# 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 119.41 5.00 10.02 16.80 117.84 -169.24 -104.29 133.33 99.47 0.50 0.03 99.45 0.14 0.05 0.01 0.00 0.00 0.30 0.05 1 L C C 124.25 2.32 8.08 12.17 115.42 -147.86 -96.73 129.41 73.55 25.03 1.43 70.77 1.30 1.19 0.76 0.53 0.00 19.30 6.14 2 R C C 185.01 1.27 7.14 9.96 113.98 -151.36 -96.80 127.55 75.52 22.96 1.52 59.79 11.48 3.54 0.56 1.08 0.00 18.67 4.87 3 R C C 169.62 2.02 6.67 10.59 117.13 -146.17 -97.17 138.80 86.34 12.94 0.72 62.91 22.35 1.54 0.27 0.50 0.00 9.11 3.32 4 K C C 166.46 0.96 9.57 11.28 114.97 -113.53 -82.44 136.79 97.69 2.09 0.22 86.39 10.53 0.88 0.06 0.16 0.00 1.54 0.44 5 P C C 93.17 4.67 6.92 13.59 114.40 -104.50 -68.14 146.96 94.78 1.85 3.37 76.97 9.73 7.63 0.46 3.41 0.00 1.33 0.48 6 T C C 112.32 1.36 9.87 11.93 101.38 -149.69 -87.86 -17.25 85.53 9.40 5.08 42.62 34.68 8.47 0.64 4.61 0.00 7.77 1.20 7 R C E 172.67 1.53 10.09 12.86 124.84 12.21 -131.61 142.98 50.95 42.44 6.61 37.10 10.85 4.32 1.34 5.42 0.01 38.56 2.40 8 L E E 106.85 4.68 8.29 15.22 122.10 -166.06 -121.56 137.04 44.45 54.64 0.91 40.97 2.66 0.51 0.41 0.47 0.00 53.45 1.53 9 E E E 145.64 1.62 12.48 15.02 115.33 -138.94 -93.56 130.31 38.97 60.43 0.60 37.28 1.24 0.30 0.37 0.25 0.00 58.33 2.23 10 L C C 76.17 9.92 7.09 17.70 119.90 -154.56 -99.77 138.52 60.13 39.33 0.54 58.46 1.39 0.24 0.33 0.20 0.00 37.37 2.02 11 K C C 122.55 1.98 13.86 16.12 121.47 -146.07 -95.14 156.51 76.74 22.53 0.74 75.98 1.26 0.27 0.47 0.23 0.00 19.11 2.68 12 L H G 118.18 3.46 10.01 15.38 91.94 -110.07 -58.35 -36.42 19.98 1.03 78.98 4.23 2.65 12.21 26.45 53.36 0.02 0.90 0.17 13 D H G 119.22 0.81 13.59 13.42 91.91 60.42 -69.77 -21.86 19.54 0.71 79.74 3.12 2.17 12.88 27.73 53.35 0.03 0.58 0.15 14 D H G 60.04 6.75 10.27 18.98 96.77 56.62 -89.97 -5.49 16.02 0.68 83.30 5.92 2.29 7.37 30.33 53.47 0.02 0.46 0.16 15 I H H 70.48 7.75 10.76 20.24 92.86 88.02 -62.41 -41.04 2.62 0.04 97.33 1.82 0.35 0.70 96.22 0.88 0.00 0.02 0.01 16 E H H 127.95 1.22 15.87 15.95 92.14 51.90 -64.55 -40.86 0.61 0.01 99.38 0.23 0.06 0.28 99.07 0.35 0.00 0.00 0.00 17 E H H 105.05 2.18 15.61 17.71 92.06 50.06 -64.81 -40.99 0.41 0.00 99.58 0.13 0.04 0.21 99.31 0.30 0.00 0.00 0.00 18 F H H 75.51 7.13 13.26 22.03 92.27 49.63 -65.16 -41.38 0.27 0.00 99.73 0.07 0.03 0.14 99.62 0.14 0.00 0.00 0.00 19 E H H 92.08 3.41 15.78 19.95 91.61 51.13 -63.75 -40.61 0.29 0.00 99.71 0.05 0.02 0.16 99.71 0.06 0.00 0.00 0.00 20 N H H 88.77 1.66 16.66 17.37 91.90 50.55 -64.63 -40.72 0.51 0.00 99.49 0.07 0.03 0.31 99.53 0.05 0.00 0.00 