# 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 93.63 8.79 14.12 23.57 112.04 -157.58 -85.35 131.70 99.78 0.09 0.12 99.71 0.08 0.06 0.08 0.01 0.00 0.04 0.02 1 A C C 63.81 6.09 13.54 20.71 105.53 -113.90 -72.66 111.94 50.09 1.42 48.49 44.62 1.33 5.26 44.53 2.95 0.00 0.73 0.57 2 A H H 61.17 7.43 11.61 20.25 98.05 42.32 -68.85 -35.03 32.67 1.47 65.85 21.26 5.47 8.03 57.41 6.46 0.02 0.87 0.48 3 A H H 63.16 5.23 13.42 19.98 97.52 56.12 -69.27 -33.24 25.24 1.70 73.06 16.55 4.31 6.47 62.20 8.82 0.03 1.15 0.47 4 A H H 60.37 5.59 14.32 21.17 96.62 55.38 -69.08 -35.08 21.11 1.60 77.29 13.47 3.94 5.83 66.49 8.72 0.03 1.09 0.43 5 A H H 49.65 9.81 12.83 23.54 96.79 56.26 -72.88 -29.64 22.98 2.01 75.02 13.43 4.49 7.41 65.29 7.39 0.06 1.38 0.55 6 S H H 61.56 8.05 14.44 23.41 98.51 64.08 -77.46 -18.53 28.93 2.77 68.30 15.06 5.72 10.49 59.86 6.14 0.10 1.87 0.76 7 R H H 148.37 4.34 15.49 21.05 102.76 61.95 -85.28 3.18 36.28 3.38 60.33 16.86 8.10 13.70 52.88 5.18 0.16 2.10 1.01 8 A C H 58.23 7.91 13.87 22.81 107.24 76.31 -82.89 83.71 48.43 3.25 48.32 25.27 11.24 13.68 41.80 5.03 0.09 1.86 1.04 9 V C H 77.95 9.39 13.97 23.99 103.66 59.41 -80.15 1.06 53.06 4.11 42.82 20.88 10.78 22.56 34.30 7.33 0.23 2.42 1.51 10 G C T 40.17 8.10 15.72 24.38 103.80 40.22 -26.25 -24.42 63.63 2.10 34.27 24.98 11.32 28.27 23.86 9.42 0.07 1.11 0.98 11 A C C 57.25 9.76 13.89 24.25 101.92 63.26 -76.99 -14.74 63.42 2.56 34.01 29.25 13.27 21.42 18.91 14.52 0.06 1.32 1.25 12 K C C 127.28 5.90 17.05 24.02 101.17 71.16 -80.12 8.47 67.43 3.69 28.87 32.07 14.32 21.80 14.54 13.59 0.06 1.97 1.64 13 L C C 72.05 12.59 16.03 28.40 102.79 79.82 -83.06 11.95 76.77 4.11 19.12 37.46 18.44 21.88 7.85 10.43 0.02 2.38 1.54 14 G C C 35.15 8.60 21.37 30.05 100.30 -96.56 82.90 5.35 91.16 4.83 4.01 55.45 13.42 22.61 0.94 2.88 0.00 3.77 0.92 15 L C C 17.92 22.90 12.86 35.11 113.88 134.62 -84.38 129.17 77.95 21.43 0.63 73.11 3.17 0.82 0.14 0.40 0.00 21.25 1.11 16 R C C 117.84 7.29 23.23 30.84 101.25 175.15 -95.34 -28.70 65.84 33.84 0.32 45.09 19.20 1.10 0.06 0.26 0.00 33.59 0.70 17 E E E 58.67 11.39 23.94 35.58 132.68 13.63 -141.80 143.12 10.76 89.00 0.24 8.73 1.78 0.27 0.05 0.16 0.00 88.77 0.24 18 I E E 5.54 25.48 18.05 44.08 121.81 -160.19 -117.19 129.52 2.16 97.82 0.02 1.90 0.10 0.01 0.00 0.01 0.00 97.93 0.04 19 R E E 66.31 11.73 27.37 39.52 119.55 -164.63 -113.99 127.07 0.55 