# 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 104.63 6.52 11.64 19.42 116.10 -152.06 -89.17 138.23 99.91 0.05 0.04 99.77 0.12 0.05 0.02 0.00 0.00 0.02 0.01 1 A C C 72.46 3.74 11.06 16.28 106.20 -106.48 -69.95 125.26 77.85 0.90 21.24 70.43 1.21 7.43 17.01 3.00 0.00 0.43 0.49 2 S C C 73.03 3.55 10.62 15.60 106.26 -107.33 -75.32 120.84 72.81 1.18 26.01 45.87 11.63 14.80 21.51 5.00 0.00 0.52 0.67 3 T C H 77.47 6.51 10.54 18.30 98.19 44.05 -74.99 -19.67 51.79 0.92 47.29 34.49 9.19 8.52 42.56 4.39 0.01 0.39 0.45 4 K H H 120.69 3.93 13.84 18.96 95.29 65.12 -67.55 -38.27 14.99 0.17 84.84 10.31 2.92 2.55 82.73 1.38 0.00 0.07 0.05 5 P H H 73.78 4.07 14.61 19.75 93.80 51.56 -66.53 -39.82 8.39 0.17 91.44 5.92 0.96 2.03 89.59 1.37 0.00 0.10 0.04 6 L H H 77.70 7.16 14.45 22.61 93.15 50.40 -66.71 -38.73 3.47 0.10 96.43 2.01 0.45 1.18 95.11 1.16 0.00 0.06 0.02 7 I H H 80.70 6.08 15.85 23.00 92.84 51.46 -65.77 -40.17 2.02 0.06 97.92 1.03 0.27 0.75 97.21 0.69 0.00 0.04 0.01 8 V H H 79.94 2.94 17.86 20.77 92.55 50.29 -65.40 -41.53 1.65 0.03 98.32 0.66 0.21 0.73 97.89 0.48 0.00 0.02 0.00 9 A H H 48.51 5.29 16.84 23.09 92.53 50.00 -65.08 -41.20 1.92 0.03 98.06 0.57 0.21 0.98 97.77 0.44 0.00 0.01 0.01 10 A H H 38.54 8.97 15.47 25.56 92.44 50.75 -65.00 -40.64 2.35 0.02 97.62 0.72 0.26 1.19 97.40 0.41 0.00 0.01 0.01 11 K H H 111.21 3.84 18.27 22.65 92.17 51.16 -64.80 -40.33 2.64 0.02 97.34 0.87 0.29 1.28 97.07 0.47 0.00 0.01 0.01 12 T H H 71.03 3.17 18.04 21.27 92.37 50.22 -65.62 -40.85 2.76 0.03 97.20 0.93 0.30 1.37 96.74 0.62 0.00 0.02 0.01 13 L H H 67.89 7.60 16.37 24.90 92.29 50.08 -65.16 -41.31 2.64 0.04 97.33 0.83 0.30 1.37 96.71 0.75 0.00 0.02 0.01 14 R H H 107.88 7.94 16.37 25.09 91.82 51.58 -64.42 -40.02 3.06 0.04 96.90 0.92 0.35 1.65 96.11 0.93 0.01 0.02 0.01 15 N H H 88.74 2.95 17.57 20.73 92.03 51.35 -65.25 -39.48 5.06 0.08 94.86 1.34 0.58 3.09 93.24 1.68 0.01 0.04 0.02 16 R H H 121.44 4.36 16.96 21.84 92.53 51.20 -66.29 -39.73 7.80 0.19 92.00 2.23 1.03 4.71 89.27 2.54 0.03 0.12 0.05 17 I H H 58.46 10.55 13.67 25.23 92.67 51.13 -66.86 -39.02 13.12 0.90 85.98 6.04 2.32 5.88 81.39 3.47 0.06 0.62 0.22 18 H H H 105.42 6.08 15.36 22.60 92.38 53.12 -67.22 -36.08 24.68 3.07 72.25 14.10 4.00 8.71 66.41 3.83 