# 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 84.05 9.53 9.98 20.43 118.19 -153.08 -93.09 142.41 99.77 0.19 0.04 99.63 0.18 0.05 0.02 0.00 0.00 0.08 0.04 1 S C C 57.80 3.09 11.87 16.31 116.17 -111.10 -73.40 153.23 92.22 1.16 6.62 90.11 0.90 1.17 6.40 0.33 0.00 0.37 0.71 2 P H H 101.16 2.38 9.85 13.76 93.01 -111.64 -60.04 -36.15 13.35 0.17 86.47 4.25 2.53 7.42 80.94 4.65 0.04 0.08 0.09 3 L H H 119.47 1.45 11.17 13.09 92.49 52.81 -66.56 -37.70 7.70 0.09 92.22 1.51 1.03 5.03 84.48 7.83 0.03 0.05 0.03 4 Q H H 102.52 3.13 11.42 15.90 92.91 49.97 -68.23 -37.05 5.67 0.10 94.23 1.22 0.75 3.52 84.49 9.92 0.02 0.07 0.03 5 R H H 132.79 3.49 12.20 17.03 93.20 50.14 -66.87 -37.47 10.43 0.16 89.41 1.59 1.20 7.47 81.41 8.12 0.06 0.10 0.06 6 L H H 94.36 2.66 13.93 17.21 93.55 49.34 -70.27 -34.92 16.94 0.24 82.81 2.24 2.23 12.89 78.44 3.81 0.13 0.12 0.13 7 A H H 53.66 3.73 13.50 18.60 92.93 60.14 -63.53 -42.13 14.63 0.40 84.97 5.08 2.41 7.30 70.17 14.62 0.04 0.25 0.12 8 P H H 66.99 4.84 13.71 20.07 92.57 51.13 -65.81 -38.33 13.79 0.52 85.69 4.85 1.76 6.87 68.05 17.94 0.03 0.40 0.12 9 F H H 127.22 2.97 14.94 18.68 92.68 51.76 -66.39 -38.67 10.38 0.80 88.82 4.18 1.75 4.76 70.82 17.67 0.04 0.62 0.16 10 T H H 84.20 2.70 15.15 18.32 93.42 51.06 -67.96 -37.33 17.50 2.85 79.66 9.12 3.40 6.77 68.24 9.58 0.10 2.17 0.62 11 R H H 136.20 3.55 15.17 19.58 94.19 51.78 -70.52 -35.80 27.12 3.85 69.03 14.96 4.69 9.64 60.59 6.35 0.12 2.70 0.96 12 V H H 77.35 4.91 14.49 20.58 93.98 51.71 -67.31 -40.52 23.33 2.27 74.40 12.94 4.52 8.40 66.98 4.93 0.09 1.50 0.64 13 G H H 38.30 4.08 15.37 20.54 93.43 51.42 -63.92 -40.40 22.59 1.08 76.32 9.60 3.97 10.79 68.24 6.26 0.09 0.69 0.36 14 G H H 36.90 4.56 14.75 20.67 93.39 51.74 -65.39 -39.26 20.99 0.92 78.09 8.25 3.65 10.43 67.64 9.02 0.10 0.62 0.30 15 R H H 133.92 3.88 15.13 20.09 93.25 53.01 -67.25 -38.67 16.63 1.56 81.81 7.64 3.17 7.35 68.45 11.72 0.10 1.22 0.37 16 F H H 116.92 4.72 14.21 20.20 93.23 52.57 -67.45 -37.80 16.56 2.79 80.65 7.85 3.08 7.27 67.43 11.33 0.13 2.35 0.55 17 L H H 101.94 4.06 14.21 19.45 94.65 51.51 -70.54 -32.18 22.13 3.82 74.05 10.30 4.29 9.81 61.86 9.63 0.24 2.97 0.91 18 R H H 153.16 3.22 14.02 18.27 96.36 55.26 -73.16 -25.07 35.00 3.05 61.95 13.78 7.12 16.87 52.32 6.61 0.28 1.93 1.09 19 G C H 43.70 5.39 13.10 19.68 100.30 52.76 -67.70 -23.33 53.86 1.95 44.19 21.51 10.94 23.60 36.47 5.54 0.10 0.95 0.90 20 R C H 154.61 3.71 13.67 18.73 101.32 62.82 -78.27 -10.82 57.40 1.94 40.66 21.98 13.55 23.77 30.98 