99.45 0.00 0.47 0.02 0.00 0.00 0.00 0.00 99.50 0.01 20 V E E 3.30 25.84 20.19 46.77 119.24 -163.89 -112.03 126.52 0.28 99.72 0.00 0.25 0.00 0.00 0.00 0.00 0.00 99.74 0.01 21 H E E 37.60 13.60 27.84 41.98 114.90 -162.91 -107.75 121.21 1.28 98.72 0.00 1.16 0.04 0.00 0.00 0.00 0.00 98.74 0.05 22 L E E 7.11 24.16 20.11 44.12 124.24 -169.07 -110.94 142.43 23.23 76.75 0.02 21.41 0.88 0.04 0.00 0.01 0.00 77.06 0.58 23 C C C 15.46 15.92 20.68 37.31 114.01 -133.79 -94.41 127.45 86.34 13.59 0.06 85.61 1.25 0.18 0.01 0.04 0.00 12.07 0.84 24 Q C S 80.59 12.46 18.62 31.22 97.05 -154.49 -77.60 -11.92 98.72 1.01 0.26 15.01 53.69 30.18 0.04 0.23 0.00 0.63 0.22 25 R C S 153.96 3.52 19.24 23.24 99.92 61.59 -91.07 -8.28 99.26 0.38 0.36 6.82 67.08 25.47 0.05 0.23 0.00 0.16 0.20 26 S C S 35.43 10.60 13.06 25.06 126.26 78.39 -108.63 150.93 99.28 0.39 0.33 39.42 59.25 0.61 0.12 0.13 0.00 0.09 0.38 27 P H G 103.26 2.83 18.00 21.53 92.85 -114.83 -61.48 -29.10 18.74 0.06 81.20 1.20 1.71 14.40 2.90 79.72 0.00 0.03 0.02 28 G H G 25.41 12.66 16.30 29.59 91.50 62.22 -69.67 -20.54 16.76 0.06 83.18 0.95 1.26 13.36 3.54 80.85 0.00 0.03 0.01 29 S H G 7.85 21.54 13.07 34.94 95.54 56.64 -92.00 -2.73 16.23 0.13 83.64 6.11 2.19 6.74 5.80 79.05 0.00 0.08 0.03 30 Q H H 98.07 6.18 22.21 29.64 92.88 97.15 -60.73 -39.72 5.20 0.01 94.80 0.98 0.68 3.38 93.47 1.47 0.00 0.00 0.01 31 G H H 24.40 8.32 23.03 32.07 92.28 48.86 -62.95 -41.14 2.94 0.00 97.05 0.20 0.23 2.45 96.21 0.90 0.01 0.00 0.00 32 V H H 5.14 24.50 18.67 43.01 92.00 50.58 -65.43 -42.30 0.62 0.00 99.38 0.10 0.05 0.37 99.00 0.48 0.00 0.00 0.00 33 R H H 68.78 16.33 21.54 36.68 91.56 52.77 -61.97 -42.59 0.21 0.00 99.79 0.03 0.02 0.11 99.74 0.10 0.00 0.00 0.00 34 D H H 76.43 2.93 25.49 27.49 91.34 49.90 -63.72 -41.89 0.36 0.00 99.64 0.04 0.02 0.20 99.67 0.06 0.00 0.00 0.00 35 F H H 20.39 15.85 19.89 36.52 91.72 50.54 -63.75 -43.68 0.45 0.00 99.55 0.04 0.03 0.29 99.57 0.07 0.00 0.00 0.00 36 I H H 4.93 25.02 16.25 41.37 91.64 48.22 -64.21 -42.80 0.83 0.00 99.17 0.07 0.06 0.60 99.15 0.12 0.00 0.00 0.00 37 V H H 76.91 8.21 20.16 28.63 93.82 44.76 -69.93 -39.05 2.71 0.00 97.29 0.09 0.11 2.52 96.99 0.29 0.00 0.00 0.00 38 Q H H 112.84 2.36 21.23 22.79 99.50 34.27 -87.56 -36.08 17.27 0.01 82.73 0.15 0.46 17.77 80.93 0.67 0.02 0.00 0.01 39 R H H 69.88 13.20 17.75 31.03 104.67 24.19 -108.36 -26.60 46.62 0.03 53.35 