0.08 2.08 0.78 19 F H H 133.69 3.23 15.66 19.33 94.35 52.37 -74.92 -29.11 36.18 3.97 59.85 20.89 5.36 11.87 54.36 3.82 0.07 2.49 1.14 20 R H H 129.05 6.10 13.88 20.94 98.81 53.62 -83.60 -17.41 44.44 5.20 50.36 24.07 8.16 14.36 45.04 3.53 0.12 2.92 1.82 21 S C C 57.39 8.71 11.65 21.21 106.89 56.77 -91.79 10.58 66.72 3.89 29.40 29.34 14.94 23.08 25.52 3.53 0.08 1.83 1.68 22 G C C 48.69 3.93 12.73 18.07 110.86 -127.70 89.68 163.03 88.84 2.68 8.48 43.52 19.10 27.00 4.17 3.62 0.00 1.28 1.30 23 S C C 79.54 4.05 11.27 16.90 107.79 -91.60 -89.31 57.90 89.04 3.49 7.47 43.28 23.36 22.91 2.21 4.82 0.00 1.60 1.81 24 T C C 101.51 2.87 10.96 15.32 106.91 102.50 -92.10 73.21 89.87 2.94 7.19 37.57 27.23 25.49 1.57 5.28 0.00 1.35 1.50 25 S C C 75.30 4.31 10.52 16.57 111.70 134.46 -92.60 120.42 91.24 2.92 5.84 35.77 32.49 23.29 1.21 4.39 0.00 1.34 1.50 26 T C C 101.17 3.01 11.69 16.15 109.50 -142.29 -94.01 89.99 92.41 3.72 3.87 43.06 33.51 15.86 0.95 2.89 0.00 1.67 2.05 27 G C C 35.37 5.88 12.26 19.61 128.53 24.47 145.63 177.41 93.96 3.60 2.43 53.77 35.09 5.03 0.77 1.64 0.00 1.55 2.15 28 P C C 89.82 5.01 13.70 19.92 106.38 -51.20 -69.85 141.23 84.04 3.07 12.89 45.62 18.29 20.16 2.76 10.11 0.00 1.53 1.52 29 S C C 65.67 7.12 12.45 20.70 107.04 -115.05 -84.98 86.14 76.34 5.26 18.39 44.29 14.19 17.90 3.95 14.56 0.01 2.75 2.35 30 R C C 129.46 7.32 13.98 22.24 101.89 73.24 -85.98 0.70 67.19 7.51 25.31 33.85 15.16 19.66 5.30 18.93 0.04 3.98 3.08 31 W C C 132.11 9.13 13.62 23.37 102.09 72.47 -89.05 8.01 68.32 8.41 23.28 27.53 16.56 26.32 5.12 16.54 0.11 4.72 3.10 32 A C C 61.51 7.59 13.84 22.55 106.84 81.99 -94.97 42.33 72.77 12.04 15.19 33.77 21.34 18.74 3.97 10.62 0.09 6.57 4.89 33 T C C 60.04 8.33 11.24 21.13 119.32 97.64 -107.90 137.94 88.49 10.20 1.30 48.64 37.95 2.55 0.49 0.81 0.00 4.95 4.60 34 P C C 97.29 3.62 13.13 18.18 109.05 -106.31 -68.06 142.85 91.41 4.69 3.90 44.86 21.55 25.31 0.71 3.31 0.00 2.66 1.59 35 G C C 48.77 4.30 11.70 17.43 114.68 14.96 88.10 -27.40 91.19 3.23 5.58 36.89 25.94 28.50 0.88 4.83 0.00 1.61 1.36 36 H C C 129.93 4.68 11.04 17.01 105.83 -30.77 -93.03 26.70 85.61 5.95 8.44 49.10 21.33 14.89 1.63 7.10 0.01 2.90 3.03 37 E C C 113.50 5.65 10.28 17.52 110.44 111.51 -92.13 115.36 85.10 7.89 7.01 