7.69 0.11 0.89 1.02 21 G C H 46.84 4.95 13.14 19.26 104.18 35.58 -0.91 -19.62 59.11 1.91 38.97 26.52 12.55 21.67 27.23 10.02 0.07 0.89 1.04 22 A C H 73.81 4.80 12.42 18.65 100.33 61.75 -78.71 -11.41 50.33 2.80 46.87 24.53 10.77 16.30 30.70 14.86 0.10 1.46 1.28 23 G C H 52.14 3.42 13.04 17.78 104.97 53.12 -60.17 -13.00 51.46 4.58 43.96 25.52 11.18 16.26 28.24 14.29 0.15 2.56 1.80 24 V C C 103.33 4.02 11.82 17.28 108.11 57.75 -89.94 69.92 53.51 6.73 39.75 27.90 12.62 14.95 26.32 11.62 0.21 3.74 2.63 25 A C C 78.78 4.08 11.05 16.78 108.60 52.91 -85.31 112.65 66.45 5.47 28.08 30.97 14.68 22.13 18.65 8.20 0.13 2.82 2.41 26 G C C 56.15 2.80 12.06 16.38 108.05 9.89 82.16 8.26 84.24 3.44 12.33 36.22 20.17 28.87 5.81 5.67 0.02 1.74 1.50 27 G C C 56.66 2.77 12.06 16.30 111.83 -39.97 94.46 123.54 88.79 4.33 6.88 41.28 24.91 23.18 1.95 4.69 0.01 2.39 1.59 28 G C C 54.00 3.16 11.77 16.66 117.63 -68.70 122.96 169.22 88.02 7.56 4.43 49.25 23.58 15.50 1.07 3.50 0.00 5.17 1.93 29 G C C 48.26 4.39 11.16 17.31 121.64 -125.48 -105.21 171.78 77.31 19.78 2.91 51.75 18.91 6.71 0.93 2.19 0.01 16.00 3.51 30 V C C 104.11 4.13 10.81 16.90 118.92 -104.67 -103.21 134.90 56.99 41.10 1.91 44.71 8.30 2.07 1.03 1.17 0.01 33.56 9.14 31 R C C 140.37 5.03 9.77 16.79 117.71 -149.37 -102.28 133.48 52.80 45.08 2.12 42.80 6.10 1.88 1.25 1.18 0.01 37.92 8.85 32 H C C 137.28 3.38 9.77 14.91 112.06 -140.50 -89.28 128.10 62.92 33.07 4.02 47.55 9.39 4.99 1.62 2.68 0.01 27.73 6.02 33 A C T 87.23 2.42 8.63 12.58 108.18 -118.73 -84.30 98.63 78.38 10.71 10.91 24.01 17.88 37.66 1.55 9.07 0.02 7.40 2.41 34 G C T 61.68 1.28 9.57 11.57 107.49 7.37 67.39 10.05 85.33 3.26 11.41 14.81 21.41 48.70 1.12 10.80 0.00 1.99 1.15 35 G C S 57.19 2.04 9.36 12.80 110.15 -0.14 111.52 37.88 87.12 4.40 8.48 25.58 34.81 26.73 0.84 8.00 0.00 2.47 1.56 36 G C C 49.85 2.65 9.67 13.92 122.29 -124.37 -133.22 172.74 84.76 12.25 2.99 43.89 30.69 10.77 0.61 2.68 0.01 8.13 3.22 37 V C C 111.89 2.71 9.22 13.57 114.48 -80.07 -93.23 132.22 74.75 21.43 3.82 46.82 18.88 9.19 1.10 3.07 0.02 14.86 6.06 38 H C C 136.71 3.26 8.62 13.70 110.72 -147.16 -92.88 120.35 76.01 20.56 3.43 48.92 18.28 8.68 1.07 2.66 0.01 14.76 5.60 39 I C C 111.15 3.84 8.74 14.47 116.70 -155.96 -102.55 132.39 82.44 15.35 2.20 54.25 23.34 4.83 0.78 1.59 0.00 10.51 4.70 40 E C C 139.05 2.11 10.83 14.35 116.36 -132.61 -94.37 135.57 90.71 8.54 0.75 65.79 23.42 1.78 0.26 0.51 0.00 6.09 2.14 41 P C C 89.43 4.91 8.70 15.48 112.62 -106.65 -69.64 142.75 87.75 6.74 5.51 