# 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 T C C 61.01 9.13 19.69 29.05 110.04 -146.63 -96.14 109.05 99.41 0.45 0.13 99.30 0.18 0.15 0.04 0.03 0.00 0.18 0.12 1 L H G 30.23 20.48 12.22 31.43 97.72 125.89 -81.00 -7.36 48.11 1.10 50.79 34.34 2.75 10.31 4.05 47.59 0.00 0.69 0.27 2 N H G 96.07 6.80 15.55 23.55 94.56 75.66 -71.43 -15.06 47.72 0.80 51.47 9.14 7.65 29.25 2.83 50.39 0.00 0.46 0.28 3 R H G 154.96 3.28 17.74 21.53 97.93 59.61 -88.47 -2.00 45.63 1.10 53.26 11.64 9.49 24.13 2.65 51.13 0.00 0.61 0.35 4 L C S 27.74 20.30 8.73 27.54 116.94 110.62 -80.41 139.82 94.17 2.13 3.70 35.74 57.03 1.55 2.06 1.13 0.00 0.52 1.97 5 R C C 134.06 3.33 19.02 22.42 114.58 -109.61 -70.03 148.36 97.03 0.32 2.64 95.56 1.19 0.63 2.09 0.24 0.00 0.10 0.20 6 E H H 104.08 9.53 13.87 24.17 94.36 -107.92 -59.26 -41.35 3.46 0.00 96.53 0.98 0.46 1.62 96.35 0.59 0.00 0.00 0.00 7 P H H 77.19 3.06 19.08 21.95 92.20 52.23 -64.58 -36.70 2.24 0.00 97.76 0.33 0.16 1.45 97.21 0.85 0.00 0.00 0.00 8 L H H 35.37 12.35 17.23 30.60 92.51 50.94 -65.59 -41.12 0.71 0.00 99.28 0.15 0.05 0.39 98.67 0.73 0.00 0.00 0.00 9 L H H 18.34 20.36 16.25 36.24 91.68 51.73 -63.38 -41.94 0.24 0.00 99.76 0.05 0.02 0.11 99.65 0.17 0.00 0.00 0.00 10 R H H 116.24 7.31 22.26 30.07 91.43 50.98 -63.25 -41.26 0.13 0.00 99.87 0.02 0.01 0.07 99.85 0.05 0.00 0.00 0.00 11 R H H 112.68 5.23 24.48 29.77 91.56 50.02 -64.33 -41.47 0.11 0.00 99.89 0.01 0.00 0.08 99.87 0.04 0.00 0.00 0.00 12 L H H 9.42 21.80 20.52 42.03 91.58 49.62 -64.11 -42.91 0.10 0.00 99.90 0.01 0.00 0.07 99.89 0.04 0.00 0.00 0.00 13 S H H 11.15 19.48 20.30 39.58 91.11 50.87 -63.31 -41.41 0.15 0.00 99.85 0.01 0.00 0.09 99.84 0.05 0.00 0.00 0.00 14 E H H 100.63 3.80 25.80 29.42 91.79 51.16 -64.22 -41.62 0.24 0.00 99.76 0.01 0.01 0.18 99.65 0.15 0.00 0.00 0.00 15 L H H 38.74 11.96 22.38 34.90 91.64 49.89 -64.69 -42.05 0.52 0.00 99.48 0.03 0.02 0.40 99.08 0.47 0.00 0.00 0.00 16 L H H 6.18 24.48 17.12 41.54 91.40 50.51 -64.93 -38.97 1.86 0.00 98.14 0.11 0.10 1.54 96.41 1.84 0.00 0.00 0.00 17 D H H 59.88 12.19 20.04 32.37 91.41 56.05 -70.78 -21.82 22.90 0.02 77.08 0.70 0.75 21.57 74.86 2.08 0.01 0.01 0.02 18 Q C T 118.95 3.45 21.62 25.37 95.22 57.37 -89.59 -2.31 