# 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 82.08 10.00 10.80 21.72 115.70 -117.98 -82.85 143.09 99.98 0.01 0.00 99.89 0.09 0.01 0.00 0.00 0.00 0.00 0.00 1 P C C 70.24 4.20 12.53 18.32 113.81 -109.65 -67.37 153.60 89.26 0.21 10.53 87.37 0.43 1.50 10.24 0.28 0.00 0.06 0.13 2 S H H 80.12 2.30 11.88 15.24 93.34 -110.12 -60.71 -35.93 11.35 0.05 88.60 4.21 2.04 5.25 86.85 1.60 0.01 0.02 0.03 3 T H H 70.37 5.71 12.11 19.31 92.78 53.90 -65.55 -38.23 5.31 0.02 94.66 1.25 0.68 3.16 93.25 1.63 0.00 0.01 0.01 4 F H H 94.00 6.73 13.13 21.33 92.30 50.62 -65.80 -40.09 2.50 0.02 97.48 0.73 0.29 1.38 95.87 1.72 0.00 0.01 0.00 5 F H H 116.52 2.59 16.09 18.74 92.07 49.89 -64.37 -41.44 1.53 0.01 98.46 0.47 0.17 0.79 97.96 0.60 0.00 0.00 0.00 6 N H H 76.04 4.35 16.80 21.93 92.10 50.29 -65.04 -40.89 1.14 0.00 98.86 0.33 0.09 0.58 98.79 0.20 0.00 0.00 0.00 7 L H H 47.47 11.76 15.01 27.64 92.13 50.53 -64.67 -41.69 0.48 0.00 99.52 0.07 0.03 0.28 99.50 0.12 0.00 0.00 0.00 8 T H H 64.34 5.86 18.62 25.27 91.93 49.91 -64.23 -41.46 0.36 0.00 99.64 0.05 0.02 0.22 99.63 0.09 0.00 0.00 0.00 9 M H H 101.43 2.79 20.95 22.58 91.88 49.50 -64.55 -41.52 0.24 0.00 99.76 0.03 0.01 0.15 99.75 0.07 0.00 0.00 0.00 10 A H H 34.52 9.64 17.73 28.54 91.55 50.49 -64.13 -41.88 0.18 0.00 99.82 0.02 0.01 0.11 99.81 0.05 0.00 0.00 0.00 11 F H H 65.99 12.85 17.77 30.79 91.74 50.19 -64.10 -41.55 0.21 0.00 99.79 0.01 0.01 0.14 99.78 0.06 0.00 0.00 0.00 12 S H H 56.47 4.15 21.71 25.42 91.70 50.36 -63.93 -42.05 0.23 0.00 99.77 0.02 0.01 0.16 99.76 0.06 0.00 0.00 0.00 13 L H H 82.44 4.57 21.94 26.31 91.62 49.60 -64.45 -41.83 0.18 0.00 99.82 0.01 0.01 0.13 99.77 0.08 0.00 0.00 0.00 14 S H H 20.98 15.09 16.55 32.25 91.71 50.97 -63.58 -42.02 0.29 0.00 99.71 0.02 0.01 0.22 99.62 0.13 0.00 0.00 0.00 15 L H H 70.43 8.13 20.50 29.19 91.57 50.02 -63.74 -41.51 0.36 0.00 99.64 0.02 0.01 0.30 99.44 0.23 0.00 0.00 0.00 16 L H H 86.69 3.44 22.23 24.44 91.57 50.14 -63.83 -41.79 0.53 0.00 99.47 0.03 0.03 0.44 99.00 0.51 0.00 0.00 0.00 17 G H H 17.01 10.00 16.60 28.35 91.70 50.97 -63.63 -41.35 1.40 0.00 98.60 0.07 0.06 1.18 97.26 1.41 0.00 0.00 0.00 18 T H H 40.45 13.33 15.02 28.78 91.81 51.61 -65.14 -38.49 2.81 0.00 97.19 0.10 0.13 2.58 94.31 2.88 0.00 0.00 0.00 19 L H H 101.90 3.63 18.50 22.34 92.18 50.96 -69.33 -32.27 