61.35 14.31 11.88 1.32 4.49 0.00 4.70 1.95 42 R C C 147.71 3.43 9.42 14.72 115.57 -163.84 -103.42 131.02 79.98 13.57 6.45 58.16 10.74 10.09 2.06 4.64 0.01 7.47 6.84 43 Y C C 159.08 3.56 8.40 13.69 103.93 -152.34 -80.90 -2.18 77.74 10.45 11.81 34.68 19.89 24.27 2.50 8.82 0.05 5.35 4.43 44 R C S 162.25 2.69 9.24 13.31 109.45 43.73 -94.75 69.21 86.06 4.84 9.10 29.00 29.90 27.83 1.59 7.15 0.01 2.44 2.08 45 Q C C 137.04 1.62 11.02 13.59 115.17 47.63 -99.45 130.66 89.69 4.64 5.67 48.18 31.64 9.64 1.22 4.47 0.00 1.95 2.89 46 F C C 131.34 5.53 7.95 15.35 116.11 -123.49 -85.96 138.62 97.37 2.09 0.54 78.39 18.10 0.91 0.21 0.29 0.00 0.88 1.21 47 P C C 82.59 4.34 9.97 16.23 114.88 -108.11 -69.04 149.94 98.46 0.97 0.57 93.77 3.88 0.94 0.19 0.28 0.00 0.47 0.46 48 Q C C 147.66 1.34 12.42 14.59 113.43 -110.04 -79.92 134.52 97.64 1.93 0.43 94.42 2.71 0.48 0.22 0.15 0.00 0.64 1.38 49 L C C 73.72 11.38 6.65 18.03 115.43 -118.84 -80.64 140.44 98.64 1.14 0.22 96.76 1.84 0.13 0.14 0.05 0.00 0.37 0.71 50 T C C 78.54 1.93 13.66 15.67 119.75 -119.49 -78.17 161.03 98.36 1.28 0.36 97.69 0.74 0.14 0.22 0.05 0.00 0.30 0.88 51 R H H 175.53 1.77 10.84 13.99 91.71 -107.86 -58.51 -37.65 2.38 0.01 97.61 0.51 0.40 1.30 97.28 0.51 0.00 0.00 0.00 52 S H H 77.72 1.23 13.32 13.98 92.34 53.75 -65.00 -39.29 1.30 0.00 98.70 0.19 0.12 0.85 98.17 0.66 0.00 0.00 0.00 53 Q H H 73.97 6.09 12.83 20.62 92.34 49.33 -66.39 -39.70 0.31 0.00 99.68 0.06 0.03 0.19 99.30 0.43 0.00 0.00 0.00 54 L H H 61.86 9.04 12.89 23.28 91.67 52.07 -63.59 -42.38 0.10 0.00 99.90 0.01 0.01 0.05 99.86 0.06 0.00 0.00 0.00 55 I H H 94.67 2.29 17.37 19.29 91.78 49.50 -64.06 -42.23 0.12 0.00 99.88 0.01 0.01 0.08 99.86 0.04 0.00 0.00 0.00 56 Q H H 96.04 2.39 18.19 20.10 91.59 49.59 -64.46 -41.47 0.11 0.00 99.89 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 57 A H H 29.62 8.65 14.52 25.10 91.78 50.75 -64.06 -41.90 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 58 E H H 89.41 6.20 17.19 24.34 91.75 50.59 -64.43 -41.13 0.08 0.00 99.92 0.00 0.00 0.05 99.92 0.01 0.00 0.00 0.00 59 F H H 120.61 2.03 18.96 19.96 91.97 49.64 -64.49 -42.37 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 60 F H H 107.57 3.23 18.56 21.82 91.96 48.96 -64.77 -41.93 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 61 S H H 38.37 7.91 15.61 25.01 91.86 50.47 -64.52 -41.27 0.16 0.00 99.84 0.01 0.01 0.12 99.85 0.02 0.00 0.00 0.00 62 A H H 53.23 3.53 17.27 21.29 91.69 50.95 -64.19 -41.55 0.13 0.00 99.87 0.01 0.01 0.09 99.88 0.01 0.00 