# 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 47.02 10.22 17.24 27.90 116.46 -134.67 -87.79 140.47 99.84 0.16 0.00 99.79 0.09 0.01 0.00 0.00 0.00 0.10 0.00 1 E E E 90.99 8.82 19.56 28.71 122.31 -131.06 -108.60 138.80 25.74 74.22 0.04 24.95 0.53 0.07 0.01 0.02 0.00 74.04 0.39 2 L E E 15.86 21.60 14.78 36.19 123.88 -159.32 -113.31 136.92 2.95 97.04 0.01 2.66 0.13 0.01 0.00 0.00 0.00 97.16 0.04 3 K E E 72.53 9.50 25.68 35.53 122.45 -160.70 -114.67 134.67 0.51 99.49 0.00 0.44 0.01 0.00 0.00 0.00 0.00 99.54 0.00 4 I E E 5.16 25.62 17.32 43.76 120.59 -160.78 -113.82 129.12 0.26 99.74 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.76 0.00 5 T E E 37.10 9.98 26.00 36.68 123.32 -169.28 -118.32 135.08 0.36 99.63 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.66 0.01 6 Q E E 35.00 19.87 16.75 36.19 112.20 -131.13 -84.41 126.00 3.84 96.12 0.04 3.43 0.23 0.02 0.02 0.01 0.00 96.23 0.06 7 V E E 60.45 9.72 20.65 30.91 103.72 -172.39 -96.96 -21.92 41.51 57.76 0.73 33.23 7.15 0.86 0.25 0.40 0.00 57.32 0.80 8 R C C 109.24 8.17 18.91 27.60 130.89 10.75 -133.60 149.97 67.84 27.67 4.50 40.31 22.60 5.55 1.25 2.81 0.01 25.86 1.60 9 S C C 59.29 9.42 16.56 26.43 116.24 -113.24 -83.77 142.91 85.62 9.46 4.92 67.22 12.58 5.69 1.30 3.60 0.00 8.19 1.42 10 T C C 55.40 13.02 13.95 27.17 98.83 -142.19 -90.18 1.19 80.20 7.22 12.58 59.71 10.82 9.29 3.41 9.50 0.01 4.29 2.98 11 I C T 99.81 7.73 13.57 22.52 110.62 113.92 -76.18 131.41 85.31 3.68 11.01 21.93 17.52 46.30 2.69 7.75 0.02 2.05 1.74 12 G C T 59.34 1.84 16.62 18.45 97.82 19.15 82.83 0.22 89.35 1.32 9.33 20.46 20.84 48.31 1.92 7.08 0.00 0.70 0.69 13 A C C 33.54 14.96 8.07 22.42 120.34 124.01 -83.09 153.21 94.74 1.76 3.51 50.31 42.10 2.48 2.06 1.15 0.00 0.52 1.38 14 R C C 139.76 2.48 16.73 19.16 115.03 -102.05 -70.96 149.48 95.81 1.38 2.81 84.85 9.74 0.95 2.69 0.35 0.00 0.41 1.01 15 W H H 178.84 3.45 13.00 18.35 91.74 -111.16 -57.09 -39.66 3.32 0.01 96.67 0.55 0.51 2.05 95.77 1.11 0.00 0.00 0.00 16 K H H 131.94 2.24 17.25 19.64 91.57 52.40 -64.39 -38.89 3.03 0.01 96.95 0.47 0.27 2.09 95.66 1.49 0.00 0.01 0.00 17 Q H H 37.26 14.82 15.12 30.26 92.29 49.60 -66.26 -40.32 1.57 0.03 98.40 0.46 0.17 0.88 97.08 1.38 0.00 0.02 0.00 18 R H H 69.78 14.76 16.14 30.73 91.47 52.55 -62.21 -42.21 0.65 0.01 99.35 0.17 0.07 0.32 99.05 0.38 0.00 0.00 0.00 19 E H H 101.51 2.45 