# 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 A C C 62.60 6.76 12.65 20.72 113.35 -120.72 -75.92 146.67 99.90 0.02 0.09 99.80 0.07 0.06 0.06 0.00 0.00 0.00 0.00 1 D C C 95.07 3.98 12.00 17.38 108.50 -112.06 -81.05 124.03 74.96 0.20 24.84 69.86 0.70 3.48 25.13 0.65 0.00 0.06 0.12 2 S H H 68.90 3.42 11.75 16.34 97.47 -136.39 -69.18 -34.45 28.45 0.15 71.40 18.22 4.01 5.86 70.40 1.38 0.00 0.05 0.08 3 A H H 55.48 5.24 11.96 18.57 93.65 55.18 -65.33 -38.05 9.64 0.05 90.30 4.22 1.61 3.75 88.95 1.42 0.00 0.02 0.03 4 A H H 52.98 4.11 13.47 18.97 92.35 52.27 -64.93 -40.51 4.85 0.04 95.11 2.31 0.75 1.83 93.99 1.09 0.00 0.01 0.01 5 K H H 108.13 2.88 15.60 18.90 92.07 50.84 -64.94 -41.22 2.66 0.02 97.32 1.30 0.39 0.98 96.78 0.53 0.00 0.01 0.01 6 R H H 119.31 4.78 16.06 21.51 92.18 50.40 -64.80 -40.77 1.47 0.01 98.52 0.63 0.17 0.57 98.40 0.23 0.00 0.00 0.00 7 T H H 59.46 6.51 16.00 23.43 92.14 50.30 -64.86 -41.12 1.01 0.00 98.99 0.35 0.09 0.42 98.99 0.14 0.00 0.00 0.00 8 R H H 131.76 2.79 18.70 21.39 91.86 50.09 -64.73 -41.17 0.98 0.00 99.01 0.27 0.09 0.46 99.05 0.13 0.00 0.00 0.00 9 Q H H 84.93 4.29 18.76 23.33 92.12 49.49 -65.07 -41.16 0.99 0.00 99.01 0.25 0.09 0.48 99.09 0.10 0.00 0.00 0.00 10 A H H 31.82 8.44 16.20 26.18 92.09 50.92 -64.21 -41.29 1.02 0.00 98.98 0.26 0.08 0.48 99.09 0.09 0.00 0.00 0.00 11 E H H 91.50 4.39 18.75 23.42 91.82 50.55 -64.37 -41.21 0.96 0.00 99.03 0.22 0.08 0.47 99.15 0.08 0.00 0.00 0.00 12 T H H 68.67 3.22 19.54 22.51 91.95 49.59 -64.71 -41.30 0.84 0.00 99.16 0.18 0.06 0.42 99.27 0.07 0.00 0.00 0.00 13 R H H 97.41 8.29 17.82 26.84 91.94 50.07 -64.84 -40.67 0.70 0.00 99.30 0.14 0.05 0.34 99.39 0.07 0.00 0.00 0.00 14 R H H 105.12 8.65 17.87 27.02 91.81 51.28 -63.95 -41.17 0.67 0.00 99.33 0.12 0.05 0.35 99.40 0.08 0.00 0.00 0.00 15 L H H 88.79 2.96 20.81 23.09 91.91 49.89 -64.62 -41.91 0.62 0.00 99.38 0.10 0.05 0.34 99.44 0.08 0.00 0.00 0.00 16 R H H 113.19 5.03 20.23 25.50 91.99 49.23 -64.76 -41.37 0.76 0.00 99.24 0.11 0.05 0.42 99.33 0.08 0.00 0.00 0.00 17 N H H 33.52 14.65 15.99 31.18 92.37 50.21 -64.91 -40.43 1.27 0.00 98.73 0.19 0.08 0.74 98.88 0.10 0.00 0.00 0.00 18 K H H 110.16 5.00 20.49 26.02 91.68 50.96 -63.88 -40.77 0.86 0.00 99.14 0.13 0.06 0.48 99.23 0.09 0.00 0.00 0.00 19 A H H 56.23 2.97 22.02 24.06 91.93 50.00 -64.43 -41.94 0.70 0.00 99.30 0.11 0.05 0.39 99.38 0.08 0.00 0.00 0.00 20 R H H 59.54 13.97 18.98 33.01 91.98 49.09 -64.88 -41.68 0.50 0.00 99.50 0.08 0.04 0.27 99.56 0.06 0.00 0.00 0.00 21 K H H 61.43 15.24 18.53 33.36 91.46 51.86 -62.49 -42.15 0.28 