# 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 78.77 8.59 15.82 25.09 103.42 141.91 -91.73 39.88 97.54 0.65 1.81 96.72 0.36 0.54 1.71 0.12 0.00 0.24 0.30 1 W H H 92.52 10.72 10.92 22.43 94.74 103.62 -66.42 -35.93 25.70 0.85 73.45 10.84 2.88 11.91 52.09 21.35 0.05 0.43 0.44 2 R H H 144.47 4.33 11.67 17.60 93.15 54.88 -65.70 -37.32 18.74 0.54 80.71 3.57 2.43 11.24 46.88 35.28 0.08 0.32 0.20 3 S H H 86.93 1.73 12.46 14.90 92.66 55.05 -70.41 -23.98 21.17 0.36 78.47 2.51 2.35 14.04 43.48 37.15 0.09 0.20 0.18 4 S H T 62.95 5.43 11.16 18.26 95.19 54.44 -87.05 -2.28 46.89 0.19 52.93 1.35 3.26 41.81 23.41 29.85 0.04 0.09 0.19 5 G C T 56.35 1.96 15.77 17.56 96.34 -105.52 85.31 8.32 99.66 0.04 0.30 3.90 3.13 92.74 0.09 0.11 0.00 0.02 0.01 6 V C C 38.52 13.75 8.99 23.23 118.03 133.66 -90.68 139.11 98.47 1.44 0.09 95.37 2.89 0.17 0.04 0.03 0.00 0.41 1.09 7 S C C 50.16 3.92 19.56 23.42 122.37 -136.80 -87.07 163.70 98.52 1.35 0.13 97.82 0.76 0.05 0.09 0.01 0.00 0.27 0.99 8 F H H 90.02 13.70 14.01 27.73 91.44 -108.15 -59.64 -38.43 1.46 0.00 98.53 0.20 0.20 0.89 98.52 0.18 0.00 0.00 0.00 9 T H H 77.44 5.45 18.67 24.84 92.02 52.69 -64.68 -40.87 0.67 0.00 99.33 0.05 0.04 0.50 99.23 0.19 0.00 0.00 0.00 10 R H H 120.28 4.38 20.76 25.34 92.28 48.13 -66.29 -40.70 0.21 0.00 99.79 0.02 0.01 0.14 99.69 0.14 0.00 0.00 0.00 11 Y H H 37.53 15.96 17.59 33.77 91.91 50.07 -64.14 -42.65 0.06 0.00 99.94 0.00 0.00 0.04 99.93 0.03 0.00 0.00 0.00 12 A H H 22.95 15.25 18.91 34.31 91.84 50.94 -63.71 -41.95 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 13 S H H 52.08 6.23 23.06 29.53 91.77 50.39 -64.64 -41.44 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 14 E H H 74.59 7.68 23.66 31.71 91.86 49.33 -64.97 -42.14 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 15 M H H 29.23 17.06 20.81 37.64 92.21 49.53 -64.81 -42.33 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 16 A H H 20.53 14.61 20.07 35.10 91.51 51.48 -63.29 -41.64 0.11 0.00 99.89 0.00 0.00 0.07 99.91 0.01 0.00 0.00 0.00 17 A H H 52.07 4.58 23.79 28.39 91.62 50.53 -64.18 -41.56 0.12 0.00 99.88 0.01 0.00 0.08 99.90 0.01 0.00 0.00 0.00 18 L H H 44.20 9.89 20.97 31.73 91.68 50.22 -64.13 -42.76 0.14 0.00 99.86 0.01 0.00 0.09 99.86 0.03 0.00 0.00 0.00 19 L H H 27.62 18.41 17.93 36.09 91.97 49.88 -64.17 -41.86 0.31 0.00 99.69 0.02 0.01 0.21 99.60 0.15 0.00 0.00 0.00 20 R H H 98.25 11.20 18.56 29.89 91.55 52.04 -63.98 -36.78 1.68 0.00 98.32 0.07 0.06 1.45 97.60 0.81 0.00 0.00 0.00 21 Q H H 126.81 2.23 21.18 23.00 91.69 53.57 -72.01 -24.31 17.27 0.01 82.72 0.21 0.36 17.81 80.38 1.23 0.01 0.00 0.01 22 C H H 46.54 11.35 15.46 27.69 96.21 49.63 -93.94 -7.72 47.92 0.08 52.00 1.54 2.85 42.13 51.40 1.97 0.02 0.03 0.07 23 L C S 36.14 18.15 8.71 25.94 119.88 98.51 -82.17 145.99 92.18 4.12 3.70 38.16 50.55 2.35 3.19 0.56 0.00 0.72 4.47 24 K C C 113.95 3.42 15.47 19.68 116.98 -110.27 -72.60 