# 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 113.24 5.52 9.98 17.11 116.15 -154.14 -91.61 139.54 99.97 0.02 0.00 99.90 0.07 0.02 0.00 0.00 0.00 0.01 0.00 1 E C C 152.03 1.40 11.30 13.45 112.01 -113.84 -80.20 133.32 97.84 0.73 1.44 95.69 0.67 1.99 0.49 0.50 0.00 0.33 0.33 2 T C C 91.71 5.39 7.13 14.17 114.75 -132.56 -89.81 134.93 94.65 1.93 3.42 74.44 13.08 6.98 1.14 2.26 0.00 0.93 1.17 3 N C C 104.60 3.49 10.68 15.89 111.60 -145.36 -93.08 118.01 94.54 2.07 3.39 78.31 10.25 5.91 1.19 2.11 0.00 1.03 1.20 4 K C C 142.34 3.58 10.76 16.33 109.99 -153.91 -84.04 119.36 93.83 1.85 4.31 65.65 23.27 4.90 2.00 2.06 0.00 0.69 1.42 5 N C C 71.38 6.65 9.34 17.70 109.47 -151.67 -93.51 110.54 97.76 0.49 1.74 85.08 11.71 0.84 1.57 0.25 0.00 0.14 0.42 6 K H H 144.05 1.67 12.70 15.03 93.89 -154.98 -63.93 -33.98 3.81 0.01 96.18 0.65 0.59 2.31 95.95 0.49 0.00 0.00 0.00 7 F H H 119.60 2.73 12.94 16.57 92.43 53.80 -65.51 -40.46 2.21 0.00 97.79 0.28 0.23 1.58 97.44 0.47 0.00 0.00 0.00 8 I H H 68.47 6.02 12.14 19.98 92.66 48.64 -66.11 -41.58 0.62 0.00 99.38 0.15 0.07 0.35 99.10 0.34 0.00 0.00 0.00 9 E H H 93.86 3.50 14.22 18.88 92.04 50.63 -63.90 -41.68 0.25 0.00 99.75 0.07 0.02 0.11 99.66 0.12 0.00 0.00 0.00 10 D H H 89.82 1.77 16.40 17.57 92.22 49.56 -64.75 -41.24 0.31 0.00 99.69 0.06 0.02 0.18 99.66 0.07 0.00 0.00 0.00 11 W H H 119.75 4.23 15.41 20.67 92.31 49.41 -64.91 -41.21 0.29 0.00 99.70 0.04 0.02 0.18 99.69 0.06 0.00 0.00 0.00 12 G H H 27.00 5.54 14.47 21.89 91.93 51.54 -63.71 -41.50 0.53 0.00 99.47 0.07 0.03 0.34 99.47 0.09 0.00 0.00 0.00 13 S H H 59.89 2.43 16.88 19.21 92.11 50.62 -64.58 -40.70 1.01 0.00 98.99 0.11 0.06 0.70 98.97 0.16 0.00 0.00 0.00 14 A H H 55.94 3.22 16.02 19.87 92.22 50.39 -64.84 -40.70 1.25 0.00 98.75 0.19 0.10 0.78 98.68 0.25 0.00 0.00 0.00 15 R H H 114.95 5.16 15.11 21.44 92.52 49.92 -65.84 -39.51 1.80 0.00 98.19 0.32 0.16 1.14 97.94 0.44 0.00 0.00 0.00 16 E H H 97.84 3.36 15.54 19.69 92.62 51.51 -65.20 -39.27 3.17 0.01 96.82 0.51 0.28 2.10 96.45 0.66 0.00 0.00 0.00 17 N H H 88.68 2.11 15.58 17.56 92.77 49.49 -67.14 -38.38 6.71 0.02 93.27 1.11 0.61 4.60 92.51 1.16 0.01 0.01 0.01 18 L H H 73.03 5.28 13.01 19.90 92.88 50.67 -67.19 -38.40 4.96 0.02 95.02 0.82 0.49 3.33 91.47 3.86 0.01 0.01 0.01 19 E H H 95.20 6.26 12.22 19.98 92.90 53.81 -67.03 -36.53 5.45 0.03 94.52 0.76 0.48 3.90 88.22 6.60 0.01 0.02 0.01 20 H H H 138.62 1.79 14.22 16.19 94.28 50.05 -74.47 -28.64 12.57 0.03 87.41 0.68 0.80 10.75 81.77 5.95 0.03 0.01 0.02 21 N H H 112.54 1.76 13.22 15.03 100.21 39.05 -98.43 -11.59 25.07 0.10 74.83 1.57 2.61 20.95 71.19 3.50 0.07 0.04 0.07 22 F C C 