# 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 129.77 4.19 11.15 16.82 116.25 -158.49 -97.72 132.10 99.81 0.18 0.01 99.78 0.08 0.03 0.00 0.00 0.00 0.08 0.02 1 S C C 82.10 3.24 8.48 13.66 115.81 -151.24 -94.79 137.12 94.10 4.95 0.94 90.92 1.35 2.22 0.34 0.39 0.00 2.72 2.06 2 G C C 57.38 2.29 8.66 12.55 113.34 -146.57 -97.68 144.26 91.93 6.15 1.93 64.18 15.68 11.91 0.46 1.61 0.00 3.74 2.41 3 G C C 54.83 2.72 8.52 12.88 114.81 -66.51 -100.08 163.09 91.65 5.31 3.05 47.77 28.00 16.06 0.57 2.62 0.00 2.87 2.09 4 S C C 92.17 1.67 9.18 12.06 106.22 -93.85 -89.49 30.03 90.00 5.07 4.93 45.55 28.47 16.19 1.04 3.89 0.00 2.51 2.34 5 T C C 104.23 2.27 8.60 12.37 105.29 59.51 -90.35 20.30 89.70 3.41 6.89 39.09 26.34 24.63 1.26 5.50 0.00 1.68 1.51 6 G C C 51.93 2.94 10.13 14.58 111.62 -118.11 64.64 17.44 90.84 3.53 5.64 39.68 31.28 20.27 0.99 4.53 0.00 1.84 1.42 7 E C C 141.85 2.16 10.51 14.08 111.58 6.09 -89.87 120.65 87.81 7.44 4.75 53.89 26.53 7.69 1.34 3.28 0.00 3.77 3.50 8 R C C 119.02 6.59 9.02 17.31 117.81 -134.80 -95.40 136.30 92.92 6.26 0.82 64.58 28.42 0.67 0.57 0.28 0.00 3.31 2.18 9 P C C 70.24 3.82 12.41 17.84 114.05 -106.59 -66.75 151.42 82.95 15.02 2.03 82.09 1.41 0.34 1.90 0.21 0.00 4.68 9.38 10 F H H 142.44 3.09 11.59 16.35 92.64 -113.78 -59.28 -36.64 5.68 0.04 94.27 1.46 0.88 3.34 91.39 2.87 0.01 0.02 0.02 11 S H H 67.40 2.71 13.46 17.02 92.30 55.93 -65.23 -36.84 2.21 0.02 97.77 0.44 0.23 1.41 94.77 3.13 0.00 0.01 0.01 12 D H H 73.29 4.46 13.53 19.41 92.97 52.15 -67.08 -38.20 0.89 0.01 99.09 0.26 0.10 0.48 95.98 3.18 0.00 0.01 0.00 13 I H H 83.69 4.35 13.86 19.58 92.72 51.52 -65.92 -41.14 1.22 0.03 98.75 0.29 0.13 0.71 97.16 1.68 0.00 0.02 0.00 14 I H H 92.96 2.86 15.57 18.79 93.08 49.11 -66.49 -40.55 3.81 0.11 96.08 0.85 0.45 2.40 95.19 1.02 0.01 0.06 0.03 15 T H H 62.89 4.18 14.93 20.35 93.36 49.23 -66.98 -40.44 13.66 0.23 86.11 3.04 1.78 8.25 85.89 0.83 0.02 0.10 0.09 16 S H H 50.05 4.77 14.54 20.80 93.48 53.34 -65.16 -41.07 17.90 0.34 81.76 6.74 2.46 7.68 82.13 0.71 0.01 0.14 0.13 17 V H H 83.15 2.63 16.15 18.93 92.46 50.26 -65.48 -41.35 4.42 0.09 95.49 1.68 0.62 1.91 95.37 0.35 0.00 0.04 0.02 18 R H H 129.29 2.86 16.04 19.38 92.25 50.22 -65.30 -40.84 1.64 0.05 98.31 0.58 0.17 0.82 98.11 0.27 0.00 0.03 0.01 19 Y H H 107.08 5.14 14.91 21.34 92.30 50.12 -65.10 -41.46 0.60 0.04 99.36 0.21 0.06 0.31 99.24 0.15 0.00 0.03 0.00 20 W H H 131.25 3.59 15.57 20.10 92.22 50.44 -64.68 -41.67 0.26 0.02 99.72 0.07 0.02 0.14 99.66 