# 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 101.23 8.84 12.73 22.47 115.01 -161.54 -97.57 127.79 99.91 0.07 0.02 99.83 0.09 0.04 0.00 0.00 0.00 0.03 0.01 1 S C C 68.91 5.86 10.90 18.36 113.52 -156.35 -93.54 137.96 95.26 1.47 3.28 87.36 1.49 7.11 1.60 0.98 0.00 0.80 0.66 2 N C C 127.55 1.82 12.89 15.40 103.48 -143.41 -88.05 20.76 90.91 1.95 7.14 49.95 25.86 15.48 4.14 2.64 0.00 0.90 1.03 3 V C C 53.78 12.03 8.15 20.49 116.77 127.45 -94.50 133.73 88.81 2.01 9.18 56.20 26.40 6.14 7.11 2.11 0.00 0.75 1.29 4 S C C 60.85 2.90 15.64 18.86 116.90 -124.86 -78.39 155.87 87.22 0.60 12.18 77.22 6.85 2.02 12.53 0.85 0.00 0.21 0.32 5 D H H 92.06 6.59 11.73 19.89 94.08 -111.40 -60.50 -37.31 8.40 0.06 91.54 3.48 1.44 3.77 89.07 2.18 0.01 0.03 0.03 6 A H H 71.06 1.66 15.42 16.55 93.13 53.79 -65.35 -38.91 4.50 0.03 95.47 1.19 0.58 2.64 93.63 1.93 0.00 0.01 0.01 7 Q H H 85.95 4.43 15.83 21.34 93.03 50.35 -66.94 -39.31 2.29 0.03 97.68 0.91 0.31 1.12 95.79 1.85 0.00 0.02 0.01 8 I H H 29.55 14.81 12.38 27.81 92.56 51.25 -64.46 -42.07 1.25 0.01 98.74 0.49 0.16 0.55 98.27 0.51 0.00 0.01 0.00 9 Q H H 85.98 4.99 17.08 23.11 92.02 50.99 -63.75 -40.64 1.36 0.01 98.63 0.43 0.13 0.67 98.38 0.37 0.00 0.01 0.00 10 E H H 102.40 1.87 18.36 19.10 92.07 50.32 -64.72 -41.35 1.64 0.01 98.34 0.40 0.17 0.93 97.97 0.51 0.00 0.01 0.00 11 W H H 67.62 9.85 14.45 25.93 92.51 50.20 -65.78 -41.21 2.46 0.03 97.52 0.57 0.27 1.47 96.78 0.89 0.01 0.01 0.00 12 I H H 52.98 13.50 12.60 26.38 92.64 50.54 -65.84 -38.97 4.77 0.04 95.20 1.01 0.49 3.10 93.90 1.45 0.01 0.02 0.01 13 K H H 146.76 1.99 15.87 18.31 92.24 52.59 -67.83 -31.02 13.61 0.06 86.34 1.78 1.43 10.17 85.18 1.36 0.02 0.02 0.03 14 R C H 162.10 1.64 15.11 16.44 95.66 51.46 -83.80 -7.79 50.40 0.23 49.37 5.76 7.92 35.09 49.40 1.57 0.04 0.07 0.17 15 G C T 38.69 8.65 12.52 22.34 108.47 -120.09 76.73 55.80 94.56 0.46 4.97 39.74 10.76 44.47 3.37 1.22 0.00 0.20 0.24 16 E C C 88.46 8.67 14.98 24.88 120.74 -139.66 -95.76 141.40 94.28 2.80 2.91 72.23 18.63 2.89 2.18 0.74 0.00 0.81 2.52 17 D C C 61.72 9.31 17.16 27.71 106.77 -118.90 -82.73 111.54 98.97 0.30 0.73 95.50 3.11 0.43 0.59 0.09 0.00 0.13 0.14 18 P H H 29.28 16.28 15.57 32.77 93.48 -168.30 -68.24 -25.66 39.03 0.20 60.77 26.26 3.10 7.80 61.24 1.43 0.00 0.07 0.10 19 K H H 66.98 15.84 16.41 31.62 92.04 64.94 -62.07 -40.94 6.75 0.03 93.22 2.44 0.88 3.13 92.56 0.95 0.00 0.01 0.01 20 E H H 108.47 3.05 21.22 23.96 92.02 51.03 -64.89 -39.96 2.31 0.02 97.67 1.10 0.28 0.86 96.93 0.82 0.00 0.01 0.00 21 F H H 75.18 6.87 18.97 26.97 