8.39 0.01 91.60 0.28 0.45 7.69 88.31 3.24 0.01 0.01 0.01 20 M H H 111.14 3.21 17.15 20.41 95.52 50.54 -78.84 -21.34 29.54 0.21 70.25 2.45 3.36 23.90 66.54 3.41 0.10 0.08 0.15 21 F C C 69.99 12.59 10.67 23.56 103.94 67.42 -90.38 42.04 69.84 1.73 28.43 31.08 9.76 29.73 23.51 4.13 0.03 0.66 1.10 22 R C T 146.94 5.07 14.15 20.73 98.58 133.08 -71.14 -21.32 92.34 1.02 6.63 24.16 10.11 58.64 4.16 1.94 0.00 0.55 0.45 23 S C T 84.97 2.17 15.70 17.79 99.15 41.32 -94.36 -16.32 94.55 0.51 4.94 9.81 27.90 57.53 1.76 2.46 0.00 0.28 0.25 24 H C C 90.99 5.62 13.88 21.12 118.59 44.51 -123.28 120.26 94.71 2.86 2.43 62.65 30.37 1.33 1.89 0.48 0.00 0.66 2.61 25 L H H 91.92 7.88 13.60 23.05 93.20 -143.10 -61.15 -38.41 6.05 0.02 93.93 0.95 1.20 3.79 93.12 0.90 0.01 0.01 0.01 26 M H H 108.40 4.44 18.02 22.76 91.80 54.23 -64.24 -40.20 2.70 0.01 97.30 0.27 0.21 2.03 96.65 0.83 0.00 0.00 0.00 27 S H H 34.68 7.62 17.69 26.81 91.72 50.00 -65.22 -40.35 0.74 0.00 99.26 0.12 0.05 0.47 98.59 0.76 0.00 0.00 0.00 28 T H H 25.39 14.77 16.63 32.01 91.75 52.60 -63.41 -41.99 0.20 0.00 99.80 0.04 0.01 0.10 99.71 0.14 0.00 0.00 0.00 29 L H H 57.87 11.33 20.65 32.20 91.86 50.55 -63.69 -41.55 0.11 0.00 99.89 0.01 0.00 0.07 99.86 0.06 0.00 0.00 0.00 30 L H H 81.91 5.52 23.37 28.70 91.70 50.06 -64.73 -41.46 0.11 0.00 99.89 0.01 0.00 0.07 99.88 0.03 0.00 0.00 0.00 31 C H H 32.19 11.73 20.60 33.00 92.02 50.50 -64.33 -42.43 0.17 0.00 99.83 0.02 0.00 0.11 99.84 0.03 0.00 0.00 0.00 32 L H H 38.29 15.33 21.03 36.06 91.86 49.54 -64.25 -42.04 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 33 E H H 70.61 10.41 22.31 32.80 91.54 51.51 -63.94 -41.93 0.11 0.00 99.89 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 34 G H H 27.97 7.23 22.68 30.28 91.50 50.73 -64.00 -41.44 0.12 0.00 99.88 0.02 0.00 0.07 99.89 0.02 0.00 0.00 0.00 35 M H H 60.71 11.21 22.19 33.43 92.06 49.93 -64.68 -41.73 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 36 V H H 37.33 15.00 20.61 35.39 91.97 50.04 -64.03 -42.15 0.11 0.00 99.89 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 37 L H H 70.22 8.70 22.69 31.57 91.79 50.07 -64.51 -41.27 0.16 0.00 99.84 0.01 0.00 0.11 99.85 0.03 0.00 0.00 0.00 38 S H H 42.60 7.03 22.26 29.69 91.80 51.25 -64.06 -41.92 0.22 0.00 99.78 0.02 0.01 0.14 99.79 0.05 0.00 0.00 0.00 39 L H H 49.74 