0.53 1.31 43.79 53.42 0.90 0.01 0.01 0.02 40 Y H H 13.84 23.47 15.03 37.95 93.81 59.41 -65.80 -43.46 6.82 0.05 93.13 1.72 0.83 3.97 92.40 1.04 0.00 0.02 0.02 41 V H H 60.58 6.69 20.38 27.92 91.92 51.70 -62.83 -41.69 1.01 0.00 98.99 0.23 0.09 0.54 98.79 0.36 0.00 0.00 0.00 42 E H H 99.33 2.85 22.71 24.68 91.98 49.83 -64.72 -40.78 0.38 0.00 99.62 0.07 0.03 0.22 99.40 0.29 0.00 0.00 0.00 43 L H H 11.42 18.97 15.08 34.58 92.15 50.28 -64.94 -41.93 0.19 0.00 99.81 0.02 0.01 0.12 99.64 0.21 0.00 0.00 0.00 44 K H H 69.37 14.82 14.81 29.33 91.68 52.76 -64.13 -36.63 0.54 0.00 99.46 0.05 0.03 0.39 99.27 0.27 0.00 0.00 0.00 45 K H H 154.55 1.19 18.51 18.61 92.37 50.96 -66.94 -35.92 3.12 0.00 96.88 0.07 0.11 2.91 96.61 0.29 0.00 0.00 0.00 46 A H H 65.09 4.70 16.33 21.86 95.49 42.54 -79.04 -30.35 7.03 0.01 92.96 0.16 0.66 6.17 92.80 0.19 0.01 0.00 0.01 47 H C C 47.76 13.36 11.28 25.42 113.40 21.99 -133.92 78.85 99.83 0.11 0.07 83.78 15.80 0.20 0.05 0.02 0.00 0.02 0.13 48 P C T 89.23 5.93 13.72 22.03 92.69 174.38 -65.40 -20.66 99.65 0.05 0.29 1.22 2.68 95.82 0.02 0.22 0.00 0.03 0.02 49 N C T 125.36 1.57 18.91 20.08 92.62 59.40 -85.81 -3.96 99.78 0.05 0.17 0.54 3.71 95.55 0.01 0.15 0.00 0.03 0.01 50 L C S 17.40 21.38 10.78 31.87 115.79 102.57 -83.66 130.90 99.29 0.69 0.02 20.58 78.80 0.15 0.00 0.01 0.00 0.33 0.12 51 P C C 59.53 6.40 24.56 31.41 113.14 -120.97 -69.77 139.30 95.89 4.11 0.00 95.26 0.97 0.02 0.00 0.00 0.00 3.60 0.15 52 I E E 20.00 24.28 13.41 37.48 121.39 -157.85 -116.36 129.76 6.71 93.29 0.00 6.50 0.19 0.00 0.00 0.00 0.00 92.83 0.47 53 L E E 56.25 8.95 24.95 34.42 118.52 -163.64 -109.96 129.65 0.46 99.54 0.00 0.44 0.01 0.00 0.00 0.00 0.00 99.54 0.01 54 I E E 49.45 20.57 16.04 35.49 120.66 -159.50 -112.17 129.08 0.30 99.70 0.00 0.30 0.00 0.00 0.00 0.00 0.00 99.69 0.00 55 R E E 95.16 8.18 22.20 31.12 129.75 173.85 -132.89 144.05 0.50 99.50 0.00 0.51 0.01 0.00 0.00 0.00 0.00 99.46 0.02 56 E E E 100.46 10.48 18.25 29.17 115.11 -126.37 -81.35 134.17 4.56 95.44 0.00 4.43 0.12 0.01 0.00 0.00 0.00 95.23 0.22 57 C C C 24.50 17.33 11.71 28.89 120.84 -166.96 -118.20 135.71 73.65 26.22 0.13 72.63 0.91 0.17 0.02 0.09 0.00 25.44 0.75 58 S C C 78.65 3.33 16.68 21.02 102.95 -161.66 -91.26 -11.35 92.85 6.52 0.63 35.08 31.73 26.43 0.06 0.73 0.00 5.23 0.73 59 E C S 147.51 1.98 17.57 19.36 101.29 28.09 -95.11 19.92 96.84 2.75 0.41 15.68 