92.22 49.51 -65.29 -41.35 0.96 0.01 99.03 0.39 0.11 0.41 98.60 0.49 0.00 0.01 0.00 22 L H H 14.33 19.71 15.41 35.26 92.22 49.80 -64.33 -42.94 0.57 0.01 99.43 0.19 0.06 0.27 99.18 0.28 0.00 0.00 0.00 23 L H H 55.32 13.74 17.12 30.88 91.85 51.23 -63.31 -41.27 0.57 0.00 99.42 0.11 0.05 0.34 99.18 0.30 0.00 0.00 0.00 24 K H H 136.14 1.68 21.34 21.72 92.10 49.15 -66.15 -39.12 1.44 0.00 98.56 0.12 0.08 1.16 98.03 0.61 0.00 0.00 0.00 25 E H H 92.16 6.61 19.31 26.41 93.96 45.47 -72.70 -34.52 7.23 0.00 92.76 0.18 0.25 7.15 91.51 0.90 0.01 0.00 0.00 26 C H H 11.06 19.73 12.96 32.81 97.86 42.63 -90.37 -20.87 29.55 0.03 70.42 1.24 1.80 26.07 68.91 1.92 0.02 0.01 0.03 27 A H G 41.92 12.87 14.87 28.20 92.60 81.79 -58.99 -42.09 15.38 0.08 84.54 3.73 1.78 8.79 24.33 61.28 0.00 0.04 0.03 28 P H G 99.67 1.66 20.18 20.58 91.72 52.47 -66.63 -28.15 12.28 0.03 87.69 0.98 0.90 9.40 20.67 68.01 0.00 0.02 0.01 29 Q H G 97.97 6.50 17.76 24.97 95.10 48.74 -88.46 -14.09 12.66 0.07 87.26 1.36 1.29 9.02 20.73 67.54 0.00 0.04 0.02 30 C H C 13.35 20.67 10.25 30.16 98.77 63.60 -90.57 6.88 45.60 1.61 52.80 28.54 7.60 10.61 26.51 25.11 0.04 0.76 0.84 31 T H H 74.54 4.29 18.59 23.67 92.97 100.43 -62.71 -40.46 6.49 0.03 93.48 2.52 1.17 2.76 92.72 0.80 0.00 0.01 0.01 32 A H H 62.46 2.63 20.64 22.47 92.42 51.69 -65.31 -39.71 2.04 0.01 97.95 0.44 0.19 1.20 97.69 0.46 0.00 0.00 0.00 33 W H H 41.62 16.46 15.21 31.80 92.46 51.04 -65.74 -40.94 0.47 0.00 99.53 0.11 0.04 0.24 99.37 0.24 0.00 0.00 0.00 34 K H H 86.49 11.87 17.86 29.70 91.79 52.81 -62.79 -41.73 0.13 0.00 99.87 0.02 0.01 0.07 99.84 0.06 0.00 0.00 0.00 35 E H H 119.98 1.43 22.25 21.31 91.69 49.71 -64.47 -41.36 0.12 0.00 99.88 0.01 0.00 0.07 99.88 0.03 0.00 0.00 0.00 36 K H H 89.06 7.09 20.29 27.96 91.87 48.86 -65.16 -40.97 0.17 0.00 99.83 0.01 0.01 0.11 99.84 0.03 0.00 0.00 0.00 37 L H H 16.66 19.49 14.96 34.52 91.82 50.59 -63.87 -41.88 0.18 0.00 99.82 0.01 0.01 0.12 99.84 0.03 0.00 0.00 0.00 38 G H H 35.50 4.04 22.13 26.17 91.79 51.31 -62.70 -41.49 0.41 0.00 99.59 0.03 0.01 0.28 99.65 0.03 0.00 0.00 0.00 39 R H H 131.85 2.21 23.05 23.86 91.96 49.81 -64.84 -41.62 0.36 0.00 99.64 0.04 0.02 0.22 99.69 0.03 0.00 0.00 0.00 40 C H H 12.08 16.65 16.40 33.93 91.93 50.07 -64.51 -42.08 0.29 0.00 99.71 0.04 0.01 0.16 99.73 0.04 0.00 0.00 0.00 41 E H H 64.42 11.93 18.65 30.92 91.48 52.16 -62.70 -41.48 0.28 0.00 99.72 0.03 0.01 0.16 99.74 0.05 0.00 0.00 0.00 42 A H H 61.74 1.73 22.42 21.94 91.50 50.39 -63.57 -41.69 0.63 0.00 99.37 0.07 0.04 0.41 99.33 0.15 0.00 0.00 0.00 43 K H H 