56.26 0.09 43.64 2.62 3.58 48.77 42.49 2.40 0.01 0.03 0.09 19 A C S 19.80 19.43 8.72 27.07 118.84 111.58 -75.12 148.15 97.24 0.35 2.42 30.74 63.98 2.37 2.08 0.37 0.00 0.07 0.38 20 P C C 80.14 4.04 16.15 20.97 113.22 -100.77 -68.30 153.39 89.01 1.55 9.45 63.60 10.99 13.97 3.81 5.52 0.00 0.55 1.56 21 E C T 162.53 1.27 15.46 16.82 105.43 -64.51 -58.61 123.55 84.94 0.26 14.80 4.11 12.61 68.36 4.00 10.51 0.01 0.12 0.28 22 G C T 52.30 4.59 15.85 21.31 96.18 8.67 81.95 -0.28 86.37 0.24 13.40 4.74 15.98 65.96 3.41 9.55 0.01 0.11 0.24 23 R C C 94.28 10.55 17.35 28.33 103.81 101.41 -101.28 19.31 83.14 4.55 12.31 44.49 22.43 16.03 5.56 6.02 0.02 1.39 4.06 24 G H H 7.34 16.96 19.43 36.59 105.60 116.79 -65.46 -49.23 48.63 1.33 50.04 34.30 9.63 5.16 48.09 1.56 0.01 0.36 0.89 25 W H H 9.53 25.20 19.17 44.00 92.31 4.23 -63.70 -39.07 4.53 0.03 95.44 1.25 0.67 2.54 94.26 1.24 0.01 0.01 0.01 26 R H H 92.52 13.08 24.33 36.56 91.51 53.46 -63.25 -41.61 1.37 0.01 98.62 0.30 0.14 0.83 97.48 1.24 0.00 0.01 0.00 27 R H H 109.67 6.01 27.43 34.14 91.71 50.09 -64.46 -41.10 0.84 0.01 99.15 0.20 0.08 0.48 98.05 1.18 0.00 0.01 0.00 28 L H H 5.87 23.30 22.52 45.30 91.89 50.37 -64.11 -42.99 0.59 0.00 99.41 0.11 0.05 0.34 99.03 0.47 0.00 0.00 0.00 29 A H H 4.56 23.13 20.33 43.28 91.15 51.52 -62.43 -41.65 0.54 0.00 99.46 0.09 0.04 0.31 99.23 0.33 0.00 0.00 0.00 30 E H H 101.41 4.96 26.35 31.65 91.76 50.72 -64.31 -40.49 1.14 0.01 98.86 0.16 0.08 0.79 98.37 0.61 0.00 0.00 0.00 31 L H H 48.29 10.17 23.11 33.79 92.09 49.68 -65.82 -40.10 2.57 0.03 97.41 0.31 0.24 1.93 96.74 0.75 0.01 0.01 0.00 32 A H H 7.06 21.21 16.20 37.39 93.34 51.17 -68.01 -35.18 10.30 0.19 89.51 1.54 1.49 7.50 88.05 1.19 0.06 0.07 0.09 33 G H H 21.78 12.97 16.61 29.76 97.57 53.14 -68.24 -33.28 42.55 1.03 56.42 14.98 4.85 23.41 51.97 3.67 0.05 0.45 0.60 34 S C H 75.14 3.86 16.57 21.20 97.91 58.71 -74.68 -5.38 55.59 2.21 42.21 11.95 10.79 33.53 33.99 7.09 0.31 0.96 1.38 35 R C T 156.52 3.66 14.41 19.15 98.26 36.83 -87.31 10.71 77.70 0.63 21.67 6.87 16.14 54.68 14.44 6.97 0.03 0.27 0.60 36 G C T 52.44 4.35 14.01 19.72 99.15 -93.10 78.19 5.50 91.93 0.32 7.75 10.82 25.52 56.02 2.90 4.35 0.00 0.14 0.25 37 R C S 139.94 5.25 16.16 22.58 