# 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 P C C 89.03 4.77 15.01 20.96 112.83 -102.37 -70.05 141.54 99.96 0.03 0.01 99.83 0.10 0.04 0.00 0.00 0.00 0.01 0.00 1 W C C 130.22 9.84 9.00 19.55 117.78 -141.70 -96.57 133.60 93.00 4.26 2.74 90.38 0.96 2.56 0.97 1.10 0.00 2.42 1.61 2 Q C C 134.33 2.08 12.69 15.98 114.13 -153.12 -98.79 123.78 86.40 9.13 4.47 71.35 9.00 5.75 1.53 2.90 0.00 6.45 3.02 3 L C C 86.17 10.55 8.22 19.24 115.10 -150.82 -92.96 130.61 83.11 10.84 6.05 64.83 11.58 6.47 2.13 3.87 0.00 8.17 2.95 4 K C C 138.54 2.94 13.18 17.59 117.59 -155.43 -100.64 139.71 86.32 8.43 5.25 63.46 17.10 5.77 2.27 2.92 0.00 5.47 3.00 5 E C C 125.09 5.66 12.19 19.64 114.84 -109.10 -84.35 133.35 95.01 2.66 2.34 67.26 26.10 1.84 1.52 0.78 0.00 1.58 0.91 6 P C C 54.92 11.78 10.39 22.86 114.83 -109.38 -69.33 149.72 95.79 0.89 3.33 88.34 5.49 2.14 2.47 0.73 0.00 0.48 0.35 7 D C C 87.78 3.94 16.82 21.53 107.03 -112.67 -81.75 112.67 94.82 0.85 4.33 91.26 2.29 1.65 3.33 0.64 0.00 0.32 0.51 8 N H H 62.25 14.39 11.36 25.71 94.84 -165.35 -68.11 -24.65 35.53 0.50 63.97 18.08 5.10 13.41 50.83 12.01 0.02 0.25 0.28 9 S H H 67.36 4.90 15.23 21.36 92.56 65.97 -65.12 -33.63 24.16 0.26 75.58 5.38 3.28 14.98 62.05 13.98 0.06 0.14 0.13 10 R H H 137.80 2.65 17.79 20.40 93.59 53.04 -68.80 -36.04 17.56 0.37 82.07 4.82 2.96 9.72 67.52 14.52 0.09 0.23 0.14 11 V H H 31.20 14.17 13.91 28.50 94.51 51.26 -69.96 -39.74 15.47 0.69 83.84 7.08 3.27 6.53 73.75 8.58 0.09 0.46 0.23 12 V H H 43.67 13.63 14.78 28.66 93.43 53.79 -64.88 -39.71 13.02 0.91 86.07 6.58 2.36 5.20 75.30 9.59 0.05 0.69 0.22 13 K H H 127.00 3.48 19.26 23.02 93.62 53.05 -67.25 -33.39 17.08 0.75 82.17 5.97 2.68 8.87 70.80 10.85 0.08 0.52 0.23 14 N H H 82.57 6.78 18.16 25.55 93.78 51.10 -76.66 -20.15 25.87 0.72 73.42 7.37 4.10 15.01 62.68 10.01 0.12 0.41 0.30 15 L H H 37.91 17.85 12.94 30.07 97.94 66.69 -81.73 -7.73 44.27 1.70 54.03 18.84 9.32 18.47 46.18 5.47 0.11 0.77 0.84 16 V C C 75.16 9.46 15.98 25.93 102.79 70.47 -91.71 -8.84 70.29 2.55 27.16 35.53 16.79 17.91 24.05 3.33 0.03 1.02 1.35 17 K C C 109.91 4.72 16.30 22.10 115.70 89.28 -92.74 132.46 95.14 1.47 3.39 60.58 30.44 4.00 2.45 0.92 0.00 0.49 1.13 18 P C T 85.78 8.55 11.76 21.44 96.16 -128.27 -64.44 -22.72 95.91 0.44 3.65 26.24 21.46 48.66 1.41 1.78 0.00 0.21 0.25 19 S C T 88.79 2.07 15.82 18.18 97.48 58.19 -85.01 -1.98 95.77 0.55 3.68 26.86 24.26 45.10 1.30 1.92 0.00 0.26 0.29 20 K C S 78.78 10.42 13.78 25.25 112.34 84.06 -96.84 124.89 