0.00 0.00 63 T H H 75.09 2.17 18.24 19.65 91.84 49.90 -64.66 -41.77 0.10 0.00 99.90 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 64 M H H 83.08 4.75 16.36 22.14 91.94 50.15 -64.78 -41.29 0.08 0.00 99.92 0.00 0.00 0.06 99.93 0.01 0.00 0.00 0.00 65 W H H 121.88 5.25 16.15 22.41 91.86 50.14 -64.40 -41.26 0.06 0.00 99.94 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 66 F H H 113.46 2.41 17.35 19.45 91.77 50.35 -64.39 -41.65 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 67 W H H 127.89 3.27 17.15 20.79 91.90 49.93 -64.35 -42.01 0.05 0.00 99.95 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 68 I H H 65.04 7.17 15.30 23.95 91.85 49.92 -64.16 -42.40 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 69 L H H 80.61 4.03 16.71 21.54 91.68 50.39 -63.97 -41.47 0.17 0.00 99.83 0.00 0.00 0.14 99.81 0.04 0.00 0.00 0.00 70 W H H 132.73 2.39 17.33 19.42 91.57 50.05 -64.39 -41.52 0.29 0.00 99.71 0.01 0.01 0.24 99.64 0.10 0.00 0.00 0.00 71 R H H 85.20 6.60 14.65 22.83 92.16 50.60 -65.43 -39.36 0.40 0.00 99.60 0.01 0.02 0.35 99.30 0.31 0.00 0.00 0.00 72 F H H 84.63 7.98 12.91 22.37 92.23 50.98 -66.42 -37.99 0.70 0.00 99.30 0.02 0.03 0.63 98.65 0.67 0.00 0.00 0.00 73 W H H 165.72 2.40 15.28 17.81 94.62 46.26 -75.05 -36.03 2.71 0.00 97.29 0.06 0.10 2.59 96.68 0.56 0.00 0.00 0.00 74 H H H 128.46 2.21 14.55 16.79 99.12 36.02 -91.53 -29.36 11.84 0.03 88.12 0.35 1.04 10.54 87.50 0.52 0.03 0.01 0.02 75 D C C 62.01 7.05 11.66 20.34 111.21 24.85 -131.25 76.29 91.36 0.56 8.08 65.54 14.74 9.58 8.66 0.80 0.00 0.18 0.50 76 S H H 57.47 6.62 11.62 20.15 93.37 165.12 -62.97 -33.61 17.35 0.19 82.47 2.70 1.89 12.14 68.31 14.69 0.08 0.09 0.10 77 D H H 88.72 3.98 14.69 19.87 91.91 59.42 -66.65 -31.86 9.96 0.05 89.98 0.64 0.72 7.99 77.00 13.57 0.04 0.03 0.02 78 A H H 46.83 7.55 12.67 21.75 93.05 54.79 -67.87 -34.64 5.91 0.05 94.04 0.52 0.50 4.53 80.94 13.44 0.03 0.03 0.02 79 V H H 76.98 7.02 13.41 21.55 95.30 47.21 -73.36 -36.95 11.04 0.14 88.83 0.83 1.24 9.03 80.81 7.83 0.13 0.07 0.07 80 L H H 97.98 4.23 14.15 19.22 99.08 39.59 -96.72 -10.35 39.00 0.95 60.05 3.69 7.84 28.66 54.32 4.00 0.46 0.36 0.67 81 G C T 39.08 4.80 13.58 19.99 111.18 -123.01 82.24 16.57 97.64 0.86 1.50 29.19 22.87 45.84 0.51 0.79 0.00 0.44 0.35 82 H C C 123.65 4.69 12.89 19.01 111.66 19.20 -93.07 120.73 95.68 3.29 1.03 64.12 25.11 6.34 0.26 0.81 0.00 1.43 1.93 83 F C C 91.76 9.15 9.80 20.24 116.46 -156.97 -106.14 125.88 96.74 2.98 0.28 81.98 13.57 1.00 0.09 0.19 0.00 1.24 1.93 