# 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 122.73 3.84 9.77 15.51 118.20 -150.63 -95.32 138.89 99.95 0.04 0.00 99.81 0.15 0.01 0.00 0.00 0.00 0.02 0.01 1 P C C 102.58 2.48 8.80 13.16 114.11 -105.38 -67.54 148.63 99.09 0.50 0.42 98.22 0.32 0.84 0.12 0.11 0.00 0.20 0.19 2 K C C 163.51 1.44 7.80 10.85 114.25 -113.35 -81.54 137.39 92.91 5.30 1.79 82.74 7.05 2.76 0.67 0.99 0.00 2.57 3.21 3 Q C C 138.68 2.38 7.13 11.55 114.18 -124.05 -86.88 134.77 88.23 8.84 2.92 77.12 8.07 2.62 1.32 1.51 0.00 5.27 4.08 4 K C C 153.64 1.86 9.08 12.51 117.97 -143.63 -102.38 138.78 86.44 8.98 4.58 72.28 10.52 3.37 2.71 1.85 0.00 5.36 3.91 5 T C C 89.93 4.79 8.57 15.30 117.46 -134.88 -96.27 139.94 85.91 7.06 7.03 67.38 14.13 4.20 5.00 2.28 0.00 3.96 3.04 6 H C C 112.02 5.19 10.01 16.84 110.39 -135.06 -89.94 120.93 86.47 3.59 9.94 73.64 8.78 3.51 8.70 1.87 0.00 1.82 1.67 7 R H H 162.11 2.55 12.17 15.99 96.63 -145.08 -68.28 -30.47 32.06 0.96 66.99 18.49 6.46 9.08 56.08 8.94 0.03 0.49 0.42 8 G H H 38.68 3.39 12.67 17.41 93.95 57.59 -64.47 -38.49 23.38 0.48 76.14 7.14 4.15 12.09 60.25 15.83 0.06 0.27 0.21 9 L H H 69.07 7.85 11.64 21.01 93.23 52.63 -68.18 -33.63 13.49 0.43 86.08 4.25 2.14 6.58 63.94 22.65 0.05 0.27 0.13 10 A H H 51.97 8.12 12.10 21.56 92.50 62.34 -65.29 -29.79 14.28 0.52 85.19 4.01 2.22 7.37 61.85 24.00 0.08 0.31 0.17 11 K H H 144.91 2.11 16.28 18.63 93.71 58.85 -79.25 -13.42 36.38 0.93 62.69 6.43 5.24 22.80 44.03 20.38 0.15 0.55 0.42 12 R C T 123.94 6.15 14.43 21.65 97.42 61.58 -88.87 -6.99 59.07 4.31 36.62 15.01 13.57 31.31 23.28 12.40 0.25 2.86 1.32 13 V E E 51.61 14.12 9.47 23.61 122.21 86.50 -106.49 137.85 32.30 66.70 1.00 27.08 4.79 0.94 0.59 0.50 0.00 63.59 2.52 14 K E E 124.17 3.14 16.07 20.56 125.27 -170.17 -122.93 145.65 8.99 90.83 0.18 8.33 0.54 0.10 0.10 0.06 0.00 90.37 0.49 15 R E E 155.57 4.64 10.76 17.65 115.23 -120.40 -85.20 131.58 6.55 93.34 0.11 6.06 0.36 0.06 0.09 0.04 0.00 86.04 7.36 16 T C C 61.00 5.86 8.16 15.98 122.45 -149.38 -91.50 169.71 88.47 11.39 0.14 87.63 1.01 0.22 0.03 0.06 0.00 10.00 1.05 17 G C T 70.09 0.29 9.48 8.58 92.54 -94.78 -62.66 -23.50 96.03 2.25 1.72 2.81 13.13 80.05 0.08 1.83 0.00 1.78 0.32 18 G C T 64.27 0.50 9.65 9.33 94.94 55.81 -88.32 -0.09 97.76 0.29 1.95 1.34 11.13 85.05 0.07 2.13 0.00 0.17 0.10 19 G C S 49.39 2.82 10.61 14.89 101.84 -98.83 90.76 3.74 97.96 0.55 1.49 9.38 78.93 9.84 0.11 1.23 0.00 0.33 0.18 20 G C C 32.39 4.70 11.75 18.21 126.20 125.43 -91.72 173.95 89.08 10.77 0.14 79.27 8.92 0.69 0.03 0.11 0.00 9.87 1.10 21 L E E 77.22 10.29 10.51 21.95 122.07 -104.88 -107.01 141.26 3.80 96.18 0.02 3.66 0.17 0.02 0.01 