0.00 99.72 0.03 0.02 0.16 99.75 0.04 0.00 0.00 0.00 22 S H H 60.55 2.39 23.90 24.87 91.52 50.17 -63.89 -40.87 0.27 0.00 99.73 0.03 0.01 0.16 99.75 0.04 0.00 0.00 0.00 23 E H H 84.36 5.73 22.73 28.71 91.73 49.77 -64.93 -41.08 0.27 0.00 99.73 0.02 0.01 0.18 99.74 0.04 0.00 0.00 0.00 24 V H H 7.43 22.61 16.23 39.15 91.63 50.01 -64.46 -43.07 0.14 0.00 99.86 0.01 0.01 0.09 99.88 0.02 0.00 0.00 0.00 25 K H H 91.93 9.88 21.88 31.85 91.19 51.52 -62.04 -42.02 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 26 T H H 73.47 2.12 24.66 24.88 91.50 49.40 -64.01 -42.15 0.11 0.00 99.89 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 27 R H H 50.96 14.12 20.79 34.91 91.90 49.41 -65.19 -41.74 0.13 0.00 99.87 0.01 0.00 0.09 99.87 0.03 0.00 0.00 0.00 28 M H H 17.99 21.59 17.82 38.99 91.34 51.10 -63.21 -42.05 0.15 0.00 99.85 0.01 0.01 0.10 99.86 0.02 0.00 0.00 0.00 29 R H H 128.59 3.90 24.08 28.12 91.20 51.29 -63.13 -41.22 0.09 0.00 99.91 0.01 0.00 0.06 99.92 0.02 0.00 0.00 0.00 30 K H H 101.07 4.66 24.27 28.95 91.75 49.72 -64.75 -41.39 0.10 0.00 99.90 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 31 V H H 7.67 22.27 18.53 40.82 91.56 49.30 -64.07 -43.53 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 32 F H H 58.13 14.03 21.94 35.66 91.32 49.89 -63.64 -41.89 0.07 0.00 99.93 0.01 0.00 0.05 99.93 0.02 0.00 0.00 0.00 33 E H H 109.04 2.23 26.05 26.80 91.48 50.65 -63.96 -41.86 0.12 0.00 99.88 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 34 A H H 16.79 13.22 20.34 34.58 91.68 50.10 -64.12 -42.24 0.27 0.00 99.73 0.02 0.01 0.18 99.74 0.05 0.00 0.00 0.00 35 L H H 12.38 21.09 17.58 38.65 91.55 49.68 -64.15 -41.65 0.48 0.00 99.52 0.05 0.02 0.31 99.51 0.10 0.00 0.00 0.00 36 D H H 73.57 4.39 23.18 27.49 91.31 51.12 -64.06 -40.45 0.99 0.00 99.01 0.10 0.06 0.70 98.83 0.32 0.00 0.00 0.00 37 A H H 47.25 3.83 20.75 24.85 91.63 51.33 -64.92 -38.77 2.09 0.00 97.90 0.16 0.13 1.63 97.25 0.81 0.00 0.00 0.00 38 L H H 21.22 17.26 12.71 30.36 91.92 52.40 -66.91 -33.50 3.72 0.01 96.27 0.33 0.28 2.91 94.90 1.57 0.00 0.00 0.00 39 K H H 114.51 8.65 15.93 25.56 91.33 57.87 -66.63 -28.92 13.90 0.02 86.09 0.64 0.76 12.41 84.62 1.55 0.01 0.01 0.01 40 K H H 161.23 0.93 17.23 16.54 95.27 49.65 -84.78 -11.95 33.52 0.05 66.43 1.32 2.78 28.82 65.53 1.46 0.03 0.01 0.04 41 K C C 102.82 7.22 10.50 19.38 114.96 81.57 -98.13 126.55 96.78 0.34 2.88 55.23 37.99 3.39 2.37 0.54 0.00 0.07 0.41 42 S C T 93.90 1.51 13.89 16.19 107.78 -136.68 -70.05 132.65 98.08 0.17 1.75 11.72 14.07 72.18 0.27 1.56 0.00 0.11 0.09 43 G C T 60.75 