93.53 1.03 5.44 44.04 47.08 2.37 4.68 0.80 0.00 0.27 0.76 21 P C C 59.99 7.79 19.27 28.00 106.17 -121.95 -66.48 134.23 69.09 1.17 29.74 52.37 5.56 8.77 29.97 2.21 0.00 0.46 0.67 22 C H H 21.13 20.63 15.45 35.21 95.06 -139.43 -66.48 -35.09 31.77 0.44 67.79 18.48 4.38 9.27 65.44 1.99 0.01 0.15 0.27 23 G H H 23.23 11.90 20.27 32.37 92.61 58.21 -62.93 -41.81 8.96 0.07 90.97 4.18 1.39 3.29 89.90 1.17 0.00 0.03 0.04 24 K H H 119.37 3.53 24.76 28.25 92.16 49.87 -65.90 -39.83 2.23 0.02 97.75 1.18 0.27 0.79 97.24 0.50 0.00 0.01 0.00 25 E H H 31.64 16.91 20.26 36.81 92.21 50.89 -64.84 -41.43 0.62 0.00 99.38 0.28 0.06 0.25 99.23 0.17 0.00 0.00 0.00 26 L H H 19.10 21.01 20.15 40.49 91.36 51.08 -63.16 -42.35 0.19 0.00 99.81 0.06 0.01 0.08 99.79 0.05 0.00 0.00 0.00 27 L H H 78.09 6.97 25.07 32.30 91.38 50.91 -63.60 -42.01 0.09 0.00 99.91 0.02 0.00 0.05 99.91 0.02 0.00 0.00 0.00 28 A H H 34.25 8.36 23.96 33.13 91.60 50.54 -63.85 -42.35 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 29 L H H 10.99 22.06 20.39 41.92 91.56 49.71 -64.00 -43.17 0.08 0.00 99.92 0.01 0.00 0.06 99.92 0.02 0.00 0.00 0.00 30 I H H 36.58 14.92 22.36 37.14 91.44 49.67 -63.71 -42.19 0.19 0.00 99.81 0.01 0.01 0.15 99.81 0.03 0.00 0.00 0.00 31 D H H 71.88 3.59 25.50 28.42 91.48 50.41 -63.69 -41.66 0.63 0.00 99.37 0.05 0.04 0.48 99.32 0.11 0.00 0.00 0.00 32 C H H 16.23 12.82 18.87 33.24 91.65 50.73 -64.02 -41.95 1.08 0.00 98.91 0.08 0.06 0.85 98.59 0.41 0.00 0.00 0.00 33 T H H 21.38 17.74 16.24 33.86 91.90 50.58 -64.73 -39.55 2.77 0.01 97.22 0.32 0.24 2.06 96.39 0.97 0.01 0.00 0.00 34 R H H 136.58 5.13 19.38 25.36 91.89 52.44 -66.23 -36.69 8.55 0.04 91.41 0.91 0.80 6.68 90.07 1.48 0.03 0.02 0.02 35 R H H 147.86 3.05 18.54 21.62 95.05 48.88 -80.02 -23.59 19.94 0.12 79.95 2.07 2.47 15.62 77.88 1.78 0.06 0.04 0.08 36 N C H 58.39 11.59 11.64 23.80 107.17 57.33 -99.71 61.92 55.71 0.84 43.45 18.46 11.06 27.33 39.75 2.50 0.05 0.28 0.57 37 F C T 139.16 5.09 13.55 20.14 102.86 -155.23 -71.93 34.76 83.36 1.13 15.51 25.70 17.78 40.20 10.89 4.18 0.01 0.46 0.78 38 S C S 69.11 4.46 13.16 19.01 116.41 28.21 -93.38 133.63 88.31 1.28 10.41 23.90 37.66 27.46 4.36 5.01 0.01 0.45 1.14 39 G C T 57.30 2.57 13.75 17.41 96.72 -85.74 -30.64 -23.70 80.66 0.50 18.84 10.07 20.08 51.01 7.96 10.17 0.01 0.22 0.48 40 D C T 101.59 3.24 14.87 19.04 99.13 62.60 -88.31 3.79 78.45 0.78 20.77 20.35 16.20 42.61 10.13 9.74 0.01 0.33 0.63 41 A C C 30.23 14.41 11.05 25.45 98.59 94.03 -78.41 -12.85 64.77 1.13 