# 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 P C C 80.32 5.25 16.78 22.89 116.96 -95.04 -70.50 150.65 99.98 0.01 0.00 99.79 0.17 0.03 0.00 0.00 0.00 0.01 0.00 1 P C C 82.91 6.90 14.89 23.11 113.64 -96.99 -67.38 148.36 95.53 0.69 3.78 88.07 1.83 6.22 1.77 1.31 0.00 0.27 0.53 2 L C C 54.76 16.47 10.72 26.55 111.30 -109.53 -79.02 126.04 92.56 2.56 4.88 73.77 12.44 5.86 2.82 2.01 0.00 0.96 2.14 3 T C C 66.42 3.92 20.67 24.37 128.31 -162.77 -106.45 163.67 90.88 2.54 6.58 77.14 11.08 2.11 5.76 1.16 0.00 0.82 1.93 4 L H H 69.84 14.72 12.80 27.34 91.37 -105.04 -59.29 -37.97 10.96 0.13 88.91 3.38 2.95 5.64 85.47 2.40 0.03 0.05 0.08 5 E H H 130.93 2.29 19.15 21.63 91.92 53.51 -63.90 -39.83 8.42 0.04 91.53 1.35 1.15 5.79 89.33 2.31 0.02 0.02 0.02 6 G H H 20.57 7.24 18.02 27.00 92.13 49.67 -64.44 -40.39 7.80 0.09 92.12 2.38 1.17 4.46 89.15 2.73 0.02 0.04 0.04 7 I H H 10.00 21.91 16.42 38.31 92.11 50.47 -64.30 -43.17 2.06 0.02 97.93 0.83 0.27 0.91 97.55 0.42 0.00 0.01 0.01 8 K H H 65.67 16.16 20.98 35.98 91.04 51.56 -61.48 -42.56 0.56 0.00 99.43 0.17 0.05 0.26 99.44 0.08 0.00 0.00 0.00 9 D H H 75.83 4.79 25.45 30.37 91.70 49.84 -64.67 -41.19 0.23 0.00 99.77 0.07 0.02 0.10 99.78 0.03 0.00 0.00 0.00 10 R H H 63.15 13.76 24.02 37.21 91.91 49.57 -64.91 -42.08 0.07 0.00 99.93 0.01 0.00 0.04 99.93 0.01 0.00 0.00 0.00 11 V H H 2.22 25.93 21.91 47.71 91.50 49.55 -63.93 -43.79 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 12 L H H 25.10 16.99 23.51 40.10 91.16 50.16 -62.62 -42.69 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 13 Y H H 89.59 6.89 26.47 33.96 91.74 50.06 -63.76 -42.49 0.06 0.00 99.94 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 14 V H H 10.55 18.30 22.54 41.03 91.46 48.92 -63.26 -43.76 0.12 0.00 99.87 0.00 0.00 0.10 99.86 0.03 0.00 0.00 0.00 15 L H H 5.55 22.58 19.08 41.90 91.69 49.43 -64.00 -42.37 0.39 0.00 99.61 0.02 0.02 0.30 99.43 0.22 0.00 0.00 0.00 16 K H H 77.53 10.04 20.15 30.62 91.67 51.14 -64.13 -40.14 2.82 0.01 97.17 0.14 0.12 2.53 96.39 0.80 0.00 0.00 0.00 17 L H H 74.22 7.72 19.81 28.06 92.85 48.92 -67.41 -39.73 8.57 0.02 91.41 0.34 0.41 7.86 90.48 0.89 0.02 0.01 0.01 18 Y H H 72.06 14.04 16.92 30.81 98.20 38.62 -82.56 -35.09 27.28 0.12 72.61 1.42 2.99 22.74 71.44 1.22 0.07 0.03 0.08 19 D C H 50.08 12.12 14.44 27.10 102.59 25.26 -107.78 -0.90 61.47 0.33 38.20 5.84 16.17 37.64 38.36 1.57 0.04 0.09 0.28 20 K C C 162.29 1.78 18.86 20.57 94.55 -126.07 55.41 37.88 99.49 0.09 0.42 48.05 10.75 40.77 0.15 0.19 0.00 0.05 0.05 21 