50.70 23.73 10.49 1.73 5.33 0.00 3.86 4.17 38 E C C 135.46 2.84 13.48 17.57 113.96 -138.74 -95.43 128.08 90.60 6.55 2.85 56.56 29.56 4.28 0.95 1.89 0.00 3.00 3.77 39 R C C 130.42 7.21 12.36 21.06 117.71 -114.89 -78.82 142.36 95.99 2.91 1.09 69.65 23.16 3.23 0.32 0.76 0.00 1.42 1.46 40 P C C 54.92 11.54 11.20 23.54 113.81 -103.99 -67.08 147.13 96.31 2.09 1.60 80.76 9.45 5.98 0.42 1.15 0.00 0.98 1.26 41 K C C 139.71 3.27 15.72 20.08 114.08 -150.49 -102.21 129.38 88.73 9.18 2.09 66.85 15.66 4.81 0.73 1.34 0.00 3.34 7.25 42 G C C 27.05 9.72 10.40 21.07 122.30 116.63 -111.12 167.60 84.38 11.21 4.41 48.71 27.49 7.61 1.56 2.67 0.01 4.12 7.84 43 Y C T 143.63 4.27 13.64 18.94 97.05 -107.58 -73.30 -31.04 55.39 10.04 34.57 11.43 16.75 29.00 5.03 27.28 0.33 3.89 6.30 44 F C T 124.59 5.80 12.30 19.02 97.66 43.70 -75.09 -32.56 61.62 2.44 35.94 3.97 9.52 47.32 2.71 33.76 0.04 1.46 1.22 45 M C T 96.30 6.20 10.91 18.52 100.81 37.60 -96.80 5.28 60.83 1.77 37.40 4.72 9.42 45.91 3.00 34.90 0.03 1.00 1.03 46 N C T 122.28 2.53 12.72 16.56 98.12 -121.54 59.48 32.95 88.01 5.15 6.84 33.15 18.96 36.18 1.45 5.27 0.01 2.38 2.60 47 R C C 114.87 5.80 10.62 18.41 123.30 133.37 -105.82 146.91 84.90 14.27 0.84 64.94 18.00 1.47 0.35 0.51 0.00 4.87 9.86 48 T C C 104.93 2.14 15.01 18.06 114.64 -115.89 -89.79 131.17 95.21 4.70 0.09 86.54 8.68 0.27 0.03 0.06 0.00 2.18 2.24 49 P C C 58.97 12.59 9.62 22.45 117.19 -109.47 -68.07 148.36 99.00 0.97 0.03 95.09 3.81 0.12 0.01 0.01 0.00 0.34 0.62 50 P C C 60.02 6.89 10.88 19.82 116.78 -105.03 -65.79 152.60 99.57 0.41 0.03 96.38 3.07 0.08 0.01 0.01 0.00 0.11 0.35 51 P C C 95.81 2.08 12.89 15.70 115.61 -97.22 -64.81 151.77 99.49 0.33 0.19 91.60 6.43 1.29 0.04 0.16 0.00 0.09 0.38 52 P C T 115.41 2.16 9.38 13.36 110.19 -80.11 -60.67 135.83 98.90 0.15 0.94 2.06 5.89 90.87 0.07 0.93 0.00 0.07 0.10 53 G C T 66.15 0.60 11.22 10.95 96.45 17.06 85.66 -1.44 98.94 0.11 0.95 2.57 5.80 90.44 0.07 1.02 0.00 0.06 0.04 54 Q C C 106.36 3.46 8.87 14.47 121.78 109.94 -98.80 147.52 94.54 4.67 0.78 68.20 24.59 1.36 0.21 0.60 0.00 1.64 3.40 55 S C C 83.89 2.22 11.34 15.17 121.78 -146.01 -103.13 148.05 92.46 7.03 0.51 88.92 3.16 0.64 0.18 0.26 0.00 4.30 2.54 56 R C C 112.30 10.11 8.49 19.26 117.23 -121.86 -92.24 140.19 