34.10 41.21 12.84 11.29 24.86 8.53 0.01 0.44 0.81 42 D H H 84.72 6.74 16.70 24.32 96.24 83.38 -69.18 -33.18 49.66 0.44 49.90 29.82 10.03 10.21 45.90 3.61 0.00 0.16 0.26 43 G H H 39.56 3.03 20.28 22.71 94.61 51.13 -64.36 -41.97 19.53 0.19 80.29 7.44 5.21 7.78 76.52 2.86 0.02 0.07 0.10 44 T H H 48.55 8.48 19.12 28.50 92.91 51.47 -66.29 -40.96 8.83 0.11 91.06 2.95 1.72 4.53 88.64 2.03 0.02 0.05 0.05 45 C H H 11.46 19.28 14.31 33.71 92.50 50.21 -64.77 -41.58 6.99 0.14 92.88 3.30 1.12 2.95 90.93 1.56 0.01 0.07 0.05 46 M H H 96.88 4.59 22.20 27.00 91.55 52.42 -63.39 -41.47 1.79 0.02 98.18 0.92 0.26 0.61 97.86 0.33 0.00 0.01 0.01 47 R H H 139.07 2.24 23.67 24.85 91.60 49.82 -64.25 -41.56 0.70 0.00 99.29 0.23 0.07 0.30 99.26 0.13 0.00 0.00 0.00 48 E H H 34.43 16.43 18.27 34.66 91.93 49.46 -65.14 -41.57 0.46 0.00 99.54 0.12 0.04 0.22 99.54 0.08 0.00 0.00 0.00 49 R H H 83.45 14.19 20.13 33.61 91.47 52.05 -62.38 -42.00 0.30 0.00 99.70 0.06 0.02 0.14 99.74 0.04 0.00 0.00 0.00 50 A H H 58.70 2.36 24.99 25.75 91.37 50.10 -63.27 -42.30 0.30 0.00 99.70 0.05 0.02 0.16 99.75 0.04 0.00 0.00 0.00 51 A H H 30.00 8.94 21.28 31.40 91.70 50.12 -64.20 -42.10 0.28 0.00 99.72 0.04 0.01 0.16 99.75 0.04 0.00 0.00 0.00 52 L H H 15.77 20.18 16.49 36.72 91.80 51.21 -63.68 -41.70 0.35 0.00 99.65 0.04 0.02 0.21 99.66 0.08 0.00 0.00 0.00 53 A H H 55.22 5.35 22.96 28.57 91.25 51.35 -63.30 -41.18 0.80 0.00 99.20 0.09 0.04 0.53 99.11 0.23 0.00 0.00 0.00 54 R H H 134.11 2.39 23.51 24.79 91.83 50.25 -65.18 -40.36 3.01 0.01 96.99 0.25 0.18 2.32 96.59 0.65 0.00 0.00 0.00 55 C H H 18.55 15.57 15.82 32.22 92.26 50.84 -65.87 -38.93 8.56 0.02 91.42 0.98 0.74 6.37 90.64 1.24 0.01 0.01 0.01 56 S H H 39.31 12.86 16.09 29.23 92.40 55.29 -68.40 -28.90 30.44 0.23 69.34 7.04 3.80 19.41 67.32 2.18 0.03 0.09 0.14 57 S C H 78.26 2.51 18.14 20.62 94.44 59.32 -75.64 -17.92 61.15 0.41 38.44 20.99 7.14 32.40 36.18 2.88 0.01 0.16 0.24 58 Q C C 97.74 6.89 13.22 21.29 103.88 78.86 -82.04 38.83 78.58 0.44 20.98 52.50 10.86 13.38 20.61 2.21 0.00 0.16 0.28 59 R C C 134.99 6.82 12.43 20.49 108.09 78.22 -86.83 98.80 82.27 0.50 17.23 65.11 7.37 8.11 16.79 2.11 0.00 0.21 0.30 60 K C C 127.65 5.01 12.76 19.22 109.00 163.83 -82.37 117.85 72.72 0.65 26.64 54.63 8.56 8.31 24.05 3.81 0.00 0.28 0.36 61 K C C 145.43 3.15 14.13 18.26 101.54 33.51 -77.88 -12.80 63.05 0.89 36.06 42.92 9.44 10.13 31.21 5.47 0.00 0.39 0.44 62 T C C 63.32 8.43 11.99 21.56 109.74 75.65 -89.92 123.65 60.37 0.91 38.72 39.90 11.80 