# 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 G C C 45.46 4.92 12.18 18.64 119.17 -133.47 111.80 158.84 99.89 0.08 0.03 99.67 0.17 0.10 0.01 0.00 0.00 0.04 0.02 1 A C C 83.60 2.92 9.29 13.88 110.70 -96.98 -89.32 124.20 91.09 1.62 7.29 76.24 2.75 13.06 2.89 3.32 0.00 0.94 0.80 2 M C C 140.26 2.05 8.49 12.17 111.11 -145.40 -91.49 120.28 88.26 2.26 9.48 50.83 20.11 17.60 3.45 5.69 0.00 1.06 1.26 3 D C C 99.56 3.71 8.43 13.94 113.66 -148.91 -92.46 129.52 81.43 1.74 16.83 53.82 17.58 9.96 7.14 9.66 0.00 0.83 1.00 4 P C C 101.93 3.00 9.20 13.92 105.64 -148.60 -82.07 49.78 77.34 1.47 21.18 47.40 12.59 17.43 9.79 11.24 0.00 0.75 0.80 5 M C C 116.08 4.24 8.98 14.89 109.84 112.71 -90.33 105.46 73.43 1.72 24.85 44.03 15.61 13.89 13.92 10.67 0.01 0.74 1.14 6 E C C 108.53 3.53 10.47 15.55 113.39 -128.98 -83.09 141.13 75.09 0.62 24.30 53.69 17.09 4.03 21.63 2.96 0.00 0.21 0.38 7 P H H 88.18 4.10 9.99 15.73 98.10 -116.14 -64.99 -33.33 35.19 0.54 64.27 20.65 5.36 9.98 52.37 11.10 0.01 0.29 0.24 8 E H H 128.31 2.43 11.03 14.63 96.35 56.20 -71.36 -30.61 26.97 0.67 72.36 13.60 4.71 9.51 58.90 12.61 0.03 0.39 0.26 9 Q H H 109.33 3.22 10.89 15.45 96.96 56.68 -73.30 -30.16 24.44 1.05 74.51 14.02 4.80 6.91 60.69 12.59 0.03 0.62 0.35 10 M H H 103.04 4.83 9.89 16.20 99.10 60.08 -76.28 -25.80 30.98 1.68 67.34 19.70 5.68 7.80 57.40 7.86 0.03 0.94 0.58 11 L H H 107.10 3.58 10.70 15.70 101.45 56.34 -82.55 -8.68 39.82 2.73 57.46 23.38 7.88 11.37 48.72 6.06 0.07 1.40 1.12 12 E C H 134.79 2.68 10.24 14.44 105.28 72.80 -76.79 98.89 58.29 1.20 40.50 15.34 9.93 33.20 35.24 5.03 0.08 0.58 0.60 13 G C T 56.17 2.34 11.65 15.14 101.55 20.61 81.21 -0.73 74.83 0.69 24.48 19.00 13.86 42.58 19.19 4.64 0.01 0.29 0.43 14 Q C C 119.96 3.54 9.88 15.20 109.29 95.22 -89.21 107.77 83.61 1.55 14.83 54.62 19.98 8.95 10.52 4.31 0.00 0.63 1.00 15 T C C 89.23 4.29 9.38 15.55 114.07 -131.55 -90.16 136.77 83.42 3.01 13.57 66.56 9.97 6.68 8.95 4.67 0.00 1.59 1.58 16 Q C C 128.92 2.87 10.39 15.09 111.76 -119.33 -82.77 131.99 83.72 5.13 11.14 69.29 8.88 5.19 7.36 3.86 0.00 2.80 2.62 17 V C C 107.92 3.57 9.21 14.75 112.28 -153.25 -92.31 124.63 84.14 4.76 11.09 67.06 10.75 6.00 6.99 4.25 0.00 2.73 2.21 18 A C C 74.56 4.00 9.56 15.34 114.45 -134.29 -86.99 139.30 87.78 3.26 8.96 69.61 11.47 6.65 5.09 3.81 0.00 1.84 1.52 19 E C C 139.85 2.75 11.12 15.60 112.54 -132.71 -85.02 133.53 90.15 2.66 7.18 61.38 23.32 5.47 4.22 2.85 0.00 1.15 1.62 20 N C C 88.54 5.87 10.05 