0.09 0.00 0.02 0.00 21 I H H 90.68 2.64 16.22 19.09 92.06 49.06 -64.77 -42.23 0.26 0.02 99.72 0.04 0.02 0.17 99.66 0.09 0.00 0.02 0.00 22 I H H 80.63 4.18 15.40 20.72 92.44 47.88 -65.57 -41.77 0.52 0.03 99.45 0.08 0.04 0.36 99.32 0.17 0.00 0.02 0.00 23 H H H 94.16 5.65 14.33 21.35 92.73 48.17 -66.90 -38.55 1.61 0.01 98.38 0.12 0.08 1.34 98.07 0.37 0.00 0.00 0.00 24 T H H 79.92 3.19 15.56 19.39 96.19 44.61 -76.97 -36.85 8.22 0.01 91.77 0.24 0.34 7.90 90.60 0.90 0.01 0.00 0.01 25 I H H 101.13 2.66 15.81 18.66 102.15 34.94 -89.87 -38.07 36.17 0.04 63.78 0.54 1.50 34.08 62.38 1.41 0.04 0.01 0.04 26 T H H 61.82 5.61 14.68 21.60 100.52 37.79 -85.47 -31.15 31.30 0.06 68.64 1.61 1.97 27.04 67.66 1.62 0.03 0.02 0.05 27 I H H 72.11 6.81 14.40 22.63 92.86 59.28 -63.29 -43.46 5.79 0.02 94.19 1.70 1.15 2.78 93.29 1.06 0.00 0.00 0.01 28 P H H 69.84 3.71 16.64 21.17 92.17 49.88 -64.30 -40.30 3.40 0.02 96.58 1.12 0.33 1.82 95.40 1.31 0.00 0.01 0.01 29 S H H 55.05 3.79 16.86 21.32 92.33 50.86 -65.71 -39.81 0.88 0.00 99.12 0.19 0.07 0.53 97.71 1.49 0.00 0.00 0.00 30 L H H 73.40 6.72 15.89 23.72 92.41 50.11 -65.38 -41.06 0.82 0.01 99.17 0.12 0.06 0.56 98.23 1.02 0.00 0.01 0.00 31 F H H 100.82 6.02 16.75 23.54 92.64 48.98 -65.85 -41.34 1.99 0.06 97.95 0.24 0.16 1.56 97.19 0.78 0.02 0.04 0.01 32 V H H 80.71 2.91 18.38 21.25 92.07 49.03 -65.04 -41.69 2.19 0.05 97.76 0.32 0.21 1.58 97.41 0.43 0.01 0.02 0.01 33 S H H 52.26 4.01 17.74 22.49 91.76 50.88 -64.29 -40.87 3.27 0.03 96.70 0.42 0.26 2.48 96.05 0.75 0.01 0.01 0.01 34 G H H 23.03 8.55 15.16 25.28 92.06 51.47 -64.47 -40.32 4.50 0.02 95.48 0.41 0.30 3.63 94.51 1.11 0.02 0.01 0.01 35 W H H 124.32 5.14 17.06 23.04 92.08 51.54 -64.51 -41.27 2.70 0.04 97.26 0.38 0.27 2.05 95.56 1.70 0.03 0.02 0.01 36 L H H 90.27 2.82 17.88 20.72 92.15 50.40 -65.20 -41.18 3.43 0.11 96.46 0.47 0.38 2.68 94.47 1.86 0.05 0.07 0.02 37 F H H 88.63 5.58 15.69 22.57 92.68 48.76 -66.04 -40.99 6.43 0.40 93.17 1.33 1.00 4.61 90.09 2.42 0.18 0.24 0.13 38 I H H 69.48 8.49 13.87 23.53 93.00 49.72 -65.82 -40.19 10.18 0.68 89.13 2.11 1.54 7.29 84.47 3.59 0.34 0.43 0.24 39 S H H 71.25 3.56 15.26 19.50 93.00 52.50 -68.70 -29.40 19.07 0.37 80.56 2.16 2.08 15.40 77.00 2.80 0.18 0.20 0.17 40 T C T 80.01 3.20 14.76 18.50 96.77 49.31 -87.91 -9.51 64.09 0.37 35.54 2.38 6.14 54.02 34.13 2.83 0.07 0.15 0.28 41 G C T 40.98 6.20 13.34 21.02 96.06 -115.24 77.25 4.39 80.08 0.46 19.46 7.38 9.08 62.00 18.65 2.37 0.02 0.19 0.30 42 L H H 86.40 4.19 