100.48 7.64 9.09 18.18 115.18 69.40 -108.94 119.19 76.16 8.41 15.43 48.27 18.44 8.97 13.06 2.43 0.08 3.11 5.65 23 R C C 151.80 2.59 14.09 17.98 117.80 -160.51 -104.02 132.10 90.47 7.84 1.69 83.50 5.02 1.99 1.21 0.50 0.00 4.36 3.41 24 W C C 125.93 9.88 9.19 20.12 110.91 -125.27 -80.25 124.38 92.34 6.91 0.75 88.04 3.98 0.65 0.48 0.24 0.00 2.88 3.73 25 T C C 64.13 2.96 13.91 17.89 128.30 172.21 -116.47 171.26 98.05 1.57 0.38 90.83 6.95 0.25 0.34 0.06 0.00 0.43 1.14 26 R H H 177.79 1.42 12.31 14.29 91.49 -94.17 -59.54 -37.04 5.92 0.00 94.07 0.22 0.64 5.09 93.29 0.73 0.01 0.00 0.00 27 R H H 159.07 1.23 13.96 14.75 92.14 52.21 -65.16 -39.50 6.17 0.01 93.82 0.20 0.35 5.63 92.82 0.99 0.01 0.00 0.00 28 N H H 46.48 8.52 11.11 21.44 92.81 49.04 -67.85 -39.27 4.00 0.01 95.99 0.36 0.27 3.18 94.97 1.20 0.01 0.00 0.00 29 F H H 100.25 5.34 13.86 20.62 91.64 52.00 -63.65 -41.47 0.56 0.00 99.44 0.10 0.04 0.30 99.30 0.26 0.00 0.00 0.00 30 A H H 62.44 1.78 16.38 17.54 91.60 50.23 -63.86 -41.54 0.62 0.00 99.38 0.07 0.03 0.41 99.27 0.22 0.00 0.00 0.00 31 L H H 82.64 3.43 15.89 20.06 92.25 49.13 -65.44 -41.63 0.96 0.00 99.03 0.08 0.05 0.75 98.88 0.25 0.00 0.00 0.00 32 I H H 65.16 7.05 13.93 22.52 92.21 49.23 -64.42 -41.92 2.03 0.01 97.95 0.14 0.14 1.71 97.61 0.37 0.01 0.00 0.01 33 G H H 36.61 3.40 15.49 19.66 92.37 49.46 -64.38 -41.86 3.94 0.01 96.05 0.19 0.25 3.53 95.32 0.66 0.03 0.00 0.01 34 I H H 106.96 1.66 16.24 17.17 93.25 45.42 -67.43 -41.23 5.56 0.03 94.40 0.20 0.39 5.22 92.92 1.07 0.16 0.01 0.03 35 F H H 123.60 2.39 15.71 18.16 95.55 40.69 -75.78 -39.10 9.28 0.04 90.68 0.21 0.59 9.01 88.32 1.54 0.29 0.01 0.04 36 G H H 34.18 4.79 14.24 20.13 96.31 41.09 -75.92 -40.74 33.91 0.06 66.03 0.31 1.45 33.34 62.87 1.74 0.21 0.02 0.07 37 I C T 92.05 3.74 15.36 19.66 97.98 38.05 -79.35 -40.06 72.61 0.08 27.31 0.42 3.00 67.69 27.66 1.05 0.06 0.02 0.09 38 A H H 58.13 2.46 15.99 18.56 92.82 48.48 -65.36 -42.18 9.65 0.04 90.31 0.79 1.48 7.32 89.59 0.74 0.03 0.01 0.04 39 L H H 86.61 2.41 16.32 18.75 92.11 49.19 -65.02 -42.20 1.58 0.00 98.42 0.25 0.15 0.97 98.25 0.38 0.00 0.00 0.00 40 P H H 57.77 5.03 14.58 21.04 92.00 49.37 -64.43 -40.68 0.73 0.00 99.26 0.15 0.05 0.43 98.94 0.43 0.00 0.00 0.00 41 I H H 88.05 3.57 15.55 19.84 92.01 50.20 -64.33 -41.20 0.16 0.00 99.84 0.02 0.01 0.10 99.68 0.19 0.00 0.00 0.00 42 I H H 101.82 1.57 16.74 17.31 91.97 49.82 -64.49 -41.76 0.16 0.00 99.84 0.02 0.01 0.10 99.77 0.10 0.00 0.00 0.00 43 V H H 84.14 2.25 16.18 18.31 91.94 48.76 -64.72 -41.98 0.22 0.00 99.78 0.02 0.01 0.16 99.74 0.08 0.00 0.00 0.00 44 Y H H 109.96 5.00 14.68 20.65 92.10 49.03 -65.19 -41.05 0.47 0.00 