# 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 91.13 8.97 12.73 22.58 113.33 -143.67 -91.00 130.67 99.86 0.11 0.03 99.80 0.09 0.03 0.01 0.00 0.00 0.04 0.02 1 G C C 36.41 5.25 12.27 18.91 114.25 -145.72 -82.51 161.80 82.78 1.40 15.82 78.19 0.87 2.81 16.40 0.54 0.00 0.49 0.70 2 F H H 136.37 3.09 11.25 15.49 96.20 -99.35 -67.65 -35.66 17.53 0.25 82.23 9.13 3.27 5.79 80.31 1.27 0.01 0.10 0.13 3 I H H 105.25 3.55 12.13 16.43 93.21 52.80 -66.75 -39.43 5.27 0.07 94.66 1.91 0.80 2.66 93.37 1.19 0.00 0.04 0.02 4 M H H 92.53 4.15 13.13 18.52 92.99 51.14 -66.30 -40.10 1.72 0.02 98.26 0.59 0.23 0.88 97.22 1.06 0.00 0.01 0.00 5 E H H 92.34 3.85 14.21 19.26 92.37 52.44 -65.17 -40.72 1.03 0.01 98.96 0.30 0.12 0.56 98.56 0.47 0.00 0.00 0.00 6 F H H 103.82 3.53 15.22 19.50 92.22 50.26 -65.20 -41.55 0.53 0.00 99.46 0.13 0.05 0.29 99.36 0.16 0.00 0.00 0.00 7 A H H 48.76 4.61 15.42 21.08 91.73 50.44 -64.37 -41.36 0.35 0.00 99.65 0.07 0.03 0.19 99.62 0.08 0.00 0.00 0.00 8 E H H 89.98 5.49 16.09 22.71 92.16 50.82 -65.07 -40.50 0.51 0.00 99.49 0.07 0.03 0.34 99.47 0.09 0.00 0.00 0.00 9 N H H 77.33 4.31 16.28 21.53 92.39 50.47 -65.61 -39.85 1.05 0.00 98.94 0.13 0.07 0.74 98.91 0.14 0.00 0.00 0.00 10 L H H 79.81 3.58 16.40 20.50 92.28 51.07 -64.75 -41.76 1.23 0.01 98.76 0.17 0.10 0.90 98.27 0.56 0.01 0.00 0.00 11 V H H 59.95 6.01 14.57 22.11 92.37 49.63 -65.50 -41.30 1.63 0.01 98.36 0.18 0.12 1.23 97.37 1.08 0.01 0.00 0.00 12 L H H 72.72 6.87 13.22 21.67 92.14 51.92 -65.49 -37.17 3.80 0.01 96.18 0.35 0.26 3.01 93.47 2.89 0.01 0.01 0.00 13 R H H 161.69 1.85 14.95 17.13 91.93 54.63 -68.53 -28.44 21.69 0.03 78.28 0.68 0.78 20.73 73.85 3.91 0.02 0.01 0.02 14 L H H 108.77 3.24 13.50 17.37 95.08 52.48 -85.15 -13.88 44.20 0.07 55.73 1.81 2.47 39.46 52.32 3.85 0.02 0.02 0.06 15 M C C 78.18 9.58 7.58 18.04 113.29 90.48 -85.50 129.94 79.76 1.09 19.15 45.35 17.29 17.28 15.63 3.21 0.01 0.34 0.89 16 E C C 147.91 1.61 12.59 14.65 99.34 -158.43 -78.89 -23.63 96.29 1.24 2.47 60.66 28.77 6.80 1.57 0.79 0.00 0.39 1.02 17 N C C 85.99 3.48 12.02 16.93 110.68 28.51 -114.75 100.11 99.47 0.22 0.31 87.45 11.52 0.51 0.22 0.07 0.00 0.07 0.16 18 P H H 74.42 6.38 10.44 18.96 93.57 -162.24 -61.95 -34.37 7.69 0.02 92.29 2.74 1.30 3.46 91.38 1.12 0.00 0.01 0.01 19 E H H 127.51 1.63 14.50 16.08 92.05 53.88 -64.28 -40.43 