0.01 0.00 92.94 3.18 22 K E E 107.97 5.87 15.05 22.54 124.47 -164.15 -118.17 143.90 5.29 94.67 0.04 5.13 0.22 0.03 0.03 0.01 0.00 94.10 0.48 23 R E E 128.16 8.74 12.34 22.33 118.04 -123.42 -88.89 139.76 29.63 69.99 0.38 26.78 2.13 0.32 0.19 0.18 0.00 69.03 1.37 24 G C C 33.39 8.46 11.18 20.99 120.62 -135.83 -91.73 156.39 82.89 11.68 5.43 69.97 9.79 3.04 2.91 2.30 0.00 10.84 1.15 25 R C C 157.51 3.58 12.58 17.70 114.58 -115.86 -89.93 136.43 62.10 2.89 35.01 43.13 10.26 8.84 16.38 18.61 0.01 1.81 0.96 26 A C G 72.16 4.28 11.15 17.07 108.51 -109.36 -74.12 122.11 51.11 1.45 47.45 21.32 11.95 17.95 21.38 25.94 0.05 0.73 0.68 27 F H H 131.83 5.06 10.80 17.21 102.85 47.56 -84.17 50.88 48.62 1.81 49.57 25.12 9.07 14.66 25.41 23.93 0.04 0.93 0.84 28 T C C 73.54 6.38 10.44 18.29 103.29 117.49 -89.37 -7.20 52.12 1.67 46.21 31.58 10.14 10.78 30.76 15.06 0.03 0.78 0.87 29 S C H 66.32 4.54 10.98 17.01 108.59 72.81 -83.29 128.26 50.93 1.42 47.64 22.95 11.56 17.01 27.19 19.76 0.07 0.67 0.78 30 H C T 132.21 3.30 11.00 15.71 97.24 -122.26 -74.92 -13.71 52.68 1.23 46.09 14.62 11.69 26.55 22.98 22.68 0.13 0.59 0.76 31 R C T 155.15 2.97 11.66 15.99 99.36 69.87 -79.11 8.02 57.67 2.16 40.18 20.55 11.85 25.89 18.33 20.87 0.14 1.01 1.37 32 F C C 95.08 9.03 8.58 18.58 99.46 75.10 -94.28 8.65 72.81 2.74 24.46 43.15 13.20 16.51 11.54 12.19 0.02 0.99 2.39 33 H C T 141.99 2.60 10.05 14.85 109.71 121.20 -67.02 128.06 92.97 0.54 6.49 5.41 5.47 82.13 3.70 2.57 0.00 0.24 0.48 34 G C T 67.57 0.39 13.06 11.33 95.71 19.44 79.63 1.99 95.92 0.15 3.93 4.24 8.30 83.72 1.27 2.30 0.00 0.08 0.09 35 K C C 79.54 9.08 6.24 16.22 120.78 122.22 -85.89 149.42 98.58 0.68 0.75 64.89 33.06 0.45 0.50 0.17 0.00 0.14 0.78 36 T C C 78.73 1.55 13.03 14.39 118.96 -109.23 -72.27 159.95 98.87 0.67 0.47 97.60 1.19 0.12 0.36 0.04 0.00 0.14 0.56 37 K H H 152.56 1.83 10.38 13.63 91.61 -104.24 -58.89 -38.18 3.02 0.01 96.97 0.62 0.54 1.66 96.07 1.11 0.00 0.00 0.00 38 K H H 144.97 0.81 12.83 12.59 91.74 52.19 -64.50 -40.23 2.28 0.01 97.72 0.33 0.24 1.54 96.53 1.36 0.00 0.00 0.00 39 Q H H 83.57 3.54 11.73 16.81 92.40 49.05 -66.16 -39.46 1.30 0.01 98.69 0.28 0.13 0.78 97.39 1.40 0.00 0.01 0.00 40 R H H 103.21 5.97 11.24 18.95 91.86 52.03 -64.11 -40.89 1.18 0.01 98.81 0.28 0.12 0.67 98.03 0.91 0.00 0.00 0.00 41 R H H 140.51 1.56 14.19 15.45 91.90 50.89 -65.14 -39.92 3.33 0.01 96.66 0.37 0.23 2.51 95.04 1.84 0.01 0.01 0.00 42 Q H H 114.64 1.77 14.13 15.87 92.61 50.88 -67.07 -36.15 8.00 0.02 91.98 0.51 0.45 6.70 90.32 1.99 0.01 0.01 0.01 43 L H H 73.20 7.57 10.53 19.61 93.68 52.34 -71.83 -25.52 21.57 0.28 78.15 4.70 2.89 14.05 75.57 2.49 0.03 