150.57 98.84 0.43 0.74 96.54 1.89 0.48 0.52 0.11 0.00 0.12 0.34 25 E H H 146.43 2.03 13.28 16.33 94.44 -101.80 -57.66 -40.77 29.25 0.07 70.68 1.23 2.06 23.94 42.48 30.17 0.03 0.03 0.05 26 P H H 106.19 1.11 14.30 14.59 91.33 50.94 -67.11 -26.71 30.96 0.03 69.01 0.53 1.17 28.91 43.49 25.84 0.02 0.01 0.03 27 Y H H 76.66 10.83 10.87 22.65 96.65 43.61 -92.26 -15.22 24.57 0.07 75.36 1.24 1.32 19.84 50.04 27.47 0.02 0.03 0.05 28 R H H 92.60 12.15 11.95 24.49 92.08 77.62 -59.70 -42.41 2.64 0.03 97.32 1.00 0.41 1.20 95.48 1.87 0.00 0.01 0.01 29 T H H 86.83 1.39 18.33 18.07 91.92 50.55 -64.59 -40.99 1.46 0.01 98.52 0.31 0.13 0.89 95.84 2.80 0.00 0.01 0.00 30 Q H H 93.59 3.48 17.90 21.71 92.21 49.13 -66.11 -39.70 1.23 0.01 98.76 0.23 0.11 0.78 96.01 2.84 0.00 0.01 0.00 31 A H H 12.79 17.76 11.01 28.99 92.13 52.49 -65.63 -38.21 2.44 0.02 97.55 0.39 0.23 1.66 94.68 3.02 0.00 0.01 0.00 32 M H H 104.94 6.54 16.24 23.89 91.55 56.59 -68.42 -23.74 23.90 0.08 76.02 1.21 1.29 21.42 73.44 2.53 0.04 0.04 0.04 33 Q C T 135.01 1.37 17.19 17.64 94.75 56.94 -84.03 -7.16 57.71 0.28 42.01 5.38 5.72 45.12 40.29 3.16 0.03 0.11 0.17 34 R C C 86.95 12.89 8.87 21.70 116.70 99.72 -83.95 142.47 72.52 3.71 23.77 42.24 16.08 14.77 11.90 11.41 0.02 1.92 1.66 35 N C C 122.83 2.31 14.90 18.05 100.01 -160.05 -88.58 -19.69 77.22 6.14 16.63 33.99 27.14 17.54 3.97 11.75 0.02 4.27 1.33 36 Q C C 108.07 4.25 15.81 21.36 124.56 34.43 -122.45 139.12 63.39 22.86 13.75 39.75 12.55 11.90 2.76 10.65 0.02 20.84 1.53 37 I C C 64.27 15.38 10.99 25.95 123.10 -165.39 -117.28 135.00 56.95 40.19 2.85 48.37 5.92 1.74 1.41 1.47 0.00 39.33 1.75 38 H E E 99.44 5.77 17.45 24.38 119.76 -160.60 -113.76 131.10 41.99 56.45 1.56 34.26 5.78 1.56 0.78 0.79 0.00 55.30 1.51 39 L E E 63.93 14.45 12.03 26.54 124.72 -167.31 -119.99 137.33 31.14 68.09 0.78 25.45 4.36 1.07 0.29 0.41 0.00 67.75 0.67 40 K E E 99.00 6.45 17.18 25.04 124.75 -170.39 -122.12 139.09 15.63 83.89 0.48 13.31 1.79 0.60 0.20 0.25 0.00 83.47 0.38 41 E E E 85.11 11.45 13.64 25.95 123.49 -160.23 -116.43 137.55 6.53 93.27 0.20 5.80 0.55 0.19 0.09 0.10 0.00 93.02 0.26 42 T E E 48.60 8.56 14.37 24.76 129.23 -172.96 -130.82 147.83 4.71 95.24 0.04 4.46 0.18 0.04 0.01 0.02 0.00 95.20 0.10 43 V E E 71.73 6.32 15.37 23.25 118.18 -134.07 -101.91 135.59 4.20 95.77 0.04 3.72 0.22 0.03 0.01 0.02 0.00 95.94 0.07 44 Y E E 91.77 9.93 9.24 20.45 117.09 -141.87 -100.85 132.34 5.28 94.66 0.06 4.76 0.31 0.06 0.02 0.03 0.00 94.67 0.16 45 Q E E 110.01 3.00 10.74 15.74 120.94 178.03 -131.94 124.97 7.57 92.07 0.36 4.79 1.96 1.14 0.11 0.26 0.00 90.59 1.15 46 Q C T 163.08 0.50 11.81 11.21 92.80 -13.82 53.15 42.35 99.05 0.50 0.45 0.78 5.83 92.48 0.02 0.46 0.00 0.37 0.07 47 G C T 57.04 2.57 10.07 14.22 94.40 -51.09 79.63 2.76 99.43 0.16 0.41 0.89 6.83 91.66 0.01 0.46 0.00 0.11 0.03 48 Q E E 122.34 1.46 13.16 15.23 123.38 105.29 -114.16 139.56 8.24 91.68 0.09 