78.34 20.06 1.60 72.69 3.85 0.89 0.93 0.66 0.00 11.28 9.69 57 K C C 142.21 2.30 14.39 17.60 116.99 -130.41 -91.32 138.29 84.93 11.34 3.74 76.17 6.31 2.13 2.02 1.71 0.00 8.41 3.26 58 W C C 143.45 7.96 9.66 18.96 113.01 -113.12 -79.89 133.78 81.93 8.58 9.49 69.32 7.78 4.50 4.86 4.61 0.00 5.52 3.41 59 E C C 90.89 6.18 10.52 18.30 119.19 -163.53 -104.83 144.69 73.35 4.05 22.59 54.36 10.77 7.73 11.14 11.78 0.01 2.11 2.11 60 D H G 118.27 1.48 12.65 14.59 94.73 -105.43 -61.69 -32.89 45.13 0.89 53.98 8.76 7.99 27.93 13.66 40.67 0.05 0.48 0.47 61 W H G 158.19 3.66 12.18 17.01 95.46 58.49 -81.22 -14.87 43.13 0.49 56.38 5.15 5.66 30.49 15.62 42.48 0.04 0.26 0.30 62 E H G 59.81 11.29 10.22 22.22 96.85 66.57 -77.77 -21.37 28.79 0.74 70.46 8.68 5.02 14.90 34.86 35.68 0.09 0.37 0.39 63 L H H 77.82 5.75 13.42 20.76 93.92 72.55 -63.61 -42.54 7.32 0.03 92.65 2.93 1.69 2.85 91.41 1.08 0.00 0.01 0.02 64 P H H 81.25 2.26 16.19 18.09 92.60 50.47 -64.86 -39.62 2.72 0.01 97.27 0.57 0.28 1.70 96.56 0.87 0.00 0.00 0.00 65 C H H 61.22 4.75 14.75 20.82 92.39 50.67 -66.32 -39.79 1.13 0.00 98.87 0.21 0.10 0.73 98.24 0.71 0.00 0.00 0.00 66 Y H H 90.64 7.81 13.78 22.88 92.44 50.39 -65.23 -41.47 0.62 0.00 99.37 0.11 0.05 0.40 99.13 0.30 0.00 0.00 0.00 67 I H H 94.28 2.74 16.61 19.56 92.05 49.00 -64.73 -41.78 0.54 0.00 99.45 0.06 0.03 0.40 99.31 0.19 0.00 0.00 0.00 68 T H H 72.53 2.51 16.49 19.07 92.10 48.91 -65.41 -41.19 1.10 0.00 98.90 0.09 0.06 0.90 98.72 0.23 0.00 0.00 0.00 69 S H H 46.05 6.08 14.76 22.38 92.23 50.37 -65.41 -40.66 2.33 0.00 97.67 0.13 0.11 2.08 97.35 0.33 0.00 0.00 0.00 70 F H H 102.70 4.57 15.85 21.31 92.18 49.94 -65.10 -41.45 1.45 0.00 98.55 0.08 0.08 1.28 98.36 0.21 0.00 0.00 0.00 71 L H H 92.49 2.16 17.06 18.78 91.97 50.07 -64.83 -41.57 0.54 0.00 99.46 0.07 0.03 0.36 99.44 0.11 0.00 0.00 0.00 72 T H H 66.37 3.42 15.97 20.16 92.24 49.85 -65.35 -40.83 0.28 0.00 99.72 0.04 0.01 0.18 99.69 0.07 0.00 0.00 0.00 73 I H H 81.50 5.16 15.53 21.74 92.23 49.58 -65.35 -41.54 0.10 0.00 99.90 0.01 0.00 0.07 99.87 0.05 0.00 0.00 0.00 74 V H H 81.01 3.19 16.35 19.99 91.84 49.75 -64.54 -42.07 0.09 0.00 99.91 0.01 0.00 0.07 99.87 0.05 0.00 0.00 0.00 75 I H H 101.25 1.94 17.20 18.52 92.06 48.73 -65.25 -41.44 0.15 0.00 99.85 0.01 