98.62 107.26 -83.64 -18.28 95.20 1.87 2.93 36.27 41.84 17.03 0.67 2.28 0.00 0.85 1.07 38 L C C 30.71 19.45 10.49 28.87 120.41 52.48 -112.13 132.07 90.70 7.14 2.15 66.32 18.85 5.15 0.66 1.59 0.00 3.44 3.99 39 R C C 166.25 2.52 21.84 24.32 102.84 -159.28 -94.05 36.39 93.76 5.40 0.83 81.10 10.69 1.96 0.32 0.51 0.00 2.71 2.71 40 L C C 24.10 20.22 10.49 29.88 127.42 116.57 -114.97 148.34 94.48 5.19 0.33 82.21 11.85 0.27 0.27 0.08 0.00 1.66 3.66 41 S C C 54.68 3.05 21.59 23.69 120.63 -113.87 -76.77 161.73 99.12 0.44 0.43 98.63 0.56 0.12 0.34 0.03 0.00 0.13 0.18 42 C H H 70.73 10.56 13.63 24.96 91.81 -108.45 -58.58 -37.34 2.17 0.00 97.83 0.51 0.33 1.09 97.74 0.34 0.00 0.00 0.00 43 L H H 109.36 1.68 20.00 20.45 91.65 54.21 -64.17 -40.18 0.93 0.00 99.07 0.13 0.07 0.60 98.86 0.33 0.00 0.00 0.00 44 D H H 49.59 10.30 18.44 29.55 92.17 49.95 -65.41 -40.28 0.38 0.00 99.62 0.09 0.03 0.20 99.35 0.32 0.00 0.00 0.00 45 L H H 10.61 22.73 14.15 36.75 91.57 51.19 -63.73 -42.38 0.14 0.00 99.86 0.02 0.01 0.07 99.78 0.11 0.00 0.00 0.00 46 E H H 101.66 5.52 22.70 28.62 91.50 50.78 -63.43 -41.18 0.24 0.00 99.76 0.02 0.01 0.16 99.71 0.10 0.00 0.00 0.00 47 Q H H 95.71 3.22 24.38 26.94 91.68 49.62 -64.35 -40.99 0.82 0.00 99.18 0.05 0.03 0.63 99.08 0.20 0.00 0.00 0.00 48 C H H 7.07 20.02 17.77 38.25 91.76 49.72 -64.59 -42.00 2.49 0.00 97.51 0.20 0.14 1.97 96.96 0.73 0.00 0.00 0.00 49 S H H 23.88 17.56 19.37 36.30 91.62 52.87 -62.36 -42.01 4.89 0.01 95.09 0.42 0.33 4.02 92.88 2.33 0.01 0.00 0.01 50 L H H 96.93 2.98 24.40 26.64 91.87 50.38 -65.34 -39.51 6.07 0.01 93.92 0.50 0.41 5.01 88.99 5.07 0.01 0.00 0.00 51 K H H 88.12 8.51 21.82 30.55 92.15 49.83 -67.53 -38.11 9.28 0.02 90.70 0.67 0.77 7.37 81.27 9.88 0.01 0.01 0.01 52 V H H 13.44 21.93 14.80 36.39 92.68 52.40 -69.93 -31.55 26.19 0.07 73.74 1.51 1.79 22.38 65.08 9.11 0.04 0.03 0.06 53 L C T 80.90 10.23 18.50 29.07 94.95 53.32 -87.51 -5.97 54.98 0.24 44.78 4.23 6.62 43.17 37.40 8.21 0.05 0.08 0.24 54 E C S 86.94 6.67 13.99 22.69 114.49 106.38 -78.14 132.24 99.38 0.32 0.29 36.25 62.45 0.60 0.20 0.07 0.00 0.06 0.37 55 P C T 111.32 2.85 12.33 17.21 92.34 -128.49 -61.23 -28.08 98.35 0.08 1.58 3.12 8.42 86.62 0.14 1.62 0.00 0.04 0.05 56 E C T 