# 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 109.38 5.32 11.07 17.86 115.02 -155.86 -91.27 137.62 99.92 0.04 0.04 99.86 0.06 0.04 0.02 0.00 0.00 0.02 0.01 1 A C C 78.08 2.80 9.82 14.06 106.48 -125.91 -76.43 110.16 71.64 1.14 27.22 64.71 1.22 5.78 25.39 1.85 0.00 0.49 0.56 2 V C H 100.57 3.19 8.75 13.51 102.76 72.45 -82.16 -7.94 54.77 0.98 44.25 37.89 8.35 8.34 41.77 2.80 0.00 0.42 0.43 3 S H H 69.99 2.69 11.35 15.09 103.81 62.32 -77.02 -17.54 46.29 0.54 53.17 34.05 5.67 6.18 51.16 2.49 0.00 0.22 0.22 4 T H H 79.54 3.98 11.21 16.56 96.18 56.08 -69.77 -33.95 26.14 0.31 73.55 17.88 4.12 4.83 70.92 2.01 0.00 0.12 0.12 5 E H H 108.74 4.24 11.71 17.19 93.92 56.04 -67.11 -37.90 11.65 0.16 88.19 7.33 1.79 3.10 86.16 1.48 0.00 0.08 0.06 6 L H H 107.46 1.66 13.51 15.15 92.76 51.64 -65.93 -39.56 5.70 0.09 94.21 2.98 0.88 2.15 92.84 1.07 0.00 0.05 0.03 7 L H H 95.35 2.18 13.99 16.49 92.43 50.41 -65.90 -40.58 3.98 0.08 95.94 1.95 0.59 1.66 94.95 0.77 0.00 0.04 0.03 8 V H H 65.74 5.32 12.98 19.83 92.41 50.20 -65.06 -41.67 2.27 0.04 97.69 1.03 0.32 0.97 97.24 0.41 0.00 0.02 0.01 9 L H H 92.10 3.47 14.87 18.99 92.10 50.30 -64.53 -41.02 1.34 0.02 98.64 0.46 0.15 0.64 98.44 0.29 0.00 0.01 0.00 10 G H H 42.63 1.55 16.26 16.87 91.86 50.05 -64.33 -41.28 1.53 0.02 98.45 0.41 0.15 0.85 98.24 0.33 0.00 0.01 0.01 11 V H H 78.45 3.15 15.59 19.27 92.35 49.12 -65.33 -41.63 1.66 0.05 98.29 0.42 0.16 0.95 98.06 0.36 0.00 0.04 0.01 12 Y H H 104.69 6.28 14.34 21.63 92.10 50.05 -64.52 -41.38 1.68 0.15 98.18 0.52 0.18 0.85 97.89 0.39 0.00 0.14 0.02 13 G H H 39.82 2.66 15.99 18.84 91.93 50.47 -63.82 -41.19 2.38 0.25 97.37 0.54 0.22 1.40 96.95 0.55 0.01 0.29 0.03 14 A H H 66.98 1.47 16.96 17.20 92.12 49.88 -64.81 -41.23 3.10 0.63 96.27 0.67 0.31 1.91 95.57 0.75 0.01 0.72 0.06 15 L H H 82.63 4.05 15.47 20.33 92.14 48.63 -65.60 -41.10 3.91 1.81 94.28 1.11 0.45 2.19 93.10 1.05 0.01 1.97 0.11 16 A H H 46.47 6.05 13.87 21.12 91.92 51.29 -63.53 -41.00 6.00 2.68 91.32 1.59 0.65 3.62 89.03 2.30 0.01 2.64 0.16 17 G H H 40.32 2.14 16.04 17.93 92.32 50.75 -64.36 -40.61 10.81 3.01 86.18 1.87 0.99 7.79 83.24 3.16 0.02 2.74 0.19 18 L H H 95.96 1.91 15.70 17.24 92.39 50.19 -65.67 -39.96 9.87 4.05 86.07 2.33 1.00 6.56 81.70 4.55 