# 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 109.38 5.92 13.27 20.36 113.72 -145.93 -88.28 135.51 99.95 0.03 0.03 99.89 0.05 0.03 0.01 0.00 0.00 0.01 0.00 1 A C C 60.67 6.93 10.06 18.33 109.14 -113.48 -73.83 138.77 86.88 0.99 12.13 80.54 1.01 6.09 9.83 1.55 0.00 0.47 0.53 2 N C C 108.91 3.09 11.39 15.89 105.24 -144.76 -85.96 53.71 86.03 1.07 12.90 62.74 13.55 8.96 11.32 2.35 0.00 0.44 0.64 3 I C H 89.36 5.52 10.08 17.22 104.91 97.80 -82.02 1.19 58.20 1.03 40.77 34.90 18.50 4.73 39.27 1.75 0.01 0.31 0.54 4 K H H 136.82 2.38 13.13 16.32 94.17 57.12 -63.63 -38.83 12.12 0.13 87.75 5.65 2.30 4.64 84.12 3.17 0.01 0.06 0.06 5 S H H 61.39 2.33 14.34 17.04 93.18 50.91 -66.07 -38.39 10.03 0.11 89.86 4.43 1.50 4.35 86.20 3.41 0.01 0.05 0.05 6 Q H H 70.45 5.79 13.33 20.92 92.95 51.91 -66.53 -38.68 6.29 0.09 93.62 3.43 0.94 2.28 90.76 2.50 0.00 0.05 0.03 7 I H H 72.46 6.02 14.07 21.57 92.34 51.98 -64.72 -41.38 3.18 0.04 96.78 1.73 0.47 1.09 95.97 0.70 0.00 0.02 0.01 8 K H H 118.32 2.17 17.39 19.27 92.00 51.06 -64.64 -41.02 2.60 0.03 97.37 1.29 0.32 0.97 96.98 0.43 0.00 0.01 0.01 9 R H H 130.03 3.05 17.17 20.59 92.25 50.45 -65.41 -40.61 2.34 0.02 97.64 1.03 0.27 0.96 97.37 0.36 0.00 0.01 0.01 10 I H H 67.83 7.01 15.55 23.88 92.52 49.67 -65.61 -41.31 1.86 0.01 98.12 0.74 0.21 0.79 97.99 0.26 0.00 0.00 0.00 11 R H H 124.33 3.20 18.41 21.73 92.13 50.25 -64.43 -41.44 2.30 0.01 97.69 0.82 0.25 1.02 97.64 0.25 0.00 0.00 0.01 12 T H H 63.81 3.16 18.16 21.50 92.12 49.53 -64.84 -41.81 2.64 0.01 97.35 0.86 0.30 1.20 97.42 0.21 0.00 0.00 0.00 13 N H H 58.60 6.97 16.17 24.62 92.43 50.43 -65.29 -40.49 2.38 0.01 97.62 0.81 0.26 1.01 97.74 0.17 0.00 0.00 0.00 14 E H H 92.67 4.54 17.57 22.86 91.88 51.07 -64.84 -40.78 1.59 0.00 98.41 0.45 0.15 0.74 98.50 0.14 0.00 0.00 0.00 15 R H H 134.14 2.12 19.14 20.48 91.87 50.20 -64.64 -41.19 1.10 0.00 98.90 0.28 0.10 0.53 98.98 0.12 0.00 0.00 0.00 16 R H H 107.40 6.40 17.28 24.69 92.12 49.97 -64.82 -40.97 0.89 0.00 99.11 0.22 0.07 0.43 99.17 0.11 0.00 0.00 0.00 17 R H H 108.91 7.68 17.23 25.81 91.92 50.96 -64.40 -40.67 1.00 0.00 99.00 0.22 0.08 0.51 99.07 0.12 0.00 0.00 0.00 18 L H H 91.88 2.55 20.39 22.06 92.03 49.79 -64.79 -41.39 0.94 0.00 99.05 0.20 0.08 0.50 99.10 0.12 0.00 0.00 0.00 19 R H H 120.41 3.77 20.31 24.24 91.94 49.41 -64.70 -41.34 1.09 0.00 98.91 0.23 0.09 0.59 98.97 0.12 0.00 0.00 0.00 20 N H H 35.21 14.31 15.77 30.60 92.31 49.98 -65.47 -39.75 1.55 0.00 98.44 0.33 0.13 0.87 98.52 0.14 0.00 0.00 0.00 21 Q H H 97.48 4.91 20.58 