85.23 6.75 19.25 26.84 92.13 50.05 -65.39 -41.12 2.00 0.00 98.00 0.21 0.12 1.44 97.80 0.42 0.00 0.00 0.00 44 L H H 19.23 18.92 12.81 31.65 92.41 50.43 -65.94 -39.40 4.99 0.02 94.99 0.77 0.45 3.50 93.90 1.35 0.01 0.01 0.01 45 K H H 129.18 3.77 17.77 22.67 91.69 53.90 -65.37 -33.66 20.81 0.07 79.12 2.26 1.66 16.53 76.79 2.67 0.02 0.03 0.04 46 S H H 77.33 1.69 17.26 18.12 93.56 54.32 -74.98 -21.70 48.73 0.18 51.09 7.17 4.40 36.53 48.02 3.68 0.02 0.06 0.12 47 L C C 56.39 12.45 10.14 22.86 99.47 67.45 -83.64 0.78 67.13 0.68 32.19 38.02 14.18 15.06 25.90 6.06 0.01 0.23 0.54 48 V C C 94.66 6.03 12.33 19.71 97.53 94.55 -71.01 -27.01 75.83 0.77 23.40 32.85 11.68 31.94 15.91 6.73 0.00 0.31 0.57 49 N C T 129.41 1.25 14.89 15.68 98.89 46.05 -84.06 6.97 82.22 0.55 17.23 29.64 15.60 37.65 10.06 6.42 0.00 0.22 0.42 50 A C C 55.47 8.85 9.31 19.05 107.06 110.13 -85.18 90.35 88.42 0.63 10.95 44.32 31.76 12.58 6.19 4.30 0.00 0.20 0.65 51 D C C 84.27 4.02 13.98 18.96 112.32 -62.41 -99.38 115.39 97.46 0.58 1.96 73.90 21.52 1.94 0.94 0.92 0.00 0.18 0.61 52 P C T 94.16 6.31 11.28 19.39 93.98 -137.51 -64.07 -20.38 67.70 0.24 32.06 7.31 6.85 52.37 7.21 25.97 0.00 0.12 0.16 53 E C T 145.22 1.85 15.47 17.44 96.01 61.27 -83.83 -6.55 66.44 0.43 33.13 7.33 6.64 51.25 8.40 25.88 0.00 0.24 0.26 54 M C C 68.52 11.15 12.00 24.09 114.01 94.49 -84.48 131.96 65.83 1.45 32.72 38.75 16.48 10.54 9.94 22.81 0.00 0.67 0.80 55 S C C 45.53 8.82 18.06 27.67 121.18 -158.35 -109.08 150.38 76.08 3.20 20.73 58.23 9.81 7.81 14.36 6.06 0.00 1.29 2.43 56 C C T 29.40 18.39 14.84 32.53 97.57 -137.30 -80.74 -6.06 71.57 1.43 27.00 25.84 20.94 26.01 19.08 6.59 0.03 0.59 0.92 57 M C H 76.63 11.51 18.60 30.16 93.92 85.89 -67.84 -34.07 50.39 1.27 48.33 16.47 15.74 19.40 42.68 4.32 0.11 0.42 0.85 58 Y H H 111.28 5.22 21.42 26.95 92.50 56.80 -64.03 -41.33 15.90 0.16 83.94 4.64 3.74 7.90 80.61 2.93 0.03 0.07 0.09 59 P H H 31.15 14.44 18.90 33.54 92.64 49.61 -66.43 -38.86 11.07 0.12 88.80 3.86 1.38 5.78 86.13 2.72 0.02 0.06 0.05 60 L H H 24.54 19.60 18.23 37.04 92.40 51.71 -64.68 -40.88 2.74 0.02 97.23 0.82 0.35 1.48 95.69 1.65 0.00 0.01 0.01 61 R H H 107.65 7.48 22.51 30.27 91.95 51.80 -64.14 -40.48 0.66 0.00 99.33 0.16 0.06 0.37 99.11 0.30 0.00 0.00 0.00 62 D H H 58.26 8.87 22.54 31.64 92.03 50.31 -65.79 -40.63 0.48 0.00 99.52 0.09 0.03 0.31 99.42 0.15 0.00 0.00 0.00 63 W H H 23.46 21.03 20.00 40.22 91.84 50.05 -63.97 -43.03 0.20 0.00 99.80 0.02 0.01 0.13 99.78 0.05 0.00 0.00 0.00 64 V H H 32.97 15.95 21.92 37.32 91.58 49.61 -63.85 -42.29 0.06 0.00 