17.62 111.28 -138.92 -100.96 111.23 94.59 0.96 4.46 76.24 16.00 2.25 3.35 1.18 0.00 0.39 0.59 21 P C C 82.67 5.38 10.99 18.24 98.40 -155.73 -68.58 -16.78 65.72 1.01 33.27 42.39 7.46 15.84 19.18 14.04 0.00 0.54 0.55 22 H C C 113.22 5.76 10.58 17.70 101.66 66.67 -83.37 -1.43 55.95 2.46 41.60 30.15 9.34 16.94 22.87 18.09 0.04 1.23 1.34 23 S H C 66.15 4.87 10.57 16.99 104.18 96.06 -80.77 -6.76 47.36 2.22 50.42 26.71 8.92 12.18 23.54 26.50 0.03 1.18 0.94 24 E C H 141.68 2.33 11.99 15.35 98.05 62.40 -76.36 -17.94 50.28 1.96 47.76 17.29 11.29 22.07 24.00 23.20 0.11 0.99 1.04 25 Y C T 145.87 4.34 11.33 16.98 102.36 47.14 -97.61 8.62 62.72 1.70 35.58 14.65 15.70 32.89 16.77 17.93 0.11 0.78 1.17 26 G C C 44.43 4.31 13.42 18.90 115.15 -111.16 81.06 161.52 90.11 2.21 7.68 41.77 23.38 25.61 3.24 3.76 0.00 0.94 1.30 27 L C C 75.59 10.52 9.12 20.20 116.24 -101.51 -88.73 137.69 90.91 4.12 4.98 75.36 12.27 2.60 3.94 1.27 0.00 1.58 2.99 28 T C C 66.45 4.15 13.42 18.90 115.45 -116.84 -75.54 157.39 90.49 1.02 8.49 83.80 4.08 2.16 8.19 0.85 0.00 0.41 0.51 29 D H H 109.54 2.25 12.70 16.06 93.77 -109.57 -61.20 -36.92 20.20 0.22 79.58 8.75 4.64 7.65 76.80 1.95 0.01 0.09 0.10 30 N H H 103.91 1.87 14.16 16.15 93.17 53.43 -66.87 -36.49 14.02 0.16 85.81 5.30 2.31 6.78 83.64 1.81 0.02 0.08 0.07 31 V H H 55.35 6.90 12.41 21.06 92.97 50.67 -66.61 -40.12 4.99 0.12 94.89 2.74 0.75 1.82 93.29 1.29 0.00 0.06 0.03 32 E H H 90.61 5.10 14.26 20.83 92.40 52.92 -64.37 -40.57 1.77 0.04 98.19 0.92 0.24 0.66 97.69 0.47 0.00 0.02 0.00 33 R H H 135.95 1.86 16.67 17.93 92.20 50.34 -65.46 -40.58 1.30 0.03 98.67 0.56 0.16 0.56 98.40 0.30 0.00 0.02 0.00 34 I H H 80.87 3.60 16.11 20.45 92.43 49.77 -65.27 -42.09 1.06 0.02 98.92 0.41 0.13 0.48 98.74 0.22 0.00 0.01 0.00 35 V H H 56.41 5.99 14.82 22.40 92.38 49.32 -64.89 -42.01 1.07 0.02 98.91 0.37 0.12 0.50 98.81 0.18 0.00 0.01 0.00 36 E H H 99.49 2.81 16.79 19.90 92.06 50.20 -64.28 -41.12 1.36 0.01 98.63 0.35 0.13 0.72 98.59 0.19 0.00 0.00 0.00 37 N H H 86.12 2.28 16.25 18.42 92.36 49.76 -65.59 -39.74 2.24 0.02 97.74 0.55 0.23 1.26 97.67 0.28 0.00 0.01 0.00 38 E H H 90.50 4.08 14.89 20.01 92.83 51.09 -66.35 -39.70 2.73 0.03 97.24 0.75 0.33 1.47 97.06 0.37 0.01 0.01 0.01 39 K H H 112.57 3.14 15.27 19.08 92.84 51.29 -66.05 -39.93 3.97 0.06 95.98 1.33 0.52 2.02 95.53 0.56 0.01 0.03 0.01 40 I H H 93.68 2.36 14.99 17.61 93.03 50.04 -65.75 -40.40 5.60 0.08 94.32 1.92 0.80 2.85 93.54 0.82 0.01 0.04 0.03 41 N H H 