4.80 3.58 0.36 0.03 0.06 0.00 90.01 1.16 49 V E E 81.86 8.22 9.20 18.96 111.40 -111.12 -69.76 130.95 5.00 94.98 0.02 4.57 0.29 0.03 0.01 0.01 0.00 94.18 0.91 50 L E E 91.30 5.21 11.82 18.69 103.30 -171.62 -95.11 -29.54 32.07 67.85 0.08 28.54 1.81 0.23 0.02 0.05 0.00 69.06 0.29 51 T E E 90.97 2.37 16.14 18.94 128.29 -13.04 -133.91 147.01 31.09 68.81 0.10 28.06 1.71 0.24 0.02 0.05 0.00 69.73 0.18 52 R E E 130.33 9.75 11.11 21.91 118.45 -134.93 -94.00 136.93 28.52 71.27 0.20 27.15 1.02 0.18 0.07 0.09 0.00 71.10 0.39 53 E E E 80.10 8.24 14.53 24.32 126.39 -172.32 -124.55 143.38 12.40 87.39 0.21 11.64 0.73 0.13 0.12 0.08 0.00 85.88 1.42 54 T E E 69.66 6.52 16.96 24.56 115.03 -130.20 -90.73 134.54 18.09 81.47 0.44 17.37 0.69 0.15 0.34 0.15 0.00 78.45 2.86 55 F H H 67.12 14.54 11.66 26.19 100.10 -143.94 -79.26 -20.80 38.95 8.14 52.91 23.93 5.65 9.82 36.40 15.49 0.06 7.83 0.81 56 N H H 106.99 2.93 17.36 20.77 93.99 73.29 -70.73 -28.28 37.91 3.14 58.95 13.75 6.91 17.34 42.49 16.22 0.09 2.67 0.53 57 D H H 70.42 5.90 16.69 23.56 96.22 56.21 -81.48 -13.78 29.68 1.39 68.93 15.05 4.16 10.56 52.16 16.67 0.04 1.00 0.35 58 I H H 35.87 17.45 12.35 29.43 93.33 69.96 -65.38 -41.61 5.81 0.11 94.08 3.40 1.03 1.63 92.46 1.40 0.00 0.06 0.02 59 K H H 114.74 4.80 18.89 24.52 91.79 52.67 -63.83 -41.01 2.52 0.06 97.42 1.15 0.31 1.00 96.75 0.74 0.00 0.03 0.01 60 K H H 118.23 2.26 21.31 22.49 92.11 49.52 -65.41 -40.86 1.53 0.04 98.43 0.54 0.20 0.74 97.86 0.63 0.00 0.02 0.00 61 A H H 20.90 12.74 16.31 30.30 92.20 50.56 -64.08 -42.48 1.29 0.03 98.68 0.44 0.15 0.62 98.31 0.45 0.00 0.02 0.00 62 F H H 61.34 12.41 17.71 30.56 92.14 49.45 -64.87 -41.48 1.39 0.02 98.59 0.41 0.15 0.71 98.29 0.42 0.00 0.01 0.00 63 E H H 106.75 2.75 21.65 23.69 92.00 50.35 -64.29 -41.24 1.96 0.02 98.02 0.46 0.19 1.15 97.62 0.55 0.00 0.01 0.00 64 A H H 46.06 4.81 18.60 24.17 92.16 50.59 -64.78 -41.13 4.01 0.03 95.96 0.73 0.40 2.69 95.33 0.82 0.01 0.02 0.01 65 A H H 32.12 11.70 15.09 27.75 92.76 51.12 -66.32 -37.45 9.46 0.09 90.45 1.92 1.25 6.25 89.26 1.22 0.02 0.04 0.04 66 A H H 55.46 6.51 15.56 23.20 93.47 53.79 -68.80 -33.60 24.79 0.37 74.84 7.15 3.67 14.46 72.02 2.32 0.04 0.16 0.18 67 K H H 137.96 2.39 15.61 18.31 95.88 57.18 -71.48 -28.60 38.85 0.76 60.39 12.20 6.52 20.83 56.34 3.35 0.06 0.35 0.36 68 H C H 119.11 4.56 12.13 17.79 100.87 54.32 -85.52 -6.07 49.87 1.57 48.56 22.04 10.13 19.09 42.68 4.53 0.06 0.72 0.74 69 A C T 70.82 5.50 9.69 16.75 104.57 92.40 -75.02 45.57 63.90 1.96 34.14 23.19 11.96 30.07 26.00 6.84 0.05 0.96 0.94 70 G C T 58.39 1.98 11.35 14.32 102.89 28.65 49.95 1.27 75.19 2.16 22.65 27.82 13.87 34.99 14.52 6.72 0.02 1.11 0.95 71 E C C 129.55 3.37 8.29 13.49 109.32 111.59 -84.49 114.15 87.80 1.87 10.32 77.02 2.27 9.65 6.17 2.89 0.00 1.06 0.94 72 K C C 151.63 2.42 11.06 15.19 111.44 -148.86 -89.78 124.03 99.92 0.06 0.02 99.83 0.07 0.05 0.01 0.00 0.00 0.03 0.01