26.03 91.92 51.69 -64.22 -40.54 1.06 0.00 98.94 0.24 0.10 0.57 98.97 0.11 0.00 0.00 0.00 22 S H H 61.37 2.38 22.67 23.58 92.01 50.08 -64.86 -41.63 1.25 0.00 98.75 0.28 0.11 0.70 98.79 0.12 0.00 0.00 0.00 23 V H H 29.56 13.80 18.41 32.87 91.99 48.98 -64.71 -42.55 1.03 0.00 98.96 0.22 0.10 0.58 98.98 0.11 0.00 0.00 0.00 24 K H H 63.48 15.38 18.62 33.38 91.36 51.79 -62.44 -42.30 0.70 0.00 99.30 0.17 0.06 0.37 99.32 0.07 0.00 0.00 0.00 25 S H H 60.54 2.46 24.04 25.12 91.32 50.19 -63.94 -41.09 0.84 0.00 99.16 0.21 0.07 0.44 99.21 0.07 0.00 0.00 0.00 26 S H H 50.87 5.08 22.84 28.11 91.57 50.01 -65.06 -40.99 0.78 0.00 99.22 0.12 0.05 0.46 99.31 0.06 0.00 0.00 0.00 27 L H H 12.31 21.69 15.95 37.74 91.98 50.56 -64.58 -42.61 0.37 0.00 99.63 0.05 0.02 0.19 99.70 0.03 0.00 0.00 0.00 28 R H H 114.22 8.49 22.26 31.23 91.24 51.46 -62.28 -42.15 0.21 0.00 99.79 0.03 0.01 0.11 99.83 0.03 0.00 0.00 0.00 29 T H H 78.83 1.92 25.23 24.99 91.69 49.45 -64.08 -41.75 0.17 0.00 99.83 0.02 0.01 0.10 99.85 0.03 0.00 0.00 0.00 30 A H H 19.29 13.87 20.01 34.54 91.89 50.39 -64.40 -42.11 0.16 0.00 99.84 0.01 0.01 0.10 99.84 0.03 0.00 0.00 0.00 31 I H H 21.00 19.63 18.54 37.82 91.42 49.92 -63.59 -42.75 0.16 0.00 99.84 0.01 0.01 0.11 99.85 0.03 0.00 0.00 0.00 32 R H H 128.81 2.93 25.11 27.49 91.40 50.42 -63.34 -41.32 0.16 0.00 99.84 0.01 0.00 0.12 99.83 0.04 0.00 0.00 0.00 33 G H H 30.28 4.65 23.38 28.23 91.71 49.93 -64.38 -41.28 0.50 0.00 99.50 0.03 0.01 0.38 99.51 0.07 0.00 0.00 0.00 34 F H H 14.06 21.41 16.62 37.98 91.84 50.59 -64.58 -42.39 0.32 0.00 99.68 0.02 0.01 0.22 99.69 0.05 0.00 0.00 0.00 35 R H H 103.64 10.38 21.78 32.04 91.43 51.23 -62.50 -41.95 0.16 0.00 99.84 0.01 0.01 0.09 99.85 0.04 0.00 0.00 0.00 36 E H H 111.14 1.65 24.36 23.56 91.72 49.69 -64.22 -41.78 0.25 0.00 99.75 0.02 0.01 0.17 99.74 0.06 0.00 0.00 0.00 37 A H H 17.99 9.67 16.53 28.54 91.72 49.55 -64.18 -41.70 0.48 0.00 99.52 0.05 0.03 0.31 99.45 0.16 0.00 0.00 0.00 38 V H H 30.78 16.43 12.98 29.38 91.97 50.66 -64.21 -41.76 1.14 0.00 98.86 0.12 0.07 0.82 98.51 0.48 0.00 0.00 0.00 39 D H H 115.47 1.63 17.57 19.25 91.14 51.94 -65.89 -30.24 5.64 0.00 94.36 0.17 0.23 5.13 94.02 0.46 0.00 0.00 0.00 40 A C T 77.99 1.75 15.51 16.98 92.09 53.57 -84.05 -6.48 69.69 0.01 30.30 0.41 1.43 66.45 31.01 0.68 0.00 0.00 0.01 41 G C T 51.89 3.78 13.93 19.25 95.20 -109.47 83.47 11.49 99.73 0.01 0.26 2.96 2.86 94.00 0.14 0.04 0.00 0.00 0.00 42 D C C 70.83 5.07 14.62 21.48 104.99 140.58 -90.02 94.62 99.55 0.11 0.34 99.01 0.51 0.15 0.19 0.03 