# 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 45.03 10.52 17.37 28.34 116.97 -136.76 -88.49 137.92 99.87 0.13 0.00 99.82 0.08 0.01 0.00 0.00 0.00 0.08 0.00 1 E E E 91.12 9.09 19.53 28.93 121.96 -129.70 -108.70 137.91 27.84 72.13 0.03 27.34 0.46 0.05 0.01 0.02 0.00 71.70 0.42 2 L E E 14.59 21.82 14.69 36.37 123.16 -159.73 -113.58 136.90 2.83 97.17 0.01 2.60 0.10 0.01 0.00 0.00 0.00 97.24 0.04 3 K E E 75.97 9.35 25.85 35.50 120.78 -157.21 -112.59 132.31 0.48 99.52 0.00 0.43 0.02 0.00 0.00 0.00 0.00 99.55 0.00 4 I E E 3.99 26.01 17.32 44.28 120.75 -161.71 -114.52 129.18 0.19 99.81 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.82 0.00 5 T E E 35.58 9.63 26.42 36.92 121.58 -168.16 -117.33 132.52 0.26 99.74 0.00 0.25 0.00 0.00 0.00 0.00 0.00 99.74 0.00 6 L E E 19.38 21.94 15.22 37.12 111.36 -125.60 -78.99 127.48 4.99 94.99 0.02 4.85 0.20 0.02 0.01 0.01 0.00 94.80 0.12 7 K C E 100.05 7.33 21.30 29.11 101.08 -177.26 -94.15 -25.03 57.49 39.37 3.14 34.40 20.85 2.93 0.86 1.76 0.00 38.25 0.94 8 R C S 114.01 5.88 19.85 26.39 133.79 16.73 -137.84 156.67 72.11 14.54 13.35 22.65 41.59 9.94 3.55 7.83 0.07 12.49 1.87 9 S C C 60.83 8.50 17.61 26.61 114.07 -94.79 -73.38 143.98 80.67 4.30 15.04 62.02 11.64 6.85 3.82 11.48 0.00 3.21 0.98 10 V C C 38.15 17.40 12.41 29.36 99.14 -143.50 -89.02 -0.01 70.46 4.02 25.53 48.40 10.29 11.35 5.43 20.37 0.00 2.03 2.13 11 I C T 105.01 6.59 14.35 22.70 110.70 117.32 -68.89 129.37 82.28 1.69 16.03 11.33 13.08 57.57 3.01 13.02 0.01 0.95 1.03 12 G C T 64.35 0.89 16.94 16.35 96.13 16.69 82.25 0.14 89.60 0.44 9.96 11.58 16.05 61.55 1.36 8.98 0.00 0.24 0.25 13 R C S 65.62 15.40 7.91 22.64 121.93 121.87 -87.95 147.88 99.26 0.51 0.22 35.92 63.10 0.32 0.11 0.06 0.00 0.12 0.38 14 P C C 72.36 3.12 16.61 20.17 115.09 -100.59 -64.13 150.89 99.45 0.21 0.34 97.69 1.59 0.23 0.25 0.04 0.00 0.05 0.16 15 Q H H 132.51 3.00 13.26 18.18 91.31 -109.60 -57.14 -38.92 4.24 0.01 95.75 0.60 0.57 2.72 94.66 1.43 0.00 0.00 0.00 16 N H H 106.47 2.36 17.51 20.15 91.51 53.89 -64.16 -37.50 3.76 0.01 96.23 0.44 0.30 2.74 94.80 1.70 0.00 0.00 0.00 17 Q H H 33.60 16.20 15.10 31.30 92.28 49.98 -66.48 -40.19 1.60 0.02 98.38 0.55 0.18 0.81 97.21 1.23 0.00 0.02 0.00 18 R H H 76.74 14.48 16.95 31.12 91.46 52.48 -62.37 -42.26 0.36 0.00 99.63 0.12 0.04 0.14 99.61 0.09 