# 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 100.20 6.69 11.74 19.77 116.26 -133.68 -83.53 145.56 99.92 0.03 0.05 99.82 0.09 0.05 0.02 0.00 0.00 0.01 0.01 1 A C C 65.71 3.68 11.71 16.81 111.67 -106.68 -71.38 148.18 76.44 0.32 23.24 73.87 0.75 3.14 20.84 1.11 0.00 0.11 0.18 2 L H H 109.18 4.81 9.98 16.44 96.10 -110.89 -65.14 -31.82 33.63 0.51 65.87 20.08 5.61 9.30 57.22 7.29 0.01 0.25 0.25 3 S H H 76.50 2.49 12.01 15.53 95.49 60.28 -70.67 -29.86 29.25 0.55 70.20 16.55 4.68 9.07 60.58 8.60 0.02 0.29 0.23 4 T H H 76.42 3.38 13.12 17.54 96.74 53.92 -72.98 -30.88 25.51 0.63 73.85 15.34 4.54 7.12 64.57 7.83 0.02 0.35 0.24 5 I H H 68.69 7.95 12.14 21.56 95.96 59.52 -68.95 -39.14 16.35 0.50 83.16 10.07 3.70 4.23 78.80 2.78 0.02 0.24 0.16 6 V H H 70.71 5.39 14.16 21.01 93.59 52.73 -65.60 -40.87 11.21 0.31 88.48 6.79 2.10 3.25 85.62 1.98 0.01 0.16 0.09 7 S H H 60.83 2.16 16.83 18.64 92.60 50.66 -65.27 -40.05 11.55 0.22 88.23 6.79 1.63 3.65 85.92 1.82 0.01 0.12 0.06 8 Q H H 82.75 5.66 15.90 22.82 92.68 49.86 -66.55 -39.47 7.85 0.12 92.02 3.87 1.34 3.03 90.04 1.60 0.01 0.06 0.04 9 R H H 83.85 12.11 14.32 26.82 92.24 52.59 -64.70 -40.01 5.63 0.08 94.30 2.48 0.90 2.36 92.99 1.21 0.01 0.04 0.02 10 K H H 111.63 3.40 17.75 21.63 92.14 52.05 -64.52 -40.14 4.99 0.06 94.95 1.89 0.73 2.38 93.63 1.31 0.01 0.03 0.02 11 Q H H 94.81 2.79 18.27 20.92 92.28 50.67 -65.34 -40.44 6.23 0.09 93.69 2.17 0.92 3.24 91.67 1.91 0.01 0.05 0.03 12 I H H 39.06 12.48 13.82 27.38 92.80 50.46 -66.12 -39.74 7.78 0.11 92.11 2.64 1.08 4.17 88.66 3.33 0.01 0.06 0.04 13 K H H 90.56 11.41 14.64 26.45 91.72 55.23 -65.66 -33.96 12.81 0.16 87.03 3.25 1.60 8.00 80.07 6.89 0.03 0.09 0.07 14 R H H 165.18 1.91 17.80 19.59 92.97 54.44 -73.20 -24.67 31.11 0.20 68.69 3.58 2.96 24.21 63.09 5.88 0.07 0.10 0.12 15 K H H 129.74 3.70 17.28 21.42 98.01 46.85 -88.50 -17.41 45.34 0.34 54.32 5.24 6.93 33.33 49.60 4.42 0.09 0.14 0.25 16 A C S 19.50 18.51 9.20 26.75 119.53 82.17 -94.27 134.70 99.14 0.42 0.43 19.78 78.90 0.53 0.37 0.05 0.00 0.11 0.26 17 P C C 70.85 3.42 20.10 23.25 112.05 -110.99 -66.64 144.69 97.65 0.95 1.40 96.75 0.75 0.34 1.19 0.10 0.00 0.24 0.63 18 R H H 121.43 11.88 12.81 24.91 92.59 -121.28 -59.30 -37.26 3.23 0.01 96.76 0.73 0.49 1.75 96.31 0.70 0.00 0.00 0.00 19 G H H 42.35 2.13 18.85 20.30 91.54 55.56 -63.09 -39.66 1.75 0.00 98.25 0.21 0.16 1.20 97.65 0.78 0.00 0.00 0.00 20 F H H 86.29 5.74 18.64 25.29 92.06 50.48 -66.06 -40.41 0.73 0.00 99.26 0.16 0.07 0.40 98.74 0.63 0.00 0.00 0.00 21 L H H 12.38 20.09 13.53 33.77 91.83 50.64 -64.05 -42.96 0.32 0.00 99.68 