# 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 128.61 3.70 11.78 17.11 115.63 -158.11 -95.62 131.73 99.89 0.11 0.01 99.85 0.06 0.02 0.00 0.00 0.00 0.06 0.01 1 S C C 69.16 6.09 8.89 16.66 117.92 -146.58 -95.39 140.28 86.08 13.52 0.40 84.83 0.66 0.70 0.09 0.18 0.00 12.77 0.77 2 K C C 146.27 2.43 12.10 16.24 121.67 -157.56 -117.49 138.97 53.42 46.10 0.48 46.73 4.76 0.95 0.14 0.36 0.00 44.97 2.09 3 T E E 68.52 9.88 9.20 20.10 121.33 -157.62 -115.11 135.47 40.68 59.15 0.17 38.81 1.45 0.18 0.05 0.10 0.00 58.38 1.03 4 V E E 96.06 3.21 15.39 19.81 118.91 -158.69 -110.17 129.70 34.01 65.83 0.15 33.53 0.80 0.12 0.08 0.08 0.00 63.14 2.25 5 V C C 64.71 11.62 8.33 20.42 117.50 -146.86 -97.82 131.66 68.81 31.06 0.12 68.08 1.10 0.11 0.05 0.06 0.00 28.99 1.61 6 R C C 136.48 3.28 11.87 16.57 118.74 -136.45 -87.23 152.84 92.57 7.26 0.16 90.52 2.38 0.28 0.05 0.09 0.00 4.97 1.71 7 K C T 172.42 1.00 11.40 12.69 102.76 -89.20 -59.86 97.56 99.24 0.33 0.43 0.76 5.99 92.65 0.04 0.29 0.00 0.21 0.07 8 N C T 143.34 0.53 12.18 11.44 96.93 16.92 27.03 13.48 99.46 0.15 0.39 1.05 5.30 93.19 0.03 0.29 0.00 0.10 0.03 9 E C C 69.45 8.82 7.18 17.38 120.97 122.28 -93.69 146.20 97.68 1.98 0.34 49.95 47.22 0.49 0.14 0.15 0.00 0.64 1.41 10 S C C 61.25 1.93 15.40 16.90 119.26 -115.91 -76.52 160.11 97.09 2.54 0.37 95.96 1.06 0.17 0.25 0.05 0.00 0.60 1.91 11 L H H 96.11 7.44 11.16 20.05 92.27 -110.34 -59.36 -38.19 1.50 0.00 98.50 0.35 0.20 0.75 98.41 0.28 0.00 0.00 0.00 12 E H H 128.33 1.59 15.87 17.06 91.89 53.11 -64.63 -40.66 0.67 0.00 99.33 0.10 0.04 0.41 99.20 0.25 0.00 0.00 0.00 13 D H H 74.35 2.45 16.55 19.02 91.72 48.89 -65.56 -40.51 0.25 0.00 99.74 0.05 0.02 0.14 99.59 0.20 0.00 0.00 0.00 14 A H H 21.42 9.91 12.62 24.71 91.74 51.52 -63.27 -42.31 0.10 0.00 99.90 0.01 0.01 0.05 99.88 0.05 0.00 0.00 0.00 15 L H H 73.55 5.89 16.19 23.13 91.63 50.00 -64.04 -41.26 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 16 R H H 136.23 1.59 18.65 18.92 91.71 50.45 -64.55 -41.78 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 17 R H H 115.31 3.67 17.68 21.86 91.68 49.58 -64.62 -41.67 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 18 F H H 69.34 9.95 14.97 26.01 92.06 49.93 -64.36 -41.86 0.09 0.00 99.91 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 