12.39 21.01 33.38 91.83 50.58 -64.30 -41.73 0.16 0.00 99.84 0.01 0.00 0.10 99.83 0.05 0.00 0.00 0.00 40 F H H 64.83 13.74 20.27 33.70 91.96 51.04 -63.88 -42.09 0.16 0.00 99.84 0.01 0.00 0.12 99.79 0.08 0.00 0.00 0.00 41 I H H 79.38 6.54 22.88 29.55 91.77 49.01 -64.13 -42.10 0.23 0.00 99.77 0.01 0.01 0.18 99.70 0.11 0.00 0.00 0.00 42 M H H 77.96 7.37 22.57 30.03 91.89 49.41 -64.29 -41.97 0.52 0.00 99.48 0.02 0.02 0.42 99.27 0.26 0.00 0.00 0.00 43 T H H 32.88 14.23 19.10 33.50 92.15 49.81 -64.74 -41.42 1.57 0.00 98.43 0.07 0.07 1.32 97.99 0.54 0.00 0.00 0.00 44 S H H 39.21 10.77 19.46 30.68 92.16 50.62 -64.75 -41.15 4.30 0.01 95.69 0.29 0.30 3.48 94.77 1.15 0.01 0.00 0.00 45 V H H 71.76 5.04 21.65 26.39 92.04 49.43 -64.91 -41.52 7.34 0.04 92.62 0.70 0.76 5.75 90.35 2.37 0.04 0.01 0.02 46 T H H 47.82 8.09 18.48 27.47 92.11 49.99 -65.60 -40.98 12.60 0.10 87.30 1.64 1.64 9.38 82.73 4.44 0.06 0.05 0.05 47 S H H 29.51 12.08 14.07 27.17 92.35 51.37 -66.33 -35.15 22.87 0.22 76.91 4.22 2.99 15.89 69.78 6.80 0.08 0.11 0.13 48 L H H 95.89 5.85 15.74 22.56 93.22 54.37 -70.17 -29.72 34.22 0.45 65.32 6.47 5.98 22.88 57.23 6.79 0.16 0.21 0.30 49 N C H 111.28 2.82 15.33 18.13 98.11 46.53 -85.26 -18.60 54.22 0.62 45.16 9.79 12.08 33.14 39.14 5.07 0.09 0.24 0.44 50 S C T 61.61 5.25 12.86 19.35 105.05 42.87 -100.54 3.50 79.14 0.81 20.04 21.78 23.79 34.05 15.59 3.90 0.01 0.30 0.58 51 N C C 122.09 3.07 13.75 18.40 96.29 -125.15 57.30 30.21 94.84 0.77 4.38 50.17 19.50 25.51 1.93 2.07 0.00 0.35 0.47 52 S C C 48.32 6.77 12.62 21.25 117.46 141.61 -99.63 132.69 91.31 1.37 7.32 70.86 12.82 7.37 3.89 3.40 0.00 0.59 1.06 53 M C G 120.69 5.81 14.03 21.24 94.54 -148.24 -67.77 -25.60 52.40 0.87 46.73 20.10 11.31 21.36 19.36 26.85 0.02 0.39 0.61 54 S H G 70.10 4.28 16.41 21.72 92.19 66.51 -68.12 -23.87 47.64 0.59 51.76 10.60 8.71 27.33 22.95 29.65 0.04 0.28 0.45 55 S H G 29.20 13.92 13.41 27.85 94.09 57.57 -78.10 -17.43 40.23 0.56 59.22 11.82 7.06 20.25 29.33 30.90 0.03 0.26 0.35 56 M H H 74.40 12.15 16.16 28.44 93.66 71.12 -66.77 -36.26 48.75 0.41 50.84 11.46 12.62 24.88 38.99 11.51 0.06 0.16 0.32 57 P H H 69.15 5.56 20.09 25.71 92.98 54.17 -66.13 -37.36 29.86 0.17 69.97 8.72 5.77 15.49 65.35 4.45 0.02 0.06 0.12 58 I H H 65.47 9.02 19.36 29.10 92.47 53.78 -64.32 -41.81 6.42 0.02 93.56 2.21 1.25 