99.94 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 65 T H H 62.31 4.86 24.93 29.89 91.68 50.38 -64.22 -42.14 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 66 C H H 14.26 15.30 20.35 36.51 91.85 49.76 -63.81 -43.45 0.07 0.00 99.93 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 67 I H H 9.97 22.66 19.14 41.35 91.48 48.43 -64.02 -43.46 0.09 0.00 99.91 0.00 0.00 0.07 99.91 0.02 0.00 0.00 0.00 68 E H H 83.17 10.64 21.68 32.15 91.97 49.46 -65.52 -39.54 0.24 0.00 99.76 0.01 0.01 0.21 99.72 0.05 0.00 0.00 0.00 69 A H H 61.82 4.91 22.98 27.89 97.11 42.03 -78.74 -36.56 2.71 0.00 97.29 0.02 0.04 3.06 96.70 0.18 0.00 0.00 0.00 70 C H H 32.59 14.26 19.45 33.82 104.06 30.20 -100.03 -34.68 27.69 0.00 72.31 0.10 0.34 28.57 70.58 0.42 0.00 0.00 0.00 71 V H H 14.82 20.05 17.83 37.56 102.11 33.07 -99.36 -25.61 24.48 0.02 75.50 0.58 1.34 22.46 74.75 0.82 0.02 0.00 0.02 72 Q H H 56.60 14.44 18.72 33.05 92.66 77.28 -58.83 -44.89 2.28 0.00 97.71 0.43 0.19 1.35 94.66 3.36 0.00 0.00 0.00 73 P H H 68.23 4.70 22.69 27.46 91.94 48.96 -64.80 -39.53 1.28 0.00 98.71 0.16 0.08 0.88 95.61 3.28 0.00 0.00 0.00 74 A H H 32.30 9.50 20.28 30.76 92.30 49.50 -65.99 -41.50 0.70 0.00 99.30 0.09 0.05 0.47 96.23 3.15 0.00 0.00 0.00 75 I H H 19.43 18.37 17.21 35.64 92.27 48.84 -64.94 -43.17 1.11 0.01 98.88 0.20 0.10 0.72 97.77 1.20 0.00 0.00 0.00 76 T H H 46.80 10.92 17.94 29.45 91.93 49.81 -63.98 -40.74 2.44 0.02 97.53 0.51 0.26 1.61 95.88 1.72 0.00 0.01 0.01 77 R H H 145.87 2.62 19.53 22.18 92.29 50.40 -65.82 -39.01 5.08 0.02 94.90 0.55 0.36 3.99 91.80 3.27 0.01 0.01 0.01 78 N H H 77.68 8.15 17.44 26.23 94.05 47.17 -72.18 -34.27 11.50 0.03 88.47 0.83 0.75 9.66 85.74 2.97 0.02 0.01 0.02 79 L H H 45.76 14.66 14.06 28.64 98.19 45.11 -84.78 -27.16 25.45 0.24 74.32 3.74 3.41 18.76 71.12 2.68 0.07 0.09 0.14 80 F C H 99.79 8.37 14.26 23.48 100.27 55.96 -82.43 -11.25 52.27 2.47 45.27 16.54 14.82 23.16 39.71 3.12 0.22 0.86 1.56 81 G C C 41.47 5.37 13.30 19.92 104.37 53.85 -16.23 -22.16 67.92 1.10 30.99 30.67 12.00 25.89 17.63 12.63 0.01 0.50 0.68 82 S C C 74.63 4.22 11.12 16.77 101.41 49.18 -81.81 -4.32 61.89 1.04 37.06 26.62 13.41 22.62 13.20 23.03 0.02 0.49 0.61 83 K C C 140.45 2.95 10.76 15.17 102.30 79.17 -82.96 0.58 63.32 1.60 35.08 27.70 14.22 22.40 10.35 23.69 0.02 0.78 0.84 84 Y C C 151.45 4.15 9.21 14.99 105.56 77.17 -90.90 40.17 74.89 1.28 23.83 56.69 3.26 16.52 8.28 13.86 0.00 0.74 0.65 85 M C C 112.30 6.29 10.73 18.44 107.87 113.86 -89.21 89.66 99.95 0.03 0.03 99.85 0.07 0.05 0.01 0.00 0.00 0.01 0.00