0.00 21 I H H 78.74 3.85 15.27 20.05 92.11 49.97 -64.88 -41.70 0.35 0.00 99.65 0.06 0.02 0.20 99.68 0.04 0.00 0.00 0.00 22 R H H 113.36 4.56 14.90 20.48 91.96 50.17 -65.05 -40.77 0.31 0.00 99.69 0.06 0.02 0.17 99.71 0.04 0.00 0.00 0.00 23 K H H 120.57 1.73 16.41 17.53 91.93 50.31 -64.29 -41.02 0.31 0.00 99.69 0.05 0.02 0.18 99.71 0.04 0.00 0.00 0.00 24 D H H 82.67 1.86 16.19 17.48 91.94 50.07 -64.76 -40.92 0.41 0.00 99.59 0.05 0.03 0.25 99.62 0.05 0.00 0.00 0.00 25 L H H 76.36 3.79 14.54 19.39 92.10 50.19 -64.84 -40.92 0.38 0.00 99.62 0.05 0.02 0.22 99.65 0.05 0.00 0.00 0.00 26 E H H 100.00 2.50 15.23 18.05 91.85 50.71 -64.44 -40.68 0.50 0.00 99.50 0.08 0.03 0.28 99.55 0.06 0.00 0.00 0.00 27 T H H 75.51 1.71 15.26 16.47 91.80 50.24 -64.87 -41.30 0.75 0.00 99.25 0.13 0.05 0.43 99.31 0.09 0.00 0.00 0.00 28 R H H 133.23 1.94 14.87 16.68 92.07 50.19 -65.03 -40.36 0.86 0.00 99.13 0.16 0.07 0.49 99.17 0.11 0.00 0.00 0.00 29 K H H 111.84 2.50 14.00 17.02 92.22 50.72 -65.21 -40.02 1.23 0.01 98.76 0.25 0.10 0.70 98.77 0.18 0.00 0.00 0.00 30 K H H 120.55 1.74 14.19 15.78 92.34 50.59 -65.23 -40.04 1.91 0.01 98.08 0.44 0.19 1.09 97.98 0.29 0.00 0.01 0.00 31 Q H H 107.97 1.69 13.68 15.22 92.47 50.47 -65.49 -39.88 2.96 0.03 97.01 0.79 0.32 1.66 96.76 0.45 0.00 0.01 0.01 32 K H H 122.67 2.09 13.05 15.48 92.79 50.85 -66.53 -39.11 4.65 0.05 95.29 1.33 0.56 2.62 94.67 0.77 0.01 0.03 0.02 33 E H H 117.79 2.03 12.84 15.24 92.79 51.55 -67.26 -37.55 7.89 0.10 92.02 2.44 1.00 4.34 90.93 1.20 0.01 0.05 0.03 34 D H H 100.21 1.63 12.20 14.06 94.40 51.81 -70.00 -33.38 14.72 0.21 85.07 4.98 1.98 7.91 82.97 1.95 0.03 0.10 0.08 35 V H H 96.08 2.32 10.92 14.14 96.41 54.54 -75.67 -28.34 21.74 0.60 77.66 9.79 3.71 9.29 73.61 3.00 0.05 0.31 0.24 36 E H H 134.21 2.03 10.97 13.87 99.33 56.60 -78.66 -18.06 32.15 1.55 66.30 18.79 4.96 10.25 60.72 3.83 0.04 0.87 0.54 37 V H H 110.07 2.07 9.95 13.11 102.28 60.41 -84.20 1.67 41.80 2.45 55.75 23.65 6.45 13.69 49.85 4.07 0.05 1.36 0.88 38 V C H 112.88 2.05 9.30 12.65 106.01 66.91 -86.94 50.06 56.23 2.66 41.11 25.94 10.72 20.88 36.22 3.72 0.10 1.25 1.17 39 G C C 57.04 2.04 10.58 13.75 106.46 14.52 70.49 5.58 81.29 1.86 16.85 35.45 18.55 27.89 12.52 3.79 0.02 0.82 0.96 40 G C C 50.19 3.17 9.54 14.40 114.82 6.18 -85.47 163.75 88.14 2.04 9.82 45.96 21.77 20.88 3.81 5.49 0.00 0.93 1.15 41 S C C 87.54 2.20 9.91 13.32 105.72 -74.77 -82.32 69.48 85.83 2.60 11.57 43.49 20.35 22.42 3.35 7.80 0.00 1.24 1.37 42 D C C 118.61 1.69 9.96 12.72 103.36 62.55 -86.63 26.83 85.26 3.08 