160.30 0.85 15.51 15.21 95.94 53.96 -87.46 -0.36 98.42 0.08 1.50 2.64 8.60 86.93 0.11 1.64 0.00 0.04 0.03 57 G C S 19.88 13.11 12.44 25.98 128.14 91.09 -95.41 171.76 97.81 0.77 1.42 37.38 56.73 3.37 0.23 1.18 0.00 0.20 0.91 58 S C C 35.54 10.69 22.19 33.29 114.50 -94.36 -82.30 139.40 99.57 0.16 0.27 96.79 2.65 0.14 0.21 0.03 0.00 0.03 0.14 59 P H H 17.74 21.21 21.12 42.04 92.35 -128.87 -61.62 -34.53 6.47 0.02 93.52 2.07 0.86 3.29 92.93 0.82 0.00 0.00 0.01 60 S H H 8.50 23.24 23.28 45.53 91.40 56.04 -62.97 -41.69 2.25 0.00 97.75 0.35 0.17 1.51 97.16 0.82 0.00 0.00 0.00 61 L H H 50.37 12.93 27.12 40.09 91.56 49.65 -64.80 -40.80 0.59 0.00 99.41 0.12 0.04 0.36 98.69 0.79 0.00 0.00 0.00 62 C H H 19.70 13.37 26.16 40.30 91.71 50.97 -64.05 -42.76 0.40 0.00 99.60 0.10 0.03 0.21 99.36 0.29 0.00 0.00 0.00 63 L H H 1.87 26.29 23.68 49.74 91.60 49.68 -63.87 -43.56 0.15 0.00 99.85 0.02 0.01 0.09 99.84 0.04 0.00 0.00 0.00 64 L H H 6.84 24.30 23.19 46.64 91.64 50.47 -63.38 -42.71 0.04 0.00 99.96 0.00 0.00 0.03 99.95 0.02 0.00 0.00 0.00 65 K H H 97.67 7.75 27.12 35.48 91.66 50.55 -63.78 -42.13 0.05 0.00 99.95 0.00 0.00 0.04 99.94 0.02 0.00 0.00 0.00 66 L H H 29.36 13.13 23.70 37.28 91.89 49.06 -64.62 -42.60 0.16 0.00 99.84 0.01 0.00 0.12 99.82 0.05 0.00 0.00 0.00 67 M H H 7.16 22.59 18.03 40.68 91.83 49.56 -65.58 -41.38 0.71 0.00 99.29 0.04 0.03 0.53 99.18 0.22 0.00 0.00 0.00 68 G H H 20.30 14.94 17.30 32.12 92.02 53.28 -63.41 -40.72 4.42 0.00 95.57 0.22 0.16 3.75 94.37 1.49 0.00 0.00 0.00 69 E H H 131.33 3.20 20.45 24.34 91.33 53.68 -68.20 -26.82 16.59 0.01 83.40 0.44 0.65 15.73 81.57 1.58 0.01 0.00 0.01 70 K C T 103.13 8.46 16.83 26.04 94.58 51.08 -90.08 0.73 74.27 0.05 25.68 0.79 2.63 69.98 24.79 1.74 0.00 0.01 0.05 71 G C T 47.41 4.50 21.54 26.26 97.71 -102.22 85.41 13.71 99.68 0.02 0.30 4.98 1.87 92.94 0.15 0.05 0.00 0.01 0.00 72 C C C 16.09 20.88 12.42 32.79 118.43 160.04 -79.62 145.90 98.64 1.27 0.09 97.77 1.11 0.10 0.04 0.02 0.00 0.57 0.40 73 T C C 52.89 6.11 25.98 32.20 125.05 -133.84 -93.18 163.97 74.33 25.44 0.22 73.84 0.89 0.06 0.20 0.02 0.00 4.18 20.82 74 V H H 22.79 22.28 15.97 37.89 91.24 -107.56 -58.94 -37.62 2.37 0.03 97.60 0.57 0.38 1.45 97.02 0.54 0.01 0.01 0.01 