# 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 K C C 117.08 5.85 12.82 20.06 113.26 -140.53 -83.59 138.88 99.90 0.03 0.06 99.80 0.09 0.05 0.04 0.00 0.00 0.01 0.01 1 T C C 75.66 3.92 11.96 17.26 113.87 -128.32 -78.59 160.41 69.29 0.71 29.99 64.80 0.96 2.97 29.85 0.80 0.00 0.21 0.41 2 R H H 151.96 3.49 11.64 16.60 94.89 -103.91 -63.58 -38.29 12.72 0.08 87.20 6.12 2.26 4.26 86.04 1.25 0.00 0.03 0.04 3 K H H 117.59 4.85 13.63 19.78 92.83 52.57 -65.30 -39.77 6.16 0.04 93.80 2.43 0.96 2.72 92.55 1.31 0.00 0.01 0.02 4 E H H 99.12 4.50 15.00 20.48 92.30 49.97 -65.96 -39.81 3.87 0.03 96.09 1.60 0.54 1.69 94.92 1.23 0.00 0.01 0.01 5 S H H 51.26 3.98 16.42 21.29 92.45 50.93 -65.21 -40.67 3.98 0.03 95.99 1.49 0.48 1.85 95.34 0.83 0.00 0.01 0.01 6 Y H H 88.17 7.66 17.42 26.09 91.99 50.15 -64.90 -41.08 2.23 0.01 97.76 0.63 0.23 1.16 97.56 0.42 0.00 0.00 0.00 7 A H H 27.86 10.80 16.22 28.42 91.76 51.75 -63.45 -41.30 1.28 0.00 98.72 0.30 0.09 0.69 98.72 0.19 0.00 0.00 0.00 8 I H H 77.30 5.12 19.64 25.19 91.81 50.38 -64.23 -42.04 0.56 0.00 99.44 0.07 0.03 0.36 99.46 0.08 0.00 0.00 0.00 9 Y H H 108.24 4.58 20.60 25.27 91.76 50.04 -64.21 -42.64 0.20 0.00 99.80 0.02 0.01 0.12 99.82 0.03 0.00 0.00 0.00 10 V H H 36.30 12.31 17.97 31.10 91.85 49.46 -64.30 -42.69 0.09 0.00 99.91 0.01 0.00 0.06 99.92 0.02 0.00 0.00 0.00 11 Y H H 72.38 11.94 17.84 30.26 91.87 50.40 -63.98 -41.55 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 12 K H H 108.61 3.13 21.33 23.83 91.87 50.20 -64.52 -41.70 0.15 0.00 99.85 0.01 0.00 0.11 99.86 0.02 0.00 0.00 0.00 13 V H H 53.50 5.97 18.82 25.92 91.78 48.94 -64.42 -42.24 0.28 0.00 99.72 0.01 0.01 0.21 99.72 0.04 0.00 0.00 0.00 14 L H H 24.57 14.31 13.85 29.29 91.72 50.52 -64.26 -40.29 0.44 0.00 99.56 0.03 0.02 0.33 99.47 0.14 0.00 0.00 0.00 15 K H H 103.15 7.22 15.21 23.58 91.89 53.19 -64.93 -36.99 1.83 0.00 98.17 0.09 0.08 1.60 97.78 0.46 0.00 0.00 0.00 16 Q H H 130.45 1.33 17.10 17.43 93.28 50.02 -69.17 -36.80 4.58 0.00 95.42 0.13 0.20 4.20 95.06 0.41 0.01 0.00 0.00 17 V H H 81.30 5.15 14.45 20.66 98.51 37.40 -85.40 -33.89 8.50 0.02 91.48 0.34 1.08 6.87 91.45 0.22 0.02 0.00 0.02 18 H C C 67.40 9.22 10.01 20.74 111.72 23.95 -132.80 69.11 99.03 0.22 0.75 60.05 37.80 1.07 