11.67 41.50 20.32 24.00 3.33 7.83 0.00 1.50 1.52 43 G C C 51.08 3.53 9.59 14.76 107.03 52.68 -47.85 12.32 84.44 3.79 11.77 41.72 23.99 19.35 3.97 7.23 0.01 1.78 1.95 44 E C C 140.80 2.33 10.19 13.91 107.98 116.56 -86.11 105.30 80.44 4.49 15.07 42.66 20.51 17.83 6.73 7.78 0.02 2.11 2.35 45 G C C 49.15 3.50 11.28 16.10 113.62 46.11 35.80 161.24 77.41 3.43 19.17 42.78 17.08 17.97 8.86 9.87 0.02 1.74 1.70 46 A C C 74.71 4.23 10.29 16.10 105.87 -50.98 -82.90 67.03 66.77 4.30 28.93 35.94 15.18 16.18 14.30 14.15 0.05 2.18 2.03 47 I C C 110.25 4.12 10.57 16.30 110.62 78.27 -92.13 117.48 61.13 6.65 32.22 30.40 14.78 17.00 16.66 14.64 0.18 3.47 2.87 48 G C C 43.23 4.66 11.86 17.80 110.77 13.38 -75.38 145.59 66.70 4.09 29.20 40.75 11.63 14.47 14.21 14.87 0.03 2.26 1.78 49 L C C 111.50 4.43 10.17 16.12 101.59 -99.24 -79.22 -7.82 63.78 3.88 32.34 33.17 13.80 17.48 14.55 17.17 0.05 1.96 1.82 50 E C C 130.28 3.12 10.22 14.88 106.43 87.31 -84.98 85.39 69.82 3.63 26.55 37.70 14.01 18.67 12.61 13.35 0.02 1.83 1.81 51 E C C 140.16 2.48 10.85 14.53 102.73 84.13 -86.65 -3.50 79.46 1.75 18.80 37.60 27.74 14.80 10.30 7.70 0.01 0.70 1.17 52 D C C 85.49 3.69 10.68 15.97 111.72 76.44 -98.97 110.92 91.11 0.77 8.12 59.07 27.55 4.20 6.87 1.50 0.00 0.26 0.54 53 P H H 87.52 4.82 9.72 16.57 95.51 -156.12 -64.98 -27.42 41.27 0.60 58.14 21.44 7.62 13.40 51.35 5.58 0.02 0.28 0.29 54 K H H 139.63 2.04 12.79 15.40 96.30 61.20 -70.37 -32.18 34.80 0.72 64.49 17.31 6.39 12.54 58.18 4.88 0.03 0.36 0.31 55 S H H 53.00 3.61 12.55 17.49 98.11 53.97 -71.23 -35.10 29.62 0.85 69.53 21.11 4.27 5.74 64.30 3.83 0.01 0.45 0.28 56 R H H 115.69 5.96 13.07 20.27 94.15 56.29 -66.10 -38.17 8.42 0.27 91.31 5.73 1.50 2.16 88.93 1.46 0.00 0.14 0.07 57 E H H 97.34 5.52 14.53 21.14 92.69 52.83 -65.27 -40.94 3.86 0.20 95.95 2.34 0.63 1.31 94.63 0.92 0.00 0.13 0.03 58 Q H H 100.20 2.62 16.26 18.99 92.32 50.48 -65.73 -40.26 3.56 0.21 96.23 2.10 0.50 1.30 95.04 0.87 0.01 0.15 0.04 59 M H H 88.52 3.64 15.87 20.24 92.19 50.36 -65.43 -41.18 3.37 0.24 96.39 1.81 0.47 1.35 95.43 0.74 0.01 0.16 0.04 60 I H H 61.94 6.81 13.82 22.28 92.12 49.79 -64.85 -42.18 2.61 0.18 97.22 1.08 0.37 1.25 96.42 0.73 0.01 0.11 0.03 61 N H H 67.73 5.63 13.21 20.49 92.16 50.56 -64.66 -40.39 2.73 0.08 97.19 0.82 0.33 1.59 96.01 1.18 0.01 0.05 0.02 62 D H H 101.70 1.79 14.84 16.67 92.78 51.11 -66.88 -36.52 4.79 0.05 95.16 0.66 0.41 3.64 93.12 2.11 0.02 0.03 0.02 63 R H H 143.78 3.09 13.06 17.15 94.25 51.28 -71.91 -30.92 10.50 0.07 89.43 0.72 0.82 8.97 87.57 1.81 0.05 