91.33 2.55 14.24 17.34 93.92 50.26 -67.25 -37.16 9.48 0.11 90.41 3.26 1.28 4.88 89.26 1.22 0.01 0.05 0.04 42 A H H 59.42 3.80 12.45 17.62 94.58 54.29 -68.41 -34.58 14.49 0.16 85.36 4.98 2.38 7.39 83.15 1.92 0.02 0.08 0.07 43 E H H 123.45 2.35 12.86 15.93 96.03 54.49 -74.10 -29.29 22.20 0.28 77.52 8.53 4.18 10.13 74.74 2.15 0.02 0.12 0.13 44 K H H 133.50 2.50 11.49 15.11 100.63 61.00 -78.65 -16.76 35.75 0.43 63.81 16.03 7.04 13.25 60.62 2.64 0.02 0.17 0.22 45 S H H 68.14 3.85 9.75 15.21 103.51 72.48 -77.49 -17.53 49.57 0.55 49.87 27.83 7.88 14.06 45.66 4.01 0.01 0.23 0.30 46 S C H 83.68 2.12 10.46 13.77 100.50 64.13 -81.84 -5.01 52.69 0.64 46.66 27.18 10.27 16.15 39.30 6.44 0.01 0.27 0.36 47 K C H 141.08 2.51 9.84 13.81 104.52 69.56 -86.13 39.36 54.47 0.80 44.73 26.67 12.92 15.98 35.90 7.71 0.03 0.33 0.46 48 Q C C 119.33 3.47 9.74 14.94 107.45 69.77 -82.35 107.38 60.38 1.04 38.58 37.17 10.54 12.91 31.44 6.91 0.01 0.48 0.55 49 K C C 140.31 3.05 10.85 15.54 106.40 -129.66 -86.79 48.04 63.22 2.01 34.78 41.64 11.28 10.32 29.11 5.72 0.01 0.94 0.98 50 V C C 83.33 5.84 9.72 17.22 112.78 76.35 -90.62 126.21 66.02 2.73 31.25 45.40 12.75 7.58 26.94 4.79 0.01 1.30 1.23 51 D C C 91.96 3.17 13.31 17.40 106.46 -134.73 -82.07 98.95 73.59 1.86 24.55 62.20 5.14 6.21 19.53 5.02 0.00 0.93 0.96 52 L H G 80.02 10.08 9.34 20.05 95.66 99.67 -70.62 -23.78 40.64 1.10 58.25 21.58 6.01 13.34 17.48 40.52 0.00 0.66 0.41 53 Q H G 129.99 2.73 12.14 16.28 94.46 67.63 -70.47 -18.35 44.77 0.65 54.58 8.67 6.85 28.52 14.17 41.08 0.02 0.35 0.35 54 S H G 88.69 1.31 13.28 14.47 96.21 56.93 -86.62 -6.33 49.00 0.63 50.36 10.54 9.32 29.60 8.44 41.40 0.01 0.32 0.37 55 L C S 59.37 10.40 7.61 18.99 118.04 99.36 -85.11 141.42 98.24 0.47 1.29 20.67 76.96 0.81 0.86 0.21 0.00 0.11 0.38 56 P C C 79.87 2.51 15.33 18.04 111.90 -104.06 -64.90 146.38 95.00 1.11 3.88 91.97 2.06 1.19 3.23 0.47 0.00 0.39 0.70 57 T H H 77.23 8.46 11.81 21.42 93.64 -114.74 -60.89 -36.38 18.04 0.25 81.71 9.81 4.47 5.07 79.02 1.40 0.01 0.09 0.12 58 R H H 138.45 3.80 15.30 20.16 93.10 56.38 -65.41 -39.09 4.71 0.07 95.21 1.65 0.82 2.27 94.17 1.02 0.01 0.03 0.02 59 A H H 46.10 3.60 16.33 20.93 92.18 52.25 -64.87 -41.04 2.06 0.07 97.86 0.95 0.32 0.89 96.73 1.05 0.01 0.04 0.01 60 Y H H 59.20 10.32 14.38 26.15 92.17 50.40 -64.60 -42.49 1.06 0.03 98.90 0.39 0.16 0.54 98.21 0.66 0.01 0.02 0.01 61 L H H 54.72 11.62 14.70 27.05 92.20 49.05 -65.19 -41.04 0.95 0.03 99.02 0.23 0.12 0.58 98.66 0.36 