I C C 35.42 15.71 9.67 25.60 121.05 150.16 -97.66 142.25 99.42 0.51 0.07 88.35 10.77 0.14 0.04 0.02 0.00 0.12 0.56 22 D C C 82.47 3.05 21.33 23.77 107.73 -114.64 -80.07 118.80 99.92 0.06 0.03 99.67 0.25 0.03 0.01 0.01 0.00 0.02 0.03 23 P H G 44.11 18.45 10.12 27.87 91.57 -150.36 -61.43 -27.98 16.79 0.07 83.14 1.44 1.24 11.49 1.27 84.51 0.00 0.05 0.01 24 E H G 147.98 1.78 18.18 20.26 90.61 64.36 -69.87 -19.99 16.61 0.05 83.33 0.52 0.98 13.14 1.19 84.13 0.00 0.03 0.01 25 K H G 132.10 2.99 18.44 21.75 95.60 51.22 -92.60 -4.99 15.56 0.16 84.27 1.94 1.90 9.69 1.38 84.97 0.00 0.10 0.02 26 L C C 15.50 23.36 8.57 30.69 114.09 104.59 -80.36 130.39 93.66 2.71 3.63 76.42 15.46 1.35 1.58 1.79 0.00 0.81 2.59 27 S C C 48.44 4.51 24.17 28.54 134.69 169.30 -133.27 165.94 92.47 6.71 0.82 81.84 7.61 0.63 0.44 0.30 0.00 1.44 7.75 28 V C T 60.50 16.46 13.84 29.91 91.10 -97.46 -63.27 -26.35 97.60 0.49 1.90 1.38 6.12 90.38 0.41 1.18 0.00 0.26 0.28 29 N C T 121.35 1.86 20.02 21.49 94.40 53.71 -92.39 1.94 98.36 0.13 1.51 2.30 4.72 91.49 0.41 0.94 0.00 0.08 0.06 30 S C C 20.20 15.60 12.25 28.84 114.70 119.57 -70.54 141.45 94.99 1.14 3.87 69.05 23.63 2.27 2.62 1.04 0.00 0.29 1.10 31 H C H 81.72 7.57 21.89 30.13 101.68 -135.85 -86.33 40.27 49.35 16.19 34.46 30.07 11.90 5.37 31.23 1.49 0.03 2.04 17.89 32 F H H 13.41 21.82 15.09 37.22 94.11 99.65 -65.21 -36.84 15.36 0.34 84.30 2.79 2.66 11.05 77.93 4.81 0.38 0.16 0.21 33 M H H 40.49 16.73 15.09 31.52 92.54 53.16 -65.29 -40.08 10.19 0.26 89.55 1.43 1.54 7.81 82.58 6.01 0.35 0.13 0.14 34 K H H 149.38 1.61 19.06 20.19 94.08 46.57 -69.14 -39.46 9.44 0.20 90.35 1.09 1.31 7.28 81.45 8.42 0.25 0.10 0.10 35 D H H 90.06 5.03 16.95 22.88 95.02 43.66 -75.64 -33.13 18.02 0.16 81.82 1.12 2.15 15.08 74.56 6.63 0.27 0.07 0.12 36 L H H 39.30 16.39 12.83 29.03 96.92 36.78 -95.23 -8.74 44.09 0.49 55.43 2.84 9.34 32.56 50.18 4.16 0.32 0.16 0.43 37 G C C 52.17 2.23 21.64 23.16 95.67 -116.67 75.62 21.04 99.28 0.13 0.59 48.73 6.36 44.32 0.20 0.25 0.00 0.07 0.07 38 L C C 22.88 21.88 8.53 28.77 117.29 156.44 -84.65 143.94 98.12 0.76 1.11 91.05 5.49 1.60 0.56 0.38 0.00 0.26 0.66 39 D C C 84.46 3.09 20.58 23.13 122.82 -139.03 -91.71 163.40 98.46 0.58 0.96 91.98 5.17 1.35 0.56 0.26 0.00 0.20 0.48 40 S H H 67.19 7.70 15.13 23.85 94.45 -94.35 -61.37 -41.38 23.96 0.37 75.67 5.93 9.45 10.52 69.88 3.75 0.10 0.12 0.26 41 L H H 105.16 3.03 18.91 22.05 92.91 49.34 -65.25 -39.56 11.88 0.05 88.07 1.23 1.56 8.73 83.68 4.71 0.04 0.02 0.03 42 D H H 47.47 11.42 18.03 30.03 92.21 