1.42 16.47 17.56 98.22 23.59 76.78 11.98 98.65 0.19 1.16 17.43 13.31 67.77 0.14 1.15 0.00 0.12 0.07 44 A C C 20.93 19.24 7.09 24.59 116.28 156.47 -72.86 142.54 98.71 0.39 0.90 89.39 8.42 0.87 0.29 0.54 0.00 0.13 0.37 45 S C C 56.56 2.87 18.89 21.32 121.81 -135.34 -84.67 163.57 99.21 0.16 0.62 97.12 1.90 0.32 0.41 0.08 0.00 0.04 0.14 46 T H H 97.50 4.64 13.40 19.91 91.48 -106.77 -59.29 -36.37 14.05 0.07 85.88 2.73 2.01 8.24 69.30 17.63 0.01 0.03 0.04 47 E H H 140.16 1.25 17.93 18.15 91.50 54.35 -65.12 -37.56 8.85 0.03 91.13 0.88 0.71 6.10 72.71 19.55 0.00 0.01 0.01 48 E H H 67.14 11.82 15.53 27.86 92.55 48.82 -70.45 -35.88 7.71 0.03 92.26 0.94 0.66 5.01 72.37 20.99 0.00 0.02 0.01 49 L H H 27.28 18.24 13.79 31.77 92.99 52.56 -66.52 -38.17 9.79 0.04 90.18 1.66 1.17 6.38 81.51 9.23 0.01 0.02 0.02 50 V H H 76.71 3.53 22.34 25.47 92.00 53.91 -62.97 -42.33 4.35 0.02 95.63 1.80 0.76 1.76 94.60 1.07 0.00 0.01 0.01 51 P H H 59.26 4.85 22.71 27.84 91.64 49.71 -64.06 -40.58 2.94 0.01 97.04 1.32 0.20 1.24 96.10 1.13 0.00 0.01 0.00 52 I H H 7.21 23.35 16.06 39.53 91.76 50.40 -63.86 -42.35 0.86 0.00 99.13 0.29 0.07 0.40 98.47 0.76 0.00 0.00 0.00 53 D H H 64.21 12.27 22.00 33.72 91.31 52.17 -62.38 -41.36 0.39 0.00 99.61 0.10 0.03 0.19 99.50 0.19 0.00 0.00 0.00 54 N H H 98.93 1.90 25.84 26.14 91.58 49.74 -64.87 -40.67 0.52 0.00 99.48 0.06 0.03 0.35 99.41 0.16 0.00 0.00 0.00 55 L H H 30.20 14.79 21.19 36.08 91.84 49.39 -65.12 -42.12 0.40 0.00 99.60 0.04 0.02 0.27 99.60 0.08 0.00 0.00 0.00 56 I H H 11.63 23.16 18.46 41.23 91.54 51.64 -62.62 -42.80 0.12 0.00 99.88 0.01 0.00 0.06 99.89 0.02 0.00 0.00 0.00 57 A H H 53.70 5.01 24.70 29.89 91.21 51.32 -62.96 -41.48 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.02 0.00 0.00 0.00 58 E H H 98.23 4.05 25.98 29.86 91.63 49.71 -64.99 -41.17 0.09 0.00 99.91 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 59 A H H 3.69 22.98 18.67 41.87 91.48 50.03 -64.12 -42.98 0.09 0.00 99.91 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 60 Y H H 62.05 16.69 22.41 37.95 91.38 51.17 -62.74 -41.85 0.07 0.00 99.93 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 61 S H H 60.88 2.45 26.71 27.82 91.44 50.71 -63.97 -41.88 0.13 0.00 99.87 0.00 0.00 0.11 99.87 0.01 0.00 0.00 0.00 62 A H H 25.80 12.30 22.75 35.45 91.89 49.35 -65.03 -41.96 0.25 0.00 99.75 0.01 0.01 0.20 99.75 0.02 0.00 0.00 0.00 63 I H H 4.61 24.98 17.60 42.75 91.61 48.69 -64.40 -42.73 0.21 0.00 99.79 0.02 0.01 0.14 99.78 0.05 0.00 0.00 0.00 64 D H H 64.69 7.55 23.77 31.65 91.28 51.64 -62.70 -41.87 0.39 0.00 