0.00 0.12 99.80 0.07 0.00 0.00 0.00 76 L H H 85.62 3.59 15.85 20.17 92.04 49.69 -65.26 -40.68 0.32 0.00 99.68 0.02 0.01 0.25 99.57 0.16 0.00 0.00 0.00 77 G H H 31.30 4.85 14.25 20.47 92.33 51.31 -64.41 -41.54 1.03 0.00 98.96 0.07 0.05 0.83 98.61 0.43 0.00 0.00 0.00 78 V H H 86.29 2.11 16.16 18.02 92.15 49.26 -65.31 -40.82 1.70 0.00 98.29 0.08 0.09 1.46 97.57 0.79 0.00 0.00 0.00 79 G H H 37.54 2.77 14.79 18.19 92.25 50.82 -65.14 -39.93 3.05 0.01 96.94 0.22 0.20 2.46 94.85 2.25 0.00 0.00 0.00 80 L H H 88.98 4.93 13.32 19.64 92.49 51.45 -67.39 -34.86 9.01 0.03 90.96 0.53 0.56 7.68 84.34 6.84 0.02 0.01 0.02 81 N H H 108.19 3.10 13.69 17.68 92.77 55.86 -74.61 -20.12 23.86 0.07 76.07 1.37 1.61 20.56 70.90 5.43 0.05 0.03 0.05 82 A C H 78.32 2.42 13.09 16.21 97.98 58.06 -86.78 -3.44 50.14 0.78 49.08 9.93 11.71 30.48 41.88 4.93 0.16 0.27 0.63 83 K C C 120.73 4.97 11.01 18.13 116.53 106.47 -88.08 134.63 98.52 1.06 0.43 55.53 42.02 1.08 0.22 0.16 0.00 0.33 0.64 84 P C C 84.04 5.19 12.68 19.48 113.95 -108.64 -67.53 148.32 96.47 1.21 2.32 68.94 12.09 15.28 0.52 1.87 0.00 0.72 0.57 85 D C C 88.87 6.95 12.28 20.74 109.58 -112.88 -81.37 119.28 94.69 2.38 2.93 62.17 14.44 17.96 0.77 2.14 0.00 1.22 1.30 86 L C C 93.84 6.93 12.95 21.36 103.03 -175.93 -102.08 9.69 93.43 2.62 3.95 62.31 25.60 5.52 1.54 2.17 0.00 1.08 1.78 87 S C C 49.33 4.74 15.61 21.47 120.99 126.48 -84.18 163.83 88.47 5.29 6.25 50.73 35.98 1.75 5.52 0.80 0.00 1.16 4.05 88 I H H 93.61 7.92 13.54 22.56 91.95 -104.72 -61.42 -37.07 3.89 0.03 96.08 0.90 0.90 1.98 95.53 0.67 0.01 0.01 0.01 89 E H H 110.57 4.52 15.84 21.23 92.13 53.68 -64.82 -39.97 2.43 0.01 97.55 0.46 0.28 1.50 97.03 0.72 0.00 0.01 0.00 90 T H H 53.74 4.58 15.78 21.79 92.47 49.60 -65.21 -41.31 1.46 0.01 98.53 0.35 0.16 0.83 97.97 0.69 0.00 0.00 0.00 91 W H H 101.93 5.28 16.41 22.89 92.03 50.28 -63.99 -42.39 0.51 0.00 99.49 0.12 0.05 0.27 99.31 0.25 0.00 0.00 0.00 92 A H H 37.59 7.23 15.65 24.46 91.82 50.50 -64.10 -41.74 0.47 0.00 99.53 0.09 0.03 0.27 99.48 0.13 0.00 0.00 0.00 93 H H H 97.27 5.06 17.35 23.12 92.16 49.92 -65.43 -41.00 0.39 0.00 99.61 0.06 0.03 0.23 99.61 0.08 0.00 0.00 0.00 94 Q H H 99.39 2.80 18.95 21.50 92.19 49.91 -65.00 -41.47 0.29 0.00 99.71 0.05 0.02 0.16 99.73 0.04 