23.46 24.53 91.53 49.86 -64.43 -41.15 0.99 0.01 99.00 0.16 0.06 0.66 98.71 0.40 0.00 0.00 0.00 20 S H H 24.87 10.11 20.06 31.56 91.72 50.55 -64.25 -42.43 1.49 0.02 98.49 0.26 0.13 1.00 98.02 0.57 0.00 0.01 0.00 21 L H H 4.23 25.07 14.97 40.29 91.75 50.20 -63.70 -42.20 1.40 0.04 98.56 0.32 0.14 0.84 96.16 2.51 0.01 0.02 0.01 22 R H H 128.50 7.51 20.37 28.77 91.49 50.87 -62.85 -40.56 2.41 0.02 97.58 0.23 0.12 1.77 93.37 4.49 0.00 0.01 0.00 23 T H H 90.44 2.90 21.48 24.35 90.78 54.47 -65.09 -29.92 8.60 0.01 91.39 0.23 0.27 8.13 87.38 3.96 0.01 0.01 0.01 24 L C T 27.17 17.91 15.49 33.66 92.33 55.49 -83.55 -7.14 67.36 0.07 32.57 0.45 1.57 65.75 29.39 2.72 0.02 0.03 0.07 25 G C T 36.69 4.85 23.79 29.54 97.55 -109.15 87.07 15.85 99.37 0.02 0.61 2.56 1.64 95.35 0.33 0.10 0.00 0.01 0.01 26 L C C 11.45 23.64 9.63 32.69 111.02 150.46 -82.74 118.14 98.75 0.55 0.70 97.50 0.88 0.59 0.31 0.17 0.00 0.15 0.40 27 K C C 141.57 2.60 19.97 23.05 101.36 167.16 -102.65 -17.31 99.15 0.36 0.49 84.61 12.85 1.64 0.20 0.24 0.00 0.12 0.34 28 K C S 114.34 2.52 20.93 23.14 132.75 42.37 -128.42 159.64 90.99 8.15 0.86 17.91 69.39 2.44 0.28 0.40 0.00 1.24 8.34 29 I C T 87.19 10.58 14.08 25.51 111.41 -86.32 -63.62 137.42 98.40 0.73 0.87 0.77 8.32 89.31 0.03 0.89 0.00 0.39 0.28 30 R C T 151.95 4.87 17.66 23.88 93.58 12.98 68.11 17.84 99.17 0.47 0.37 1.70 6.61 90.70 0.01 0.54 0.00 0.38 0.06 31 Q C C 78.29 7.37 17.92 26.60 120.21 129.28 -91.49 142.32 80.86 18.90 0.24 63.34 17.38 0.60 0.03 0.28 0.00 16.58 1.79 32 S E E 46.33 15.45 15.05 30.08 127.19 -152.60 -113.59 146.49 22.28 77.69 0.03 22.13 0.35 0.03 0.01 0.02 0.00 76.74 0.73 33 V E E 36.61 13.48 18.61 33.05 127.50 -167.62 -127.52 142.31 3.63 96.36 0.00 3.36 0.13 0.01 0.00 0.00 0.00 96.43 0.07 34 V E E 69.21 12.61 18.75 31.48 119.76 -151.21 -110.87 128.67 1.00 98.99 0.00 0.93 0.03 0.00 0.00 0.00 0.00 98.99 0.05 35 R E E 73.31 12.38 16.26 29.44 131.58 174.26 -132.55 151.39 6.65 93.34 0.01 6.47 0.16 0.01 0.00 0.00 0.00 93.05 0.30 36 E C C 118.10 3.59 20.87 24.64 115.08 -100.49 -69.81 146.25 57.71 42.10 0.19 44.82 9.53 1.21 0.02 0.17 0.00 43.82 0.43 37 D C C 55.90 16.94 10.77 26.98 107.73 -108.18 -71.02 122.69 98.19 1.47 0.34 71.67 24.31 2.35 0.07 0.30 0.00 1.03 0.27 38 N C C 68.31 3.97 17.50 22.39 132.18 159.24 -131.90 169.71 99.02 0.26 0.72 85.12 13.46 0.40 0.66 0.10 0.00 0.07 0.19 