0.68 0.12 0.00 0.05 0.24 19 P C T 91.93 4.48 10.96 17.83 94.74 172.55 -63.09 -26.67 86.22 0.23 13.54 15.29 6.70 63.84 2.67 11.22 0.00 0.12 0.16 20 D C T 130.30 0.61 14.20 13.23 95.67 54.22 -83.42 1.11 82.79 0.20 17.01 6.94 9.51 65.75 4.28 13.24 0.00 0.10 0.16 21 T C S 60.55 8.51 10.78 20.58 99.60 85.77 -91.25 -2.59 82.75 0.58 16.68 27.82 33.78 21.68 5.93 9.98 0.00 0.20 0.59 22 G C C 43.42 3.76 16.45 21.04 101.60 -121.78 78.31 6.28 84.43 0.94 14.63 41.35 27.68 15.42 11.64 2.91 0.00 0.31 0.69 23 I C H 58.72 11.98 12.53 25.19 99.20 117.11 -83.33 -6.29 54.22 0.98 44.81 38.86 8.60 6.33 43.16 2.16 0.00 0.32 0.56 24 S H H 52.42 7.64 15.09 23.92 94.66 88.97 -66.91 -43.86 21.27 0.23 78.50 14.23 3.08 4.43 76.53 1.54 0.00 0.09 0.10 25 S H H 77.86 1.88 17.92 19.19 93.06 46.89 -66.71 -39.42 4.33 0.03 95.64 1.54 0.71 2.00 94.61 1.11 0.00 0.01 0.01 26 K H H 124.27 2.45 18.37 20.67 92.43 49.28 -66.96 -40.62 2.10 0.02 97.88 0.65 0.27 1.08 97.24 0.75 0.00 0.01 0.00 27 A H H 21.55 12.42 14.00 27.78 92.27 50.56 -64.81 -41.92 1.28 0.01 98.71 0.37 0.13 0.65 98.41 0.43 0.00 0.00 0.00 28 M H H 75.08 8.41 16.73 26.23 91.95 51.47 -63.70 -41.00 0.57 0.00 99.42 0.16 0.05 0.27 99.35 0.17 0.00 0.00 0.00 29 S H H 63.19 2.14 19.68 20.80 91.92 50.93 -64.69 -41.37 0.58 0.00 99.42 0.11 0.03 0.33 99.38 0.14 0.00 0.00 0.00 30 I H H 82.24 4.53 18.90 23.91 92.03 48.90 -65.17 -42.03 0.48 0.00 99.52 0.07 0.03 0.29 99.50 0.12 0.00 0.00 0.00 31 M H H 54.42 12.03 15.93 28.70 91.92 50.17 -64.39 -41.62 0.47 0.00 99.53 0.08 0.03 0.26 99.53 0.10 0.00 0.00 0.00 32 N H H 78.88 5.39 18.28 24.50 91.80 51.06 -63.87 -40.27 0.76 0.00 99.24 0.12 0.04 0.47 99.24 0.13 0.00 0.00 0.00 33 S H H 61.61 2.20 19.57 20.80 91.96 50.61 -65.03 -41.17 1.07 0.00 98.93 0.12 0.06 0.73 98.92 0.17 0.00 0.00 0.00 34 F H H 87.84 6.63 18.13 25.67 92.08 49.43 -65.11 -41.85 1.02 0.00 98.98 0.14 0.07 0.66 98.95 0.17 0.00 0.00 0.00 35 V H H 45.28 10.80 16.17 28.06 91.93 49.96 -64.27 -41.98 0.70 0.00 99.30 0.14 0.05 0.39 99.31 0.10 0.00 0.00 0.00 36 N H H 83.65 3.30 19.01 22.42 91.81 50.79 -64.15 -40.84 0.77 0.00 99.22 0.14 0.05 0.45 99.25 0.10 0.00 0.00 0.00 37 D H H 77.92 2.56 19.51 21.44 92.10 50.08 -65.23 -40.97 0.91 0.00 99.09 0.13 0.05 0.58 99.12 0.11 0.00 0.00 0.00 