# 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 S C C 69.59 5.21 13.00 19.56 116.88 143.73 -100.57 157.33 99.93 0.06 0.01 99.74 0.16 0.06 0.00 0.00 0.00 0.03 0.01 1 D C C 121.51 1.93 11.83 14.84 103.67 -80.37 -87.89 24.86 99.00 0.66 0.34 91.16 4.13 3.78 0.10 0.18 0.00 0.30 0.35 2 A C C 61.62 6.20 9.45 17.45 118.56 129.22 -90.70 142.49 98.88 0.93 0.19 55.16 43.00 0.86 0.06 0.09 0.00 0.32 0.51 3 P C C 81.42 4.64 13.57 19.71 115.87 -99.03 -68.91 152.03 99.19 0.32 0.49 90.14 7.79 1.34 0.17 0.26 0.00 0.16 0.15 4 P C C 81.33 7.34 14.49 23.08 112.96 -97.65 -68.35 146.84 94.92 1.66 3.42 76.17 12.29 6.40 1.32 1.90 0.00 0.66 1.26 5 L C C 53.62 16.39 11.64 27.50 111.51 -115.09 -81.85 125.52 90.20 4.81 4.99 73.26 11.87 4.28 2.72 2.25 0.00 1.89 3.72 6 T C C 64.87 4.80 20.63 25.47 124.86 -156.51 -102.96 162.72 89.71 3.85 6.43 75.96 10.75 2.43 5.22 1.50 0.00 1.42 2.71 7 L H H 70.48 14.46 13.42 27.71 92.52 -106.09 -60.37 -36.83 23.04 0.52 76.44 7.22 6.87 10.97 69.17 5.15 0.11 0.22 0.30 8 E H H 129.58 2.48 19.24 21.92 92.38 54.40 -64.84 -38.34 20.00 0.15 79.85 3.33 3.23 13.47 74.53 5.23 0.06 0.07 0.10 9 G H H 20.68 7.87 18.09 27.54 92.94 49.42 -65.11 -39.89 17.96 0.32 81.72 6.32 2.98 9.53 75.49 5.29 0.05 0.15 0.18 10 I H H 11.86 21.68 17.01 38.41 92.11 50.73 -64.30 -43.22 3.07 0.04 96.89 1.52 0.48 1.15 96.32 0.50 0.00 0.01 0.02 11 K H H 65.33 16.17 21.28 36.24 91.05 51.64 -61.84 -42.33 0.87 0.01 99.12 0.31 0.09 0.38 99.08 0.13 0.00 0.00 0.00 12 D H H 71.82 5.53 25.33 31.10 91.63 49.88 -64.81 -40.97 0.33 0.00 99.67 0.12 0.03 0.15 99.65 0.06 0.00 0.00 0.00 13 R H H 59.13 14.35 24.01 37.71 92.02 49.94 -64.88 -42.14 0.10 0.00 99.90 0.02 0.01 0.05 99.90 0.02 0.00 0.00 0.00 14 V H H 2.32 25.81 22.25 47.83 91.52 49.57 -63.93 -43.73 0.06 0.00 99.94 0.01 0.00 0.03 99.95 0.01 0.00 0.00 0.00 15 L H H 25.38 17.01 23.70 40.26 91.24 50.17 -62.69 -42.66 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 16 Y H H 85.24 7.46 26.29 34.41 91.78 50.10 -63.87 -42.46 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.02 0.00 0.00 0.00 17 V H H 10.46 18.36 22.51 41.05 91.46 48.88 -63.30 -43.69 0.16 0.00 99.84 0.01 0.00 0.11 99.84 0.03 0.00 0.00 0.00 18 L H H 5.90 22.36 19.12 41.70 91.79 49.39 -64.03 -42.47 0.41 0.00 99.59 0.03 0.02 0.31 99.46 0.18 0.00 0.00 0.00 19 K H H 77.85 10.06 20.01 30.51 91.63 50.88 -64.20 -40.26 2.66 0.01 97.32 0.18 0.14 2.32 96.60 0.75 0.01 0.01 0.00 20 L H H 74.44 7.79 19.62 27.98 92.77 49.54 -67.31 -39.45 7.74 0.02 92.24 0.34 0.37 7.04 91.27 0.95 0.01 0.01 0.01 21 Y H H 73.24 13.89 16.80 30.56 98.10 38.78 -84.32 -34.05 23.44 0.12 76.45 1.37 2.48 19.61 