# 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 98.31 3.31 14.38 18.75 109.49 -100.87 -69.35 132.70 99.97 0.02 0.01 99.76 0.15 0.07 0.00 0.00 0.00 0.01 0.00 1 H C C 115.72 7.49 9.48 18.33 114.33 -133.06 -91.21 129.93 96.28 1.65 2.07 92.36 1.51 2.83 0.61 1.00 0.00 0.76 0.92 2 R C C 163.46 2.74 12.39 16.59 108.97 -160.00 -96.22 88.13 94.70 2.48 2.83 68.26 18.50 7.63 0.56 2.42 0.00 1.28 1.35 3 Y C C 102.42 11.26 8.68 20.23 118.81 -128.17 -100.38 134.01 94.70 3.41 1.89 71.80 18.91 3.19 0.59 1.28 0.00 1.20 3.03 4 R C C 142.26 3.60 13.48 18.69 118.48 -144.41 -96.12 141.13 99.13 0.47 0.40 85.69 12.54 0.84 0.20 0.15 0.00 0.15 0.43 5 P C T 101.15 4.10 12.03 17.84 109.94 -100.39 -60.85 138.86 95.10 0.16 4.74 5.10 5.72 84.67 2.35 1.96 0.00 0.07 0.14 6 G C T 55.10 2.44 14.38 17.59 97.47 21.91 85.37 -2.87 93.89 0.15 5.97 6.28 6.58 81.39 3.23 2.35 0.00 0.07 0.10 7 T C C 43.84 9.00 11.02 21.87 114.36 123.35 -83.21 144.80 74.45 2.46 23.09 56.26 14.96 2.60 22.17 1.50 0.00 0.59 1.91 8 V H H 86.40 3.87 16.44 21.19 94.25 -138.44 -63.93 -38.86 4.34 0.04 95.63 1.64 0.80 1.89 94.95 0.70 0.00 0.02 0.01 9 A H H 36.71 9.07 15.63 26.12 92.15 52.37 -64.35 -41.20 2.14 0.02 97.84 0.67 0.25 1.15 97.19 0.73 0.00 0.01 0.00 10 L H H 48.53 10.02 15.32 26.81 91.87 49.78 -65.04 -40.78 0.77 0.01 99.22 0.24 0.08 0.38 98.80 0.50 0.00 0.00 0.00 11 R H H 115.25 3.66 18.72 22.78 91.89 51.45 -64.19 -41.24 0.38 0.00 99.61 0.10 0.03 0.18 99.54 0.15 0.00 0.00 0.00 12 E H H 86.49 4.80 18.92 24.42 91.71 50.20 -64.67 -41.25 0.49 0.00 99.51 0.09 0.03 0.27 99.51 0.10 0.00 0.00 0.00 13 I H H 41.26 12.21 15.88 29.14 92.19 50.12 -64.76 -41.99 0.55 0.00 99.45 0.09 0.04 0.31 99.46 0.10 0.00 0.00 0.00 14 R H H 115.93 5.17 18.43 24.46 91.76 51.37 -63.87 -40.92 0.64 0.00 99.36 0.11 0.05 0.36 99.30 0.18 0.00 0.00 0.00 15 R H H 127.71 2.58 19.13 21.35 92.11 50.23 -64.92 -41.23 1.59 0.01 98.41 0.21 0.11 1.06 98.20 0.41 0.00 0.00 0.00 16 Y H H 75.17 9.74 15.48 26.46 92.44 49.54 -66.14 -39.95 3.35 0.01 96.63 0.56 0.33 2.17 96.29 0.64 0.01 0.01 0.01 17 Q H H 73.75 10.83 14.95 26.37 92.40 52.95 -65.21 -38.20 8.11 0.04 91.85 1.61 0.86 5.18 90.88 1.41 0.01 0.02 0.02 18 K H H 140.59 1.83 18.17 19.48 92.75 51.24 -69.36 -33.64 22.51 0.08 77.41 2.15 2.10 17.68 75.98 1.99 0.03 