38 V H H 46.22 9.44 17.01 27.70 91.95 50.12 -64.52 -42.50 0.53 0.00 99.47 0.07 0.03 0.33 99.48 0.09 0.00 0.00 0.00 39 F H H 81.50 9.74 16.89 27.43 91.78 50.43 -63.83 -41.27 0.32 0.00 99.68 0.05 0.02 0.18 99.66 0.09 0.00 0.00 0.00 40 E H H 117.70 2.20 19.89 21.52 91.81 50.27 -64.69 -40.91 0.41 0.00 99.59 0.05 0.02 0.27 99.53 0.13 0.00 0.00 0.00 41 R H H 127.38 3.45 19.59 23.06 92.08 49.30 -65.36 -41.29 0.93 0.00 99.07 0.09 0.05 0.66 98.99 0.20 0.00 0.00 0.00 42 I H H 44.13 12.48 16.51 29.77 92.37 48.01 -65.68 -41.46 1.94 0.01 98.05 0.27 0.16 1.29 98.01 0.26 0.00 0.00 0.00 43 A H H 46.70 6.81 17.99 25.92 91.73 51.15 -63.38 -41.15 3.72 0.02 96.26 0.67 0.33 2.34 96.18 0.46 0.00 0.01 0.00 44 G H H 37.42 2.43 20.50 22.08 92.09 50.37 -64.06 -42.52 7.75 0.03 92.22 1.32 0.73 5.23 91.87 0.81 0.01 0.01 0.01 45 E H H 82.49 6.41 19.64 26.74 92.27 49.15 -65.86 -40.66 4.96 0.03 95.02 1.23 0.61 2.85 94.22 1.06 0.01 0.01 0.01 46 A H H 26.92 12.79 15.38 29.14 92.10 52.15 -63.88 -40.49 3.43 0.02 96.54 1.01 0.38 1.80 95.15 1.63 0.00 0.01 0.01 47 S H H 59.39 3.77 19.49 23.46 91.89 51.59 -64.48 -39.58 4.41 0.03 95.55 1.02 0.44 2.73 93.07 2.71 0.01 0.02 0.01 48 R H H 134.17 2.35 19.76 21.48 92.37 50.36 -65.96 -39.83 6.02 0.07 93.92 1.11 0.65 4.13 90.74 3.29 0.02 0.04 0.02 49 L H H 50.95 9.06 15.10 25.75 92.90 50.17 -67.06 -38.43 7.92 0.14 91.94 1.84 1.01 4.99 87.58 4.43 0.03 0.08 0.04 50 A H H 42.30 8.33 13.34 23.19 92.98 55.66 -66.11 -34.28 18.23 0.30 81.46 3.73 1.93 12.41 75.55 6.05 0.05 0.18 0.12 51 H H H 131.85 2.11 15.09 17.34 95.40 53.44 -73.94 -23.84 32.25 0.47 67.28 5.68 3.47 23.10 61.16 6.03 0.08 0.25 0.23 52 Y H H 144.91 3.36 12.45 16.96 100.13 55.85 -82.81 -21.41 44.29 1.03 54.68 11.85 9.54 24.58 47.83 5.05 0.14 0.45 0.57 53 N C T 88.87 5.67 10.52 17.65 105.66 47.91 -96.44 59.89 65.06 0.97 33.97 22.76 12.25 30.28 29.48 4.24 0.03 0.40 0.56 54 K C T 158.89 2.12 11.72 15.23 98.36 -138.29 -51.36 4.48 75.41 0.77 23.82 21.68 18.13 36.19 16.69 6.46 0.01 0.30 0.54 55 R C C 156.04 3.19 11.58 16.20 107.23 86.93 -91.74 72.79 79.08 1.20 19.71 32.59 19.27 27.93 10.86 8.03 0.01 0.52 0.79 56 S C C 70.45 5.78 11.40 18.69 108.44 90.46 -88.88 82.35 85.21 2.47 12.32 43.75 23.64 18.47 4.81 6.97 0.00 1.31 1.04 57 T C C 