2.61 0.01 97.38 0.36 0.27 1.76 96.56 1.04 0.00 0.00 0.00 20 E H H 100.04 2.09 15.42 17.44 91.86 49.31 -65.40 -40.45 1.36 0.01 98.63 0.32 0.13 0.78 97.61 1.16 0.00 0.00 0.00 21 R H H 75.91 7.53 12.78 22.21 91.90 50.96 -64.19 -41.43 0.57 0.00 99.43 0.15 0.05 0.27 99.21 0.32 0.00 0.00 0.00 22 D H H 64.75 5.49 15.31 22.27 91.40 50.71 -63.89 -40.75 0.59 0.00 99.41 0.13 0.05 0.30 99.38 0.13 0.00 0.00 0.00 23 R H H 135.82 1.63 18.36 18.77 91.66 50.51 -64.64 -41.04 0.44 0.00 99.56 0.06 0.03 0.26 99.56 0.09 0.00 0.00 0.00 24 K H H 105.78 3.01 18.03 21.10 91.98 49.91 -65.23 -40.93 0.57 0.00 99.43 0.08 0.03 0.34 99.46 0.09 0.00 0.00 0.00 25 A H H 33.01 9.03 14.55 25.30 91.77 50.72 -64.13 -41.07 0.71 0.00 99.29 0.11 0.04 0.41 99.36 0.08 0.00 0.00 0.00 26 R H H 123.35 4.05 17.66 22.37 91.66 51.68 -63.72 -40.93 0.59 0.00 99.41 0.11 0.03 0.32 99.49 0.05 0.00 0.00 0.00 27 E H H 104.78 1.90 19.02 19.73 91.81 50.32 -64.45 -41.72 0.28 0.00 99.72 0.04 0.01 0.15 99.76 0.03 0.00 0.00 0.00 28 H H H 87.00 4.79 17.46 23.11 92.04 49.63 -64.97 -41.72 0.20 0.00 99.80 0.03 0.01 0.11 99.83 0.03 0.00 0.00 0.00 29 I H H 62.64 7.74 15.80 24.81 92.09 49.79 -64.42 -42.04 0.14 0.00 99.86 0.02 0.01 0.07 99.88 0.02 0.00 0.00 0.00 30 Y H H 119.88 2.74 17.85 20.51 91.65 49.60 -64.25 -41.79 0.13 0.00 99.87 0.02 0.01 0.07 99.89 0.02 0.00 0.00 0.00 31 E H H 102.40 2.18 18.37 19.87 91.84 49.75 -64.62 -41.49 0.16 0.00 99.84 0.01 0.00 0.10 99.86 0.02 0.00 0.00 0.00 32 M H H 73.38 6.18 16.20 23.56 91.88 49.94 -64.63 -41.70 0.23 0.00 99.77 0.02 0.01 0.15 99.79 0.04 0.00 0.00 0.00 33 H H H 90.72 5.80 16.49 23.23 91.90 50.30 -64.73 -40.34 0.41 0.00 99.59 0.04 0.02 0.27 99.62 0.05 0.00 0.00 0.00 34 E H H 102.27 2.03 18.58 19.68 91.66 50.69 -64.23 -41.45 0.42 0.00 99.57 0.04 0.02 0.27 99.61 0.05 0.00 0.00 0.00 35 R H H 121.71 2.73 18.01 20.55 91.88 49.86 -65.03 -40.40 0.43 0.00 99.57 0.03 0.02 0.29 99.59 0.06 0.00 0.00 0.00 36 C H H 41.36 7.43 14.12 23.30 91.99 51.40 -64.32 -41.02 0.35 0.00 99.65 0.04 0.02 0.20 99.68 0.06 0.00 0.00 0.00 37 K H H 114.57 2.55 17.63 20.12 91.76 50.75 -64.14 -40.68 0.24 0.00 99.75 0.03 0.01 0.13 99.78 0.04 0.00 0.00 0.00 38 K H H 115.31 1.86 17.32 18.41 92.08 49.86 -64.90 -40.90 0.37 0.00 99.63 0.04 0.02 0.22 99.67 0.06 0.00 0.00 0.00 39 I H H 71.77 5.21 14.63 21.19 92.07 49.45 -65.15 -41.17 