50.74 -66.30 -39.85 8.45 0.09 91.46 2.37 1.01 4.87 86.98 4.66 0.02 0.05 0.03 43 Q H H 20.79 20.35 16.02 35.97 91.30 52.48 -63.09 -42.12 2.93 0.04 97.04 0.93 0.30 1.59 95.39 1.75 0.00 0.02 0.01 44 V H H 58.89 8.54 21.67 30.81 91.72 50.90 -63.88 -41.85 0.37 0.00 99.63 0.15 0.03 0.12 99.65 0.05 0.00 0.00 0.00 45 E H H 96.34 4.46 24.49 28.77 91.57 50.60 -64.47 -41.38 0.08 0.00 99.92 0.01 0.00 0.03 99.93 0.02 0.00 0.00 0.00 46 I H H 12.44 20.31 20.11 40.26 91.77 49.60 -64.04 -43.29 0.05 0.00 99.95 0.01 0.00 0.03 99.95 0.02 0.00 0.00 0.00 47 I H H 17.56 20.66 20.25 40.26 91.29 50.15 -62.71 -42.68 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 48 M H H 87.94 4.49 24.43 28.87 91.62 50.08 -63.80 -41.67 0.16 0.00 99.84 0.01 0.00 0.11 99.85 0.02 0.00 0.00 0.00 49 A H H 29.27 7.50 21.50 30.42 91.45 50.42 -63.96 -42.17 1.00 0.00 99.00 0.03 0.03 0.91 98.97 0.06 0.00 0.00 0.00 50 M H H 8.57 21.23 15.68 37.34 91.89 49.90 -64.94 -41.88 1.74 0.01 98.25 0.16 0.19 1.32 98.14 0.18 0.01 0.00 0.00 51 E H H 66.01 12.51 16.26 29.07 92.00 51.60 -63.42 -41.85 0.78 0.00 99.22 0.11 0.06 0.50 99.00 0.32 0.00 0.00 0.00 52 D H H 113.93 1.09 19.15 18.55 93.08 46.79 -68.34 -39.10 1.32 0.00 98.68 0.09 0.07 1.06 98.25 0.53 0.00 0.00 0.00 53 E H H 102.27 6.43 16.45 23.82 96.88 41.56 -76.86 -37.63 4.05 0.01 95.95 0.13 0.23 3.59 95.52 0.51 0.01 0.00 0.00 54 F H H 53.67 14.46 12.73 27.47 100.45 26.70 -105.26 -7.46 14.07 0.07 85.86 1.01 2.55 10.48 85.34 0.51 0.04 0.02 0.05 55 G C C 56.31 1.70 19.04 20.05 95.94 -120.32 73.66 21.83 99.52 0.20 0.28 52.82 12.83 33.93 0.08 0.15 0.00 0.12 0.07 56 F C C 54.42 15.34 10.40 25.73 122.95 138.11 -106.23 147.04 96.74 3.05 0.21 91.06 5.39 0.51 0.08 0.11 0.00 1.75 1.10 57 E C C 139.17 2.18 20.92 23.12 114.48 -139.17 -99.64 126.02 95.80 4.07 0.12 94.46 1.77 0.22 0.05 0.05 0.00 1.94 1.52 58 I C C 25.34 21.75 9.64 30.31 116.22 -153.21 -102.24 127.99 98.80 1.07 0.13 96.96 2.01 0.12 0.06 0.03 0.00 0.59 0.22 59 P C C 60.18 5.19 17.15 23.59 113.15 -115.57 -67.90 148.84 97.10 0.42 2.48 94.51 1.69 1.54 1.02 0.87 0.00 0.20 0.17 60 D C G 104.96 5.27 13.57 20.38 94.89 -111.74 -66.48 -25.52 54.19 0.49 45.32 15.18 14.22 24.54 18.52 26.89 0.02 0.19 0.44 61 I H G 105.18 3.84 14.76 19.60 98.55 67.94 -75.06 -22.16 49.32 0.50 50.18 11.36 10.40 26.57 21.93 29.12 0.04 0.22 0.38 62 D H G 62.44 8.33 15.90 25.24 97.99 54.07 -80.47 -10.13 46.01 0.54 53.45 23.25 6.46 15.78 24.08 29.86 0.01 0.25 0.32 63 A H G 16.45 20.45 11.03 30.59 93.48 87.67 -63.70 -33.15 21.81 0.32 77.87 9.20 3.14 