# 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 114.11 5.95 16.44 23.22 106.71 -123.99 -87.35 93.74 99.95 0.05 0.00 99.88 0.07 0.01 0.00 0.00 0.00 0.03 0.00 1 A C C 35.86 12.28 13.95 27.03 118.75 -133.45 -88.66 144.27 73.14 26.83 0.04 72.25 0.59 0.12 0.00 0.02 0.00 26.58 0.42 2 K E E 94.07 9.19 20.27 29.82 123.67 -153.83 -114.23 139.10 15.02 84.96 0.02 13.08 1.20 0.07 0.00 0.02 0.00 85.41 0.22 3 L E E 9.19 23.36 15.73 39.26 123.48 -156.33 -117.59 137.15 1.02 98.98 0.00 0.96 0.03 0.00 0.00 0.00 0.00 99.00 0.02 4 E E E 55.49 10.10 26.61 37.39 119.69 -155.29 -109.52 131.20 0.22 99.78 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.00 5 I E E 3.22 26.33 17.76 45.18 120.61 -162.80 -115.63 129.09 0.12 99.88 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 6 T E E 35.76 9.60 26.71 37.20 121.69 -167.12 -117.59 132.45 0.18 99.82 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.00 7 L E E 18.78 22.04 15.08 37.16 110.79 -124.72 -78.38 125.84 3.86 96.12 0.01 3.72 0.14 0.01 0.00 0.00 0.00 96.03 0.09 8 K C E 101.91 6.61 21.49 28.72 100.40 177.21 -96.07 -27.03 57.19 41.74 1.07 29.62 25.87 2.35 0.25 0.66 0.00 40.48 0.76 9 R C S 112.33 5.17 20.77 26.64 136.26 12.92 -143.52 156.06 79.65 16.92 3.43 17.64 56.09 6.19 0.86 1.97 0.02 15.72 1.50 10 S C C 58.65 9.86 17.53 27.70 114.33 -100.99 -74.52 143.10 90.82 5.66 3.52 79.33 8.17 3.27 0.87 2.68 0.00 4.62 1.06 11 L C C 40.24 17.39 12.81 30.01 98.81 -153.88 -93.57 1.37 85.47 5.34 9.18 69.49 7.79 7.12 1.97 7.76 0.00 2.62 3.24 12 I C T 104.42 6.48 14.29 22.74 111.17 120.15 -66.77 131.41 92.40 2.12 5.48 10.76 13.28 67.84 0.81 4.95 0.00 1.23 1.13 13 G C T 65.51 0.70 16.82 15.58 95.21 16.91 81.74 0.20 96.09 0.45 3.46 10.01 16.36 69.24 0.36 3.55 0.00 0.27 0.20 14 R C S 66.11 15.16 7.86 22.41 122.85 122.39 -88.79 148.79 99.21 0.60 0.19 34.94 63.97 0.36 0.08 0.06 0.00 0.14 0.45 15 P C C 72.90 3.09 16.67 20.19 115.04 -100.87 -63.85 151.09 99.41 0.34 0.25 96.53 2.65 0.24 0.16 0.04 0.00 0.08 0.29 16 Q H H 126.35 3.53 13.55 18.99 91.36 -110.34 -56.88 -39.15 4.49 0.01 95.50 0.72 0.71 2.68 94.84 1.05 0.00 0.00 0.00 17 P H H 81.07 3.46 17.63 21.65 91.63 53.70 -63.92 -38.35 3.96 0.01 96.04 0.42 0.32 2.91 94.94 1.40 0.01 0.00 0.00 18 Q H H 33.42 16.24 15.22 31.49 92.18 49.60 -66.28 -39.44 1.64 0.02 98.34 0.50 0.17 0.89 97.35 1.08 0.00 0.01 0.00 19 R H H 77.08 14.31 