0.02 0.01 0.01 62 D H H 85.27 4.74 17.15 22.55 93.78 45.18 -72.20 -37.81 1.64 0.01 98.34 0.15 0.14 1.33 98.04 0.30 0.03 0.00 0.01 63 Q H H 111.12 2.81 18.50 21.42 101.13 33.09 -92.60 -36.66 8.89 0.01 91.10 0.10 0.29 9.36 89.85 0.35 0.04 0.00 0.01 64 T C T 55.89 7.77 17.50 26.35 108.62 25.19 -107.41 -41.04 70.78 0.04 29.18 0.21 1.78 67.25 30.19 0.51 0.01 0.01 0.04 65 V H H 27.08 15.87 16.28 32.48 100.36 34.44 -87.03 -42.12 20.59 0.05 79.36 0.37 1.39 18.66 78.97 0.48 0.07 0.01 0.04 66 V H H 48.10 10.22 18.24 29.44 91.72 52.70 -62.19 -44.26 0.63 0.00 99.37 0.09 0.05 0.33 99.40 0.13 0.00 0.00 0.00 67 P H H 62.21 4.17 21.25 25.63 91.38 50.05 -63.73 -40.93 0.25 0.00 99.75 0.03 0.01 0.15 99.65 0.16 0.00 0.00 0.00 68 I H H 48.06 11.20 19.71 31.51 91.95 48.93 -64.96 -42.15 0.06 0.00 99.94 0.00 0.00 0.04 99.88 0.08 0.00 0.00 0.00 69 L H H 39.69 16.18 19.08 34.79 91.75 49.73 -64.24 -42.09 0.07 0.00 99.93 0.00 0.00 0.04 99.92 0.03 0.00 0.00 0.00 70 L H H 75.59 7.26 22.07 29.61 91.56 49.75 -64.32 -41.69 0.21 0.00 99.79 0.01 0.01 0.15 99.80 0.03 0.00 0.00 0.00 71 Q H H 92.59 4.34 23.96 28.09 91.78 49.62 -64.82 -41.21 0.33 0.00 99.67 0.02 0.01 0.24 99.71 0.02 0.00 0.00 0.00 72 G H H 10.66 15.27 18.56 34.56 91.78 51.48 -63.03 -42.97 0.32 0.00 99.68 0.03 0.01 0.21 99.72 0.04 0.00 0.00 0.00 73 L H H 48.67 13.96 20.24 33.95 91.49 50.12 -63.38 -41.19 0.23 0.00 99.77 0.02 0.01 0.16 99.76 0.05 0.00 0.00 0.00 74 A H H 49.18 4.41 22.46 26.84 91.41 50.84 -63.65 -42.26 0.52 0.00 99.48 0.03 0.03 0.43 99.42 0.09 0.00 0.00 0.00 75 V H H 51.11 6.34 20.83 28.19 91.70 49.21 -64.34 -42.29 0.74 0.00 99.26 0.08 0.08 0.57 99.11 0.14 0.00 0.00 0.00 76 L H H 22.02 15.58 15.24 31.75 91.73 50.30 -64.05 -41.94 0.52 0.00 99.48 0.07 0.05 0.36 99.14 0.37 0.00 0.00 0.00 77 A H H 45.93 9.19 15.91 26.07 91.74 51.37 -64.71 -39.21 1.32 0.00 98.67 0.08 0.08 1.10 98.14 0.59 0.00 0.00 0.00 78 K H H 150.21 1.35 17.99 18.39 92.52 48.12 -68.26 -35.57 5.94 0.00 94.06 0.14 0.27 5.63 93.40 0.54 0.01 0.00 0.00 79 E H H 106.61 4.71 15.24 20.85 97.52 39.79 -91.59 -7.90 19.12 0.07 80.81 1.42 3.31 14.27 80.33 0.56 0.04 0.02 0.06 80 R C C 146.14 6.72 15.17 23.73 97.42 -135.96 54.33 54.70 99.73 0.17 0.10 65.17 33.79 0.76 0.06 0.04 0.00 0.04 0.14 81 P C C 34.65 14.38 9.87 24.80 117.80 -143.60 -68.96 150.17 99.72 0.11 0.17 96.83 2.36 0.55 0.03 0.11 0.00 0.03 0.09 82 P C S 116.10 1.40 16.53 17.63 92.10 -118.39 -63.67 -28.07 99.75 0.07 0.18 2.88 81.37 15.58 0.02 0.08 0.00 0.03 