52.36 28.92 0.03 0.51 0.00 2.13 0.39 60 V C C 44.77 14.59 12.81 27.75 119.65 107.20 -101.58 135.45 94.38 5.46 0.16 73.41 20.81 0.62 0.04 0.15 0.00 2.99 2.00 61 Q C C 84.21 8.26 22.54 30.99 117.86 -138.46 -95.86 141.58 96.89 3.09 0.02 88.21 8.71 0.23 0.00 0.02 0.00 2.46 0.36 62 P C C 15.11 21.78 16.25 38.01 114.22 -104.08 -68.91 143.49 92.35 7.63 0.02 81.88 9.93 0.21 0.00 0.02 0.00 7.63 0.32 63 K E E 66.39 11.66 25.48 37.31 132.48 -167.78 -134.51 147.36 3.38 96.62 0.00 3.19 0.15 0.00 0.00 0.00 0.00 96.37 0.29 64 L E E 5.07 25.26 18.47 44.44 121.20 -151.56 -112.08 132.63 0.46 99.54 0.00 0.44 0.02 0.00 0.00 0.00 0.00 99.53 0.01 65 W E E 56.75 11.28 26.22 38.27 122.19 -164.19 -114.64 135.17 0.08 99.92 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.92 0.00 66 A E E 3.70 24.05 17.18 41.68 131.15 -173.91 -131.21 149.41 0.06 99.94 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.95 0.00 67 R E E 74.62 8.87 23.40 33.15 116.88 -139.58 -105.78 126.14 0.17 99.83 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.82 0.02 68 Y C C 25.11 17.78 13.40 31.58 124.37 -153.68 -92.97 165.48 58.11 41.83 0.06 58.33 0.37 0.06 0.01 0.03 0.00 40.63 0.57 69 A C T 61.84 8.44 15.15 24.68 92.33 -98.80 -63.16 -25.17 98.30 0.34 1.36 0.22 2.44 95.79 0.01 1.31 0.00 0.19 0.04 70 F C T 137.46 3.37 14.83 18.99 95.62 54.26 -88.36 4.60 98.53 0.06 1.41 0.16 1.97 96.44 0.02 1.37 0.00 0.03 0.02 71 G C S 45.62 4.28 14.24 19.77 101.78 -97.01 92.58 2.97 98.86 0.34 0.80 18.37 77.49 3.09 0.09 0.63 0.00 0.18 0.14 72 Q C C 100.79 3.86 15.32 20.67 117.00 135.28 -79.00 143.67 97.19 2.79 0.02 97.12 0.61 0.04 0.01 0.01 0.00 1.93 0.29 73 E E E 103.57 11.04 12.75 24.86 123.71 -152.46 -114.43 138.22 1.51 98.48 0.00 1.44 0.05 0.00 0.00 0.00 0.00 98.35 0.16 74 K E E 80.56 9.12 17.90 28.31 130.62 -176.84 -135.13 146.03 0.24 99.76 0.00 0.20 0.01 0.00 0.00 0.00 0.00 99.79 0.00 75 T E E 73.37 11.54 16.72 29.11 124.06 -152.94 -118.83 135.60 0.31 99.69 0.00 0.26 0.01 0.00 0.00 0.00 0.00 99.73 0.00 76 V E E 27.94 15.33 17.29 33.52 126.67 -174.83 -130.48 136.09 0.85 99.15 0.00 0.77 0.03 0.00 0.00 0.00 0.00 99.18 0.02 77 S E E 55.45 6.67 23.29 30.26 113.09 -118.67 -74.92 133.70 6.59 93.39 0.01 6.27 0.23 0.02 0.00 0.01 0.00 93.27 0.20 78 L C C 6.88 24.90 13.11 38.73 99.08 -167.04 -96.80 -0.19 87.82 6.59 5.59 71.72 6.97 8.47 0.60 5.78 0.00 5.39 1.07 79 N C T 75.29 10.76 