16.90 30.95 91.52 52.63 -62.55 -42.16 0.41 0.00 99.59 0.13 0.05 0.16 99.56 0.10 0.00 0.00 0.00 20 K H H 118.35 2.28 24.37 25.35 91.82 50.15 -64.34 -41.16 0.26 0.00 99.74 0.06 0.01 0.12 99.75 0.05 0.00 0.00 0.00 21 T H H 23.76 13.15 20.58 34.44 91.98 50.09 -64.06 -43.39 0.22 0.00 99.78 0.03 0.01 0.12 99.78 0.05 0.00 0.00 0.00 22 V H H 2.66 25.82 16.12 42.33 91.47 49.59 -63.40 -43.39 0.27 0.00 99.73 0.04 0.02 0.16 99.64 0.15 0.00 0.00 0.00 23 Q H H 103.48 6.79 22.11 29.81 91.44 50.61 -62.67 -40.65 0.69 0.00 99.30 0.05 0.03 0.53 98.93 0.46 0.00 0.00 0.00 24 A H H 63.41 4.97 21.90 27.40 90.69 54.97 -65.18 -30.59 5.33 0.00 94.67 0.08 0.11 5.46 93.82 0.53 0.00 0.00 0.00 25 L C T 20.55 19.89 16.05 36.09 92.32 53.58 -83.46 -7.59 67.49 0.03 32.49 0.25 0.98 66.37 31.42 0.94 0.01 0.01 0.03 26 G C T 37.10 5.18 24.33 30.59 97.64 -110.21 85.47 17.36 99.55 0.01 0.44 2.08 1.18 96.42 0.25 0.06 0.00 0.01 0.00 27 L C C 11.30 23.93 10.65 34.04 109.56 149.48 -82.88 114.84 98.93 0.44 0.63 96.83 1.21 1.06 0.25 0.18 0.00 0.14 0.33 28 G C C 47.45 4.25 20.49 25.54 101.21 154.48 -102.29 -13.66 99.24 0.40 0.36 80.70 15.36 3.13 0.09 0.26 0.00 0.15 0.31 29 K C S 117.76 2.53 21.08 23.49 132.19 46.49 -126.00 158.48 91.93 7.31 0.76 16.81 71.56 2.26 0.21 0.36 0.00 0.88 7.91 30 T C T 77.66 9.13 14.89 25.04 111.80 -85.17 -62.90 138.05 98.57 0.73 0.71 0.72 9.42 88.47 0.03 0.69 0.00 0.40 0.26 31 N C T 105.52 5.08 17.62 24.11 92.15 13.93 67.31 22.28 99.35 0.42 0.23 1.90 8.65 88.73 0.01 0.33 0.00 0.34 0.05 32 S C C 41.79 8.31 17.17 26.96 121.76 132.26 -93.41 146.56 74.26 25.61 0.12 62.04 12.03 0.36 0.02 0.14 0.00 23.21 2.21 33 V E E 64.29 14.27 16.48 30.64 125.60 -149.76 -116.19 141.42 14.07 85.92 0.01 14.11 0.20 0.01 0.00 0.00 0.00 85.01 0.66 34 V E E 31.72 14.72 18.18 33.71 124.86 -165.07 -122.42 137.34 2.89 97.11 0.00 2.67 0.08 0.00 0.00 0.00 0.00 97.21 0.04 35 V E E 69.31 11.72 19.43 31.45 118.75 -152.43 -109.39 126.53 0.65 99.35 0.00 0.60 0.02 0.00 0.00 0.00 0.00 99.36 0.03 36 K E E 63.03 13.08 15.87 29.62 130.63 170.66 -128.10 149.03 4.85 95.14 0.00 4.65 0.11 0.00 0.00 0.00 0.00 95.05 0.18 37 E C E 117.94 3.66 20.91 24.72 115.59 -101.90 -71.10 146.44 52.99 46.90 0.10 42.70 7.37 0.75 0.01 0.10 0.00 48.73 0.35 38 D C C 60.01 16.19 11.35 26.96 107.63 -106.81 -70.30 122.30 98.40 1.42 0.17 71.83 25.07 1.64 0.03 0.18 0.00 1.03 0.22 39 N C