0.03 3.64 0.21 19 Y H H 111.91 5.40 13.20 19.76 92.88 50.28 -66.94 -38.89 8.20 4.12 87.69 2.37 0.96 5.09 80.78 6.84 0.04 3.67 0.26 20 L H H 96.56 4.39 13.42 18.72 92.73 50.85 -67.09 -36.64 10.82 3.21 85.97 1.73 0.97 8.03 77.55 8.65 0.06 2.67 0.34 21 L H H 116.01 1.40 15.00 15.68 94.51 47.37 -72.08 -35.13 24.79 1.58 73.63 1.29 1.53 21.87 67.01 6.60 0.14 1.30 0.26 22 V H H 87.98 2.59 14.79 17.58 97.48 43.13 -77.39 -36.85 21.78 0.61 77.61 1.21 1.90 18.86 74.57 2.61 0.20 0.41 0.23 23 V H H 62.80 6.29 13.37 20.85 94.79 55.84 -67.36 -41.21 9.00 0.13 90.87 4.31 2.28 2.53 89.95 0.81 0.00 0.06 0.04 24 P H H 63.01 5.39 13.79 20.66 92.58 53.26 -63.25 -40.59 3.39 0.03 96.58 1.49 0.30 1.36 96.06 0.76 0.00 0.01 0.01 25 A H H 65.46 1.96 16.47 17.98 92.52 50.88 -64.93 -39.94 0.75 0.01 99.25 0.18 0.06 0.41 98.76 0.57 0.00 0.00 0.00 26 I H H 95.91 2.51 16.46 18.82 92.46 48.97 -65.70 -40.88 0.42 0.01 99.57 0.09 0.03 0.23 99.36 0.28 0.00 0.00 0.00 27 V H H 57.19 7.32 14.08 22.61 92.33 49.24 -65.21 -41.72 0.36 0.01 99.64 0.06 0.02 0.21 99.58 0.11 0.00 0.00 0.00 28 Y H H 113.42 4.90 15.19 21.22 92.03 50.84 -64.05 -41.02 0.27 0.00 99.73 0.03 0.02 0.17 99.71 0.07 0.00 0.00 0.00 29 A H H 63.20 1.72 16.89 17.76 91.87 50.49 -64.37 -41.62 0.33 0.00 99.67 0.04 0.02 0.22 99.64 0.09 0.00 0.00 0.00 30 Y H H 116.32 3.32 15.91 19.71 92.14 49.15 -64.96 -41.34 0.45 0.00 99.55 0.04 0.02 0.32 99.47 0.14 0.00 0.00 0.00 31 L H H 60.67 7.53 13.46 22.54 92.13 50.25 -64.93 -40.47 0.72 0.00 99.27 0.08 0.04 0.52 99.08 0.27 0.00 0.00 0.00 32 N H H 87.84 2.95 15.81 19.30 92.01 51.40 -64.45 -39.83 2.32 0.00 97.68 0.19 0.14 1.83 97.19 0.64 0.00 0.00 0.00 33 A H H 61.58 2.02 15.81 17.61 92.09 51.16 -65.68 -39.81 6.29 0.01 93.70 0.51 0.46 5.05 92.42 1.54 0.01 0.01 0.01 34 R H H 111.51 5.42 13.35 20.01 93.01 50.40 -68.39 -36.24 11.79 0.06 88.15 1.70 1.27 8.60 84.56 3.79 0.03 0.03 0.03 35 W H H 130.59 6.95 11.76 19.89 93.64 56.46 -69.48 -29.19 23.35 0.21 76.44 4.72 2.62 15.92 69.88 6.58 0.06 0.11 0.12 36 Y H H 168.15 1.50 14.04 15.41 96.89 48.48 -82.66 -20.41 32.39 0.54 67.07 8.40 4.94 19.93 61.26 4.81 0.11 0.25 0.30 37 V H H 106.88 1.80 13.38 15.31 104.40 47.48 -96.64 -1.85 43.31 1.56 55.12 18.20 10.64 15.96 50.78 2.92 0.09 0.65 0.76 38 A