0.54 0.00 99.46 0.08 0.03 0.31 99.48 0.10 0.00 0.00 0.00 40 K H H 102.52 4.91 14.31 20.40 92.19 51.71 -64.71 -40.34 0.86 0.00 99.13 0.12 0.05 0.55 98.88 0.40 0.00 0.00 0.00 41 E H H 117.19 1.80 15.00 16.60 92.13 51.21 -65.57 -38.54 3.47 0.01 96.53 0.23 0.15 2.92 95.16 1.53 0.00 0.00 0.00 42 M H H 111.96 2.77 13.27 16.86 92.97 50.70 -69.87 -32.09 9.98 0.02 90.00 0.55 0.47 8.72 87.76 2.48 0.01 0.01 0.01 43 W H H 139.42 5.67 10.71 17.72 95.15 55.40 -79.46 -17.41 33.59 0.33 66.08 4.66 3.66 25.40 61.86 3.99 0.07 0.15 0.21 44 A C T 79.43 2.45 12.48 15.97 97.29 75.07 -82.05 -3.07 66.04 0.90 33.07 13.49 7.78 43.94 29.83 4.01 0.03 0.40 0.52 45 L C S 95.43 4.56 9.26 15.87 115.73 103.69 -88.23 136.94 97.27 1.03 1.70 28.85 65.88 2.62 1.25 0.42 0.00 0.38 0.60 46 P C C 97.66 2.97 10.83 15.42 111.19 -107.62 -69.91 143.84 93.19 3.64 3.17 79.90 8.38 4.82 1.39 1.61 0.00 2.02 1.87 47 I C C 117.51 4.30 9.23 15.47 113.19 -144.99 -94.15 130.01 84.18 12.22 3.60 62.00 16.97 3.89 1.77 1.83 0.00 4.50 9.03 48 R C C 147.74 3.83 9.91 15.63 117.40 -141.74 -98.17 136.52 86.46 7.63 5.91 60.67 19.17 6.43 2.41 3.44 0.01 4.07 3.80 49 P C C 91.07 3.86 10.04 15.63 111.12 -110.15 -69.89 146.45 84.98 3.31 11.71 41.80 16.33 27.13 2.52 9.04 0.00 1.78 1.39 50 Y C T 168.45 2.92 10.22 14.63 106.62 -93.90 -87.04 80.10 82.60 3.13 14.27 23.49 19.53 40.10 3.31 10.33 0.02 1.56 1.66 51 G C T 44.99 3.60 11.32 16.40 117.25 38.96 116.85 -169.43 80.45 4.07 15.48 24.37 25.54 31.51 4.09 10.48 0.03 1.99 1.99 52 F C C 136.85 3.75 11.65 16.59 104.21 -39.72 -87.08 3.84 70.20 9.85 19.95 29.82 20.43 21.23 8.31 10.50 0.20 5.00 4.52 53 W C C 124.76 7.89 10.05 19.16 111.19 75.40 -91.71 115.66 64.76 13.76 21.48 30.50 18.09 17.11 11.61 9.05 0.29 7.65 5.70 54 T C C 70.43 5.40 12.48 19.41 107.86 73.65 -93.39 78.79 72.12 7.66 20.22 46.68 12.81 12.25 13.60 7.00 0.03 4.52 3.11 55 F H H 102.24 6.76 11.09 19.26 103.57 77.59 -74.65 -37.57 40.42 2.91 56.67 22.89 12.73 8.06 46.58 7.07 0.09 1.41 1.17 56 E H H 133.25 2.08 13.91 16.42 94.63 52.83 -66.39 -37.09 22.33 1.20 76.47 8.16 4.57 10.35 60.90 14.69 0.16 0.77 0.41 57 R H H 137.82 2.71 14.09 17.36 94.20 51.62 -68.79 -34.23 20.54 1.05 78.40 7.22 3.75 9.88 61.87 16.11 0.13 0.69 0.35 58 H H H 73.64 8.13 11.37 20.96 95.92 51.48 -75.28 -29.61 23.03 1.28 75.69 11.49 4.24 8.27 59.97 14.73 0.06 0.77 0.47 