# 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 A C C 45.04 10.81 17.57 28.70 116.60 -130.62 -84.98 138.35 99.88 0.12 0.00 99.80 0.11 0.01 0.00 0.00 0.00 0.08 0.00 1 K E E 95.90 9.55 19.79 29.54 123.53 -136.84 -112.61 139.54 30.85 69.13 0.02 30.56 0.39 0.04 0.00 0.01 0.00 68.55 0.45 2 L E E 13.03 22.10 15.11 37.14 123.91 -159.11 -116.59 137.15 2.39 97.60 0.00 2.19 0.09 0.00 0.00 0.00 0.00 97.67 0.04 3 E E E 58.91 9.88 26.00 36.43 120.48 -155.94 -110.81 132.07 0.41 99.59 0.00 0.35 0.01 0.00 0.00 0.00 0.00 99.63 0.00 4 I E E 3.78 26.04 17.72 44.73 120.50 -161.06 -113.92 129.11 0.18 99.82 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.84 0.00 5 T E E 34.59 9.88 26.42 37.16 121.97 -168.32 -118.24 133.29 0.27 99.73 0.00 0.25 0.00 0.00 0.00 0.00 0.00 99.74 0.00 6 L E E 19.23 21.91 15.37 37.27 111.20 -125.00 -79.26 126.97 4.93 95.04 0.03 4.72 0.20 0.02 0.01 0.01 0.00 94.93 0.11 7 K C E 100.10 7.29 21.43 29.17 101.08 -177.40 -94.82 -25.40 58.33 39.97 1.70 33.65 22.76 2.45 0.45 0.99 0.00 38.91 0.80 8 R C S 113.90 5.69 20.14 26.52 134.36 15.00 -139.88 155.29 77.31 15.97 6.73 23.27 48.06 6.95 1.79 3.88 0.03 14.37 1.65 9 S C C 59.44 9.26 17.46 27.16 114.11 -100.14 -74.49 144.73 86.79 5.30 7.91 71.60 10.39 4.79 2.00 6.00 0.00 4.09 1.13 10 V C C 38.86 17.03 12.94 29.65 99.07 -147.47 -92.70 1.59 79.68 4.83 15.49 59.31 9.80 9.47 3.41 12.84 0.00 2.45 2.72 11 I C T 102.63 6.91 14.24 22.92 111.26 118.93 -68.84 129.90 88.04 2.25 9.71 14.47 14.73 58.48 1.72 8.10 0.01 1.27 1.23 12 G C T 64.73 0.83 16.88 16.09 95.78 16.82 81.58 0.27 93.70 0.54 5.76 13.16 18.48 61.64 0.72 5.43 0.00 0.31 0.27 13 R C S 66.19 14.99 7.97 22.45 122.18 120.50 -88.43 149.20 99.30 0.54 0.17 35.80 63.27 0.30 0.07 0.05 0.00 0.13 0.38 14 P C C 72.35 3.04 16.73 20.13 115.20 -101.54 -64.45 151.66 99.44 0.28 0.28 97.54 1.75 0.20 0.20 0.03 0.00 0.07 0.21 15 E H H 136.99 3.34 13.19 18.51 91.34 -108.85 -57.12 -38.75 4.00 0.01 95.99 0.58 0.57 2.54 95.00 1.30 0.00 0.00 0.00 16 D H H 98.99 2.40 17.56 20.26 91.53 54.04 -64.18 -38.58 3.42 0.01 96.57 0.39 0.27 2.49 95.27 1.56 0.00 0.00 0.00 17 Q H H 33.53 15.84 14.98 30.96 92.37 49.64 -66.53 -39.51 1.41 0.02 98.57 0.46 0.16 0.73 97.55 1.08 0.00 0.02 0.00 18 R H H 74.30 14.39 16.56 30.75 91.65 52.70 -62.62 -42.22 0.41 0.01 99.58 0.15 0.05 0.15 99.54 0.10 0.00 