84 P C S 93.78 3.57 14.73 19.28 106.77 -126.05 -71.25 140.88 99.11 0.74 0.14 33.83 62.93 2.48 0.03 0.11 0.00 0.34 0.29 85 Y C S 138.29 6.52 12.57 20.50 115.50 -29.20 -97.51 125.26 98.98 0.94 0.08 24.89 72.75 1.48 0.01 0.06 0.00 0.40 0.41 86 P C C 52.19 11.88 10.21 22.85 116.05 -122.91 -69.92 149.92 99.08 0.86 0.06 92.90 5.90 0.26 0.02 0.03 0.00 0.31 0.58 87 D C C 83.24 3.36 17.11 20.98 108.15 -119.88 -86.07 114.42 99.44 0.51 0.05 98.42 0.98 0.06 0.01 0.01 0.00 0.13 0.37 88 P H G 55.87 14.34 9.59 24.19 92.36 -158.45 -62.75 -24.05 11.09 0.08 88.83 1.02 0.93 7.53 1.07 89.39 0.00 0.06 0.01 89 S H G 82.98 2.71 14.42 18.33 90.73 65.87 -71.90 -15.69 10.01 0.05 89.94 0.37 0.60 8.04 1.09 89.87 0.00 0.03 0.00 90 Q H G 127.54 1.98 15.86 17.78 95.41 53.22 -92.78 -9.62 9.71 0.11 90.18 1.00 1.21 6.32 1.49 89.89 0.00 0.07 0.01 91 W C C 67.17 13.16 8.88 22.62 118.91 85.51 -98.50 140.38 91.73 2.06 6.21 65.43 23.61 2.55 2.82 2.93 0.00 0.64 2.01 92 T C C 53.52 4.88 17.28 23.24 126.07 -150.48 -103.23 165.71 82.81 12.03 5.16 66.51 11.22 1.81 4.19 1.04 0.01 2.38 12.84 93 D H H 61.57 11.78 11.42 23.95 92.42 -107.35 -61.44 -35.83 37.63 6.12 56.25 7.84 13.39 18.93 40.17 9.61 2.60 1.49 5.96 94 E H H 138.38 1.59 15.28 16.96 92.43 53.96 -65.07 -39.20 37.31 0.28 62.41 1.26 2.99 32.63 40.77 21.68 0.32 0.14 0.21 95 E H H 110.57 4.63 14.16 19.99 93.55 47.97 -70.21 -35.23 36.54 0.42 63.04 1.28 2.90 31.73 39.50 23.62 0.41 0.22 0.34 96 L H H 63.49 10.46 11.85 23.34 95.84 36.87 -95.49 -5.84 40.82 0.64 58.54 2.07 4.76 33.69 36.94 21.12 0.48 0.29 0.66 97 G C T 52.23 2.35 16.98 19.41 94.98 -114.51 78.53 14.32 98.93 0.35 0.72 20.32 10.80 67.93 0.19 0.41 0.00 0.19 0.16 98 I C C 53.48 10.73 9.86 22.15 119.91 126.47 -104.91 136.03 92.26 7.38 0.36 65.81 25.14 0.92 0.15 0.19 0.00 2.14 5.64 99 L C C 83.38 4.46 14.93 20.69 114.43 -110.44 -70.03 147.25 98.25 1.51 0.25 92.66 5.09 0.54 0.07 0.15 0.00 0.73 0.76 100 P C C 75.34 8.03 11.15 20.51 101.79 -107.99 -64.30 6.93 80.01 1.93 18.06 51.15 9.68 17.46 2.34 17.37 0.00 1.02 0.98 101 D C T 105.63 3.19 11.34 15.88 101.65 57.25 -81.02 -4.41 77.53 1.68 20.79 26.29 18.92 31.99 2.04 19.10 0.00 0.84 0.80 102 D C C 100.47 3.68 9.34 14.60 100.88 76.59 -86.56 8.12 73.67 2.24 24.09 38.47 12.81 21.64 2.65 22.31 0.00 1.17 0.96 103 E C C 123.48 4.21 7.93 13.91 107.70 98.40 -86.85 85.77 87.97 1.45 10.59 75.80 3.41 9.78 2.78 6.70 0.00 0.79 0.75 104 D C C 115.20 2.04 11.17 14.54 108.64 -132.65 -83.93 104.60 99.84 0.07 0.09 99.41 0.23 0.25 0.04 0.02 0.00 0.04 0.02