14.85 20.27 96.05 115.43 -73.39 -31.53 40.85 0.79 58.36 21.00 7.16 13.88 48.52 8.61 0.04 0.39 0.40 43 A H H 37.23 8.23 12.85 22.74 95.45 57.65 -69.14 -35.43 25.97 1.20 72.83 9.31 5.10 12.90 59.72 11.53 0.20 0.75 0.49 44 Y H H 104.87 6.50 12.95 20.90 95.45 56.95 -70.05 -36.36 14.76 1.22 84.02 5.15 3.13 7.73 69.76 12.74 0.28 0.82 0.39 45 D H H 95.02 3.18 13.36 17.61 95.50 56.80 -71.72 -33.71 14.94 0.94 84.12 4.69 2.72 8.32 70.80 12.29 0.25 0.63 0.30 46 V H H 104.61 2.82 12.41 16.10 96.76 49.44 -74.72 -33.21 21.48 0.74 77.78 3.24 3.61 15.08 66.86 9.88 0.54 0.41 0.37 47 F H H 140.10 2.95 11.16 15.16 100.66 37.19 -96.51 -2.45 35.73 0.89 63.38 3.98 7.32 25.79 56.54 4.85 0.53 0.36 0.63 48 G C C 52.85 2.41 12.63 16.08 106.63 -106.79 83.04 11.56 97.61 0.97 1.42 33.32 31.20 33.31 0.55 0.71 0.00 0.48 0.44 49 T C C 78.72 5.05 10.86 17.67 121.11 52.00 -104.09 142.39 98.40 1.51 0.09 64.98 33.24 0.45 0.03 0.05 0.00 0.65 0.61 50 P C C 76.82 6.39 11.55 19.51 114.39 -104.68 -67.97 148.64 97.56 2.31 0.13 84.27 12.66 0.43 0.05 0.07 0.00 0.76 1.76 51 R C C 120.36 6.30 11.59 19.56 114.66 -115.60 -84.93 130.59 99.25 0.60 0.15 95.28 3.75 0.20 0.06 0.05 0.00 0.18 0.48 52 P H G 82.69 6.55 10.97 19.06 97.13 -124.90 -62.91 -25.42 41.05 0.55 58.41 14.89 5.30 20.19 9.72 49.36 0.00 0.30 0.23 53 N H G 115.61 3.14 11.98 16.32 98.35 58.97 -81.76 2.18 37.59 0.50 61.91 7.58 5.27 23.62 12.02 51.03 0.00 0.28 0.20 54 E H G 118.67 3.87 12.31 17.62 102.82 82.59 -85.01 22.33 34.59 1.11 64.30 12.11 7.55 15.61 11.66 52.00 0.01 0.65 0.41 55 Y C C 113.28 7.60 10.82 19.66 107.68 65.37 -98.88 51.54 58.93 6.03 35.05 29.83 15.62 14.92 11.84 21.47 0.11 2.92 3.30 56 F C C 88.77 8.70 8.77 18.86 117.98 76.91 -105.36 132.69 87.25 8.57 4.18 64.01 19.69 2.48 2.79 1.51 0.00 3.36 6.15 57 T C C 71.67 3.54 11.33 16.39 119.60 -156.01 -98.62 160.79 93.02 3.37 3.62 79.52 10.76 2.45 2.59 1.14 0.00 1.72 1.80 58 Q C T 138.68 1.86 10.29 13.32 95.44 -104.31 -62.22 -32.64 55.49 0.81 43.71 8.99 13.29 32.54 23.35 20.69 0.09 0.38 0.66 59 D C T 116.90 1.16 10.73 12.04 95.92 53.71 -76.68 -14.19 55.81 0.58 43.61 8.64 10.27 35.71 22.93 21.64 0.06 0.28 0.48 60 R C H 126.21 5.75 8.77 15.97 99.92 59.26 -85.24 0.24 49.27 2.11 48.62 18.28 10.48 20.81 24.43 23.71 0.10 1.01 1.18 61 Q C C 113.21 4.52 9.96 16.12 98.91 89.34 -79.30 -12.22 63.63 2.47 33.91 34.31 12.72 16.93 22.56 11.02 0.03 1.27 1.17 62 Q C C 134.49 1.85 12.37 14.86 105.16 67.79 -88.83 35.69 74.47 4.46 21.07 40.25 16.35 18.34 12.77 7.93 0.02 2.82 