2.85 92.70 0.96 0.00 0.01 0.01 59 P H H 28.24 15.23 16.92 32.49 91.75 51.75 -63.84 -40.98 2.67 0.01 97.32 0.93 0.24 1.35 96.73 0.74 0.00 0.01 0.00 60 I H H 81.88 6.47 21.75 28.31 91.65 49.52 -64.49 -41.76 0.74 0.00 99.26 0.15 0.07 0.46 98.88 0.45 0.00 0.00 0.00 61 T H H 60.07 6.60 21.58 28.34 91.74 50.08 -64.45 -42.37 0.38 0.00 99.62 0.06 0.03 0.24 99.50 0.16 0.00 0.00 0.00 62 I H H 44.26 14.38 19.01 33.39 92.01 49.60 -64.51 -42.07 0.23 0.00 99.76 0.03 0.01 0.15 99.73 0.08 0.00 0.00 0.00 63 L H H 62.66 11.67 20.44 32.05 91.87 50.00 -63.68 -41.36 0.21 0.00 99.79 0.03 0.01 0.13 99.76 0.06 0.00 0.00 0.00 64 V H H 75.36 4.84 23.50 27.86 91.79 49.46 -64.30 -42.46 0.15 0.00 99.85 0.02 0.01 0.09 99.85 0.04 0.00 0.00 0.00 65 F H H 79.13 9.42 22.29 31.95 91.81 48.82 -64.74 -42.22 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.03 0.00 0.00 0.00 66 A H H 21.20 15.63 18.95 34.82 91.46 51.33 -62.94 -41.64 0.13 0.00 99.87 0.01 0.00 0.08 99.87 0.03 0.00 0.00 0.00 67 A H H 51.21 6.36 23.90 29.92 91.58 50.63 -64.01 -41.87 0.15 0.00 99.85 0.01 0.01 0.10 99.85 0.03 0.00 0.00 0.00 68 C H H 57.47 5.42 23.97 29.34 91.69 49.19 -64.39 -42.43 0.18 0.00 99.82 0.02 0.01 0.11 99.83 0.03 0.00 0.00 0.00 69 E H H 50.22 14.21 21.01 34.94 91.96 50.13 -63.93 -41.71 0.18 0.00 99.82 0.02 0.01 0.12 99.83 0.03 0.00 0.00 0.00 70 A H H 34.34 12.29 21.05 33.36 91.48 50.42 -63.21 -41.66 0.24 0.00 99.76 0.02 0.01 0.16 99.76 0.04 0.00 0.00 0.00 71 A H H 55.20 4.55 24.11 28.00 91.66 50.60 -64.12 -42.00 0.37 0.00 99.63 0.03 0.02 0.26 99.63 0.06 0.00 0.00 0.00 72 V H H 63.10 7.41 23.24 30.69 91.71 48.53 -65.06 -41.97 0.38 0.00 99.62 0.03 0.02 0.27 99.61 0.06 0.00 0.00 0.00 73 G H H 13.37 14.86 18.37 33.73 91.60 51.45 -62.69 -42.52 0.37 0.00 99.63 0.04 0.01 0.24 99.63 0.07 0.00 0.00 0.00 74 L H H 76.18 7.15 22.13 29.32 91.66 50.13 -63.92 -41.51 0.21 0.00 99.79 0.02 0.01 0.14 99.76 0.08 0.00 0.00 0.00 75 A H H 50.61 4.30 21.83 26.06 91.34 50.45 -63.74 -42.14 0.22 0.00 99.78 0.02 0.01 0.15 99.74 0.09 0.00 0.00 0.00 76 L H H 56.49 10.18 19.41 30.01 91.74 49.65 -64.49 -41.36 0.34 0.00 99.66 0.02 0.01 0.23 99.61 0.12 0.00 0.00 0.00 77 L H H 58.10 11.44 18.08 29.96 91.50 50.82 -63.82 -41.80 0.50 0.00 99.50 0.05 0.03 0.32 99.41 0.19 0.00 0.00 0.00 78 V H H 76.25 4.40 19.80 24.23 91.72 49.93 -64.23 -41.72 1.06 