# 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 97.23 3.54 14.44 19.09 109.32 -101.37 -69.48 133.56 99.96 0.02 0.02 99.73 0.17 0.08 0.00 0.00 0.00 0.01 0.01 1 H C C 114.41 7.72 9.69 18.71 114.59 -138.14 -91.41 130.60 96.08 1.65 2.26 91.96 1.58 2.98 0.67 1.11 0.00 0.77 0.93 2 R C C 163.02 2.83 12.68 16.95 108.20 -159.56 -95.17 76.42 94.48 2.44 3.09 66.59 19.57 8.01 0.61 2.64 0.00 1.25 1.33 3 Y C C 98.35 11.91 8.78 20.81 119.07 58.17 -101.04 134.03 94.38 3.49 2.13 70.84 19.29 3.42 0.67 1.44 0.00 1.24 3.10 4 R C C 140.99 3.79 13.77 19.16 118.16 -145.32 -95.66 140.18 99.03 0.52 0.45 85.57 12.50 0.90 0.22 0.17 0.00 0.16 0.47 5 P C T 100.26 4.35 12.21 18.23 109.95 -101.25 -61.06 138.85 94.69 0.17 5.14 5.61 5.96 83.48 2.63 2.09 0.00 0.07 0.15 6 G C T 54.92 2.56 14.64 17.94 97.72 21.94 85.46 -3.08 93.41 0.16 6.43 6.63 6.93 80.17 3.59 2.49 0.00 0.08 0.12 7 T C C 42.70 9.47 11.19 22.43 115.03 120.86 -83.98 143.40 74.64 2.47 22.89 56.62 14.72 2.63 21.96 1.53 0.00 0.61 1.93 8 V H H 84.68 4.16 16.93 21.99 94.23 -141.06 -63.51 -38.83 4.29 0.04 95.67 1.63 0.79 1.87 94.94 0.72 0.00 0.01 0.01 9 A H H 33.35 10.39 15.99 27.60 92.11 52.65 -64.33 -41.15 2.17 0.02 97.81 0.67 0.26 1.17 97.12 0.76 0.00 0.01 0.01 10 L H H 44.88 11.03 15.72 28.03 91.83 49.75 -64.98 -40.81 0.83 0.01 99.16 0.26 0.09 0.41 98.71 0.53 0.00 0.00 0.00 11 R H H 114.28 3.79 19.35 23.49 91.82 51.46 -64.17 -41.23 0.42 0.00 99.57 0.11 0.04 0.20 99.48 0.17 0.00 0.00 0.00 12 E H H 83.40 5.38 19.39 25.48 91.71 50.24 -64.69 -41.31 0.54 0.00 99.45 0.10 0.04 0.31 99.43 0.12 0.00 0.00 0.00 13 I H H 35.52 13.78 16.06 30.66 92.12 50.20 -64.74 -42.07 0.60 0.00 99.39 0.11 0.04 0.35 99.37 0.13 0.00 0.00 0.00 14 R H H 113.98 5.73 18.87 25.43 91.73 51.58 -63.62 -40.92 0.77 0.00 99.22 0.13 0.06 0.45 99.09 0.26 0.00 0.00 0.00 15 R H H 128.09 2.61 19.62 21.83 92.11 50.22 -64.94 -41.08 2.11 0.01 97.88 0.27 0.15 1.47 97.54 0.55 0.00 0.00 0.00 16 Y H H 69.76 10.60 15.61 27.33 92.53 49.37 -66.53 -39.47 4.54 0.02 95.44 0.77 0.48 2.99 94.91 0.83 0.01 0.01 0.01 17 Q H H 71.20 11.74 14.97 27.08 92.46 53.71 -65.20 -38.07 10.22 0.06 89.72 2.34 1.20 6.28 88.28 1.82 0.02 0.03 0.03 18 K H H 141.61 1.82 18.44 19.72 92.84 51.45 -69.53 -33.98 24.68 0.11 75.21 2.80 2.56 18.88 73.23 2.40 0.04 0.04 0.06 19 S H H 54.78 4.89 16.61 22.29 99.94 