0.03 0.04 19 S H H 55.41 4.69 16.36 21.84 99.89 45.52 -88.21 -17.97 49.83 0.23 49.94 14.48 5.76 29.01 47.95 2.56 0.01 0.08 0.15 20 T H H 35.63 14.94 12.94 27.76 95.20 75.64 -66.37 -38.55 16.32 0.13 83.54 8.64 3.26 4.83 81.00 2.15 0.00 0.05 0.06 21 E H H 107.61 5.81 17.18 24.02 93.26 59.09 -63.64 -39.18 6.01 0.05 93.94 1.59 0.87 3.49 91.06 2.94 0.01 0.02 0.01 22 L H H 79.89 3.42 18.36 22.02 92.63 51.39 -65.51 -40.82 3.84 0.05 96.11 1.00 0.51 2.36 92.55 3.54 0.01 0.03 0.01 23 L H H 40.43 11.57 15.68 28.45 92.55 50.78 -65.33 -41.43 2.64 0.03 97.33 0.66 0.33 1.57 93.51 3.89 0.00 0.02 0.01 24 I H H 35.49 16.16 14.27 30.41 92.72 50.74 -65.98 -38.65 4.18 0.03 95.80 0.50 0.34 3.06 88.58 7.49 0.01 0.02 0.00 25 R H H 145.25 3.96 18.29 23.21 92.49 54.16 -67.75 -29.43 19.97 0.03 80.01 0.65 0.79 18.65 73.88 5.98 0.03 0.01 0.02 26 K H H 123.88 4.11 18.02 22.65 95.96 49.85 -88.40 -11.84 43.45 0.06 56.50 1.56 2.51 39.06 51.50 5.26 0.03 0.02 0.05 27 L C C 30.94 17.57 11.73 28.94 109.67 97.95 -80.20 110.59 73.53 0.26 26.21 36.31 30.93 4.23 26.98 1.29 0.00 0.05 0.21 28 P H H 64.42 5.77 20.24 26.79 93.76 -146.34 -63.31 -34.74 23.99 0.10 75.91 8.67 2.64 12.32 73.57 2.69 0.01 0.04 0.06 29 F H H 44.47 16.44 17.02 33.14 93.04 54.88 -66.37 -37.67 9.45 0.04 90.50 2.64 0.99 5.61 88.29 2.42 0.01 0.02 0.02 30 Q H H 59.93 13.48 18.10 31.50 91.94 54.97 -63.31 -40.56 1.48 0.01 98.51 0.56 0.16 0.66 97.48 1.13 0.00 0.00 0.00 31 R H H 122.81 3.61 22.40 25.74 91.83 50.89 -64.81 -40.85 0.75 0.00 99.25 0.20 0.07 0.39 98.83 0.51 0.00 0.00 0.00 32 L H H 46.59 9.95 20.17 30.98 91.99 50.61 -64.55 -42.46 0.56 0.00 99.43 0.12 0.04 0.31 99.25 0.28 0.00 0.00 0.00 33 V H H 14.95 19.03 16.98 36.06 91.92 50.31 -64.00 -42.53 0.38 0.00 99.62 0.07 0.02 0.20 99.57 0.13 0.00 0.00 0.00 34 R H H 108.84 7.95 20.47 28.98 91.53 51.38 -63.16 -41.23 0.46 0.00 99.54 0.07 0.03 0.28 99.47 0.16 0.00 0.00 0.00 35 E H H 95.83 2.95 22.15 24.27 91.68 49.80 -64.60 -41.64 0.97 0.00 99.03 0.11 0.06 0.66 98.90 0.26 0.00 0.00 0.00 36 I H H 33.09 12.00 17.75 30.98 92.27 49.41 -65.07 -41.66 1.78 0.01 98.21 0.24 0.14 1.17 97.85 0.59 0.00 0.00 0.00 37 A H H 15.94 14.97 13.54 29.50 91.82 52.42 -64.65 -38.50 4.65 0.02 95.33 0.71 0.37 3.20 93.37 2.34 0.00 0.00 0.00 38 Q H H 115.32 2.72 17.38 