0.00 0.00 0.00 19 A H H 56.34 2.68 23.89 25.36 91.39 50.44 -64.06 -41.61 0.24 0.00 99.76 0.05 0.01 0.11 99.77 0.05 0.00 0.00 0.00 20 T H H 24.68 12.68 20.63 34.12 91.89 50.25 -64.31 -43.16 0.22 0.00 99.78 0.03 0.01 0.12 99.78 0.06 0.00 0.00 0.00 21 V H H 2.78 25.72 15.77 41.92 91.17 49.77 -63.28 -43.20 0.28 0.00 99.72 0.04 0.02 0.16 99.59 0.19 0.00 0.00 0.00 22 K H H 120.84 6.05 21.90 29.06 91.40 50.62 -62.63 -40.86 0.69 0.00 99.31 0.05 0.02 0.52 98.88 0.52 0.00 0.00 0.00 23 A H H 66.70 4.41 21.61 26.49 90.59 55.15 -64.77 -30.14 5.07 0.00 94.92 0.08 0.10 5.21 94.06 0.55 0.00 0.00 0.00 24 L C T 23.21 19.31 15.84 35.34 92.20 53.04 -84.22 -6.81 69.92 0.02 30.06 0.22 0.86 69.18 28.81 0.89 0.00 0.01 0.02 25 G C T 38.70 4.76 24.12 29.83 96.61 -110.74 85.11 16.66 99.63 0.01 0.36 1.41 1.00 97.35 0.19 0.05 0.00 0.00 0.00 26 L C C 11.52 23.81 10.60 33.83 108.44 146.87 -85.88 111.44 98.88 0.42 0.70 96.15 1.60 1.26 0.29 0.22 0.00 0.13 0.35 27 G C C 47.46 4.31 20.43 25.57 101.21 150.23 -100.30 -14.20 99.17 0.39 0.44 78.53 17.08 3.47 0.11 0.33 0.00 0.15 0.33 28 K C S 118.70 2.56 21.08 23.57 130.54 47.06 -122.20 157.76 92.13 6.93 0.94 18.08 69.95 2.70 0.25 0.48 0.00 0.74 7.80 29 V C T 82.00 9.95 14.63 25.45 111.65 -87.24 -63.28 138.03 98.49 0.70 0.80 0.75 9.25 88.55 0.03 0.77 0.00 0.39 0.25 30 N C T 106.93 4.89 17.70 24.01 92.42 13.90 66.71 21.96 99.33 0.40 0.27 1.98 8.03 89.23 0.01 0.37 0.00 0.32 0.06 31 S C C 42.47 8.11 17.23 26.80 122.13 132.72 -92.63 146.84 76.42 23.44 0.14 63.57 12.60 0.39 0.02 0.16 0.00 21.35 1.91 32 T E E 61.40 14.16 15.92 29.96 125.64 -149.81 -114.01 143.06 13.89 86.10 0.01 13.82 0.24 0.01 0.00 0.01 0.00 85.31 0.61 33 V E E 35.70 13.88 18.12 32.91 126.19 -166.30 -124.91 139.18 2.37 97.63 0.00 2.19 0.08 0.00 0.00 0.00 0.00 97.67 0.05 34 T E E 66.78 11.91 18.59 30.75 119.30 -153.57 -110.09 128.17 1.07 98.93 0.00 0.99 0.03 0.00 0.00 0.00 0.00 98.89 0.08 35 K E E 67.55 11.33 16.65 29.04 131.52 171.77 -135.09 148.29 11.32 88.67 0.01 10.86 0.25 0.01 0.00 0.00 0.00 88.56 0.31 36 P C E 82.23 3.82 21.05 24.82 116.03 -99.86 -65.40 149.23 51.94 47.80 0.26 38.39 10.74 1.59 0.03 0.26 0.00 48.53 0.46 37 A C C 37.91 17.89 10.58 27.69 108.49 -106.60 -68.56 128.42 98.15 1.24 0.62 69.75 25.43 3.01 0.11 0.60 0.00 0.81 0.28 38 N C C 68.33 3.97 18.04 22.82 133.38 157.86 -133.47 171.74 98.84 0.29 0.88 84.48 13.87 0.44 0.78 0.12 0.00 0.07 0.23 39 E H H 153.85 1.30 15.25 16.51 90.96 -93.76 -60.22 -36.52 2.79 0.00 97.20 0.25 0.50 1.87 97.03 0.34 0.00 0.00 0.00 40 A H H 62.52 3.57 16.99 21.19 92.06 53.83 -64.66 -40.42 1.61 0.00 98.39 0.16 0.17 1.21 98.10 0.35 0.01 0.00 0.00 41 I H H 13.73 20.66 12.62 32.98 92.36 47.71 -66.53 -41.46 0.43 0.00 99.57 0.07 0.04 0.26 99.37 0.24 0.00 0.00 0.00 42 K H H 87.88 11.12 17.78 29.15 91.42 52.99 -61.94 -41.63 0.13 0.00 99.87 0.02 0.01 0.07 99.85 0.05 0.00 0.00 0.00 43 G H H 36.57 2.17 22.09 22.82 91.45 50.64 -62.98 -41.64 0.26 0.00 99.74 0.02 0.01 0.16 99.75 0.05 0.00 0.00 0.00 44 M H H 43.86 13.30 19.36 32.97 92.04 50.27 -65.48 -41.06 0.25 0.00 99.75 0.02 0.01 0.16 99.72 0.08 0.00 0.00 0.00 45 V H H 7.58 24.06 14.69 38.55 91.43 51.86 -63.60 -41.51 0.34 0.00 99.66 0.02 0.02 0.24 99.46 0.26 0.00 0.00 0.00 46 N H H 99.55 4.17 21.27 26.16 91.22 52.92 -64.89 -34.53 2.86 0.00 97.14 0.07 0.06 2.84 96.11 0.91 0.00 0.00 0.00 47 T H H 76.10 4.97 20.32 25.59 92.29 51.57 -70.84 -30.71 9.46 0.00 90.54 0.09 0.21 10.00 88.84 0.85 0.01 0.00 0.00 48 I H H 10.74 21.99 13.29 35.64 99.81 41.30 -102.97 3.45 29.71 0.21 70.08 2.02 3.74 24.06 67.93 1.94 0.10 0.06 0.14 49 S H G 51.55 13.81 14.99 28.92 91.67 110.00 -59.43 -31.88 37.85 0.26 61.89 1.77 1.54 33.84 2.43 60.19 0.00 0.16 0.07 50 H H G 143.26 2.07 20.90 22.66 90.51 61.86 -73.17 -15.56 43.15 0.09 56.75 0.34 1.48 40.73 0.87 56.50 0.00 0.06 0.02 51 L H G 44.18 15.29 16.23 31.65 98.62 46.90 -100.40 -9.12 42.20 0.64 57.16 1.09 2.70 36.82 0.74 58.09 0.00 0.52 0.06 52 V E E 9.68 24.17 11.42 35.31 130.02 60.38 -125.16 146.37 7.86 92.06 0.08 5.93 2.05 0.15 0.02 0.05 0.00 91.41 0.39 53 D E E 79.28 4.41 24.98 29.43 119.30 -154.77 -109.82 133.14 0.97 99.03 0.01 0.83 0.04 0.00 0.00 0.00 0.00 99.09 0.02 54 V E E 40.02 21.29 11.65 31.69 123.38 -161.39 -118.11 133.03 1.05 98.95 0.00 0.96 0.04 0.00 0.00 0.00 0.00 98.97 0.03 55 E E E 104.09 3.96 18.78 23.81 125.93 -173.89 -125.48 144.41 4.02 95.97 0.01 3.67 0.19 0.02 0.00 0.00 0.00 96.05 0.07 56 E E E 121.70 6.38 13.12 21.45 113.38 -117.04 -78.64 132.47 14.19 85.79 0.02 13.97 0.29 0.03 0.01 0.01 0.00 85.25 0.44 57 V C C 71.07 9.78 12.15 22.82 114.41 -156.89 -98.86 126.79 99.60 0.40 0.00 99.67 0.03 0.01 0.00 0.00 0.00 0.28 0.01