0.03 0.03 64 I H H 92.46 5.67 10.93 17.98 99.10 42.80 -92.79 -3.76 36.28 0.51 63.21 2.70 5.08 28.84 60.92 1.74 0.18 0.18 0.35 65 G C T 56.43 1.74 13.74 15.74 98.27 -111.83 78.56 13.53 98.72 0.44 0.84 29.81 10.06 59.09 0.35 0.30 0.00 0.25 0.15 66 Y C C 120.42 6.33 8.50 16.55 119.45 124.94 -102.87 137.77 95.79 3.81 0.40 81.08 13.19 1.18 0.17 0.21 0.00 1.35 2.82 67 K C C 154.42 1.65 13.13 15.45 113.36 -152.87 -105.43 117.38 98.80 1.14 0.06 93.47 5.31 0.18 0.02 0.02 0.00 0.55 0.44 68 P C C 79.42 8.11 8.08 17.56 114.10 -124.89 -68.70 146.63 98.94 0.97 0.09 94.54 4.12 0.38 0.03 0.05 0.00 0.47 0.42 69 Q C C 129.25 2.20 11.01 14.70 116.93 -121.61 -88.06 140.73 98.13 1.83 0.04 92.39 5.72 0.19 0.01 0.02 0.00 0.84 0.81 70 P C C 111.88 1.91 9.98 13.51 113.01 -102.49 -67.18 145.10 96.02 3.81 0.17 89.34 6.27 0.48 0.06 0.09 0.00 1.54 2.22 71 K C C 142.28 3.18 7.40 12.78 115.72 -117.32 -86.49 138.38 98.00 1.64 0.36 91.56 5.95 0.54 0.15 0.15 0.00 0.68 0.97 72 P C C 108.36 1.77 8.68 11.93 111.80 -105.63 -68.92 147.04 92.60 1.07 6.32 73.73 8.19 10.70 1.77 4.42 0.00 0.56 0.64 73 N C C 128.84 1.61 7.91 11.01 110.65 -118.28 -85.01 127.09 86.80 1.86 11.34 48.03 20.72 18.30 3.64 7.25 0.00 0.80 1.26 74 N C C 118.32 2.14 8.18 11.88 109.55 -155.55 -93.37 104.19 76.66 2.42 20.92 40.59 22.44 14.15 9.61 10.52 0.01 0.96 1.72 75 R C C 171.12 2.00 8.10 11.52 104.91 -160.04 -83.15 21.27 58.08 1.84 40.08 23.70 13.85 21.53 20.90 18.00 0.06 0.84 1.12 76 S C C 85.59 1.84 8.64 11.75 105.37 77.62 -85.49 41.57 55.42 2.12 42.46 23.29 11.39 21.37 22.80 18.87 0.07 1.07 1.15 77 S C C 77.53 3.04 8.28 13.02 107.82 98.51 -91.12 75.13 54.09 3.19 42.71 30.21 11.39 12.91 24.55 17.76 0.06 1.66 1.46 78 Q C C 128.47 2.61 8.34 12.66 109.97 90.86 -93.29 106.14 56.48 5.92 37.59 31.67 12.23 13.56 23.52 13.19 0.12 3.21 2.50 79 F C C 150.97 2.49 7.67 11.90 112.12 142.51 -94.11 123.27 55.77 6.97 37.26 26.63 12.12 18.52 22.20 13.50 0.24 3.75 3.04 80 G C T 56.89 1.89 8.95 12.11 112.04 67.68 -84.80 25.07 62.04 3.61 34.36 24.07 13.81 25.64 16.12 16.76 0.09 1.97 1.54 81 E C C 149.28 1.52 8.43 11.15 110.20 -87.53 -91.40 118.84 62.09 5.27 32.64 29.29 15.43 19.04 12.83 18.41 0.09 3.05 1.86 82 L C C 124.96 2.52 6.30 10.67 113.02 -159.18 -93.07 127.50 64.73 10.39 24.87 41.76 12.07 12.23 8.63 15.32 0.06 6.96 2.97 83 E C C 150.13 1.40 7.60 10.53 115.97 -156.46 -101.20 130.76 81.72 7.90 10.38 72.94 2.23 7.67 4.81 4.08 0.00 5.66 2.61 84 F C C 147.69 3.49 8.88 14.35 114.09 -150.25 -94.48 130.59 99.69 0.28 0.03 99.60 0.14 0.06 0.01 0.00 0.00 0.15 0.03