0.06 0.03 0.16 99.64 0.11 0.00 0.00 0.00 22 K H H 87.42 9.73 18.58 28.84 91.46 51.36 -62.87 -41.11 0.34 0.00 99.66 0.05 0.02 0.18 99.70 0.05 0.00 0.00 0.00 23 R H H 134.03 1.87 21.68 21.94 91.79 50.27 -64.71 -41.80 0.42 0.00 99.58 0.04 0.03 0.24 99.63 0.05 0.00 0.00 0.00 24 V H H 35.64 8.95 17.93 28.61 91.85 49.11 -64.28 -42.85 0.55 0.00 99.44 0.06 0.05 0.32 99.49 0.08 0.00 0.00 0.00 25 F H H 27.08 15.99 13.59 30.21 92.01 49.15 -64.54 -40.90 0.90 0.00 99.10 0.10 0.07 0.57 99.06 0.19 0.00 0.00 0.00 26 K H H 105.93 5.70 15.15 22.21 91.81 52.01 -65.03 -36.95 3.46 0.01 96.53 0.22 0.19 2.84 96.09 0.64 0.00 0.00 0.00 27 R H H 165.89 1.34 16.32 17.01 92.80 51.18 -67.53 -36.47 9.80 0.01 90.18 0.31 0.52 8.97 89.46 0.72 0.01 0.00 0.01 28 K H H 114.61 4.99 13.68 19.85 97.19 39.16 -85.03 -28.52 18.31 0.06 81.63 1.09 3.23 13.85 81.20 0.55 0.03 0.01 0.04 29 K C C 75.03 8.65 10.15 20.33 112.72 22.48 -133.06 78.46 99.20 0.19 0.61 75.97 21.96 1.21 0.44 0.16 0.00 0.05 0.22 30 P C T 97.81 3.77 10.67 16.89 93.46 171.28 -63.80 -22.35 91.76 0.13 8.11 9.88 7.90 73.16 0.81 8.10 0.00 0.07 0.07 31 Q C T 154.28 0.65 13.95 13.13 94.05 58.20 -84.05 -4.82 90.31 0.23 9.47 7.08 9.72 72.72 1.13 9.09 0.00 0.13 0.12 32 L C C 59.04 11.86 8.32 20.76 114.63 95.52 -88.61 131.69 89.87 1.21 8.91 49.46 34.11 6.24 1.53 7.30 0.00 0.51 0.85 33 R C C 175.12 1.67 18.24 19.68 111.01 -140.57 -92.28 117.48 92.26 4.11 3.63 85.66 3.86 2.98 0.92 2.50 0.00 2.23 1.85 34 L C C 41.70 19.55 8.14 25.75 118.13 -161.18 -97.97 135.73 87.86 9.45 2.70 79.81 5.84 1.42 1.66 0.99 0.00 3.88 6.40 35 E C C 106.45 3.22 17.41 20.84 120.03 -129.93 -81.80 161.23 95.14 1.18 3.68 87.71 5.75 1.89 2.69 0.80 0.00 0.55 0.61 36 K C T 157.71 2.36 14.55 18.13 94.64 -92.73 -62.02 -34.60 70.21 0.17 29.62 2.81 6.00 60.20 24.41 6.31 0.02 0.07 0.18 37 S C T 71.09 3.67 15.96 20.32 95.11 39.53 -70.03 -5.92 68.63 0.11 31.26 4.45 4.45 58.17 27.40 5.38 0.01 0.04 0.10 38 G H H 11.84 12.85 13.74 28.24 93.55 94.43 -64.33 -38.58 16.26 0.13 83.61 8.84 3.27 4.99 80.01 2.78 0.00 0.05 0.06 39 D H H 46.46 14.34 16.59 30.70 92.28 53.72 -64.65 -40.47 3.80 0.03 96.16 1.43 0.53 1.83 95.24 0.94 0.00 0.02 0.01 40 L H H 80.17 5.59 20.75 26.72 92.11 51.67 -64.72 -40.92 0.98 0.01 99.01 0.30 0.11 0.49 98.59 0.51 0.00 0.01 0.00 41 L H H 74.45 6.39 21.19 27.73 91.88 50.69 -64.68 -42.18 0.38 0.00 99.61 0.10 0.03 0.20 99.43 0.24 0.00 0.00 0.00 42 V H H 24.58 16.56 18.27 34.84 91.86 49.49 -64.44 -42.84 0.32 0.00 99.68 0.06 0.02 0.19 99.60 0.13 0.00 0.00 0.00 43 H H H 65.49 12.95 20.06 32.83 91.70 50.45 -63.52 -41.65 0.28 0.00 99.72 0.03 