75 T H H 75.77 5.51 23.63 29.65 91.58 55.35 -63.35 -40.99 1.08 0.01 98.91 0.11 0.08 0.86 98.39 0.55 0.00 0.00 0.00 76 E H H 70.33 9.31 23.73 33.27 91.70 48.97 -65.60 -40.74 0.48 0.00 99.52 0.07 0.04 0.35 99.05 0.49 0.00 0.00 0.00 77 L H H 1.73 26.78 18.50 45.82 91.13 49.61 -63.60 -43.35 0.15 0.00 99.85 0.02 0.01 0.08 99.82 0.07 0.00 0.00 0.00 78 S H H 16.23 17.82 21.04 38.47 91.35 51.25 -62.50 -42.58 0.16 0.00 99.84 0.01 0.01 0.09 99.86 0.02 0.00 0.00 0.00 79 D H H 82.44 2.97 26.06 28.26 91.62 50.37 -64.41 -41.58 0.16 0.00 99.84 0.01 0.00 0.10 99.86 0.02 0.00 0.00 0.00 80 F H H 27.50 14.90 20.85 36.26 92.04 49.58 -64.29 -43.37 0.14 0.00 99.86 0.01 0.00 0.09 99.86 0.03 0.00 0.00 0.00 81 L H H 4.58 23.54 15.71 39.67 91.35 49.69 -63.58 -42.57 0.24 0.00 99.76 0.02 0.01 0.16 99.72 0.09 0.00 0.00 0.00 82 Q H H 88.51 7.78 18.74 27.30 91.70 51.08 -63.88 -40.91 0.99 0.00 99.01 0.05 0.03 0.76 98.93 0.22 0.00 0.00 0.00 83 A H H 65.89 4.39 18.45 23.67 90.87 54.48 -65.37 -30.55 7.20 0.00 92.80 0.11 0.18 7.05 92.41 0.24 0.00 0.00 0.00 84 M C T 53.61 12.95 13.83 27.76 93.99 49.08 -91.14 4.19 90.62 0.01 9.37 0.20 1.03 88.91 9.57 0.27 0.00 0.00 0.01 85 E C T 150.06 2.05 19.35 21.56 93.93 -115.85 61.98 34.03 99.47 0.00 0.52 0.54 0.93 98.10 0.38 0.03 0.00 0.00 0.00 86 H C C 39.02 15.72 11.86 28.13 104.60 136.13 -104.94 67.30 99.30 0.26 0.44 98.71 0.52 0.20 0.29 0.04 0.00 0.06 0.19 87 T H H 70.44 7.19 16.28 25.05 94.33 156.87 -67.24 -34.37 8.20 0.04 91.76 5.36 0.87 2.36 87.07 4.32 0.00 0.02 0.02 88 E H H 113.73 2.95 20.80 23.61 91.61 57.96 -64.20 -38.66 2.36 0.01 97.63 0.26 0.21 1.66 89.97 7.89 0.00 0.01 0.00 89 V H H 12.87 18.46 14.68 33.59 92.15 51.58 -65.50 -40.34 1.04 0.01 98.95 0.14 0.09 0.69 91.02 8.06 0.00 0.01 0.00 90 L H H 32.14 17.44 14.11 31.42 91.52 54.61 -63.92 -38.03 1.13 0.00 98.86 0.13 0.08 0.77 89.82 9.19 0.00 0.00 0.00 91 Q H H 128.19 2.13 19.53 21.71 91.29 55.85 -65.96 -28.76 18.46 0.02 81.52 0.47 0.55 17.59 71.38 9.98 0.01 0.01 0.01 92 L H H 69.89 10.19 15.39 26.37 93.95 56.18 -77.06 -19.82 45.73 0.05 54.22 3.69 0.63 41.18 50.12 4.32 0.00 0.02 0.04 93 L C C 29.49 21.78 13.19 33.26 102.58 77.55 -76.45 16.77 99.76 0.09 0.15 99.45 0.22 0.12 0.13 0.01 0.00 0.03 0.03