59 N H H 73.59 6.48 12.61 20.65 95.21 67.61 -67.65 -35.20 25.39 1.45 73.15 13.61 4.94 8.90 60.81 10.27 0.07 0.85 0.54 60 A H H 63.05 3.19 14.11 18.02 95.54 59.53 -69.19 -35.27 25.93 1.28 72.79 10.62 4.74 11.74 59.40 12.14 0.11 0.80 0.46 61 Q H H 101.24 4.35 13.31 18.76 97.30 57.52 -74.20 -29.71 27.72 2.14 70.14 12.11 5.24 11.86 56.64 11.89 0.16 1.38 0.71 62 L H H 83.14 7.96 10.68 19.66 98.28 56.62 -80.64 -18.71 34.00 3.72 62.28 16.38 6.83 12.76 48.72 11.53 0.20 2.28 1.29 63 R C H 157.25 2.95 12.89 17.12 100.08 62.58 -77.82 -15.47 50.48 2.99 46.53 20.63 8.62 22.47 36.48 8.73 0.13 1.71 1.22 64 W C H 161.29 3.62 11.66 16.56 103.73 62.07 -88.71 3.95 62.33 2.38 35.30 22.60 15.57 25.42 25.92 8.04 0.11 1.09 1.24 65 D C C 63.76 7.55 9.74 18.91 109.54 103.25 -92.99 111.43 87.32 0.86 11.82 66.42 16.46 4.21 9.74 2.29 0.00 0.33 0.54 66 P H H 89.45 3.31 12.09 16.96 94.05 -157.49 -63.18 -27.23 43.53 0.59 55.88 14.25 6.20 22.04 34.30 22.55 0.03 0.31 0.32 67 Q H H 111.03 2.61 13.62 17.01 93.10 59.98 -68.15 -33.26 28.60 1.11 70.29 8.21 4.28 14.36 40.70 31.28 0.10 0.68 0.38 68 I H G 57.87 10.04 10.13 21.36 93.08 58.04 -68.81 -30.92 14.12 0.72 85.16 4.84 2.16 6.36 41.89 44.08 0.02 0.53 0.13 69 S H G 64.14 5.89 11.80 19.37 92.08 64.09 -70.41 -19.38 24.19 0.79 75.02 4.75 3.07 14.20 35.07 42.11 0.06 0.48 0.26 70 Q H G 142.67 1.11 14.10 14.70 96.49 53.01 -93.80 -1.55 46.25 1.11 52.65 7.37 6.35 30.99 17.84 36.13 0.10 0.58 0.65 71 V C S 70.90 6.95 7.82 16.62 117.00 102.58 -82.02 140.82 94.46 1.85 3.70 44.98 46.75 2.85 2.53 1.01 0.00 0.60 1.28 72 A C C 91.80 1.42 11.86 14.06 110.97 -109.57 -70.29 139.89 89.56 4.39 6.04 55.34 17.50 16.87 2.28 3.45 0.00 2.25 2.31 73 G C C 49.16 3.31 11.34 16.36 124.49 46.82 122.47 -174.24 88.18 4.94 6.88 32.77 32.26 23.99 1.34 5.18 0.01 2.63 1.83 74 R C C 163.23 3.39 11.60 16.75 112.15 -54.26 -86.64 127.55 87.82 5.51 6.67 60.17 17.14 10.05 1.70 5.33 0.00 3.08 2.53 75 R C C 128.93 6.25 10.55 18.52 119.49 -157.77 -101.25 144.34 90.87 5.30 3.83 65.87 21.16 3.39 1.98 1.82 0.00 2.15 3.64 76 D C C 74.03 5.19 13.51 20.18 114.47 -109.34 -77.38 142.32 95.36 0.69 3.96 80.62 12.73 1.73 3.66 0.59 0.00 0.25 0.43 77 P H H 69.62 6.93 12.85 21.58 93.02 -125.19 -61.43 -33.19 33.99 0.28 65.73 10.57 5.01 18.69 56.70 8.70 0.04 0.14 0.15 78 Y H H 101.57 7.66 13.35 22.12 93.18 53.99 -67.29 -36.99 24.10 0.39 75.51 7.45 3.58 13.47 64.51 10.53 0.06 0.22 0.19 79 D H H 73.37 4.41 14.66 20.35 92.37 54.43 -65.49 -39.20 13.57 0.38 86.05 6.33 2.39 5.31 71.71 13.89 0.02 0.24 0.12 80 D H H 78.92 3.55 15.01 19.44 92.88 51.08 -67.71 -37.93 14.52 0.37 85.11 5.76 2.46 6.79 73.15 11.43 0.04 0.24 0.13 81 L H H 73.97 5.91 13.15 20.57 93.16 52.00 -66.92 -39.18 16.88 0.62 82.50 6.41 3.27 8.37 71.16 10.09 0.09 0.40 0.22 82 L H H 82.39 5.59 12.57 19.50 94.20 52.55 -69.25 -35.74 22.44 1.50 76.06 12.59 5.03 7.45 65.57 7.89 0.07 0.90 0.51 83 E H H 116.00 2.81 13.33 17.01 96.10 56.11 -68.94 -33.91 28.20 1.15 70.65 15.45 5.01 9.63 59.97 8.81 0.04 0.66 0.43 84 D H H 91.70 3.67 12.17 17.12 97.39 53.41 -79.25 -12.25 33.80 0.86 65.35 15.74 5.84 13.49 52.31 11.73 0.05 0.44 0.40 85 N H H 98.65 5.02 10.67 17.26 96.38 75.16 -77.95 -9.08 46.36 1.08 52.56 19.96 8.00 19.95 40.77 10.15 0.06 0.51 0.59 86 Y C C 163.63 2.59 11.33 15.14 99.27 59.92 -91.69 -1.82 65.32 1.94 32.74 31.50 13.16 22.27 23.16 7.89 0.03 0.80 1.20 87 T C C 84.31 3.78 9.40 15.24 116.68 96.46 -92.77 134.82 96.88 1.10 2.02 49.76 45.38 1.74 1.57 0.45 0.00 0.34 0.75 88 P C C 99.74 2.63 10.61 14.96 114.65 -109.00 -71.32 146.07 98.36 0.52 1.12 86.15 10.85 1.37 0.69 0.40 0.00 0.21 0.33 89 P C C 97.54 4.10 8.93 15.04 110.30 -105.16 -67.99 147.47 92.55 0.78 6.67 74.79 9.62 8.28 2.97 3.44 0.00 0.35 0.56 90 S C C 79.52 2.92 9.25 13.91 111.93 -111.56 -81.21 145.47 88.01 1.76 10.23 66.99 11.48 9.35 4.78 5.35 0.00 0.81 1.25 91 S C C 91.78 1.78 9.20 12.22 102.65 -125.64 -78.97 -2.92 78.79 2.55 18.66 50.89 15.20 12.72 8.60 9.84 0.00 1.24 1.51 92 S C C 83.20 2.44 8.57 12.53 107.23 91.27 -88.99 72.11 74.35 2.65 23.00 43.29 16.20 15.40 9.98 12.38 0.01 1.31 1.43 93 S C C 83.39 2.63 8.52 12.79 106.50 73.19 -88.44 58.83 72.40 2.74 24.85 40.65 15.78 16.67 9.90 14.17 0.01 1.38 1.43 94 S C C 80.78 2.94 8.26 12.91 110.05 102.23 -92.12 106.54 73.14 3.35 23.51 38.84 16.56 18.75 8.69 13.82 0.02 1.72 1.61 95 S C C 85.31 2.49 7.76 11.96 109.13 -162.16 -91.35 98.28 77.34 4.57 18.09 41.64 18.68 18.25 6.13 10.90 0.01 2.48 1.92 96 S C C 88.63 1.83 8.00 11.35 109.78 161.23 -90.86 107.40 86.64 3.78 9.58 69.86 5.23 12.38 3.59 4.91 0.00 2.36 1.67 97 D C C 115.93 2.17 9.68 13.39 106.69 -138.19 -86.23 74.25 99.84 0.13 0.03 99.63 0.17 0.09 0.01 0.00 0.00 0.07 0.02