39 A H H 87.41 1.83 14.58 16.99 91.21 -97.28 -59.40 -36.08 4.39 0.00 95.61 0.39 0.78 3.01 95.23 0.58 0.01 0.00 0.00 40 Q H H 119.49 2.22 17.26 19.60 91.94 52.78 -65.25 -39.72 3.07 0.01 96.93 0.29 0.34 2.35 96.39 0.61 0.01 0.00 0.00 41 T H H 12.45 19.74 12.46 32.02 92.31 47.96 -66.37 -40.86 1.18 0.00 98.82 0.22 0.14 0.72 98.38 0.52 0.00 0.00 0.00 42 R H H 96.26 11.83 17.46 29.39 91.47 53.20 -62.01 -41.73 0.22 0.00 99.78 0.04 0.02 0.11 99.75 0.08 0.00 0.00 0.00 43 G H H 35.88 2.32 22.07 23.16 91.36 50.53 -63.00 -41.80 0.23 0.00 99.77 0.03 0.01 0.14 99.76 0.06 0.00 0.00 0.00 44 L H H 39.15 13.16 19.56 33.07 91.99 49.96 -65.16 -41.55 0.17 0.00 99.83 0.01 0.00 0.11 99.79 0.08 0.00 0.00 0.00 45 I H H 8.08 24.18 15.11 39.23 91.30 51.21 -63.74 -41.81 0.23 0.00 99.77 0.01 0.01 0.17 99.62 0.19 0.00 0.00 0.00 46 N H H 93.93 4.70 21.70 26.99 91.24 53.12 -64.50 -35.75 2.06 0.00 97.94 0.05 0.04 2.08 97.21 0.62 0.00 0.00 0.00 47 T H H 68.61 5.62 20.52 26.50 92.14 51.79 -69.52 -31.63 9.14 0.00 90.86 0.08 0.18 9.94 89.09 0.70 0.01 0.00 0.00 48 V H H 9.02 22.50 13.87 36.73 98.68 41.48 -97.76 -4.16 27.84 0.18 71.98 1.73 2.84 23.36 69.21 2.53 0.13 0.06 0.13 49 H H G 92.43 14.10 15.71 29.64 91.57 100.80 -58.88 -33.93 24.03 0.23 75.75 1.06 1.08 21.56 5.27 70.81 0.00 0.17 0.05 50 H H G 141.11 2.20 21.28 23.22 90.80 59.82 -72.21 -16.32 31.40 0.10 68.50 0.34 1.09 30.31 1.73 66.42 0.00 0.07 0.03 51 L H G 44.72 14.99 16.58 31.79 98.48 46.89 -99.99 -7.67 33.02 0.94 66.04 1.14 2.34 29.20 1.41 64.95 0.00 0.86 0.08 52 V E E 10.59 24.35 11.49 35.49 128.51 68.39 -118.67 145.36 8.83 91.12 0.05 6.68 2.27 0.09 0.01 0.03 0.00 90.59 0.32 53 E E E 98.36 4.71 25.07 29.93 119.51 -154.52 -110.52 134.34 1.18 98.82 0.01 1.00 0.06 0.00 0.00 0.00 0.00 98.92 0.02 54 V E E 41.11 21.31 12.25 32.39 122.70 -159.91 -116.47 132.22 0.93 99.07 0.00 0.82 0.03 0.00 0.00 0.00 0.00 99.12 0.02 55 E E E 97.75 4.43 19.87 25.25 126.86 -175.36 -127.54 144.90 1.87 98.12 0.01 1.64 0.09 0.01 0.00 0.00 0.00 98.24 0.03 56 E E E 122.03 6.12 14.32 22.36 113.46 -112.63 -75.41 133.47 7.40 92.57 0.03 6.94 0.29 0.03 0.01 0.01 0.00 92.45 0.26 57 V C C 68.29 10.72 9.51 20.93 114.58 -159.05 -101.70 127.60 78.08 21.78 0.15 76.36 0.66 0.32 0.03 0.08 0.00 22.07 0.48 58 G C C 58.98 1.69 15.30 17.14 104.43 -70.52 58.17 32.45 99.58 0.41 0.01 99.14 0.35 0.14 0.00 0.00 0.00 0.34 0.02