0.02 0.18 99.70 0.08 0.00 0.00 0.00 44 L H H 79.68 4.76 22.28 27.08 91.80 50.24 -64.12 -42.11 0.25 0.00 99.75 0.03 0.01 0.16 99.75 0.05 0.00 0.00 0.00 45 N H H 59.64 9.09 21.24 30.60 92.00 49.78 -65.11 -40.88 0.37 0.00 99.63 0.04 0.01 0.24 99.65 0.05 0.00 0.00 0.00 46 C H H 24.03 15.96 18.56 34.56 91.87 50.55 -64.72 -41.62 0.23 0.00 99.77 0.02 0.01 0.15 99.79 0.03 0.00 0.00 0.00 47 L H H 64.06 8.88 20.90 30.32 91.83 51.39 -63.82 -41.08 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 48 L H H 74.44 4.67 22.19 26.87 91.61 50.95 -64.42 -42.10 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 49 F H H 51.29 12.05 19.95 32.54 91.73 49.63 -64.43 -42.84 0.07 0.00 99.93 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 50 V H H 36.47 15.00 18.96 33.85 91.58 50.35 -63.91 -42.13 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 51 H H H 99.96 5.39 21.93 27.62 91.83 50.81 -64.26 -41.22 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 52 R H H 109.81 4.94 22.90 27.77 91.86 49.62 -65.01 -41.64 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 53 L H H 28.29 14.95 19.18 34.51 91.87 49.31 -64.74 -41.75 0.18 0.00 99.82 0.01 0.01 0.12 99.83 0.03 0.00 0.00 0.00 54 A H H 26.48 12.72 18.92 32.37 91.70 51.18 -63.53 -41.68 0.30 0.00 99.70 0.04 0.02 0.18 99.73 0.03 0.00 0.00 0.00 55 E H H 106.84 2.52 24.59 25.84 91.75 49.54 -64.09 -42.08 0.35 0.00 99.65 0.04 0.02 0.21 99.70 0.03 0.00 0.00 0.00 56 E H H 77.86 5.78 22.75 28.85 91.79 48.60 -64.83 -41.46 0.44 0.00 99.56 0.05 0.03 0.26 99.62 0.05 0.00 0.00 0.00 57 S H H 10.49 17.74 15.93 34.33 91.77 50.77 -63.87 -41.73 0.73 0.00 99.27 0.12 0.05 0.39 99.37 0.07 0.00 0.00 0.00 58 R H H 115.70 7.74 20.94 29.26 91.59 51.27 -63.34 -41.64 0.95 0.00 99.05 0.18 0.08 0.49 99.17 0.08 0.00 0.00 0.00 59 T H H 77.76 1.84 23.57 23.15 91.74 48.72 -64.62 -42.62 1.13 0.01 98.86 0.28 0.13 0.54 98.95 0.09 0.00 0.00 0.00 60 N H H 56.53 6.84 19.32 27.24 92.23 47.86 -65.73 -40.90 1.27 0.01 98.72 0.26 0.16 0.73 98.67 0.17 0.00 0.01 0.00 61 A H H 9.88 14.66 11.79 28.02 91.56 51.47 -63.37 -41.93 1.74 0.01 98.24 0.42 0.20 0.97 98.04 0.36 0.00 0.01 0.00 62 C H H 84.49 2.55 16.23 19.23 92.19 49.05 -65.16 -40.58 2.85 0.01 97.14 0.46 0.23 1.91 96.81 0.57 0.00 0.01 0.00 63 A H H 85.64 1.11 15.52 15.73 91.89 51.11 -66.87 -33.95 8.07 0.02 91.91 0.45 0.56 6.79 91.65 0.53 0.01 0.01 0.01 64 S C T 62.44 4.69 11.82 18.12 95.49 43.60 -93.02 0.39 72.71 0.06 27.23 1.31 3.35 65.58 28.81 0.87 0.01 0.01 0.05 65 K C T 176.92 0.71 14.64 14.46 93.25 -122.31 58.78 35.67 99.32 0.02 0.66 5.30 2.61 91.55 0.40 0.11 0.00 0.01 