C C 46.18 9.49 8.08 18.56 116.64 101.80 -87.34 145.96 68.65 1.77 29.58 45.55 12.68 7.91 30.66 1.70 0.01 0.72 0.77 39 S C C 57.78 2.57 14.21 17.21 120.80 -131.14 -86.16 167.67 72.40 1.54 26.06 57.37 6.17 5.81 27.88 1.43 0.00 0.61 0.73 40 S H H 84.24 2.22 11.70 15.19 92.63 -96.80 -61.37 -36.68 9.22 0.10 90.68 3.73 2.22 3.39 89.84 0.74 0.01 0.03 0.05 41 F H H 151.10 0.88 13.94 13.54 92.00 51.61 -65.26 -39.72 2.74 0.02 97.24 0.71 0.38 1.45 96.95 0.49 0.00 0.01 0.00 42 E H H 82.86 4.82 12.64 19.13 92.31 49.41 -66.01 -39.92 1.53 0.03 98.45 0.57 0.17 0.73 98.05 0.46 0.00 0.02 0.01 43 R H H 90.96 8.28 12.23 21.89 91.83 51.78 -63.94 -40.86 0.64 0.01 99.36 0.23 0.06 0.29 99.25 0.17 0.00 0.00 0.00 44 A H H 62.24 2.08 16.15 18.04 91.59 50.68 -64.43 -41.01 0.26 0.00 99.74 0.06 0.02 0.14 99.71 0.07 0.00 0.00 0.00 45 F H H 120.68 1.74 16.79 17.69 91.75 49.75 -64.75 -41.16 0.16 0.00 99.84 0.02 0.01 0.09 99.82 0.06 0.00 0.00 0.00 46 M H H 62.80 8.34 13.85 23.56 91.96 50.11 -64.76 -41.47 0.17 0.00 99.83 0.02 0.01 0.11 99.79 0.07 0.00 0.00 0.00 47 Y H H 105.30 6.72 14.89 22.82 91.86 51.11 -63.79 -41.56 0.23 0.00 99.77 0.02 0.01 0.16 99.67 0.13 0.00 0.00 0.00 48 F H H 127.80 1.52 17.31 17.69 91.93 50.21 -64.74 -40.78 0.42 0.00 99.58 0.03 0.01 0.35 99.34 0.26 0.00 0.00 0.00 49 L H H 82.68 3.60 16.02 20.24 92.19 49.95 -65.45 -40.62 0.65 0.00 99.35 0.03 0.02 0.58 98.79 0.57 0.00 0.00 0.00 50 V H H 46.13 10.17 12.58 23.93 92.15 50.19 -64.98 -40.86 0.65 0.00 99.34 0.04 0.03 0.55 97.49 1.89 0.00 0.00 0.00 51 T H H 73.48 4.77 14.68 20.58 92.40 51.05 -66.45 -37.12 1.57 0.00 98.43 0.04 0.05 1.51 94.09 4.32 0.00 0.00 0.00 52 F H H 144.60 1.41 15.97 16.48 93.82 48.55 -71.88 -35.11 8.97 0.00 91.03 0.10 0.19 9.46 86.15 4.09 0.01 0.00 0.00 53 F H H 110.83 5.23 13.79 20.05 99.00 40.75 -88.91 -23.80 21.58 0.03 78.40 0.44 1.13 20.44 75.38 2.55 0.03 0.01 0.02 54 F C H 81.95 9.49 11.57 22.05 103.80 59.35 -91.36 26.86 57.25 0.43 42.32 30.28 19.44 8.02 39.24 2.57 0.01 0.12 0.33 55 P H H 77.91 3.14 15.24 19.18 93.65 110.67 -63.06 -35.81 25.39 0.11 74.50 3.97 2.33 18.31 64.18 11.05 0.04 0.06 0.07 56 G H H 34.69 4.60 14.76 20.44 93.20 53.64 -65.08 -36.78 14.54 0.07 85.39 1.83 1.16 10.60 71.90 14.40 0.03 0.04 0.04 57 L H H 71.44 7.87 