92.18 4.23 14.89 20.42 115.76 83.65 -101.52 130.73 83.05 9.42 7.53 54.66 17.71 11.03 3.31 4.21 0.01 6.65 2.42 58 I C C 42.05 16.29 9.94 25.94 119.19 -150.71 -104.51 132.69 87.04 11.61 1.35 73.25 12.97 0.75 1.14 0.42 0.00 6.79 4.69 59 T C C 65.74 3.41 20.34 23.36 122.72 -136.61 -87.24 162.74 93.65 5.40 0.95 92.83 1.24 0.26 0.80 0.13 0.00 3.41 1.33 60 S H H 57.58 11.23 12.95 24.76 91.67 -105.69 -59.10 -38.87 2.48 0.01 97.51 0.63 0.41 1.22 97.31 0.41 0.00 0.00 0.00 61 R H H 156.66 1.93 18.27 20.08 91.76 53.60 -64.07 -39.72 0.88 0.00 99.12 0.13 0.08 0.55 98.92 0.32 0.00 0.00 0.00 62 E H H 83.69 7.35 18.55 26.61 91.85 49.41 -66.06 -40.54 0.35 0.00 99.65 0.07 0.03 0.20 99.38 0.33 0.00 0.00 0.00 63 I H H 17.30 19.79 15.30 35.07 91.92 50.03 -64.14 -42.95 0.15 0.00 99.84 0.03 0.01 0.08 99.79 0.09 0.00 0.00 0.00 64 Q H H 68.01 11.38 19.90 31.41 91.27 50.86 -62.78 -41.60 0.21 0.00 99.79 0.02 0.01 0.13 99.77 0.07 0.00 0.00 0.00 65 T H H 64.33 3.60 23.10 26.20 91.77 49.62 -64.61 -41.86 0.41 0.00 99.59 0.04 0.02 0.30 99.54 0.11 0.00 0.00 0.00 66 A H H 19.83 12.88 19.52 33.37 91.81 50.85 -64.16 -41.97 0.65 0.00 99.35 0.06 0.03 0.49 99.11 0.32 0.00 0.00 0.00 67 V H H 14.49 20.30 17.29 37.35 91.89 50.16 -64.23 -41.14 0.93 0.00 99.06 0.07 0.05 0.73 97.88 1.27 0.00 0.00 0.00 68 R H H 116.49 8.91 19.92 29.21 91.25 53.72 -64.35 -34.81 2.91 0.01 97.08 0.16 0.14 2.50 94.43 2.75 0.00 0.00 0.00 69 L H H 95.98 5.25 20.70 26.11 92.25 53.93 -70.46 -29.92 11.33 0.01 88.66 0.30 0.42 10.82 86.39 2.05 0.01 0.00 0.01 70 L H H 54.21 13.58 17.11 30.63 96.65 43.28 -87.95 -23.94 23.44 0.07 76.49 1.16 2.56 19.72 75.23 1.22 0.05 0.02 0.05 71 L C S 35.79 17.11 11.87 28.72 114.98 61.34 -108.54 113.01 98.08 0.30 1.62 21.12 75.11 1.70 1.59 0.16 0.00 0.07 0.25 72 P C C 83.26 4.41 16.02 21.52 113.35 -131.98 -68.66 144.89 88.87 0.37 10.76 61.47 12.01 14.91 8.59 2.57 0.00 0.14 0.30 73 G H H 45.24 2.85 16.66 19.92 119.20 20.60 77.71 -153.61 43.73 0.49 55.78 11.49 15.88 17.82 47.86 6.37 0.07 0.17 0.34 74 E H H 130.07 2.92 16.66 20.08 94.05 -21.20 -66.66 -35.21 14.44 0.22 85.34 4.20 2.79 7.76 75.93 9.05 0.05 0.12 0.09 75 L H H 56.28 10.74 14.53 26.35 92.15 54.99 -64.77 -39.21 7.57 0.22 92.21 2.99 1.14 3.56 82.95 9.13 0.02 0.16 0.05 76 A H