19 K H H 113.08 4.12 17.38 22.29 91.50 50.50 -63.46 -41.03 0.13 0.00 99.87 0.01 0.00 0.08 99.89 0.01 0.00 0.00 0.00 20 R H H 139.11 1.54 18.78 18.84 92.25 49.78 -65.00 -41.32 0.33 0.00 99.67 0.03 0.02 0.20 99.72 0.03 0.00 0.00 0.00 21 S H H 44.67 4.95 16.07 22.36 92.17 49.48 -64.80 -41.20 0.99 0.00 99.00 0.11 0.08 0.63 99.10 0.08 0.00 0.00 0.00 22 V H H 46.36 8.41 12.76 22.91 92.77 48.42 -65.77 -41.35 2.65 0.03 97.32 0.56 0.35 1.52 97.33 0.22 0.01 0.01 0.01 23 S H H 67.20 2.91 14.59 18.32 92.56 50.64 -65.33 -39.71 5.26 0.04 94.70 1.07 0.52 3.33 94.42 0.61 0.02 0.02 0.01 24 K H H 157.89 0.92 15.25 15.01 92.74 50.96 -68.26 -31.90 12.06 0.03 87.91 0.59 0.82 10.39 87.52 0.63 0.02 0.01 0.01 25 S C T 64.51 3.82 12.53 17.62 95.16 50.39 -84.59 -9.46 56.91 0.08 43.01 1.19 4.84 48.55 44.31 1.00 0.02 0.02 0.07 26 G C T 41.64 4.02 14.34 19.74 97.34 -112.92 79.47 7.22 90.30 0.17 9.53 11.84 15.77 61.08 10.29 0.85 0.00 0.06 0.12 27 T H H 54.05 6.06 13.57 21.57 94.76 121.97 -68.35 -36.38 7.03 0.06 92.91 4.36 0.97 1.51 92.59 0.53 0.00 0.02 0.02 28 I H H 69.83 7.45 13.69 22.67 92.49 53.48 -64.26 -41.61 1.47 0.02 98.51 0.50 0.18 0.68 98.16 0.46 0.00 0.01 0.00 29 Q H H 103.93 2.08 16.57 18.40 92.13 50.92 -64.85 -40.66 0.63 0.01 99.36 0.20 0.07 0.30 99.02 0.41 0.00 0.01 0.00 30 E H H 98.07 2.43 15.69 18.26 92.15 50.22 -65.21 -41.04 0.55 0.01 99.44 0.13 0.05 0.29 99.21 0.31 0.00 0.00 0.00 31 V H H 60.51 5.11 13.17 20.03 92.42 49.96 -64.63 -41.72 0.92 0.01 99.07 0.16 0.09 0.55 98.87 0.32 0.00 0.00 0.00 32 R H H 125.14 3.13 13.47 17.66 92.34 50.77 -65.48 -39.80 2.44 0.01 97.55 0.40 0.21 1.62 97.09 0.67 0.00 0.00 0.00 33 K H H 131.06 1.75 13.41 15.37 93.01 51.75 -66.08 -38.35 6.03 0.02 93.96 0.71 0.47 4.53 92.70 1.57 0.01 0.01 0.01 34 R H H 149.44 2.12 12.28 15.06 94.67 49.45 -71.01 -34.81 10.46 0.04 89.50 1.32 1.05 7.81 86.02 3.74 0.02 0.02 0.02 35 E H H 130.22 2.01 12.30 14.88 97.35 43.49 -78.21 -31.73 26.88 0.12 73.01 2.13 2.48 21.81 68.36 5.04 0.06 0.05 0.07 36 F H H 129.16 3.07 11.39 15.65 103.18 33.93 -102.15 -10.07 49.67 0.51 49.81 7.27 6.66 35.58 44.89 4.98 0.08 0.23 0.32 37 Y C C 132.46 4.87 9.73 16.46 113.36 74.17 -95.54 120.53 76.70 5.58 17.72 50.22 13.19 12.31 14.55 4.00 0.02 2.64 3.06 38 E C C 109.13 4.71 10.60 17.14 116.34 -155.35 -92.57 137.49 