 5.09 14.57 20.86 91.98 50.69 -65.26 -40.51 1.55 0.01 98.44 0.34 0.13 0.91 98.16 0.45 0.00 0.00 0.00 29 K H H 109.70 4.42 14.86 20.19 92.00 52.02 -64.29 -39.82 2.91 0.02 97.07 0.61 0.26 1.80 96.45 0.87 0.00 0.01 0.01 30 M H H 115.12 1.69 15.54 16.72 92.54 50.45 -66.54 -38.98 6.23 0.04 93.73 1.19 0.63 4.15 92.46 1.53 0.01 0.02 0.02 31 E H H 116.46 2.43 14.18 16.92 94.08 50.31 -71.03 -31.33 13.93 0.11 85.96 2.87 1.73 9.12 84.35 1.80 0.03 0.04 0.06 32 A H H 53.28 6.41 10.89 18.75 97.04 61.74 -72.34 -23.63 38.00 0.40 61.59 9.46 5.63 23.04 59.09 2.36 0.04 0.15 0.23 33 N C H 113.71 2.33 13.60 16.68 99.18 29.43 -63.11 27.70 58.68 0.62 40.70 20.48 7.68 30.25 37.78 3.22 0.01 0.25 0.33 34 I C H 94.62 4.91 11.45 17.76 105.13 107.49 -85.97 6.14 54.53 0.95 44.52 26.83 13.99 13.56 41.93 2.85 0.02 0.37 0.46 35 D C H 88.07 3.10 13.49 17.44 105.73 10.46 -78.55 91.85 50.76 0.63 48.60 36.89 4.78 7.53 48.20 2.07 0.00 0.26 0.26 36 R H H 142.91 4.18 12.35 17.95 94.73 59.69 -65.46 -34.48 18.84 0.32 80.84 9.81 3.33 6.20 77.90 2.48 0.01 0.15 0.12 37 I H H 105.03 1.90 15.03 16.73 93.35 53.73 -66.56 -39.80 12.76 0.28 86.96 6.08 2.18 4.86 84.54 2.08 0.01 0.14 0.10 38 K H H 110.44 3.00 15.74 19.20 92.91 50.55 -66.74 -39.56 9.36 0.22 90.42 5.35 1.42 3.10 88.24 1.67 0.01 0.11 0.08 39 V H H 60.35 6.70 13.90 22.21 92.73 51.01 -65.12 -41.69 3.45 0.05 96.50 1.78 0.50 1.26 95.79 0.62 0.00 0.02 0.02 40 S H H 56.42 3.48 16.83 20.95 92.32 50.90 -64.54 -41.03 2.46 0.03 97.51 1.12 0.30 1.01 97.10 0.44 0.00 0.01 0.01 41 K H H 123.21 1.77 18.73 19.44 92.20 49.55 -65.65 -41.20 1.57 0.01 98.42 0.57 0.20 0.76 98.15 0.30 0.00 0.01 0.01 42 A H H 43.31 4.78 16.43 22.56 91.95 50.32 -64.40 -41.83 1.29 0.01 98.71 0.45 0.14 0.61 98.58 0.21 0.00 0.00 0.00 43 A H H 42.17 6.27 15.87 23.78 91.95 50.78 -63.64 -40.97 0.67 0.00 99.33 0.18 0.06 0.33 99.32 0.11 0.00 0.00 0.00 44 A H H 56.45 2.67 18.10 20.67 91.67 51.04 -63.81 -41.07 0.33 0.00 99.67 0.06 0.02 0.17 99.69 0.05 0.00 0.00 0.00 45 D H H 87.07 2.05 18.54 19.78 92.08 49.84 -65.22 -40.58 0.36 0.00 99.64 0.05 0.02 0.21 99.68 0.04 0.00 0.00 0.00 46 L H H 71.15 6.63 15.77 23.59 91.92 50.55 -64.45 -41.53 0.25 0.00 99.75 0.03 0.01 0.14 99.77 0.03 0.00 0.00 0.00 47 M H H 87.52 5.63 16.29 23.05 91.58 51.08 -63.28 -41.37 0.16 0.00 99.84 0.02 0.01 0.09 99.85 0.03 0.00 0.00 0.00 48 A H H 60.83 1.68 18.12 18.51 91.53 50.33 -63.69 -41.50 0.25 0.00 99.75 0.02 0.01 0.17 99.75 0.05 0.00 0.00 0.00 49 Y H H 116.13 2.91 17.01 20.12 92.22 49.35 -65.10 -41.36 0.45 0.00 99.55 0.03 0.02 0.32 99.53 0.09 0.00 0.00 0.00 50 C H H 37.28 10.13 12.14 23.71 91.96 50.26 -64.68 -40.77 0.58 0.00 99.42 0.05 0.03 0.41 99.36 0.16 0.00 0.00 0.00 51 E H H 118.74 2.90 15.68 19.30 91.68 51.63 -64.65 -38.44 1.38 0.00 98.62 0.07 0.06 1.13 98.27 0.47 0.00 0.00 0.00 52 A H H 77.02 1.15 16.50 16.00 92.49 50.97 -68.61 -33.34 7.24 0.00 92.76 0.11 0.20 7.25 91.66 0.76 0.00 0.00 0.00 53 H H H 93.68 5.19 13.05 19.88 100.15 36.71 -106.70 -1.73 28.40 0.03 71.57 0.85 1.15 26.43 69.84 1.68 0.02 0.01 0.03 54 A H G 37.48 11.84 8.94 21.63 92.45 101.85 -61.13 -35.15 23.17 0.12 76.70 2.53 1.63 17.89 9.60 68.22 0.00 