45.51 -88.09 -16.42 49.75 0.27 49.99 15.99 5.91 27.54 47.46 2.83 0.01 0.09 0.17 20 T H H 33.46 15.89 13.06 28.59 95.39 75.04 -66.84 -38.28 16.63 0.14 83.23 8.80 3.37 4.96 80.47 2.28 0.00 0.06 0.06 21 E H H 106.23 6.26 17.49 24.75 93.10 60.53 -63.53 -39.22 6.34 0.05 93.60 1.74 0.94 3.65 90.51 3.09 0.01 0.03 0.02 22 L H H 77.93 3.66 18.78 22.74 92.52 51.42 -65.46 -40.86 4.10 0.06 95.84 1.10 0.56 2.49 92.05 3.73 0.01 0.04 0.01 23 L H H 36.51 12.51 16.01 29.57 92.63 50.94 -65.29 -41.61 2.82 0.04 97.14 0.73 0.36 1.67 93.04 4.17 0.01 0.03 0.01 24 I H H 31.64 17.17 14.64 31.62 92.63 50.76 -65.86 -38.94 4.29 0.03 95.68 0.54 0.37 3.11 87.86 8.09 0.01 0.02 0.01 25 R H H 142.53 4.40 18.70 24.09 92.41 54.23 -67.58 -29.47 20.59 0.03 79.38 0.71 0.85 19.04 72.78 6.56 0.03 0.02 0.02 26 K H H 121.59 4.49 18.50 23.56 95.79 49.82 -88.33 -10.51 45.65 0.06 54.29 1.77 2.68 40.79 48.91 5.73 0.03 0.03 0.06 27 L C C 27.74 18.53 12.01 30.05 109.99 99.83 -79.32 119.50 74.35 0.28 25.37 37.64 30.76 4.04 26.00 1.28 0.00 0.06 0.23 28 P H H 62.03 6.33 20.71 27.90 93.61 -144.93 -63.48 -34.40 24.04 0.10 75.86 7.97 2.72 13.04 73.45 2.71 0.01 0.04 0.06 29 F H H 38.56 17.72 17.43 34.58 92.80 55.15 -66.17 -37.56 9.87 0.05 90.08 2.64 1.02 5.99 87.88 2.42 0.01 0.02 0.03 30 Q H H 57.32 14.24 18.59 32.53 91.95 55.24 -63.30 -40.49 1.50 0.01 98.49 0.56 0.16 0.67 97.48 1.12 0.00 0.00 0.00 31 R H H 120.97 3.87 23.10 26.74 91.79 50.92 -64.92 -40.93 0.73 0.00 99.26 0.20 0.06 0.38 98.86 0.49 0.00 0.00 0.00 32 L H H 41.01 11.08 20.59 32.44 91.96 50.56 -64.63 -42.49 0.53 0.00 99.47 0.12 0.04 0.29 99.29 0.26 0.00 0.00 0.00 33 V H H 11.88 20.31 17.32 37.56 91.75 50.12 -63.93 -42.56 0.36 0.00 99.64 0.07 0.02 0.20 99.59 0.12 0.00 0.00 0.00 34 R H H 106.72 8.47 21.02 29.91 91.52 51.27 -63.26 -41.33 0.45 0.00 99.55 0.06 0.03 0.28 99.48 0.15 0.00 0.00 0.00 35 E H H 94.70 3.09 22.77 25.05 91.65 49.70 -64.72 -41.62 1.00 0.00 99.00 0.12 0.06 0.69 98.88 0.25 0.00 0.00 0.00 36 I H H 28.02 13.04 18.03 32.21 92.28 49.31 -65.07 -41.90 1.76 0.01 98.23 0.24 0.14 1.17 97.89 0.55 0.00 0.00 0.00 37 A H H 14.47 15.81 13.81 30.47 91.74 52.14 -64.71 -38.77 4.49 0.02 95.49 0.67 0.36 3.11 93.65 2.19 0.01 0.01 0.00 38 Q H H 114.92 2.86 17.86 21.14 92.38 53.04 -66.10 -36.42 17.13 0.03 82.83 1.06 0.97 14.94 78.66 4.32 0.02 0.01 0.02 39 D