75.08 1.27 0.07 0.03 0.08 22 D C T 50.80 12.15 14.39 27.03 102.66 25.46 -108.30 0.30 62.67 0.34 36.99 5.42 15.50 39.95 36.96 1.74 0.04 0.10 0.28 23 K C T 162.61 1.71 18.97 20.54 95.15 -125.07 55.93 37.47 99.36 0.08 0.56 37.04 11.15 51.28 0.22 0.23 0.00 0.04 0.04 24 I C C 35.41 15.92 9.65 25.72 120.34 148.77 -99.12 140.82 99.41 0.50 0.09 86.27 12.79 0.17 0.05 0.03 0.00 0.12 0.57 25 D C C 82.84 3.07 21.36 23.91 107.53 -117.17 -80.62 116.49 99.90 0.06 0.03 99.63 0.27 0.04 0.01 0.01 0.00 0.02 0.03 26 P H G 40.91 18.89 10.10 28.31 91.76 -153.49 -61.83 -27.14 18.10 0.09 81.81 1.87 1.44 11.95 1.49 83.17 0.00 0.06 0.01 27 E H G 146.31 1.95 18.28 20.73 90.48 64.87 -69.35 -20.00 18.04 0.06 81.90 0.65 1.17 14.00 1.39 82.75 0.00 0.04 0.01 28 K H G 131.83 3.01 18.64 21.94 95.65 51.89 -91.94 -4.71 16.90 0.18 82.92 2.46 2.19 10.14 1.54 83.53 0.00 0.11 0.02 29 L C C 15.88 23.30 8.64 30.72 113.74 105.49 -80.30 129.39 93.62 1.90 4.49 76.16 15.56 1.59 1.89 2.29 0.00 0.57 1.95 30 S C C 48.06 4.63 24.08 28.61 134.80 163.40 -134.61 166.12 93.31 5.67 1.02 80.93 9.18 0.77 0.55 0.37 0.00 1.13 7.08 31 V C T 62.31 15.98 14.05 29.74 91.35 -97.28 -63.06 -25.93 97.49 0.45 2.06 1.46 6.45 89.81 0.60 1.17 0.00 0.22 0.29 32 N C T 119.55 1.99 20.06 21.83 94.41 54.13 -92.64 1.84 98.17 0.12 1.71 2.64 4.91 90.76 0.57 0.98 0.00 0.07 0.06 33 S C C 18.06 15.94 11.98 28.94 115.33 120.49 -69.99 141.86 93.84 1.52 4.64 69.34 22.33 1.89 3.48 0.99 0.00 0.34 1.62 34 H H H 82.58 7.31 21.53 29.59 97.40 -137.98 -76.98 -9.90 36.30 12.62 51.08 16.16 11.97 8.69 45.48 2.14 0.20 1.99 13.37 35 F H H 15.15 21.73 14.52 36.27 93.17 81.92 -64.01 -37.75 19.82 0.56 79.62 3.08 3.50 14.68 72.20 5.05 0.85 0.24 0.39 36 M H H 52.07 15.07 15.03 29.93 92.98 52.35 -67.03 -38.72 14.13 0.61 85.27 2.01 2.50 10.58 77.04 5.95 1.25 0.27 0.41 37 K H H 150.08 1.55 18.63 19.60 95.55 44.41 -72.30 -38.24 14.31 0.40 85.29 1.25 2.23 11.42 76.99 6.44 1.19 0.17 0.30 38 D H H 89.38 4.80 16.92 22.56 99.49 36.14 -86.22 -34.63 25.16 0.25 74.58 1.12 3.10 21.60 67.87 5.30 0.68 0.10 0.22 39 L H H 45.19 15.22 13.25 28.28 99.86 28.56 -101.34 -11.19 44.44 0.84 54.72 3.06 11.74 30.73 49.71 3.15 0.60 0.24 0.77 40 G C C 40.60 4.31 19.17 24.29 99.64 -116.43 78.13 21.97 96.37 0.76 2.88 67.17 10.51 18.81 1.04 1.59 0.00 0.36 0.52 41 L C C 43.06 18.88 10.87 28.40 112.83 149.27 -80.74 134.63 93.26 1.29 5.45 41.66 32.58 19.31 1.82 3.15 0.00 0.50 0.97 42 D C C 88.44 4.07 19.24 23.40 116.31 -123.13 -98.45 145.82 93.31 1.20 5.49 56.16 23.12 14.21 2.57 2.48 0.00 0.43 1.03 43 S H H 58.85 8.74 14.95 24.40 97.23 -102.06 -65.90 -43.78 23.87 0.42 75.70 5.43 10.54 9.92 