20.52 92.39 53.25 -65.91 -36.78 17.33 0.03 82.64 1.07 0.97 15.11 78.17 4.63 0.02 0.01 0.02 39 D H H 98.41 2.61 16.21 19.04 94.23 51.55 -75.07 -26.14 30.34 0.07 69.59 2.18 2.27 25.69 65.70 4.06 0.03 0.02 0.05 40 F C H 75.38 11.63 10.48 22.59 101.98 54.90 -93.25 10.20 61.36 0.76 37.88 27.39 13.74 21.00 33.33 3.74 0.02 0.24 0.54 41 K C C 142.09 3.43 13.36 18.25 101.90 -164.89 -62.75 41.91 85.70 0.79 13.51 58.68 9.48 17.01 10.54 3.40 0.00 0.35 0.53 42 T C C 85.16 4.99 10.92 17.40 106.44 107.88 -93.68 1.61 82.30 0.79 16.91 43.82 21.53 17.04 10.70 6.05 0.00 0.32 0.55 43 D C C 103.15 3.57 12.75 17.20 103.16 58.59 -83.71 6.83 74.55 0.85 24.60 41.62 17.83 15.10 14.35 10.18 0.00 0.35 0.57 44 L C C 91.59 7.60 11.28 20.04 101.67 100.57 -76.22 6.93 60.40 1.39 38.21 34.89 12.02 12.98 21.22 17.53 0.01 0.69 0.67 45 R C C 140.92 4.63 15.54 21.22 101.64 81.37 -79.07 -0.44 55.64 3.21 41.16 35.57 9.13 10.53 25.36 16.37 0.02 1.88 1.13 46 F C C 68.53 14.20 11.74 25.75 105.30 81.88 -86.67 43.55 54.76 3.64 41.60 39.55 8.24 7.07 30.39 11.38 0.01 2.03 1.32 47 Q C H 91.46 6.35 16.98 24.09 109.01 118.98 -81.57 136.89 53.19 1.24 45.57 42.55 5.67 4.49 43.49 2.76 0.00 0.57 0.46 48 S H H 64.77 6.56 15.40 22.92 94.87 -110.03 -64.57 -38.29 14.05 0.12 85.82 7.12 2.95 4.13 84.44 1.26 0.00 0.05 0.05 49 S H H 67.87 2.79 19.01 21.46 93.08 51.96 -66.59 -38.66 5.14 0.04 94.82 2.02 0.78 2.22 94.09 0.85 0.00 0.02 0.01 50 A H H 24.19 11.17 16.29 28.88 92.34 51.25 -65.32 -41.54 1.81 0.02 98.17 0.76 0.22 0.77 97.70 0.53 0.00 0.01 0.00 51 V H H 29.61 14.97 16.49 31.86 92.03 49.97 -64.26 -42.28 0.72 0.01 99.27 0.28 0.08 0.31 99.10 0.22 0.00 0.00 0.00 52 M H H 92.66 4.15 21.59 25.77 91.68 50.24 -64.11 -41.52 0.43 0.00 99.56 0.15 0.04 0.19 99.50 0.11 0.00 0.00 0.00 53 A H H 46.61 4.82 20.93 26.24 91.70 50.76 -63.98 -41.72 0.37 0.00 99.63 0.10 0.03 0.19 99.61 0.08 0.00 0.00 0.00 54 L H H 35.73 14.72 17.93 32.94 92.25 50.19 -64.70 -41.59 0.26 0.00 99.74 0.06 0.02 0.14 99.74 0.05 0.00 0.00 0.00 55 Q H H 72.08 11.68 19.78 31.38 91.88 50.84 -63.52 -41.42 0.24 0.00 99.76 0.04 0.01 0.12 99.78 0.04 0.00 0.00 0.00 56 E H H 110.58 2.68 22.93 24.82 91.75 49.71 -64.91 -41.36 0.30 0.00 99.70 0.04 0.02 0.17 99.74 0.04 0.00 0.00 0.00 57 A H H 41.87 6.55 20.52 28.01 91.94 49.82 -64.91 -41.43 0.43 0.00 99.57 0.06 0.02 0.25 99.62 0.05 0.00 0.00 0.00 58 S H H 20.83 15.21 17.44 33.07 92.02 50.92 -64.47 -41.04 0.62 0.00 99.38 0.10 0.03 0.35 99.44 0.07 0.00 0.00 0.00 59 E H H 89.11 8.38 20.63 29.33 91.90 51.40 -64.08 -40.63 0.37 0.00 99.63 0.04 0.02 0.22 99.66 0.06 0.00 0.00 0.00 60 A H H 58.46 3.21 21.82 24.53 91.78 51.31 -64.75 -40.90 0.26 0.00 99.74 0.03 0.01 0.16 99.75 0.06 0.00 0.00 0.00 61 Y H H 90.59 9.76 20.43 30.50 92.25 49.83 -65.44 -41.65 0.27 0.00 99.73 0.03 0.01 0.17 99.72 0.07 0.00 0.00 0.00 62 L H H 37.68 15.88 18.38 34.11 92.27 49.81 -64.52 -42.03 0.35 0.00 99.65 0.04 0.02 0.23 99.62 0.10 0.00 0.00 0.00 63 V H H 66.93 6.38 21.12 27.98 91.93 50.39 -63.88 -41.91 0.61 0.00 99.39 0.07 0.04 0.41 99.29 0.19 0.00 0.00 0.00 64 G H H 29.83 4.97 20.88 26.50 91.92 50.96 -64.33 -41.25 2.65 0.00 97.35 0.23 0.15 2.04 96.90 0.66 0.00 0.00 0.00 65 L H H 39.14 14.17 18.45 32.79 92.36 50.35 -65.76 -41.56 5.70 0.01 94.29 0.51 0.39 4.50 93.40 1.18 0.01 0.00 0.01 66 F H H 63.70 14.00 18.23 32.08 92.57 50.78 -66.31 -39.58 9.59 0.09 90.32 2.29 1.39 5.90 88.40 1.91 0.03 0.04 0.04 67 E H H 112.76 3.74 21.99 25.67 92.67 52.49 -66.29 -38.26 19.38 0.23 80.40 4.92 2.75 11.55 78.52 2.00 0.04 0.10 0.11 68 D H H 67.40 8.06 20.45 28.76 95.51 48.47 -75.82 -29.66 31.40 0.27 68.33 10.61 4.02 16.36 66.51 2.24 0.02 0.11 0.13 69 T H H 27.22 18.00 16.98 34.20 93.88 56.66 -67.37 -38.66 22.70 0.30 77.00 9.69 3.78 9.44 74.49 2.30 0.02 0.14 0.13 70 N H H 78.40 8.48 21.77 30.39 92.90 54.92 -64.47 -39.50 16.66 0.26 83.07 6.92 2.26 7.68 80.75 2.14 0.02 0.14 0.10 71 L H H 74.23 5.38 23.15 28.46 92.22 51.05 -65.42 -41.73 7.09 0.25 92.66 2.85 1.19 3.42 89.82 2.47 0.03 0.16 0.07 72 A H H 16.35 13.62 18.28 33.00 92.08 50.67 -64.45 -42.03 4.33 0.33 95.34 1.62 0.69 2.27 92.05 3.03 0.03 0.25 0.06 73 A H H 18.22 13.11 16.45 30.90 92.30 51.54 -64.30 -41.24 5.00 0.39 94.61 1.69 0.73 2.78 90.91 3.46 0.04 0.33 0.06 74 I H H 90.03 4.39 19.70 24.18 92.60 49.45 -65.91 -40.73 7.55 0.42 92.03 1.85 1.05 4.89 89.06 2.67 0.07 0.32 0.09 75 H H H 107.54 5.21 17.95 23.77 92.86 49.16 -69.39 -31.71 16.54 0.46 83.00 3.19 2.29 11.54 80.50 1.95 0.10 0.25 0.17 76 A C H 33.51 12.66 12.11 25.42 95.86 52.64 -81.43 -9.47 55.96 0.77 43.27 12.10 7.91 34.61 