C 64.04 4.82 16.80 22.96 132.45 158.19 -133.76 166.34 99.55 0.18 0.28 88.94 10.44 0.14 0.27 0.03 0.00 0.04 0.12 40 P H H 111.16 1.54 15.39 17.00 91.36 -99.78 -60.07 -35.75 2.03 0.00 97.97 0.13 0.22 1.53 97.80 0.31 0.00 0.00 0.00 41 A H H 63.16 3.44 17.00 21.07 91.90 54.13 -64.66 -40.47 0.94 0.00 99.06 0.06 0.07 0.75 98.82 0.30 0.00 0.00 0.00 42 I H H 13.68 20.59 12.64 32.94 92.25 47.76 -65.67 -41.98 0.19 0.00 99.81 0.02 0.01 0.12 99.68 0.17 0.00 0.00 0.00 43 R H H 100.50 11.03 17.89 29.17 91.44 52.60 -61.81 -41.67 0.06 0.00 99.94 0.00 0.00 0.03 99.94 0.03 0.00 0.00 0.00 44 G H H 35.94 2.24 22.10 22.99 91.32 50.65 -62.98 -41.59 0.15 0.00 99.85 0.01 0.00 0.09 99.86 0.03 0.00 0.00 0.00 45 M H H 42.19 13.16 19.37 32.97 91.91 50.22 -65.45 -40.87 0.15 0.00 99.85 0.01 0.00 0.10 99.82 0.06 0.00 0.00 0.00 46 I H H 8.53 24.06 14.58 38.49 91.38 52.07 -63.15 -41.76 0.22 0.00 99.78 0.01 0.01 0.16 99.61 0.22 0.00 0.00 0.00 47 T H H 83.47 4.47 21.04 26.16 91.42 52.61 -64.71 -36.11 2.23 0.00 97.77 0.05 0.04 2.27 96.87 0.76 0.00 0.00 0.00 48 K H H 118.55 4.17 20.40 24.90 92.08 52.04 -69.16 -31.02 7.98 0.00 92.02 0.07 0.16 8.47 90.60 0.69 0.00 0.00 0.00 49 V H H 10.19 21.63 13.00 35.04 100.19 40.97 -106.94 7.72 31.92 0.20 67.88 2.48 4.55 24.98 65.80 1.89 0.09 0.05 0.15 50 S H G 52.82 13.40 14.94 28.61 91.59 115.55 -59.23 -32.30 44.31 0.37 55.32 2.32 1.86 39.66 2.05 53.79 0.00 0.23 0.09 51 H H G 142.69 2.12 20.78 22.72 90.33 62.27 -72.87 -15.79 49.27 0.11 50.62 0.36 1.76 46.37 0.75 50.67 0.00 0.06 0.03 52 L H G 42.52 15.50 16.11 31.74 98.55 46.70 -100.46 -9.56 48.51 0.75 50.75 1.22 3.10 42.34 0.66 52.02 0.00 0.60 0.06 53 V E E 9.50 24.17 11.44 35.34 129.96 60.87 -124.87 146.06 8.02 91.89 0.09 6.04 2.08 0.17 0.02 0.06 0.00 91.19 0.44 54 D E E 79.25 4.43 24.85 29.31 118.74 -155.79 -109.28 132.02 1.06 98.93 0.01 0.91 0.05 0.00 0.00 0.00 0.00 99.01 0.02 55 V E E 40.82 21.25 11.58 31.56 123.26 -161.82 -118.74 133.59 1.31 98.68 0.00 1.18 0.05 0.01 0.00 0.00 0.00 98.71 0.04 56 K E E 113.12 3.75 18.88 23.75 125.86 -173.84 -126.22 143.37 4.71 95.28 0.01 4.28 0.24 0.02 0.00 0.00 0.00 95.36 0.09 57 E E E 120.85 6.56 12.90 21.38 113.48 -117.36 -78.48 132.55 15.20 84.78 0.02 14.99 0.30 0.03 0.00 0.01 0.00 84.16 0.50 58 V C C 71.31 9.70 12.12 22.73 113.56 -156.77 -98.80 126.83 99.60 0.40 0.00 99.66 0.04 0.01 0.00 0.00 0.00 0.29 0.01