99.52 0.04 0.03 0.36 99.45 0.12 0.00 0.00 0.00 45 K H H 110.30 2.91 15.65 19.10 91.83 50.57 -64.63 -40.67 0.74 0.00 99.26 0.05 0.04 0.58 99.19 0.13 0.00 0.00 0.00 46 G H H 38.79 1.79 16.59 17.65 91.95 50.54 -64.19 -41.69 1.28 0.01 98.71 0.14 0.10 0.95 98.63 0.17 0.00 0.00 0.00 47 I H H 85.29 2.93 16.02 19.24 92.26 49.32 -64.86 -42.10 1.55 0.01 98.43 0.28 0.16 1.06 98.28 0.21 0.00 0.01 0.01 48 V H H 63.93 5.45 14.57 21.39 91.88 49.64 -64.46 -42.06 1.22 0.02 98.76 0.33 0.14 0.71 98.61 0.20 0.00 0.01 0.01 49 K H H 114.94 2.12 16.93 18.78 91.85 50.20 -64.34 -41.37 1.00 0.01 98.99 0.24 0.11 0.59 98.84 0.22 0.00 0.00 0.00 50 D H H 81.15 1.83 17.30 18.28 91.87 49.63 -64.56 -41.04 1.04 0.00 98.96 0.21 0.09 0.64 98.81 0.24 0.00 0.00 0.00 51 F H H 91.61 5.08 15.38 21.72 92.07 49.90 -64.70 -41.19 0.96 0.00 99.04 0.15 0.08 0.63 98.88 0.27 0.00 0.00 0.00 52 H H H 90.36 5.43 14.91 21.64 92.02 50.56 -64.33 -41.02 1.31 0.00 98.69 0.17 0.10 0.89 98.57 0.27 0.00 0.00 0.00 53 M H H 102.77 1.63 16.97 17.55 91.90 49.85 -64.26 -41.50 1.83 0.00 98.16 0.24 0.16 1.22 98.10 0.28 0.00 0.00 0.00 54 Q H H 92.89 2.13 15.77 17.76 92.21 49.48 -64.86 -41.31 2.18 0.01 97.82 0.33 0.25 1.38 97.68 0.35 0.00 0.00 0.00 55 D H H 44.43 6.61 10.91 19.76 92.25 50.33 -65.31 -41.01 2.89 0.01 97.10 0.66 0.32 1.68 96.72 0.60 0.00 0.00 0.00 56 E H H 122.27 2.14 12.61 15.52 92.26 50.34 -65.12 -40.32 2.81 0.01 97.18 0.36 0.22 1.99 96.34 1.08 0.00 0.00 0.00 57 D H H 121.43 0.68 12.71 12.23 92.49 49.69 -68.42 -32.21 8.01 0.02 91.97 0.44 0.56 6.78 91.07 1.12 0.01 0.00 0.01 58 A C T 73.62 2.23 10.19 13.51 94.29 49.01 -85.98 -7.39 55.31 0.05 44.64 0.97 2.82 50.25 44.26 1.63 0.01 0.01 0.05 59 G C T 63.06 0.73 12.34 12.44 96.21 -113.66 76.53 13.36 99.52 0.03 0.45 6.57 5.61 87.47 0.19 0.14 0.00 0.01 0.01 60 R C C 121.00 5.01 8.03 15.14 120.50 131.42 -102.30 141.35 99.54 0.30 0.16 79.73 19.48 0.34 0.06 0.07 0.00 0.09 0.23 61 P C C 92.70 2.17 12.52 15.44 114.53 -106.03 -65.76 150.76 97.68 0.31 2.01 91.02 4.42 2.35 0.45 1.44 0.00 0.13 0.20 62 H C C 128.05 5.35 9.39 16.61 111.65 -108.67 -76.25 139.31 82.34 1.12 16.54 56.90 14.41 9.51 2.42 15.59 0.00 0.54 0.62 63 R C C 142.52 4.65 8.84 15.21 114.29 -131.57 -88.87 135.56 77.73 1.42 20.86 49.35 15.14 11.33 2.34 20.53 0.00 0.75 0.57 64 K C C 159.40 1.72 9.83 12.83 106.69 -139.20 -88.25 25.14 77.10 1.91 20.99 44.50 16.49 14.70 2.11 20.48 0.00 1.06 0.66 65 F C C 145.07 3.44 7.89 12.95 109.99 63.43 -96.63 101.99 86.15 2.49 11.36 70.23 4.66 11.51 2.01 8.93 0.00 1.34 1.31 66 L C C 112.45 4.60 10.27 16.38 108.14 -137.74 -84.07 100.88 99.93 0.06 0.01 99.87 0.06 0.03 0.00 0.00 0.00 0.03 0.01