42.38 2.23 0.05 0.32 0.39 77 K C T 161.92 1.91 17.44 19.67 95.42 -124.31 57.41 31.18 80.89 0.43 18.69 13.14 12.01 54.68 17.00 2.73 0.01 0.18 0.26 78 R C T 113.37 7.75 13.98 22.88 125.14 100.82 -116.65 145.13 89.78 1.07 9.15 30.59 26.98 32.51 6.34 2.55 0.00 0.48 0.55 79 V C C 96.17 6.96 14.51 22.63 99.15 -141.41 -89.19 -10.71 92.77 3.64 3.58 48.92 36.17 8.12 1.76 1.66 0.00 2.08 1.28 80 T C C 76.76 4.32 20.22 25.03 127.43 59.05 -120.54 144.54 91.47 6.38 2.16 63.54 23.59 4.65 0.80 1.30 0.00 4.39 1.73 81 I C C 34.89 20.53 11.04 30.77 111.93 -129.44 -89.32 121.65 91.66 6.90 1.44 76.99 13.16 1.17 0.76 0.71 0.00 3.15 4.06 82 M C C 76.73 6.12 19.31 26.11 124.48 -167.01 -99.54 157.22 99.28 0.32 0.40 95.99 3.27 0.07 0.43 0.02 0.00 0.10 0.12 83 P H H 84.61 5.75 15.62 22.79 90.82 -108.21 -57.49 -38.32 2.25 0.00 97.75 0.24 0.20 1.56 97.25 0.76 0.00 0.00 0.00 84 K H H 125.14 2.83 19.84 22.75 91.51 54.47 -64.04 -38.66 0.94 0.00 99.06 0.09 0.05 0.65 98.56 0.64 0.00 0.00 0.00 85 D H H 18.48 17.30 15.65 33.27 91.90 50.68 -65.37 -40.95 0.26 0.00 99.74 0.05 0.02 0.14 99.34 0.46 0.00 0.00 0.00 86 I H H 27.67 16.55 17.28 33.99 91.81 51.01 -63.73 -41.75 0.08 0.00 99.92 0.01 0.00 0.04 99.87 0.08 0.00 0.00 0.00 87 Q H H 96.54 2.82 24.00 25.83 91.29 50.74 -63.23 -42.37 0.09 0.00 99.91 0.01 0.00 0.05 99.90 0.03 0.00 0.00 0.00 88 L H H 42.34 8.59 20.77 30.74 91.65 49.84 -63.87 -42.34 0.09 0.00 99.91 0.00 0.00 0.06 99.90 0.03 0.00 0.00 0.00 89 A H H 5.99 19.97 15.25 35.97 91.31 51.25 -62.93 -42.69 0.14 0.00 99.86 0.01 0.00 0.09 99.84 0.05 0.00 0.00 0.00 90 R H H 103.98 7.70 19.21 27.67 91.47 51.19 -63.50 -40.77 0.45 0.00 99.55 0.04 0.02 0.31 99.47 0.16 0.00 0.00 0.00 91 R H H 145.69 1.99 19.59 20.91 91.97 50.21 -64.99 -40.47 1.21 0.00 98.79 0.10 0.06 0.90 98.54 0.40 0.00 0.00 0.00 92 I H H 57.21 11.57 14.58 26.93 92.84 48.70 -67.82 -37.86 4.84 0.01 95.15 0.31 0.30 3.89 94.91 0.58 0.00 0.00 0.00 93 R H H 101.89 10.45 12.36 23.40 95.44 47.38 -81.55 -14.08 33.09 0.08 66.83 1.97 2.47 27.58 66.94 0.93 0.02 0.02 0.06 94 G C T 54.91 2.67 13.78 17.52 100.57 -96.20 75.29 7.47 89.48 0.16 10.37 27.21 1.64 58.94 11.44 0.61 0.00 0.05 0.11 95 E C C 125.04 4.24 12.63 18.55 106.81 112.71 -82.51 85.37 99.96 0.02 0.02 99.88 0.06 0.04 0.01 0.00 0.00 0.00 0.00