0.08 0.05 55 K H G 159.63 1.24 14.28 15.54 91.20 59.77 -70.08 -23.58 26.88 0.07 73.06 0.79 1.20 23.80 4.07 70.07 0.00 0.04 0.03 56 E H G 147.67 1.10 14.42 14.66 97.25 44.27 -97.44 -4.25 25.96 0.11 73.93 1.57 2.55 19.55 2.38 73.86 0.00 0.06 0.04 57 D C C 47.65 10.50 7.72 19.33 111.89 93.51 -93.18 113.05 99.61 0.28 0.11 75.85 23.47 0.21 0.05 0.05 0.00 0.06 0.32 58 P C T 94.61 3.16 12.60 17.47 92.37 -152.75 -64.52 -23.41 75.59 0.15 24.26 1.83 3.73 67.98 1.17 25.15 0.00 0.07 0.08 59 L C T 104.55 4.54 11.83 17.97 92.72 65.12 -76.29 -13.35 75.55 0.36 24.09 1.53 4.03 68.75 1.37 23.97 0.00 0.19 0.16 60 L C G 86.15 7.52 10.75 19.46 97.67 62.80 -84.20 -12.54 63.03 4.11 32.85 17.54 19.96 25.89 2.51 29.83 0.03 1.92 2.33 61 T C S 85.44 3.51 12.39 17.45 119.51 64.67 -107.30 129.67 91.20 3.68 5.12 26.91 39.68 24.63 1.04 4.04 0.00 1.73 1.97 62 P C C 103.19 2.85 12.74 17.05 110.74 -107.93 -70.28 136.96 98.15 0.87 0.98 40.31 37.35 20.30 0.13 1.06 0.00 0.42 0.44 63 V C C 59.27 9.80 7.92 18.82 119.03 -149.67 -99.28 135.10 97.94 1.79 0.27 60.82 36.72 0.50 0.12 0.12 0.00 0.58 1.14 64 P C C 78.10 2.08 14.73 16.81 112.75 -107.41 -64.96 144.09 97.86 1.66 0.48 96.18 1.39 0.41 0.17 0.20 0.00 0.56 1.09 65 A H G 71.58 7.03 8.39 16.93 92.76 -122.76 -60.33 -32.06 39.42 0.41 60.17 4.56 5.05 26.46 1.52 62.05 0.00 0.23 0.13 66 S H G 97.16 0.70 12.45 12.29 92.22 61.59 -73.29 -16.84 39.52 0.19 60.29 1.90 3.32 30.21 1.33 63.08 0.00 0.11 0.05 67 E H G 127.82 2.36 11.94 15.23 98.59 52.22 -91.26 -8.25 35.12 0.46 64.43 4.59 6.57 21.41 1.52 65.53 0.00 0.23 0.15 68 N C C 48.17 9.96 8.03 19.28 111.44 69.66 -109.29 106.72 99.02 0.54 0.45 71.78 26.54 0.56 0.25 0.17 0.00 0.13 0.57 69 P C T 86.02 3.82 12.56 18.20 92.68 -159.78 -65.20 -21.73 70.83 0.25 28.93 6.30 6.78 57.04 13.27 16.24 0.01 0.11 0.25 70 F C T 114.87 5.69 11.27 18.52 94.37 63.11 -82.91 -3.93 65.97 0.52 33.51 5.52 6.78 51.98 17.80 17.13 0.05 0.26 0.47 71 R C H 130.18 5.53 10.90 18.09 98.04 86.60 -75.62 -6.34 50.93 1.64 47.43 24.94 11.67 14.30 25.01 22.35 0.03 0.77 0.92 72 E C C 126.62 2.86 12.23 16.24 101.91 68.83 -84.19 -2.60 53.84 1.68 44.48 34.16 8.61 10.97 27.86 16.75 0.01 0.84 0.80 73 K C C 120.26 5.05 10.46 17.24 108.03 64.14 -84.20 97.98 53.78 1.70 44.53 29.51 10.29 14.27 28.27 15.96 0.04 0.85 0.81 74 K C C 133.51 3.94 11.55 17.07 108.84 -137.96 -87.56 109.63 58.37 2.00 39.63 32.53 10.72 15.38 25.78 13.60 0.03 1.04 0.91 75 F C C 127.95 4.53 10.65 16.84 110.57 -39.46 -89.33 120.64 64.16 2.51 33.33 39.38 12.43 12.22 21.69 11.85 0.02 1.32 1.09 76 F C C 131.84 4.21 11.13 16.81 107.10 52.84 -90.34 34.33 66.52 4.31 29.17 40.02 12.60 13.78 18.39 11.08 0.03 2.64 1.46 77 C C C 71.08 6.74 9.43 17.63 111.90 67.99 -98.92 115.37 63.42 9.61 26.97 39.16 11.80 12.57 15.94 11.24 0.05 7.09 2.15 78 A C C 72.29 3.90 10.75 16.26 110.57 -158.29 -92.28 127.04 52.45 22.29 25.27 34.17 8.98 9.81 15.67 9.55 0.15 18.69 2.96 79 I C C 114.64 4.06 10.37 16.08 109.08 -155.32 -91.90 103.21 56.29 24.44 19.27 46.07 2.42 7.37 13.80 5.26 0.05 20.36 4.68 80 L C C 99.45 6.66 12.19 20.02 109.46 -160.87 -91.93 106.23 98.70 1.23 0.07 98.63 0.13 0.08 0.04 0.01 0.00 1.06 0.05