0.01 66 C C C 50.02 8.36 8.98 19.01 122.80 142.40 -104.65 153.30 98.87 0.57 0.56 93.95 3.90 1.10 0.24 0.21 0.00 0.19 0.42 67 R C S 188.75 1.41 14.81 16.54 97.26 -153.01 -91.03 -7.34 99.50 0.32 0.19 19.07 78.20 2.34 0.07 0.08 0.00 0.16 0.09 68 V C S 92.32 3.03 18.36 22.08 126.81 68.49 -116.44 145.75 95.59 4.24 0.17 14.49 81.05 1.16 0.08 0.06 0.00 2.17 1.00 69 I C C 41.67 19.11 10.09 28.48 110.85 -117.50 -80.08 126.06 89.82 9.98 0.20 78.84 11.39 0.19 0.14 0.06 0.00 3.81 5.57 70 N C C 71.42 4.26 21.17 25.37 128.34 -173.37 -109.29 165.12 99.12 0.73 0.15 98.68 0.63 0.03 0.13 0.01 0.00 0.26 0.26 71 K H H 123.55 7.71 14.55 23.66 91.45 -102.92 -58.89 -37.22 1.37 0.00 98.63 0.13 0.13 0.94 98.49 0.31 0.00 0.00 0.00 72 E H H 128.14 1.70 20.12 20.86 91.47 54.21 -64.66 -39.66 0.48 0.00 99.52 0.04 0.03 0.34 99.33 0.26 0.00 0.00 0.00 73 H H H 36.95 13.12 16.37 30.51 92.02 49.95 -65.34 -41.31 0.14 0.00 99.86 0.02 0.01 0.08 99.67 0.22 0.00 0.00 0.00 74 V H H 21.17 18.50 16.34 34.75 91.95 49.89 -63.82 -43.13 0.05 0.00 99.95 0.00 0.00 0.03 99.93 0.04 0.00 0.00 0.00 75 L H H 81.90 5.33 22.75 28.19 91.60 49.53 -63.59 -41.98 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 76 A H H 46.74 4.07 23.35 27.37 91.52 49.60 -64.14 -42.21 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 77 A H H 11.32 16.25 18.52 35.58 91.81 49.96 -64.23 -42.38 0.10 0.00 99.90 0.00 0.00 0.07 99.90 0.02 0.00 0.00 0.00 78 A H H 26.03 14.38 19.36 33.94 91.69 51.01 -63.21 -41.53 0.22 0.00 99.78 0.01 0.01 0.13 99.82 0.02 0.00 0.00 0.00 79 K H H 116.93 2.92 23.66 26.01 91.83 50.56 -64.46 -41.12 0.61 0.00 99.39 0.05 0.02 0.39 99.49 0.05 0.00 0.00 0.00 80 V H H 56.70 5.81 20.54 27.21 91.85 49.14 -64.82 -42.09 0.60 0.00 99.40 0.09 0.04 0.33 99.44 0.09 0.00 0.00 0.00 81 I H H 27.74 14.93 15.82 31.54 92.08 49.31 -64.59 -42.76 0.78 0.00 99.22 0.17 0.07 0.40 99.12 0.24 0.00 0.00 0.00 82 L H H 67.60 8.45 15.97 25.54 91.78 49.73 -64.28 -40.11 1.40 0.00 98.60 0.24 0.11 0.86 98.01 0.78 0.00 0.00 0.00 83 K H H 139.35 1.58 17.13 18.21 92.50 50.42 -65.72 -38.99 4.10 0.01 95.89 0.40 0.28 3.12 94.20 1.99 0.00 0.00 0.00 84 K H H 126.81 3.53 14.79 19.47 93.51 49.75 -69.60 -32.83 12.50 0.02 87.47 0.97 0.92 10.12 85.85 2.12 0.01 0.01 0.01 85 S H H 50.06 10.61 10.42 21.45 97.40 48.52 -87.17 -11.96 36.98 0.25 62.77 7.54 4.77 24.62 60.84 1.95 0.03 0.09 0.17 86 R C C 156.66 3.53 10.85 16.14 102.59 75.55 -82.56 8.93 75.16 0.83 24.01 49.47 2.12 21.64 24.53 1.34 0.00 0.30 0.60 87 G C C 50.19 3.23 13.55 18.15 112.43 -101.06 89.53 -8.20 99.97 0.02 0.01 99.88 0.06 0.05 0.00 0.00 0.00 0.01 0.00