0.00 0.02 0.08 43 K H H 105.65 10.63 12.97 24.60 94.43 175.74 -65.98 -36.21 6.00 0.01 93.99 1.74 0.98 3.03 93.02 1.24 0.00 0.00 0.00 44 D H H 114.40 1.07 20.69 19.87 91.97 52.52 -64.31 -40.90 3.97 0.00 96.02 0.39 0.42 3.01 94.86 1.31 0.00 0.00 0.00 45 K H H 99.68 4.44 20.47 25.13 92.17 47.01 -66.94 -39.48 1.94 0.01 98.05 0.36 0.17 1.25 97.08 1.13 0.00 0.00 0.00 46 A H H 5.93 20.55 12.77 33.71 91.56 52.30 -63.31 -42.38 0.85 0.00 99.15 0.21 0.08 0.38 99.04 0.28 0.00 0.00 0.00 47 S H H 42.81 9.28 21.31 31.12 91.65 52.02 -63.25 -41.39 0.56 0.00 99.44 0.10 0.03 0.28 99.45 0.14 0.00 0.00 0.00 48 E H H 115.20 1.76 25.97 25.66 91.56 49.89 -64.17 -41.89 0.46 0.00 99.54 0.05 0.02 0.29 99.52 0.12 0.00 0.00 0.00 49 L H H 34.06 13.95 21.14 35.30 91.71 49.59 -64.69 -42.08 0.46 0.00 99.54 0.05 0.02 0.30 99.54 0.10 0.00 0.00 0.00 50 L H H 15.39 22.28 18.31 40.00 91.52 51.02 -63.02 -42.71 0.26 0.00 99.74 0.04 0.01 0.13 99.77 0.04 0.00 0.00 0.00 51 H H H 105.86 4.80 25.50 30.63 91.33 50.02 -63.63 -41.93 0.21 0.00 99.79 0.02 0.01 0.12 99.83 0.03 0.00 0.00 0.00 52 A H H 47.43 4.08 25.48 29.47 91.35 49.66 -63.64 -42.52 0.29 0.00 99.71 0.03 0.01 0.19 99.74 0.03 0.00 0.00 0.00 53 T H H 7.44 20.54 19.43 40.14 91.72 49.55 -64.09 -42.73 0.26 0.00 99.74 0.02 0.01 0.17 99.78 0.02 0.00 0.00 0.00 54 S H H 22.86 16.76 21.22 37.49 91.43 51.51 -62.62 -41.98 0.09 0.00 99.91 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 55 R H H 138.66 2.04 26.55 27.28 91.37 50.29 -63.85 -41.67 0.09 0.00 99.91 0.00 0.00 0.06 99.91 0.01 0.00 0.00 0.00 56 K H H 76.44 9.40 24.18 33.76 91.72 48.78 -64.84 -41.52 0.14 0.00 99.86 0.01 0.00 0.10 99.86 0.02 0.00 0.00 0.00 57 L H H 5.92 24.39 17.03 41.50 91.51 49.75 -63.75 -42.45 0.13 0.00 99.86 0.01 0.01 0.09 99.87 0.03 0.00 0.00 0.00 58 D H H 64.42 8.08 23.48 31.78 91.24 50.97 -63.14 -41.79 0.33 0.00 99.67 0.03 0.01 0.23 99.68 0.05 0.00 0.00 0.00 59 K H H 112.77 2.29 25.14 25.92 91.68 49.39 -64.60 -41.25 0.67 0.00 99.33 0.04 0.03 0.53 99.29 0.12 0.00 0.00 0.00 60 A H H 9.57 14.59 16.60 32.81 91.89 50.08 -64.48 -41.44 1.04 0.00 98.95 0.12 0.08 0.73 98.78 0.28 0.00 0.00 0.00 61 A H H 25.29 14.68 14.65 29.74 91.89 51.81 -63.66 -41.39 2.41 0.01 97.58 0.25 0.16 1.88 96.48 1.21 0.01 0.00 0.00 62 S H H 88.96 1.37 18.72 19.46 91.01 53.11 -65.64 -30.25 9.63 0.01 90.36 0.25 0.35 9.51 88.78 1.10 0.01 0.00 0.01 63 K C T 125.04 3.46 15.89 20.25 92.72 53.31 -85.61 -2.37 79.24 0.02 20.74 0.26 1.85 77.31 19.38 1.17 0.00 0.00 0.03 64 G C T 52.85 3.56 16.79 21.53 95.18 -110.85 79.16 