0.12 0.15 44 R C H 148.77 4.06 12.51 18.06 95.31 73.54 -69.84 -22.97 50.53 2.13 47.33 21.50 9.68 19.97 43.62 3.24 0.06 1.03 0.90 45 K C C 147.46 1.85 13.65 15.89 103.26 66.09 -85.99 14.28 65.16 4.85 29.99 32.68 11.77 20.41 25.08 5.27 0.03 3.54 1.21 46 A C C 65.73 6.92 10.81 19.12 113.02 98.98 -78.53 136.75 71.52 10.12 18.36 48.46 11.62 10.89 13.80 5.16 0.02 8.41 1.65 47 S C C 62.37 6.12 13.22 20.80 122.34 -170.03 -113.00 148.08 55.85 31.24 12.91 40.07 8.39 7.02 8.73 4.62 0.06 27.21 3.91 48 M E E 115.30 5.81 14.49 21.74 117.97 -134.42 -96.62 134.96 45.93 48.61 5.46 36.03 6.14 2.10 4.66 1.68 0.03 37.15 12.21 49 V C C 47.11 13.88 9.29 23.33 119.30 -151.41 -101.45 141.25 64.11 33.29 2.60 57.32 4.77 0.92 2.17 0.75 0.00 27.13 6.94 50 A C C 58.87 2.90 16.28 19.41 119.32 -117.32 -75.43 161.72 89.22 9.29 1.49 86.29 2.53 0.49 1.23 0.26 0.00 8.25 0.96 51 K H H 152.75 2.38 12.74 16.69 92.31 -103.02 -58.59 -37.01 22.27 0.20 77.53 2.07 2.57 16.26 64.32 14.45 0.12 0.11 0.10 52 G H H 45.77 1.42 14.89 15.56 92.01 52.58 -64.42 -38.62 21.61 0.11 78.28 1.53 1.87 16.61 63.91 15.88 0.09 0.06 0.06 53 D H H 50.49 8.53 13.03 23.03 93.21 50.04 -69.53 -36.01 12.57 0.15 87.27 3.31 1.65 7.08 70.23 17.55 0.02 0.09 0.06 54 Y H H 77.85 10.96 12.52 24.47 92.12 57.16 -62.28 -41.85 1.44 0.01 98.56 0.49 0.16 0.67 97.82 0.85 0.00 0.00 0.00 55 K H H 126.23 1.53 17.50 17.93 91.79 51.13 -64.57 -41.02 0.49 0.00 99.50 0.10 0.04 0.29 99.16 0.41 0.00 0.00 0.00 56 R H H 126.84 2.41 16.64 19.01 92.00 49.73 -64.99 -41.23 0.39 0.00 99.61 0.07 0.03 0.24 99.30 0.36 0.00 0.00 0.00 57 I H H 47.74 10.94 12.97 25.12 92.48 49.92 -65.27 -41.81 0.36 0.00 99.64 0.05 0.02 0.22 99.41 0.30 0.00 0.00 0.00 58 R H H 128.83 4.52 15.45 21.24 91.68 52.01 -63.71 -39.65 0.88 0.00 99.12 0.09 0.04 0.64 98.57 0.66 0.00 0.00 0.00 59 Q H H 119.04 1.29 15.69 15.92 92.72 51.06 -67.19 -36.62 4.62 0.01 95.37 0.24 0.18 4.14 93.91 1.53 0.00 0.00 0.00 60 Q H H 93.71 4.24 12.95 18.55 94.44 51.57 -73.78 -28.46 10.55 0.02 89.43 0.78 0.63 8.84 87.50 2.22 0.01 0.01 0.01 61 L H H 76.44 7.60 9.51 18.52 99.33 69.28 -75.37 -26.71 21.51 0.49 77.99 8.22 3.28 10.37 65.82 11.77 0.04 0.26 0.23 62 A H H 77.95 2.16 11.10 14.27 98.48 64.06 -72.03 -20.50 42.19 0.84 56.98 9.50 4.27 26.92 44.79 13.58 0.07 0.47 0.40 63 R C T 173.62 1.51 9.92 12.34 102.55 58.49 -86.02 16.37 55.12 1.46 43.42 14.96 5.92 33.28 32.20 12.09 0.05 0.82 0.67 64 M C C 116.85 4.57 6.89 13.27 110.93 113.58 -87.44 119.60 74.36 2.64 23.01 58.12 2.58 13.71 19.17 3.68 0.00 1.37 1.38 65 K C C 157.18 1.88 11.72 14.84 110.13 -159.10 -92.41 111.00 99.85 0.10 0.05 99.75 0.08 0.07 0.02 0.00 0.00 0.05 0.01