0.00 0.00 19 V H H 78.21 2.66 23.56 24.98 91.49 49.94 -64.16 -42.17 0.29 0.00 99.71 0.07 0.02 0.14 99.71 0.06 0.00 0.00 0.00 20 T H H 25.44 12.21 20.35 33.53 91.92 50.24 -63.75 -43.27 0.30 0.00 99.69 0.05 0.02 0.17 99.69 0.07 0.00 0.00 0.00 21 V H H 3.21 25.51 15.51 41.36 91.34 49.81 -63.50 -43.07 0.40 0.00 99.59 0.05 0.02 0.25 99.38 0.29 0.00 0.00 0.00 22 R H H 135.12 6.35 21.37 28.82 91.49 51.00 -62.76 -40.64 0.97 0.00 99.03 0.07 0.03 0.77 98.24 0.89 0.00 0.00 0.00 23 T H H 82.61 4.05 21.82 26.20 90.98 53.78 -65.28 -30.87 5.27 0.00 94.73 0.09 0.12 5.29 93.63 0.86 0.00 0.00 0.00 24 L C T 21.42 19.47 15.76 35.33 92.42 53.29 -82.19 -10.28 60.32 0.04 39.64 0.33 1.21 58.73 38.35 1.31 0.01 0.01 0.03 25 G C T 35.75 5.10 24.15 30.29 97.14 -112.03 84.28 17.23 99.47 0.01 0.51 3.51 1.41 94.71 0.30 0.07 0.00 0.01 0.00 26 L C C 11.59 23.85 9.28 32.39 111.35 155.55 -78.11 123.47 99.12 0.46 0.42 98.20 0.70 0.38 0.19 0.09 0.00 0.13 0.31 27 K C C 147.52 2.08 20.29 22.47 101.71 172.13 -103.55 -17.24 99.48 0.28 0.24 88.23 10.23 0.99 0.08 0.11 0.00 0.09 0.26 28 K C S 115.51 2.48 20.77 22.97 132.43 42.48 -127.88 158.95 93.15 6.08 0.77 19.14 70.46 2.25 0.20 0.42 0.00 0.68 6.86 29 T C T 73.26 9.83 14.37 25.12 111.94 -88.51 -63.14 138.54 99.00 0.45 0.55 0.57 7.16 91.30 0.02 0.55 0.00 0.24 0.16 30 N C T 102.71 5.53 17.56 24.46 92.55 14.37 68.59 20.36 99.47 0.32 0.22 1.42 6.09 91.91 0.00 0.30 0.00 0.24 0.04 31 Q C C 74.57 7.73 17.77 26.84 121.06 129.39 -97.15 143.32 79.43 20.48 0.09 66.77 12.60 0.29 0.01 0.11 0.00 18.34 1.88 32 T E E 59.16 14.49 15.95 30.25 126.15 -151.20 -114.25 143.68 18.14 81.85 0.01 18.40 0.21 0.01 0.00 0.01 0.00 80.60 0.77 33 V E E 32.86 14.51 18.02 33.39 125.98 -165.37 -124.07 139.56 2.77 97.23 0.00 2.56 0.08 0.00 0.00 0.00 0.00 97.31 0.04 34 V E E 71.35 11.35 19.54 31.26 118.90 -151.61 -108.95 127.30 0.59 99.41 0.00 0.55 0.01 0.00 0.00 0.00 0.00 99.41 0.03 35 H E E 54.48 13.96 15.37 29.94 129.94 -176.67 -128.23 147.97 4.61 95.38 0.00 4.51 0.09 0.00 0.00 0.00 0.00 95.18 0.21 36 E C C 119.21 3.43 21.01 24.53 115.12 -103.51 -72.10 144.91 59.79 40.04 0.17 46.01 10.10 1.10 0.02 0.15 0.00 42.25 0.37 37 D C C 60.89 16.07 11.37 26.83 107.07 -108.12 -71.25 120.41 98.17 1.49 0.35 67.70 28.16 2.44 0.07 0.32 0.00 1.07 0.24 38 N C C 67.73 4.28 17.23 22.64 132.11 155.15 -130.66 169.33 98.78 0.31 0.91 85.82 12.49 0.37 0.91 0.09 0.00 0.08 0.24 39 A H H 87.37 1.73 15.17 17.22 91.56 -97.78 -60.22 -36.71 2.18 0.00 97.82 0.18 0.31 1.52 97.63 0.34 0.00 0.00 0.00 40 A H H 63.83 3.21 17.15 20.85 91.96 53.15 -64.55 -40.33 1.11 0.00 98.88 0.11 0.11 0.83 98.61 0.34 0.00 0.00 0.00 41 I H H 15.00 20.04 12.84 32.65 92.29 47.98 -65.87 -41.89 0.27 0.00 99.73 0.04 0.02 0.16 99.56 0.21 0.00 0.00 0.00 42 R H H 96.65 11.50 17.75 29.42 91.46 52.62 -62.09 -41.77 0.08 0.00 99.92 0.01 0.00 0.04 99.91 0.04 0.00 0.00 0.00 43 G H H 35.52 2.26 22.00 22.94 91.35 50.72 -63.07 -41.74 0.15 0.00 99.85 0.01 0.00 0.09 99.86 0.03 0.00 0.00 0.00 44 M H H 44.80 12.60 19.48 32.59 91.95 50.34 -65.22 -41.04 0.16 0.00 99.84 0.01 0.00 0.10 99.83 0.06 0.00 0.00 0.00 45 I H H 9.05 23.96 14.70 38.51 91.44 51.98 -63.32 -41.73 0.24 0.00 99.76 0.01 0.01 0.17 99.64 0.17 0.00 0.00 0.00 46 N H H 98.05 4.43 20.99 26.24 91.16 52.85 -64.31 -35.41 2.51 0.00 97.49 0.06 0.05 2.53 96.65 0.72 0.00 0.00 0.00 47 K H H 119.30 4.10 20.56 24.94 91.82 51.92 -68.94 -29.60 10.09 0.00 89.91 0.09 0.20 10.74 88.11 0.85 0.01 0.00 0.00 48 V H H 10.53 21.76 13.37 35.44 99.62 42.56 -105.22 1.71 30.34 0.22 69.43 2.10 3.66 24.71 66.62 2.57 0.12 0.07 0.16 49 S H G 50.95 14.14 15.38 29.50 91.77 112.17 -59.01 -32.84 33.64 0.29 66.07 1.61 1.56 30.02 3.07 63.48 0.00 0.20 0.06 50 H H G 141.76 2.21 21.25 23.34 90.46 61.81 -73.03 -15.67 39.52 0.12 60.36 0.41 1.56 37.17 1.15 59.60 0.00 0.08 0.03 51 L H G 42.36 15.64 16.60 32.33 98.15 49.42 -99.46 -7.44 39.63 0.83 59.54 1.25 2.79 34.43 0.97 59.78 0.00 0.71 0.06 52 V E E 10.57 24.25 12.13 36.13 126.33 71.69 -118.28 141.95 6.63 93.26 0.11 5.30 1.34 0.15 0.03 0.06 0.00 92.65 0.48 53 S E E 51.48 5.95 24.84 31.04 123.71 -165.22 -117.40 139.28 1.34 98.65 0.01 1.16 0.08 0.01 0.00 0.00 0.00 98.72 0.03 54 V E E 42.96 20.03 12.76 31.79 123.16 -158.99 -117.69 133.28 2.07 97.92 0.01 1.83 0.14 0.02 0.00 0.00 0.00 97.90 0.12 55 K E E 109.64 4.56 17.67 23.63 125.26 -173.34 -122.82 141.88 8.55 91.43 0.02 7.71 0.53 0.06 0.00 0.01 0.00 91.50 0.18 56 E E E 122.20 6.32 11.80 20.06 114.05 -123.19 -84.04 134.15 24.88 75.06 0.06 24.13 0.53 0.10 0.02 0.03 0.00 74.55 0.65 57 Q C C 114.86 5.38 13.07 19.97 114.19 -134.92 -91.68 128.12 99.74 0.26 0.00 99.76 0.04 0.01 0.00 0.00 0.00 0.18 0.01