0.02 83 N C C 74.25 6.15 15.50 23.12 109.32 30.41 -127.33 76.33 99.41 0.28 0.31 53.07 37.96 8.36 0.14 0.15 0.00 0.10 0.23 84 P H H 34.47 15.77 12.96 29.53 92.87 172.32 -61.59 -35.29 4.14 0.02 95.84 1.92 0.46 1.70 95.01 0.88 0.00 0.01 0.01 85 I H H 65.05 12.00 17.87 30.08 91.68 55.11 -63.81 -40.14 0.67 0.00 99.33 0.06 0.04 0.47 98.85 0.58 0.00 0.00 0.00 86 E H H 104.98 3.63 21.63 25.16 91.85 50.08 -65.45 -40.90 0.12 0.00 99.88 0.01 0.01 0.08 99.55 0.35 0.00 0.00 0.00 87 F H H 54.44 10.28 18.62 30.13 91.62 49.97 -64.36 -42.52 0.05 0.00 99.95 0.00 0.00 0.03 99.86 0.10 0.00 0.00 0.00 88 L H H 30.27 16.38 18.55 34.99 91.55 49.49 -64.29 -42.23 0.07 0.00 99.93 0.00 0.00 0.04 99.91 0.04 0.00 0.00 0.00 89 A H H 34.77 8.61 19.35 29.10 91.22 51.28 -62.99 -42.20 0.14 0.00 99.86 0.01 0.00 0.10 99.85 0.04 0.00 0.00 0.00 90 S H H 51.03 3.74 21.70 25.30 91.40 50.15 -64.17 -41.78 0.30 0.00 99.70 0.01 0.01 0.22 99.67 0.08 0.00 0.00 0.00 91 Y H H 49.78 11.72 18.31 31.16 91.69 50.10 -63.98 -42.51 0.34 0.00 99.66 0.02 0.01 0.25 99.51 0.21 0.00 0.00 0.00 92 L H H 42.19 14.05 16.30 30.88 91.63 50.45 -63.70 -41.62 0.72 0.00 99.28 0.05 0.03 0.55 99.01 0.35 0.00 0.00 0.00 93 L H H 92.07 4.24 18.40 22.86 91.88 50.14 -65.74 -39.37 2.68 0.00 97.32 0.19 0.16 2.17 96.83 0.65 0.00 0.00 0.00 94 K H H 128.01 2.36 18.35 20.44 92.21 49.75 -69.02 -32.13 15.10 0.03 84.87 0.73 1.03 13.08 84.13 0.98 0.02 0.01 0.02 95 N H H 44.64 11.46 12.72 25.40 98.92 43.76 -96.30 0.20 46.16 0.14 53.70 7.80 3.48 33.22 53.29 2.05 0.01 0.05 0.10 96 K H H 94.88 8.27 13.69 23.33 92.67 92.76 -60.30 -42.13 9.28 0.08 90.63 3.13 1.25 4.68 80.03 10.82 0.01 0.04 0.03 97 A H H 63.24 1.80 16.44 17.67 91.76 51.53 -64.14 -39.06 7.35 0.07 92.58 1.69 0.77 4.30 80.25 12.91 0.01 0.05 0.02 98 Q H H 90.56 3.86 14.86 19.73 92.43 50.72 -66.86 -38.43 7.43 0.12 92.45 2.13 0.93 3.92 79.69 13.21 0.01 0.08 0.03 99 F H H 68.76 9.65 10.58 21.54 93.44 51.63 -68.08 -36.69 13.39 0.37 86.23 6.07 2.59 5.59 78.26 7.12 0.02 0.21 0.14 100 E H H 125.57 2.35 12.38 15.57 94.29 54.13 -70.38 -31.09 27.18 0.56 72.25 12.31 4.15 11.66 67.58 3.75 0.02 0.28 0.25 101 D H H 110.33 1.53 10.77 12.82 98.21 55.69 -81.07 -4.60 45.43 0.47 54.10 18.46 5.48 21.83 50.71 3.05 0.02 0.19 0.26 102 R C C 153.50 3.62 8.17 13.45 102.58 79.68 -83.53 8.58 68.70 0.40 30.89 44.91 2.49 20.12 30.28 1.80 0.00 0.16 0.24 103 N C C 120.19 2.24 10.98 14.62 103.57 115.77 -85.09 52.83 99.87 0.03 0.10 99.47 0.16 0.27 0.08 0.01 0.00 0.01 0.01