12.31 99.73 0.01 0.26 0.44 4.04 95.37 0.10 0.05 0.00 0.00 0.00 65 V C S 48.51 12.19 16.20 29.22 95.31 120.88 -78.79 -31.33 99.87 0.11 0.02 3.35 95.75 0.82 0.01 0.01 0.00 0.03 0.04 66 I C S 13.90 21.41 11.65 32.88 131.25 23.27 -133.67 147.46 98.53 1.43 0.04 6.95 91.49 0.32 0.01 0.01 0.00 0.22 1.00 67 H C C 103.21 3.23 22.12 24.49 116.28 -106.75 -71.32 148.09 99.90 0.08 0.03 99.37 0.54 0.02 0.01 0.00 0.00 0.02 0.03 68 P H H 79.24 10.99 13.31 24.93 91.29 -114.94 -57.54 -37.88 16.15 0.03 83.83 1.31 1.35 13.15 75.29 8.86 0.02 0.01 0.02 69 N H H 118.00 1.14 21.02 20.21 91.71 53.40 -65.04 -37.90 12.69 0.02 87.29 0.91 0.90 10.38 78.99 8.78 0.02 0.01 0.01 70 Q H H 72.66 7.40 19.83 27.90 92.23 48.66 -67.17 -39.81 4.92 0.03 95.06 1.39 0.67 2.70 88.39 6.82 0.00 0.02 0.01 71 A H H 5.43 21.17 13.03 34.59 91.73 51.95 -63.17 -42.80 2.29 0.01 97.70 0.74 0.28 1.11 96.47 1.39 0.00 0.00 0.00 72 A H H 51.61 5.52 21.43 27.47 91.73 51.87 -63.46 -41.53 1.23 0.00 98.77 0.34 0.12 0.61 98.45 0.48 0.00 0.00 0.00 73 N H H 97.36 1.91 24.07 24.19 91.95 49.36 -64.61 -41.39 0.92 0.00 99.08 0.22 0.08 0.48 98.97 0.25 0.00 0.00 0.00 74 K H H 66.88 13.86 19.80 33.18 92.18 49.01 -65.78 -40.76 0.60 0.00 99.40 0.11 0.05 0.32 99.38 0.14 0.00 0.00 0.00 75 K H H 61.73 16.91 18.73 34.65 91.38 52.10 -62.16 -42.42 0.55 0.00 99.44 0.10 0.04 0.29 99.48 0.09 0.00 0.00 0.00 76 S H H 63.42 2.58 24.47 25.86 91.52 50.43 -63.74 -41.17 0.83 0.00 99.17 0.14 0.04 0.45 99.29 0.07 0.00 0.00 0.00 77 A H H 46.94 5.12 22.88 28.33 91.64 49.91 -64.20 -41.59 0.83 0.00 99.17 0.11 0.04 0.50 99.27 0.07 0.00 0.00 0.00 78 L H H 15.79 19.66 16.95 36.83 91.96 50.33 -64.19 -42.11 0.47 0.00 99.53 0.09 0.03 0.24 99.56 0.08 0.00 0.00 0.00 79 A H H 37.34 9.14 20.35 30.40 91.70 51.42 -62.81 -42.27 0.32 0.00 99.67 0.06 0.02 0.16 99.69 0.08 0.00 0.00 0.00 80 L H H 93.64 1.94 22.78 22.83 91.93 49.92 -64.12 -41.88 0.36 0.00 99.64 0.04 0.02 0.21 99.56 0.17 0.00 0.00 0.00 81 A H H 28.62 9.26 16.97 28.01 92.09 50.39 -64.87 -40.51 0.78 0.00 99.21 0.08 0.04 0.52 98.95 0.41 0.00 0.00 0.00 82 L H H 36.31 16.52 12.75 29.36 91.94 51.81 -64.80 -38.75 2.76 0.00 97.23 0.23 0.15 2.09 96.16 1.36 0.00 0.00 0.00 83 N H H 115.05 2.44 15.79 19.08 91.31 53.77 -67.46 -27.11 22.04 0.01 77.94 0.96 0.77 19.84 76.90 1.51 0.00 0.00 0.01 84 K C H 151.48 1.47 14.91 16.24 94.69 55.26 -77.15 -16.34 55.69 0.05 44.27 9.32 0.83 42.66 45.74 1.40 0.00 0.02 0.04 85 L C C 70.61 12.94 11.21 23.91 99.18 71.61 -76.14 -20.88 99.87 0.01 0.12 99.69 0.10 0.10 0.09 0.00 0.00 0.00 0.00