H 24.28 13.72 13.62 28.19 92.12 53.88 -64.30 -39.22 5.24 0.16 94.60 2.16 0.73 2.32 85.55 9.07 0.01 0.13 0.03 77 K H H 127.88 3.17 19.97 23.46 92.48 51.62 -66.37 -36.24 9.00 0.28 90.72 2.46 1.24 5.29 81.93 8.78 0.03 0.21 0.06 78 H H H 92.22 5.84 18.67 25.18 94.61 50.38 -73.26 -31.40 16.23 0.62 83.15 4.87 2.49 9.32 74.92 7.73 0.07 0.42 0.18 79 A H H 26.84 14.78 14.22 29.27 95.96 66.31 -65.64 -39.24 24.55 2.20 73.25 13.41 4.65 8.26 66.22 5.38 0.07 1.41 0.60 80 V H H 71.69 9.36 16.95 26.66 95.38 50.97 -70.93 -34.67 30.32 3.77 65.91 16.85 5.30 9.92 58.87 5.41 0.10 2.61 0.94 81 S H H 66.03 4.04 17.52 21.95 97.06 57.05 -75.41 -33.16 40.47 2.80 56.74 19.20 7.83 14.97 49.79 5.51 0.10 1.70 0.90 82 E C T 110.50 5.95 16.37 23.04 97.92 47.29 -75.06 -19.20 59.62 0.84 39.53 11.01 11.35 36.19 35.56 5.01 0.06 0.39 0.43 83 G C T 30.87 10.52 15.16 26.01 100.37 46.77 -53.62 -31.16 68.87 0.69 30.44 19.29 13.23 36.17 25.98 4.67 0.01 0.30 0.35 84 T C H 61.12 9.83 15.24 25.66 96.89 61.88 -71.64 -31.63 50.26 1.89 47.85 34.59 8.20 7.63 43.30 4.65 0.01 1.03 0.59 85 K H H 116.84 4.37 18.79 23.67 95.17 61.93 -67.74 -36.93 36.28 3.81 59.90 25.32 6.01 6.52 53.74 4.94 0.03 2.65 0.79 86 A H H 38.99 8.97 15.78 26.06 93.99 57.45 -66.46 -38.93 25.95 4.66 69.39 19.20 3.97 4.67 62.39 5.22 0.02 3.87 0.66 87 V H H 54.38 11.27 15.08 26.92 93.99 53.04 -66.97 -38.61 20.11 5.04 74.85 15.01 3.11 3.86 67.99 4.93 0.03 4.50 0.58 88 T H H 70.50 5.54 16.24 22.73 94.53 54.30 -70.05 -38.12 21.06 4.23 74.71 15.27 3.15 4.39 68.11 4.80 0.03 3.71 0.54 89 K H H 122.14 3.36 16.25 20.18 95.89 52.95 -70.35 -34.59 24.12 2.83 73.05 15.34 4.09 6.40 66.84 4.61 0.04 2.17 0.51 90 Y H H 106.39 8.17 12.09 21.33 98.64 53.81 -77.16 -29.24 28.23 2.09 69.68 16.85 5.03 8.03 64.14 4.04 0.04 1.34 0.53 91 T H H 77.32 5.92 11.62 18.93 100.03 59.06 -77.71 -25.22 35.14 1.39 63.47 19.61 5.98 10.45 59.51 3.22 0.03 0.75 0.46 92 S H H 80.96 2.47 11.19 14.79 98.95 59.48 -79.41 -12.84 48.56 1.14 50.30 23.06 8.36 17.46 46.86 3.21 0.03 0.52 0.49 93 A C C 76.41 3.50 8.82 14.13 102.20 76.27 -82.07 8.21 70.45 0.67 28.88 48.04 2.63 18.46 28.15 2.06 0.00 0.30 0.36 94 K C C 147.41 2.94 11.60 16.12 106.07 116.00 -83.32 65.92 99.88 0.03 0.09 99.68 0.10 0.15 0.06 0.00 0.00 0.01 0.00