0.00 98.94 0.12 0.07 0.71 98.78 0.32 0.00 0.00 0.00 79 K H H 101.22 4.12 19.16 23.48 92.09 50.05 -65.07 -41.29 2.87 0.02 97.12 0.36 0.22 2.07 96.62 0.71 0.00 0.01 0.00 80 V H H 46.36 9.40 15.39 25.94 92.27 48.50 -65.19 -41.18 6.21 0.07 93.72 0.99 0.74 4.28 92.75 1.17 0.02 0.03 0.02 81 S H H 45.23 8.00 13.86 23.18 92.58 51.63 -65.77 -37.55 10.95 0.16 88.88 3.16 1.77 6.24 86.55 2.10 0.03 0.07 0.08 82 N H H 108.31 2.62 15.20 18.06 93.62 50.65 -72.10 -31.67 17.71 0.16 82.13 3.15 2.33 12.45 77.91 3.94 0.06 0.08 0.08 83 T H H 90.28 2.77 14.76 18.03 98.27 42.66 -82.90 -34.55 22.86 0.22 76.92 3.14 3.55 16.66 72.85 3.49 0.10 0.09 0.13 84 Y H H 136.44 4.46 12.91 18.42 103.65 29.40 -101.99 -8.28 37.05 0.67 62.28 7.38 10.74 20.83 57.57 2.64 0.16 0.23 0.45 85 G C C 34.25 5.61 13.49 20.54 121.09 -120.46 91.81 162.50 87.73 0.82 11.45 53.70 13.03 20.94 8.22 3.27 0.00 0.37 0.48 86 T C C 81.36 6.33 12.79 20.27 103.58 -69.17 -83.22 -11.68 69.10 1.44 29.46 40.55 15.60 13.35 22.10 6.94 0.01 0.60 0.84 87 D C H 90.59 4.04 14.04 19.06 97.25 95.65 -75.99 -23.06 55.30 1.15 43.55 28.63 13.15 14.58 34.45 8.06 0.03 0.52 0.58 88 Y H H 110.58 5.99 13.07 20.46 96.19 61.61 -71.44 -34.62 39.35 1.13 59.51 18.43 9.19 13.30 47.68 10.29 0.05 0.59 0.48 89 V H H 65.90 7.31 11.95 20.73 93.82 53.81 -67.73 -38.41 28.41 1.18 70.41 12.77 5.66 10.68 54.27 15.42 0.07 0.69 0.43 90 Q H H 111.82 2.89 13.94 17.80 93.16 55.24 -67.95 -33.81 29.26 0.82 69.92 10.58 5.05 13.26 53.39 16.86 0.06 0.47 0.33 91 N H H 89.76 3.49 12.87 17.49 96.86 52.19 -80.82 -13.57 36.08 0.65 63.28 15.23 5.15 15.31 47.35 16.27 0.03 0.34 0.31 92 L H H 81.39 6.43 9.93 18.11 95.67 81.11 -68.11 -33.63 29.42 0.56 70.02 11.91 5.34 11.80 50.60 19.79 0.04 0.29 0.25 93 N H H 105.41 2.70 11.34 15.32 96.30 58.71 -72.17 -22.47 28.95 0.48 70.57 10.34 4.03 13.23 49.61 22.30 0.03 0.27 0.21 94 L H H 111.13 2.68 9.50 13.70 97.19 64.74 -74.54 -22.58 30.02 0.79 69.19 11.57 4.71 12.57 45.69 24.69 0.04 0.43 0.31 95 L H H 116.40 2.92 8.62 13.11 101.02 64.65 -81.09 -8.13 43.63 1.93 54.44 20.04 7.48 16.47 36.59 17.46 0.07 1.04 0.85 96 Q C C 138.94 1.73 8.68 11.82 105.41 70.53 -86.97 49.90 69.11 1.46 29.42 48.50 2.16 19.69 22.10 5.96 0.00 0.85 0.72 97 C C C 84.58 5.18 9.94 16.76 109.84 132.56 -91.42 108.22 99.95 0.03 0.02 99.88 0.05 0.04 0.01 0.00 0.00 0.01 0.00