H H 97.18 2.79 16.63 19.70 94.06 51.02 -76.36 -24.47 30.24 0.08 69.68 2.23 2.29 25.54 65.99 3.84 0.03 0.03 0.05 40 F C H 70.14 12.57 10.59 23.42 102.49 55.41 -93.37 9.97 61.37 0.77 37.86 27.79 13.52 20.72 33.55 3.61 0.02 0.25 0.54 41 K C C 139.21 3.72 13.52 18.71 102.05 -137.06 -66.51 48.70 83.77 0.79 15.43 54.66 9.79 18.81 11.97 3.88 0.00 0.36 0.53 42 T C C 85.99 4.99 11.18 17.66 106.14 91.22 -92.51 -0.20 81.16 0.78 18.06 40.27 21.90 19.19 11.25 6.53 0.00 0.31 0.54 43 D C C 102.91 3.60 13.21 17.65 104.31 61.36 -84.41 16.48 76.10 0.85 23.05 43.54 17.67 14.91 13.44 9.52 0.00 0.35 0.57 44 L C C 87.40 8.83 11.36 21.07 102.70 83.53 -77.73 17.20 65.01 1.39 33.60 39.15 12.99 12.47 18.72 15.29 0.01 0.68 0.70 45 R C C 140.20 4.83 16.27 22.16 102.70 99.19 -80.58 25.45 61.74 3.23 35.03 40.89 9.92 10.47 21.66 13.97 0.01 1.86 1.22 46 F C C 63.41 15.57 11.93 26.98 106.75 85.48 -87.75 77.08 59.73 3.71 36.56 44.49 8.33 6.81 27.26 9.65 0.01 2.02 1.44 47 Q C H 89.33 6.71 17.65 25.01 110.89 135.83 -83.30 143.60 52.71 1.10 46.18 42.29 5.69 4.10 44.74 2.28 0.00 0.48 0.42 48 S H H 65.23 6.90 15.83 23.63 94.55 -107.93 -62.78 -37.72 11.64 0.09 88.27 5.48 2.31 3.90 87.01 1.22 0.00 0.04 0.04 49 S H H 65.99 3.02 19.81 22.50 92.82 51.81 -66.31 -39.08 4.34 0.03 95.62 1.70 0.62 1.92 94.92 0.82 0.00 0.01 0.01 50 A H H 19.29 12.83 16.45 30.51 92.27 51.05 -65.13 -41.74 1.40 0.01 98.59 0.59 0.17 0.60 98.16 0.47 0.00 0.01 0.00 51 V H H 27.32 15.97 17.11 33.25 91.95 49.92 -64.10 -42.37 0.59 0.01 99.40 0.23 0.06 0.26 99.26 0.19 0.00 0.00 0.00 52 M H H 91.89 4.25 22.51 26.72 91.61 50.15 -63.96 -41.58 0.39 0.00 99.61 0.13 0.04 0.18 99.56 0.09 0.00 0.00 0.00 53 A H H 43.92 5.58 21.60 27.78 91.67 50.79 -64.02 -41.85 0.34 0.00 99.66 0.08 0.03 0.17 99.65 0.07 0.00 0.00 0.00 54 L H H 29.06 16.63 18.35 34.97 92.17 50.07 -64.76 -41.71 0.23 0.00 99.77 0.05 0.02 0.12 99.77 0.04 0.00 0.00 0.00 55 Q H H 69.80 12.58 20.50 32.73 91.81 50.87 -63.21 -41.54 0.20 0.00 99.80 0.04 0.01 0.11 99.81 0.03 0.00 0.00 0.00 56 E H H 109.87 2.82 23.90 26.00 91.74 49.56 -64.80 -41.38 0.24 0.00 99.76 0.03 0.01 0.14 99.78 0.03 0.00 0.00 0.00 57 A H H 36.95 7.83 21.03 29.87 91.90 49.80 -65.04 -41.62 0.32 0.00 99.68 0.04 0.01 0.19 99.71 0.04 0.00 0.00 0.00 58 S H H 17.36 16.78 18.05 34.97 91.72 50.90 -64.28 -41.48 0.44 0.00 99.56 