13.02 22.01 92.58 54.05 -66.17 -37.92 3.07 0.02 96.90 0.47 0.28 1.97 82.27 14.99 0.00 0.02 0.00 58 L H H 95.08 4.20 14.29 19.68 92.37 53.27 -65.44 -38.02 2.48 0.01 97.50 0.21 0.15 1.88 80.73 17.01 0.00 0.01 0.00 59 L H H 106.34 2.29 15.04 17.50 92.81 51.22 -67.78 -35.60 9.79 0.02 90.19 0.26 0.35 8.60 70.52 20.24 0.01 0.01 0.01 60 L H H 83.75 5.53 13.20 19.88 95.05 48.74 -78.71 -22.90 18.63 0.03 81.35 0.54 0.95 16.28 66.33 15.83 0.03 0.01 0.02 61 A H H 44.96 7.15 11.08 20.19 93.09 75.94 -61.90 -39.52 12.47 0.07 87.46 2.00 1.25 7.79 44.74 44.14 0.01 0.04 0.03 62 P H G 83.10 3.11 13.41 17.56 92.45 54.43 -67.34 -29.22 11.38 0.07 88.55 1.19 0.79 7.93 42.73 47.29 0.01 0.04 0.02 63 F H G 131.63 3.35 12.41 16.71 95.23 54.96 -75.04 -24.74 10.55 0.16 89.29 1.62 1.11 6.64 44.20 46.27 0.02 0.10 0.04 64 I H H 103.53 5.06 10.65 17.09 99.96 60.98 -83.32 -8.88 34.60 2.52 62.87 11.05 7.28 15.90 39.35 23.69 0.28 1.29 1.15 65 N C T 112.75 2.67 11.07 15.09 104.34 63.89 -90.87 69.38 70.42 3.51 26.07 27.00 14.15 30.14 16.17 9.09 0.04 2.06 1.33 66 F C C 139.97 3.89 9.12 14.85 111.40 133.55 -92.43 117.09 84.45 6.27 9.28 58.37 14.47 11.46 5.26 3.96 0.00 3.92 2.55 67 R C C 156.09 3.01 9.86 14.80 118.97 -163.45 -105.38 135.98 91.21 8.54 0.26 69.98 21.15 0.60 0.13 0.13 0.00 5.77 2.23 68 P C C 96.34 3.70 9.44 15.11 113.25 -106.93 -68.74 146.05 89.14 10.30 0.56 81.32 6.77 1.04 0.26 0.26 0.00 6.77 3.58 69 Q C C 127.63 2.79 9.44 14.21 116.76 -120.15 -90.76 139.56 97.66 1.22 1.12 88.80 8.04 0.93 0.60 0.38 0.00 0.58 0.67 70 P C C 95.93 3.42 8.92 14.27 111.90 -105.27 -66.90 145.29 83.10 1.17 15.73 70.92 5.46 7.18 5.67 9.54 0.00 0.60 0.64 71 R C C 165.10 2.66 7.78 12.30 108.00 -120.53 -78.53 121.22 72.84 1.18 25.98 50.17 10.76 11.57 8.50 17.77 0.00 0.57 0.65 72 S C C 89.48 1.53 8.63 11.26 106.26 -104.52 -86.40 85.82 69.35 1.50 29.15 44.93 12.22 12.23 8.62 20.50 0.00 0.75 0.75 73 L C C 122.78 2.78 6.70 11.20 103.48 151.34 -84.12 13.88 73.64 1.54 24.82 42.67 14.39 17.03 8.22 16.11 0.00 0.74 0.85 74 N C C 131.99 1.14 8.29 10.40 105.19 75.75 -86.70 44.97 87.21 0.79 12.00 66.96 4.38 16.88 4.51 6.40 0.00 0.40 0.46 75 S C C 82.23 2.87 9.23 13.79 110.20 105.44 -88.79 110.85 99.93 0.03 0.05 99.59 0.20 0.16 0.01 0.01 0.00 0.01 0.01