18.55 29.66 111.42 111.57 -70.34 130.61 95.53 0.75 3.72 2.67 8.14 84.50 0.25 3.69 0.00 0.46 0.28 80 N C T 125.37 2.10 20.77 22.50 94.41 11.40 66.17 20.63 96.98 0.40 2.62 4.15 9.67 82.71 0.14 2.96 0.00 0.26 0.13 81 L C C 30.27 17.53 10.95 28.47 121.04 132.73 -90.01 145.23 97.55 2.30 0.15 75.68 21.75 0.20 0.07 0.07 0.00 0.72 1.52 82 S C C 52.02 3.22 23.28 25.52 121.44 -123.54 -79.86 161.36 98.28 1.63 0.09 97.93 0.56 0.04 0.06 0.01 0.00 0.29 1.11 83 A H H 33.49 18.09 13.65 31.30 91.56 -106.59 -57.68 -38.87 0.73 0.00 99.26 0.07 0.07 0.46 99.20 0.20 0.00 0.00 0.00 84 D H H 101.83 2.15 21.31 23.10 91.43 53.21 -63.62 -39.70 0.30 0.00 99.70 0.02 0.01 0.20 99.56 0.20 0.00 0.00 0.00 85 E H H 83.78 6.12 21.31 27.87 91.84 48.75 -65.89 -40.20 0.10 0.00 99.90 0.01 0.00 0.06 99.78 0.14 0.00 0.00 0.00 86 V H H 2.99 25.21 15.73 41.41 91.46 50.26 -63.53 -44.21 0.06 0.00 99.94 0.01 0.00 0.03 99.94 0.02 0.00 0.00 0.00 87 T H H 30.52 14.96 20.98 35.87 91.36 50.60 -62.55 -42.77 0.08 0.00 99.92 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 88 R H H 136.78 2.00 25.97 26.44 91.62 50.09 -63.90 -41.49 0.08 0.00 99.92 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 89 A H H 14.92 14.27 20.86 35.91 91.61 49.95 -63.88 -42.79 0.07 0.00 99.93 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 90 M H H 4.72 25.67 17.98 43.80 91.58 50.09 -63.44 -42.83 0.11 0.00 99.89 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 91 Q H H 83.11 8.75 22.26 31.27 91.26 50.72 -63.00 -41.22 0.32 0.00 99.68 0.03 0.02 0.20 99.70 0.05 0.00 0.00 0.00 92 N H H 89.96 2.83 23.69 25.72 91.80 49.57 -65.23 -40.67 1.50 0.00 98.49 0.13 0.08 1.09 98.53 0.16 0.00 0.00 0.00 93 V H H 17.79 18.07 17.00 35.20 92.27 49.57 -65.50 -41.35 3.94 0.02 96.05 0.40 0.29 2.93 96.02 0.35 0.00 0.01 0.01 94 L H H 38.15 17.54 15.79 32.86 92.94 49.95 -69.05 -31.89 13.12 0.10 86.78 1.78 1.50 9.35 86.58 0.67 0.02 0.03 0.05 95 S H H 82.06 2.33 18.28 20.56 95.91 53.27 -83.72 -8.27 45.76 0.46 53.78 7.41 6.59 30.94 53.35 1.25 0.04 0.16 0.26 96 G C T 40.59 7.87 11.73 20.69 114.46 90.75 -79.63 154.19 77.22 1.64 21.13 28.24 19.93 28.63 19.31 2.42 0.02 0.67 0.78 97 K C C 147.33 2.86 13.49 17.96 112.49 -116.08 -89.54 128.09 90.51 2.69 6.81 79.26 2.31 9.00 5.39 1.20 0.00 1.34 1.50 98 A C C 63.90 9.44 11.62 21.83 110.58 -120.45 -75.43 133.88 99.93 0.05 0.01 99.88 0.06 0.03 0.01 0.00 0.00 0.02 0.00