8.84 29.64 48.88 0.00 0.18 0.11 64 E H G 122.90 4.93 18.53 24.77 91.52 63.86 -66.37 -25.24 21.23 0.19 78.58 3.46 2.75 13.70 24.25 55.65 0.01 0.11 0.07 65 K H G 123.68 4.41 20.04 24.92 92.82 59.84 -77.57 -15.67 25.39 0.21 74.40 4.28 3.62 16.53 17.49 57.86 0.00 0.11 0.09 66 L C C 18.75 20.81 13.06 33.65 102.21 72.44 -92.57 55.64 71.35 1.48 27.17 53.12 9.47 8.54 8.79 18.44 0.00 0.66 0.97 67 M C C 78.19 11.53 21.04 32.55 98.08 131.92 -91.19 -12.04 95.34 2.58 2.08 71.63 20.97 2.16 0.94 1.02 0.00 0.72 2.55 68 C C S 38.37 8.17 23.52 32.84 132.40 53.25 -127.28 155.69 94.23 4.83 0.95 18.27 75.17 0.21 0.87 0.04 0.00 0.35 5.09 69 P H H 20.46 21.22 15.69 36.98 91.28 -114.96 -58.41 -38.31 3.22 0.01 96.78 0.19 0.40 2.65 96.13 0.61 0.01 0.00 0.00 70 Q H H 99.77 6.00 22.07 28.74 91.52 55.01 -63.31 -40.27 1.84 0.00 98.16 0.13 0.13 1.53 97.54 0.66 0.00 0.00 0.00 71 E H H 77.23 6.93 22.16 29.58 91.85 49.48 -66.11 -39.86 0.52 0.00 99.48 0.15 0.05 0.30 98.87 0.63 0.00 0.00 0.00 72 I H H 4.73 24.45 16.68 41.34 91.69 50.32 -63.78 -43.67 0.20 0.00 99.80 0.05 0.01 0.10 99.71 0.13 0.00 0.00 0.00 73 V H H 27.99 15.79 19.92 35.80 91.39 50.16 -63.11 -42.41 0.16 0.01 99.83 0.03 0.01 0.08 99.77 0.09 0.00 0.01 0.00 74 D H H 85.23 2.47 24.01 25.34 91.55 50.13 -64.22 -41.42 0.27 0.00 99.73 0.03 0.01 0.17 99.66 0.12 0.00 0.00 0.00 75 Y H H 47.93 11.98 18.92 31.95 91.90 49.51 -65.07 -42.33 0.64 0.00 99.35 0.06 0.03 0.46 99.23 0.22 0.00 0.00 0.00 76 I H H 15.04 20.87 15.55 36.20 92.36 48.95 -65.93 -39.84 2.43 0.01 97.56 0.29 0.17 1.69 97.47 0.37 0.00 0.01 0.00 77 A H H 51.54 7.81 17.10 25.90 92.14 55.52 -67.50 -31.52 16.81 0.06 83.13 1.69 1.41 12.88 83.22 0.75 0.02 0.02 0.03 78 D C H 99.08 2.54 17.57 19.99 96.63 51.95 -84.22 -2.38 52.68 0.36 46.95 11.22 6.88 32.94 46.96 1.65 0.02 0.13 0.21 79 K C H 84.00 12.67 10.63 23.21 102.39 97.29 -81.53 24.47 61.44 1.20 37.36 31.90 12.46 17.48 32.76 4.24 0.02 0.47 0.66 80 K C H 134.36 3.98 13.91 19.29 99.06 117.88 -77.33 -22.58 60.13 1.33 38.54 26.27 14.40 20.50 28.38 9.10 0.04 0.62 0.68 81 D C C 93.39 4.38 13.08 18.81 101.85 54.74 -85.46 21.97 62.92 1.79 35.29 32.32 11.13 19.96 23.77 11.04 0.02 0.94 0.82 82 V C C 68.03 10.53 10.13 21.23 102.42 103.06 -85.52 -7.62 64.15 3.48 32.36 35.46 12.61 16.77 22.03 9.77 0.04 1.90 1.43 83 Y C C 125.92 7.26 9.56 18.11 109.02 67.83 -94.05 85.97 74.59 2.67 22.75 57.25 2.92 14.99 16.87 5.13 0.00 1.60 1.24 84 E C C 138.05 2.92 13.63 18.00 109.83 -137.89 -88.67 116.71 99.85 0.07 0.08 99.71 0.10 0.10 0.04 0.00 0.00 0.03 0.01