68.90 4.63 0.14 0.14 0.30 44 L H H 106.27 3.54 18.49 22.43 93.87 47.34 -66.35 -38.12 11.82 0.07 88.10 1.21 1.65 8.82 82.54 5.65 0.06 0.04 0.04 45 D H H 49.85 10.81 18.09 29.55 92.56 50.88 -66.28 -38.90 8.87 0.13 91.00 2.32 1.11 5.33 85.35 5.74 0.02 0.08 0.05 46 Q H H 22.70 19.58 16.13 35.34 91.49 52.79 -63.51 -42.20 3.68 0.06 96.25 1.20 0.41 2.02 94.14 2.16 0.01 0.03 0.02 47 V H H 55.78 9.43 21.32 31.35 91.70 51.15 -63.66 -42.13 0.37 0.00 99.63 0.16 0.03 0.12 99.65 0.04 0.00 0.00 0.00 48 E H H 96.09 4.58 24.49 28.91 91.56 50.62 -64.19 -41.51 0.07 0.00 99.93 0.02 0.00 0.03 99.94 0.02 0.00 0.00 0.00 49 I H H 15.64 19.32 20.38 39.55 91.80 49.77 -63.95 -43.25 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 50 I H H 18.42 20.42 20.36 40.12 91.47 50.12 -62.63 -42.80 0.03 0.00 99.97 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 51 M H H 84.37 5.08 24.19 29.42 91.68 50.05 -63.72 -41.60 0.10 0.00 99.90 0.01 0.00 0.08 99.90 0.02 0.00 0.00 0.00 52 A H H 29.57 7.40 21.58 30.34 91.48 50.38 -63.86 -42.31 0.54 0.00 99.45 0.01 0.01 0.50 99.43 0.04 0.00 0.00 0.00 53 M H H 10.87 20.23 16.11 36.81 91.94 49.77 -64.49 -41.85 0.95 0.00 99.05 0.07 0.07 0.75 98.94 0.16 0.00 0.00 0.00 54 E H H 63.28 12.54 16.16 29.08 91.99 51.47 -63.28 -41.71 0.50 0.00 99.50 0.05 0.03 0.33 99.33 0.25 0.00 0.00 0.00 55 D H H 112.15 1.20 19.10 18.85 93.03 47.17 -67.65 -39.38 0.97 0.00 99.03 0.05 0.04 0.78 98.67 0.46 0.00 0.00 0.00 56 E H H 101.55 6.64 16.37 23.93 95.83 43.30 -74.47 -37.17 3.53 0.00 96.46 0.10 0.17 3.17 96.11 0.44 0.00 0.00 0.00 57 F H H 56.60 14.04 12.76 27.18 100.30 27.69 -105.08 -7.05 15.62 0.06 84.32 0.95 2.40 12.09 83.92 0.54 0.04 0.01 0.04 58 G C T 57.48 1.53 18.97 19.64 96.01 -118.77 74.28 22.07 99.58 0.17 0.25 42.96 10.57 46.12 0.07 0.13 0.00 0.10 0.06 59 F C C 55.05 15.10 10.23 25.39 123.28 134.41 -106.85 147.15 96.92 2.89 0.19 91.14 5.53 0.49 0.07 0.10 0.00 1.70 0.98 60 E C C 140.06 2.08 20.90 22.89 114.51 -138.13 -98.51 125.62 95.85 4.05 0.11 94.96 1.40 0.18 0.05 0.04 0.00 1.93 1.45 61 I C C 24.47 22.07 9.59 30.56 115.97 -150.91 -99.34 127.39 98.81 1.08 0.11 97.45 1.55 0.11 0.05 0.03 0.00 0.58 0.23 62 P C C 59.13 5.48 17.20 23.95 113.51 -115.92 -68.14 149.76 97.09 0.42 2.49 94.29 1.76 1.63 0.95 0.99 0.00 0.20 0.18 63 D C T 105.84 5.28 13.97 20.77 95.38 -111.39 -66.70 -24.47 58.42 0.50 41.07 15.73 16.50 25.94 15.45 25.72 0.01 0.19 0.45 64 I C G 101.14 4.41 14.94 20.41 98.30 67.35 -75.46 -19.47 53.61 0.60 45.80 13.28 12.51 27.22 18.83 27.39 0.04 0.25 0.47 65 D C C 60.57 8.63 16.36 25.95 97.90 55.64 -79.08 -7.79 49.85 0.60 49.54 29.34 6.43 13.54 20.95 29.09 0.00 