0.06 0.02 0.25 99.61 0.06 0.00 0.00 0.00 59 E H H 87.10 9.09 21.42 30.69 91.91 51.28 -63.84 -40.75 0.30 0.00 99.70 0.03 0.01 0.18 99.72 0.05 0.00 0.00 0.00 60 A H H 56.72 3.68 22.66 25.98 91.70 51.05 -64.79 -40.92 0.23 0.00 99.77 0.02 0.01 0.14 99.77 0.05 0.00 0.00 0.00 61 Y H H 83.47 11.12 20.95 32.13 92.20 49.66 -65.23 -41.66 0.26 0.00 99.74 0.03 0.01 0.16 99.73 0.07 0.00 0.00 0.00 62 L H H 32.51 17.25 18.91 35.75 92.05 49.72 -64.57 -42.05 0.36 0.00 99.64 0.04 0.02 0.23 99.61 0.10 0.00 0.00 0.00 63 V H H 65.19 7.03 21.75 29.24 91.88 50.61 -64.03 -41.83 0.66 0.00 99.34 0.07 0.04 0.46 99.22 0.22 0.00 0.00 0.00 64 G H H 28.95 5.39 21.53 27.57 91.95 51.14 -64.37 -41.24 3.06 0.00 96.94 0.25 0.16 2.41 96.39 0.77 0.00 0.00 0.00 65 L H H 33.58 15.38 18.84 34.22 92.34 50.32 -65.92 -41.47 6.65 0.02 93.33 0.56 0.45 5.34 92.27 1.35 0.01 0.01 0.01 66 F H H 57.19 15.15 18.56 33.35 92.69 50.91 -66.51 -39.49 11.13 0.12 88.75 2.82 1.69 6.73 86.41 2.20 0.03 0.05 0.06 67 E H H 111.76 4.04 22.42 26.54 92.80 52.34 -66.32 -38.23 21.15 0.28 78.58 5.60 3.04 12.47 76.35 2.24 0.04 0.13 0.13 68 D H H 65.77 8.67 20.84 29.69 95.63 48.54 -75.87 -30.65 32.80 0.30 66.90 10.90 4.32 17.25 64.78 2.45 0.02 0.13 0.15 69 T H H 24.09 18.95 17.24 35.28 94.14 57.31 -68.17 -38.07 25.23 0.38 74.39 11.00 4.33 10.20 71.61 2.49 0.03 0.18 0.16 70 N H H 75.86 9.35 22.31 31.59 93.02 57.73 -64.01 -39.35 18.02 0.33 81.65 7.86 2.48 7.98 79.03 2.33 0.02 0.18 0.12 71 L H H 70.76 6.17 23.44 29.70 92.20 51.18 -65.39 -41.63 7.62 0.31 92.07 3.13 1.30 3.65 88.76 2.85 0.03 0.20 0.08 72 A H H 14.76 14.66 18.58 34.11 92.21 50.76 -64.83 -41.73 4.72 0.41 94.87 1.82 0.76 2.45 91.07 3.46 0.04 0.33 0.07 73 A H H 18.20 13.62 17.10 31.86 92.27 51.88 -64.52 -41.15 5.50 0.52 93.98 1.96 0.83 2.98 89.87 3.78 0.04 0.46 0.08 74 I H H 87.26 4.89 20.19 25.19 92.60 49.56 -66.01 -40.72 8.27 0.61 91.12 2.22 1.18 5.18 87.83 2.90 0.08 0.49 0.12 75 H H H 101.41 6.16 18.23 25.02 92.81 49.23 -69.88 -32.00 17.68 0.65 81.67 3.77 2.53 11.95 78.89 2.14 0.13 0.38 0.22 76 A C H 31.32 13.60 12.49 26.51 96.38 53.34 -81.09 -10.22 55.64 0.89 43.47 12.40 7.80 34.24 42.37 2.32 0.05 0.39 0.43 77 K C T 159.80 2.15 17.94 20.52 95.71 -125.04 56.11 30.08 79.80 0.49 19.71 13.35 11.82 53.48 18.04 2.80 0.01 0.22 0.29 78 R C T 111.36 8.19 14.34 23.56 125.88 99.55 -115.44 148.90 89.17 1.18 9.65 30.71 25.82 32.89 6.85 2.59 0.00 0.54 0.59 79 V C C 92.91 7.79 14.94 23.70 99.34 -143.77 -89.33 -9.48 92.28 3.90 3.82 48.85 35.39 8.44 2.03 1.68 0.00 2.25 1.36 80 T C C 74.05 4.79 20.70 26.03 127.76 59.68 -120.77 145.11 91.17 6.57 2.26 60.58 26.16 4.84 0.89 1.32 0.00 4.45 1.76 81 I C C 33.29 20.95 11.57 31.77 111.46 -126.67 -88.35 121.72 91.68 6.79 1.52 75.38 14.68 1.33 0.81 0.75 0.00 3.16 3.89 82 M C C 74.66 6.66 19.86 27.16 124.44 -165.40 -102.40 156.77 99.04 0.36 0.60 95.02 3.93 0.09 0.66 0.03 0.00 0.11 0.16 83 P H H 82.46 6.50 16.29 24.06 90.83 -108.12 -57.60 -38.15 2.41 0.00 97.59 0.28 0.22 1.63 97.19 0.68 0.00 0.00 0.00 84 K H H 119.73 3.64 20.50 24.57 91.47 54.65 -64.08 -38.52 1.00 0.00 99.00 0.10 0.06 0.69 98.57 0.58 0.00 0.00 0.00 85 D H H 15.79 18.60 16.42 35.12 91.96 50.75 -65.29 -41.23 0.27 0.00 99.73 0.05 0.02 0.14 99.37 0.42 0.00 0.00 0.00 86 I H H 23.66 17.55 18.36 35.87 91.57 50.93 -64.12 -41.87 0.09 0.00 99.91 0.01 0.00 0.04 99.86 0.08 0.00 0.00 0.00 87 Q H H 92.17 3.71 24.90 28.21 91.35 50.76 -63.17 -42.21 0.10 0.00 99.90 0.01 0.00 0.06 99.89 0.04 0.00 0.00 0.00 88 L H H 33.51 10.57 21.81 33.58 91.62 50.19 -63.90 -42.51 0.13 0.00 99.87 0.01 0.00 0.08 99.86 0.04 0.00 0.00 0.00 89 A H H 5.00 20.92 16.97 38.55 91.38 51.28 -62.62 -42.87 0.24 0.00 99.76 0.02 0.01 0.15 99.73 0.09 0.00 0.00 0.00 90 R H H 87.70 9.34 20.36 30.25 91.54 51.08 -63.41 -40.97 0.80 0.00 99.20 0.10 0.05 0.53 99.02 0.30 0.00 0.00 0.00 91 R H H 131.21 3.26 20.91 24.18 91.96 50.68 -64.99 -40.60 1.90 0.01 98.09 0.21 0.11 1.38 97.67 0.62 0.00 0.00 0.00 92 I H H 46.37 13.95 16.09 30.34 92.65 49.76 -67.44 -37.80 6.09 0.03 93.88 0.44 0.45 4.97 93.43 0.68 0.01 0.01 0.01 93 R H H 90.66 11.68 14.86 26.86 95.48 46.04 -84.36 -8.71 39.51 0.18 60.31 2.09 3.52 32.83 60.00 1.34 0.06 0.06 0.12 94 G C T 50.91 3.68 15.07 19.84 100.16 -102.21 77.84 9.84 78.19 0.37 21.44 11.45 9.04 56.89 18.64 3.59 0.00 0.15 0.24 95 E C C 109.91 5.60 11.24 18.49 107.53 119.28 -84.66 82.60 78.54 1.16 20.30 43.43 15.40 19.82 12.32 7.82 0.00 0.51 0.70 96 R C C 155.50 4.10 11.13 17.05 109.48 80.36 -89.56 111.70 84.92 1.12 13.96 70.27 2.92 13.07 8.32 4.15 0.00 0.57 0.69 97 A C C 68.60 6.68 12.27 20.30 110.45 -136.44 -87.92 131.04 99.90 0.04 0.06 99.79 0.08 0.07 0.02 0.00 0.00 0.02 0.01