8.32 34.86 4.31 0.00 0.37 0.42 63 S C C 56.46 5.51 16.38 22.68 103.79 -101.44 -74.05 -29.90 57.21 1.01 41.78 45.28 6.00 5.05 40.17 2.62 0.00 0.41 0.47 64 K H H 103.20 10.44 14.12 24.85 93.86 -0.03 -62.91 -38.86 6.15 0.04 93.81 2.88 1.00 1.99 93.22 0.88 0.00 0.01 0.01 65 G H H 41.10 3.08 18.36 21.55 92.76 52.59 -64.95 -39.69 3.70 0.02 96.28 1.23 0.49 1.72 95.78 0.76 0.00 0.01 0.01 66 E H H 88.99 5.12 19.31 25.03 92.45 50.15 -66.28 -40.38 2.16 0.02 97.82 0.82 0.30 1.00 97.16 0.70 0.00 0.01 0.00 67 I H H 22.70 17.48 15.49 33.26 92.06 50.65 -64.22 -43.19 0.95 0.01 99.05 0.33 0.12 0.40 98.95 0.19 0.00 0.00 0.00 68 L H H 63.16 9.47 19.62 29.68 91.69 50.59 -63.13 -41.39 0.57 0.00 99.43 0.16 0.05 0.26 99.43 0.10 0.00 0.00 0.00 69 N H H 86.18 2.44 22.85 24.03 91.61 49.81 -64.31 -41.56 0.45 0.00 99.55 0.11 0.03 0.24 99.54 0.08 0.00 0.00 0.00 70 H H H 61.27 10.86 20.17 31.57 91.97 49.53 -64.77 -41.93 0.44 0.00 99.56 0.08 0.03 0.26 99.55 0.07 0.00 0.00 0.00 71 L H H 26.19 18.57 17.46 35.88 91.83 50.08 -64.42 -41.60 0.46 0.00 99.54 0.08 0.03 0.27 99.55 0.06 0.00 0.00 0.00 72 K H H 111.42 5.09 22.25 27.80 91.59 50.85 -63.69 -40.94 0.37 0.00 99.63 0.07 0.02 0.20 99.65 0.05 0.00 0.00 0.00 73 N H H 82.90 3.50 23.17 26.19 91.95 49.31 -64.93 -41.60 0.47 0.00 99.53 0.07 0.03 0.29 99.54 0.07 0.00 0.00 0.00 74 L H H 31.82 15.05 19.22 34.50 91.97 49.11 -64.49 -42.40 0.36 0.00 99.64 0.05 0.02 0.22 99.62 0.08 0.00 0.00 0.00 75 A H H 23.28 12.82 18.39 32.22 91.63 50.95 -63.02 -42.14 0.35 0.00 99.65 0.05 0.02 0.21 99.61 0.11 0.00 0.00 0.00 76 A H H 53.40 2.82 21.73 23.86 91.50 50.77 -63.65 -40.97 0.86 0.00 99.14 0.08 0.05 0.63 98.98 0.26 0.00 0.00 0.00 77 S H H 37.23 6.75 17.76 26.05 91.80 51.10 -64.67 -40.99 2.18 0.00 97.81 0.23 0.16 1.60 97.36 0.64 0.00 0.00 0.00 78 W H H 56.86 15.00 13.48 28.80 92.34 51.15 -65.21 -39.72 3.04 0.01 96.94 0.50 0.30 2.05 95.21 1.92 0.00 0.01 0.00 79 K H H 129.05 4.14 15.69 21.10 91.79 52.39 -64.47 -38.03 6.09 0.03 93.88 0.82 0.48 4.52 90.18 3.97 0.01 0.01 0.01 80 R H H 167.95 1.43 15.84 16.92 93.02 52.23 -69.02 -31.42 14.83 0.05 85.12 1.18 1.10 12.22 81.87 3.55 0.03 0.02 0.03 81 F H H 102.43 7.86 11.67 20.73 98.71 44.07 -92.62 -4.08 40.09 0.26 59.64 3.60 4.43 31.71 56.65 3.24 0.08 0.10 0.19 82 G C T 43.54 4.53 14.00 20.04 107.36 -108.71 91.27 17.66 94.34 0.54 5.11 44.60 1.97 47.94 4.26 0.73 0.00 0.22 0.29 83 F C C 95.79 12.14 12.61 24.73 110.50 -50.12 -89.85 113.89 99.91 0.08 0.01 99.84 0.08 0.03 0.00 0.00 0.00 0.03 0.01