0.29 0.35 66 A H G 14.68 21.21 11.30 31.62 93.35 86.57 -63.97 -33.40 20.29 0.30 79.41 7.90 2.95 8.92 26.47 53.49 0.00 0.18 0.10 67 E H G 120.67 5.44 18.97 25.65 91.53 63.93 -66.75 -24.34 19.81 0.18 80.01 3.08 2.53 13.02 21.95 59.25 0.00 0.11 0.06 68 K H G 120.32 4.94 20.45 25.87 92.67 60.05 -77.93 -15.31 23.87 0.20 75.93 4.11 3.46 15.35 15.88 60.99 0.00 0.11 0.08 69 L C C 16.74 21.36 13.42 34.61 102.55 72.88 -92.99 58.50 73.66 1.41 24.93 55.74 9.60 7.96 7.79 17.34 0.00 0.61 0.95 70 M C C 76.96 11.93 21.68 33.47 98.61 135.53 -90.79 -11.57 96.01 2.30 1.69 70.18 23.38 1.91 0.76 0.82 0.00 0.61 2.35 71 C C S 35.85 8.92 23.96 34.09 132.77 50.37 -129.19 154.38 94.61 4.49 0.90 15.07 78.95 0.18 0.80 0.03 0.00 0.33 4.64 72 P H H 15.43 22.37 16.14 38.62 91.23 -116.38 -58.50 -38.10 3.22 0.01 96.77 0.20 0.40 2.67 96.00 0.71 0.01 0.00 0.01 73 Q H H 95.60 7.07 22.60 30.30 91.58 55.50 -63.02 -40.15 1.69 0.00 98.30 0.14 0.12 1.38 97.61 0.73 0.00 0.00 0.00 74 E H H 76.40 7.01 22.88 30.31 91.68 49.85 -66.10 -39.74 0.47 0.01 99.53 0.16 0.04 0.26 98.79 0.74 0.00 0.00 0.00 75 I H H 3.91 24.98 17.42 42.64 91.71 50.24 -63.88 -43.63 0.20 0.00 99.80 0.05 0.01 0.11 99.66 0.16 0.00 0.00 0.00 76 V H H 22.97 17.24 20.19 37.28 91.22 50.25 -63.04 -42.55 0.16 0.01 99.83 0.04 0.01 0.09 99.75 0.10 0.00 0.01 0.00 77 D H H 84.40 2.71 24.49 26.25 91.51 50.16 -64.18 -41.37 0.27 0.00 99.72 0.04 0.01 0.18 99.64 0.13 0.00 0.00 0.00 78 Y H H 46.24 12.01 19.40 32.46 91.88 49.58 -65.02 -42.39 0.60 0.00 99.39 0.05 0.03 0.43 99.25 0.24 0.00 0.00 0.00 79 I H H 11.70 21.72 15.92 37.47 92.25 48.55 -65.91 -39.92 2.14 0.01 97.85 0.26 0.14 1.48 97.73 0.38 0.00 0.00 0.00 80 A H H 47.39 9.23 17.18 27.35 91.92 55.65 -66.89 -31.24 15.57 0.05 84.38 1.51 1.22 12.05 84.44 0.72 0.01 0.02 0.03 81 D C H 101.24 2.38 18.33 20.43 95.59 52.68 -83.43 -4.66 51.57 0.31 48.13 9.25 6.26 34.40 48.22 1.57 0.02 0.11 0.18 82 K C H 79.66 13.08 10.83 23.80 104.70 92.55 -82.99 62.13 63.27 1.18 35.55 31.47 14.06 17.90 31.75 3.69 0.02 0.44 0.67 83 K C C 133.37 4.34 14.13 19.93 101.85 121.48 -77.17 -19.47 62.63 1.37 36.00 27.86 15.17 20.59 26.76 8.26 0.03 0.63 0.71 84 D C C 91.37 4.87 13.18 19.43 102.23 52.03 -83.28 23.66 65.39 1.76 32.85 34.29 11.31 20.09 21.95 10.63 0.01 0.91 0.81 85 V C C 68.69 10.31 10.75 21.72 101.68 105.36 -85.07 -11.53 65.60 3.44 30.95 36.09 12.99 17.07 20.35 10.19 0.04 1.87 1.41 86 Y C C 117.86 8.43 9.60 19.03 107.95 67.16 -94.49 67.93 74.02 2.93 23.05 56.14 3.05 15.54 16.26 5.86 0.00 1.81 1.33 87 E C C 133.89 3.28 13.92 18.68 110.48 -149.00 -87.98 119.81 99.75 0.11 0.14 99.60 0.12 0.12 0.08 0.01 0.00 0.06 0.01