86.62 3.38 10.00 68.18 12.49 4.83 9.35 1.70 0.00 1.56 1.88 39 K C C 126.00 3.30 11.59 16.49 114.22 -115.28 -75.88 143.87 85.71 0.43 13.86 74.83 6.81 2.75 14.23 1.02 0.00 0.17 0.19 40 P H H 86.53 3.84 11.21 16.59 97.85 -106.67 -63.58 -32.01 46.53 0.33 53.14 24.82 5.32 15.32 50.49 3.74 0.00 0.16 0.14 41 S H H 64.74 2.61 12.35 15.65 97.20 56.46 -70.82 -32.93 36.64 0.42 62.94 20.10 4.82 11.88 58.98 3.81 0.01 0.20 0.19 42 V H H 70.62 3.80 11.45 16.94 94.49 58.99 -67.06 -39.35 14.38 0.29 85.32 9.35 2.81 3.25 81.98 2.38 0.00 0.14 0.09 43 K H H 113.24 2.91 12.93 16.84 92.94 53.11 -64.65 -40.70 6.98 0.16 92.86 4.31 1.12 2.01 91.12 1.31 0.00 0.09 0.04 44 R H H 142.02 1.65 13.84 15.47 92.30 50.59 -65.57 -40.04 4.76 0.10 95.14 2.61 0.73 1.64 93.98 0.96 0.00 0.05 0.02 45 K H H 121.16 1.86 14.13 16.11 92.04 50.65 -65.30 -40.47 3.56 0.06 96.39 1.83 0.51 1.27 95.72 0.63 0.00 0.03 0.01 46 K H H 116.71 2.49 14.24 17.28 92.17 50.07 -64.82 -40.82 2.70 0.03 97.27 1.27 0.36 1.02 96.89 0.43 0.00 0.02 0.01 47 K H H 122.84 1.87 15.03 16.87 91.93 49.90 -64.65 -40.99 2.27 0.02 97.72 0.94 0.28 0.92 97.51 0.33 0.00 0.01 0.00 48 S H H 59.07 1.98 15.02 16.91 92.00 49.98 -64.63 -41.19 2.41 0.02 97.57 0.92 0.28 1.03 97.40 0.35 0.00 0.01 0.00 49 E H H 99.21 2.22 15.16 17.48 92.18 49.80 -64.94 -40.77 1.98 0.01 98.01 0.67 0.23 0.91 97.82 0.36 0.00 0.00 0.00 50 A H H 49.64 2.72 13.78 17.55 91.82 50.98 -64.06 -40.89 2.38 0.01 97.61 0.73 0.26 1.19 97.30 0.50 0.00 0.01 0.00 51 A H H 55.86 2.04 13.44 15.96 91.77 50.78 -64.02 -40.60 3.91 0.02 96.07 1.15 0.44 2.12 95.32 0.94 0.00 0.01 0.01 52 R H H 139.44 1.44 13.05 14.36 92.26 51.00 -65.55 -39.19 7.39 0.05 92.56 2.16 0.95 4.22 90.94 1.68 0.01 0.02 0.02 53 K H H 123.26 1.76 11.50 13.88 92.44 52.14 -66.04 -37.96 13.12 0.10 86.78 4.40 1.80 7.02 83.30 3.37 0.01 0.04 0.05 54 R H H 156.49 1.38 10.49 12.43 92.97 53.88 -67.05 -35.36 20.97 0.20 78.83 7.30 2.83 10.80 70.22 8.63 0.02 0.10 0.10 55 K H H 154.94 0.97 9.97 11.18 93.69 55.25 -69.29 -29.26 36.36 0.30 63.33 10.05 4.03 22.12 55.00 8.45 0.03 0.14 0.18 56 F C H 154.11 1.53 8.30 10.91 98.93 52.08 -84.67 -6.51 56.08 0.33 43.58 28.66 1.85 25.68 38.98 4.46 0.00 0.14 0.23 57 K C C 146.29 2.41 10.15 14.07 104.44 96.63 -78.91 74.29 99.92 0.02 0.06 99.76 0.08 0.11 0.04 0.00 0.00 0.01 0.00