0.00 0.00 0.00 95 K H H 102.17 3.66 18.55 22.41 91.92 49.42 -65.00 -41.07 0.28 0.00 99.72 0.05 0.02 0.15 99.76 0.03 0.00 0.00 0.00 96 A H H 36.12 6.08 15.53 23.45 91.63 50.91 -63.52 -41.51 0.27 0.00 99.73 0.06 0.01 0.13 99.77 0.03 0.00 0.00 0.00 97 L H H 82.44 3.34 17.58 21.35 91.77 50.19 -64.32 -41.25 0.24 0.00 99.76 0.04 0.01 0.12 99.80 0.03 0.00 0.00 0.00 98 E H H 101.07 2.33 17.76 19.71 91.71 50.57 -64.27 -41.36 0.29 0.00 99.71 0.05 0.01 0.15 99.76 0.03 0.00 0.00 0.00 99 R H H 118.83 3.17 16.56 20.10 91.83 50.25 -64.69 -41.47 0.36 0.00 99.64 0.07 0.02 0.18 99.70 0.04 0.00 0.00 0.00 100 L H H 77.67 3.78 15.17 19.90 91.89 50.17 -64.50 -40.87 0.38 0.00 99.61 0.08 0.02 0.19 99.65 0.06 0.00 0.00 0.00 101 E H H 106.66 2.08 15.86 17.83 91.85 50.45 -64.29 -40.44 0.69 0.00 99.31 0.11 0.04 0.38 99.37 0.09 0.00 0.00 0.00 102 M H H 101.24 2.22 14.54 17.02 92.14 50.53 -65.55 -40.19 1.22 0.00 98.77 0.22 0.10 0.70 98.80 0.18 0.00 0.00 0.00 103 E H H 110.00 2.39 14.08 16.98 92.41 50.87 -65.79 -39.73 2.17 0.01 97.82 0.46 0.20 1.24 97.72 0.37 0.00 0.01 0.00 104 K H H 126.51 1.96 13.61 15.96 92.82 51.49 -66.90 -38.70 5.36 0.03 94.61 1.14 0.52 3.40 94.04 0.86 0.01 0.01 0.01 105 L H H 103.82 2.01 12.52 15.04 93.45 51.43 -67.26 -37.70 8.51 0.08 91.41 2.32 1.16 4.89 90.13 1.42 0.01 0.03 0.03 106 A H H 74.14 2.02 11.54 14.34 94.43 53.77 -71.34 -31.67 19.30 0.22 80.49 6.74 3.03 9.70 78.37 1.95 0.02 0.09 0.10 107 S H H 77.24 2.20 10.81 14.04 99.26 55.92 -81.00 -10.87 39.34 0.51 60.15 14.66 6.91 18.59 56.85 2.49 0.03 0.20 0.27 108 A C H 78.70 2.32 9.35 13.10 102.83 69.12 -78.98 -9.38 57.57 0.70 41.72 25.21 16.44 16.45 38.08 3.12 0.03 0.25 0.42 109 G C C 57.15 1.88 9.75 12.77 105.47 41.00 -62.35 -11.29 69.28 1.00 29.72 38.07 12.37 19.52 22.36 6.62 0.01 0.44 0.61 110 D C C 119.29 1.41 8.96 11.40 103.54 55.68 -86.49 17.93 72.88 1.76 25.36 39.70 14.48 19.40 16.43 8.16 0.01 0.82 0.99 111 S C C 85.46 2.26 7.45 11.42 106.08 93.35 -87.87 54.51 77.61 2.61 19.79 47.49 13.46 17.12 12.23 7.02 0.01 1.30 1.38 112 S C C 90.57 1.66 8.25 11.35 107.57 150.83 -89.05 77.90 90.76 1.45 7.79 78.79 2.39 10.40 4.93 1.95 0.00 0.82 0.73 113 G C C 55.51 2.36 11.60 15.29 111.11 -63.89 82.05 -3.28 99.91 0.07 0.02 99.66 0.18 0.10 0.01 0.00 0.00 0.03 0.01