99.61 0.04 0.01 0.23 99.66 0.05 0.00 0.00 0.00 65 K H H 105.83 2.98 24.75 26.85 91.87 49.87 -64.85 -41.42 0.62 0.00 99.38 0.03 0.03 0.47 99.36 0.11 0.00 0.00 0.00 66 A H H 7.72 16.25 16.00 33.66 91.86 51.00 -64.30 -42.12 0.72 0.00 99.28 0.07 0.06 0.48 99.22 0.17 0.00 0.00 0.00 67 V H H 40.19 13.32 15.87 29.68 92.25 50.28 -64.53 -41.88 1.61 0.01 98.38 0.19 0.14 1.23 97.67 0.74 0.01 0.00 0.00 68 V H H 113.87 1.63 18.61 19.86 91.14 52.91 -64.75 -33.48 4.93 0.01 95.06 0.15 0.21 4.75 94.20 0.67 0.01 0.00 0.00 69 K C T 118.11 4.30 15.37 20.79 93.24 51.90 -85.92 -2.22 66.88 0.03 33.10 0.26 1.32 65.43 31.88 1.06 0.01 0.01 0.03 70 G C T 53.87 3.24 16.67 21.06 95.68 -111.11 79.24 13.38 99.63 0.01 0.36 0.46 2.97 96.31 0.20 0.05 0.00 0.00 0.00 71 T C S 45.80 11.98 15.78 28.62 95.39 121.91 -80.57 -28.53 99.82 0.11 0.07 5.34 92.81 1.72 0.03 0.02 0.00 0.04 0.04 72 L C S 15.96 21.06 11.24 31.83 132.36 26.88 -133.14 150.56 97.81 2.09 0.11 9.59 87.50 0.93 0.05 0.03 0.00 0.31 1.59 73 H C C 104.43 3.37 21.10 23.89 116.98 -104.28 -70.66 152.75 99.62 0.25 0.14 98.86 0.74 0.08 0.08 0.02 0.00 0.08 0.13 74 R H H 144.38 8.03 13.89 23.49 91.56 -108.64 -58.14 -37.40 38.97 0.11 60.92 2.49 4.23 31.87 55.81 5.43 0.05 0.04 0.09 75 N H H 112.55 1.61 20.33 20.76 92.31 53.81 -66.90 -32.47 34.10 0.07 65.83 2.12 3.11 28.48 61.98 4.20 0.04 0.02 0.05 76 T H H 41.29 8.63 18.87 28.72 93.18 50.68 -67.77 -39.51 10.31 0.06 89.64 2.77 1.44 5.93 86.43 3.37 0.01 0.02 0.03 77 A H H 6.21 20.74 13.68 34.80 91.49 53.39 -63.01 -42.75 2.39 0.01 97.60 0.63 0.30 1.29 96.79 0.99 0.00 0.01 0.00 78 A H H 50.99 6.04 21.61 28.22 91.71 51.83 -63.67 -41.14 1.00 0.00 98.99 0.25 0.11 0.51 98.62 0.51 0.00 0.00 0.00 79 R H H 134.49 2.46 23.96 25.32 92.14 49.43 -65.12 -41.23 0.69 0.00 99.31 0.13 0.06 0.37 99.15 0.28 0.00 0.00 0.00 80 R H H 67.15 14.76 20.34 34.48 92.08 49.24 -65.29 -41.38 0.56 0.00 99.44 0.09 0.05 0.30 99.40 0.16 0.00 0.00 0.00 81 K H H 56.28 17.35 19.56 35.79 91.48 51.51 -62.62 -41.99 0.77 0.00 99.23 0.12 0.06 0.42 99.26 0.14 0.00 0.00 0.00 82 S H H 55.87 3.64 24.06 27.18 91.55 50.81 -63.94 -41.30 1.12 0.00 98.87 0.20 0.08 0.59 99.00 0.13 0.00 0.00 0.00 83 R H H 108.20 5.27 24.26 29.60 91.78 49.64 -64.77 -41.49 1.05 0.00 98.94 0.17 0.08 0.58 99.02 0.14 0.00 0.00 0.00 84 L H H 12.62 20.33 18.17 38.57 91.50 49.61 -64.35 -42.19 0.95 0.00 99.04 0.22 0.08 0.47 99.08 0.15 0.00 0.00 0.00 85 A H H 32.72 11.96 20.88 33.24 91.60 51.49 -63.25 -41.36 0.88 0.00 99.12 0.21 0.07 0.42 99.15 0.15 0.00 0.00 0.00 86 R H H 140.49 2.30 24.54 25.87 91.75 49.99 -64.57 -41.33 0.88 0.00 99.12 0.14 0.06 0.50 99.08 0.22 0.00 0.00 0.00 87 N H H 51.40 11.21 21.26 32.76 92.19 49.45 -65.63 -40.82 1.46 0.00 98.54 0.22 0.09 0.91 98.48 0.29 0.00 0.00 0.00 88 K H H 42.04 18.76 18.32 36.13 91.94 51.49 -63.34 -41.62 1.82 0.00 98.17 0.32 0.15 1.11 98.00 0.41 0.00 0.00 0.00 89 K H H 102.12 6.75 21.87 29.17 91.70 51.64 -63.62 -40.80 2.43 0.01 97.56 0.66 0.25 1.27 97.18 0.63 0.00 0.00 0.00 90 V H H 69.13 4.35 22.39 26.70 91.96 49.95 -65.11 -41.20 3.80 0.03 96.17 1.10 0.39 2.16 95.45 0.88 0.00 0.02 0.01 91 V H H 21.80 14.49 17.48 32.90 92.27 49.47 -65.53 -41.95 4.15 0.09 95.76 1.34 0.70 2.26 94.57 1.04 0.01 0.05 0.02 92 E H H 49.89 13.05 16.42 30.01 92.35 51.19 -64.88 -40.61 7.06 0.40 92.55 3.41 1.24 3.02 89.82 2.14 0.02 0.25 0.10 93 I H H 94.66 4.27 17.69 22.59 93.02 49.91 -67.86 -39.78 8.53 0.44 91.03 2.65 1.10 5.01 85.97 4.79 0.04 0.32 0.11 94 H H H 117.37 4.55 16.82 22.31 92.98 49.85 -69.39 -31.56 14.02 0.40 85.58 2.10 1.58 10.48 80.65 4.70 0.10 0.24 0.15 95 H C T 77.25 11.21 13.50 25.32 96.61 47.62 -88.20 -2.72 64.68 0.28 35.04 2.40 4.39 55.96 32.26 4.60 0.04 0.12 0.23 96 G C T 50.61 3.75 17.75 22.21 97.25 -116.04 77.23 10.20 94.54 0.14 5.32 6.14 8.75 79.73 4.05 1.16 0.00 0.07 0.09 97 W C C 93.18 12.20 14.97 27.54 101.65 108.56 -89.87 -19.53 95.22 1.39 3.39 47.18 33.67 14.52 1.68 1.48 0.00 0.58 0.88 98 Y C C 71.80 14.83 14.26 28.89 122.90 38.62 -113.66 139.12 93.53 4.33 2.14 53.02 34.83 5.70 0.90 1.13 0.00 1.82 2.60 99 T C C 69.28 8.22 17.86 27.10 120.13 -157.61 -110.30 133.56 97.00 2.53 0.47 76.92 19.33 0.95 0.20 0.25 0.00 1.35 1.01 100 P C C 63.83 12.19 13.30 25.84 113.36 -111.24 -67.44 148.50 93.80 2.25 3.94 78.18 10.27 5.20 0.95 3.06 0.00 1.36 0.97 101 S C C 75.40 4.88 14.67 21.03 113.15 -105.91 -78.61 142.47 93.72 1.54 4.74 72.33 13.39 7.81 1.03 3.85 0.00 0.86 0.71 102 L C C 115.77 4.78 12.46 19.02 113.29 -106.95 -76.48 133.75 92.05 2.61 5.34 69.71 14.60 7.34 1.32 4.23 0.00 1.38 1.43 103 A C C 63.44 6.90 10.23 18.78 116.61 -120.42 -84.44 144.36 95.55 1.97 2.48 78.11 15.81 1.82 0.99 1.30 0.00 0.99 0.99 104 P C C 94.61 4.05 11.04 16.89 112.34 -105.26 -69.16 146.82 91.53 1.91 6.57 78.03 7.06 6.58 1.65 4.80 0.00 1.19 0.69 105 T C C 100.84 3.59 9.66 15.21 109.21 -120.79 -84.87 130.55 90.08 2.40 7.52 58.18 16.02 15.56 1.48 6.43 0.00 1.41 0.92 106 N C C 121.32 2.60 9.94 14.23 108.64 -142.85 -89.90 96.17 93.54 2.02 4.44 81.07 2.64 10.45 1.03 2.76 0.00 1.24 0.81 107 V C C 92.65 6.64 10.21 18.18 108.95 -161.35 -95.12 95.46 99.92 0.07 0.01 99.85 0.08 0.03 0.00 0.00 0.00 0.03 0.01