1.52 63 V C C 83.16 5.93 9.42 17.10 116.08 97.95 -96.89 131.31 91.07 4.51 4.42 56.67 33.04 1.59 3.71 0.89 0.00 2.90 1.18 64 P C C 78.43 5.43 11.58 18.73 112.28 -112.76 -67.85 145.84 82.07 11.38 6.55 78.04 2.47 1.63 5.39 1.34 0.00 7.21 3.92 65 L C C 112.20 4.19 11.21 17.02 110.32 -138.21 -87.70 125.30 67.77 15.73 16.50 47.34 14.58 5.66 13.24 4.12 0.09 9.17 5.79 66 V C C 85.67 6.36 8.97 16.81 113.71 -132.42 -95.45 124.40 55.30 18.09 26.60 39.65 9.75 6.19 21.17 5.91 0.14 12.58 4.61 67 N C C 109.28 2.98 11.70 16.06 109.39 -166.48 -91.48 12.66 57.11 6.39 36.49 33.23 12.95 11.79 28.86 7.17 0.08 4.41 1.51 68 D C H 92.01 3.13 12.96 16.91 108.15 0.81 -91.24 101.78 54.58 2.44 42.98 30.58 10.57 14.31 35.21 7.05 0.04 1.41 0.84 69 R H H 129.57 6.46 11.06 18.85 94.93 -144.64 -67.59 -32.65 29.90 0.86 69.23 12.09 6.40 12.64 60.40 7.57 0.08 0.48 0.35 70 F H H 126.24 2.59 13.69 16.86 94.02 55.12 -69.23 -36.41 27.02 0.77 72.21 10.07 5.76 12.46 64.76 6.13 0.08 0.42 0.33 71 S H H 54.72 2.96 15.00 18.53 94.20 53.11 -68.24 -36.25 29.54 0.58 69.88 18.40 4.78 7.11 65.70 3.50 0.01 0.27 0.23 72 A H H 37.36 7.22 11.83 21.11 92.87 59.72 -63.44 -41.39 6.43 0.08 93.49 3.43 1.06 2.16 92.05 1.23 0.00 0.04 0.02 73 K H H 115.70 3.31 15.37 19.51 92.37 51.23 -65.07 -40.67 2.25 0.03 97.72 0.86 0.31 1.04 96.94 0.82 0.00 0.01 0.00 74 Q H H 104.05 1.62 16.34 17.10 92.10 50.22 -65.33 -40.47 1.66 0.03 98.31 0.63 0.20 0.81 97.58 0.75 0.00 0.01 0.00 75 E H H 93.02 3.27 14.87 19.05 92.18 50.68 -64.98 -41.00 1.18 0.02 98.80 0.44 0.13 0.56 98.39 0.45 0.00 0.01 0.00 76 L H H 73.64 4.60 13.14 19.38 91.81 50.29 -64.43 -40.99 0.89 0.01 99.09 0.31 0.09 0.43 98.84 0.32 0.00 0.01 0.00 77 E H H 106.98 1.92 14.22 16.30 91.73 50.82 -64.04 -40.76 1.11 0.01 98.88 0.29 0.10 0.61 98.65 0.34 0.00 0.00 0.00 78 D H H 88.73 1.51 13.59 14.86 91.93 50.42 -65.10 -39.81 2.36 0.02 97.63 0.45 0.20 1.52 97.17 0.65 0.00 0.01 0.00 79 L H H 96.16 2.69 11.35 15.20 92.64 50.30 -66.71 -37.74 4.66 0.02 95.32 0.71 0.40 3.24 94.70 0.93 0.00 0.01 0.01 80 T H H 87.82 2.63 10.01 13.98 94.47 50.39 -73.21 -26.12 14.80 0.08 85.12 2.35 1.56 10.50 84.28 1.21 0.02 0.03 0.04 81 K H H 153.16 1.32 9.63 11.73 97.43 59.76 -75.42 -11.27 49.61 0.20 50.19 4.57 4.49 38.96 49.75 1.99 0.03 0.07 0.14 82 G C T 61.02 1.23 10.40 12.17 100.30 7.47 48.69 6.18 78.30 0.12 21.58 21.43 2.07 53.13 21.60 1.63 0.00 0.05 0.08 83 L C C 109.73 3.80 9.23 14.77 103.65 109.22 -81.45 18.55 99.93 0.02 0.04 99.80 0.08 0.08 0.02 0.00 0.00 0.01 0.00