# 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 G C C 49.60 2.99 10.47 15.14 121.44 -135.90 135.98 157.03 99.88 0.08 0.03 99.70 0.15 0.07 0.01 0.00 0.00 0.04 0.02 1 S C C 94.62 1.21 8.17 10.36 113.07 -84.19 -96.00 133.76 84.55 1.71 13.75 78.81 1.45 6.46 6.61 4.91 0.00 0.89 0.88 2 M C C 149.41 1.36 5.99 8.80 110.30 -149.90 -92.99 115.94 70.52 3.58 25.90 43.87 12.24 14.43 10.12 15.72 0.01 2.01 1.61 3 S C C 87.44 1.73 6.76 10.11 114.10 99.21 -96.84 130.46 64.63 3.71 31.66 40.56 11.21 12.93 10.56 21.18 0.01 2.32 1.22 4 R C C 187.46 1.06 7.82 9.74 104.70 -161.30 -93.97 12.26 61.76 5.60 32.64 35.22 13.58 13.71 11.99 20.13 0.03 3.66 1.68 5 Y C C 165.67 2.48 6.51 10.92 117.41 79.12 -105.33 131.19 68.81 9.56 21.64 48.46 11.31 8.57 10.93 11.23 0.03 6.64 2.84 6 Q C C 140.36 1.45 8.49 11.38 118.44 -161.59 -108.53 130.52 78.63 10.35 11.02 63.90 8.75 5.12 7.60 3.91 0.01 7.28 3.42 7 H C C 142.68 2.80 6.43 11.47 117.42 -158.69 -103.39 133.55 81.30 8.84 9.86 61.73 12.03 6.90 6.71 3.57 0.01 6.07 2.98 8 T C C 107.19 1.46 8.30 11.27 119.73 -167.42 -112.35 138.25 84.35 6.53 9.12 59.21 15.81 9.09 5.98 3.38 0.00 4.42 2.10 9 K C C 167.48 1.22 8.03 10.40 111.97 -129.84 -87.57 131.81 79.67 5.71 14.62 37.77 21.02 21.59 8.74 5.53 0.04 3.35 1.95 10 G C C 54.32 1.77 9.91 12.71 120.01 37.53 118.02 -173.68 78.80 6.13 15.07 35.32 24.48 19.99 8.75 5.83 0.04 3.80 1.78 11 Q C C 138.80 1.67 10.25 13.04 112.86 -55.68 -87.75 131.76 71.17 11.98 16.84 49.48 13.29 7.74 11.85 5.81 0.06 7.65 4.12 12 I C C 99.30 6.02 6.74 14.19 112.94 -149.48 -95.86 124.12 66.48 11.45 22.07 50.34 9.37 5.74 17.74 5.27 0.03 6.83 4.69 13 K C C 143.07 2.22 10.09 13.59 111.74 -146.56 -88.21 144.99 61.11 5.09 33.80 39.80 9.18 12.08 22.20 11.82 0.05 3.21 1.66 14 D C T 128.79 0.79 11.59 11.73 97.38 -13.90 -75.35 -10.47 62.27 2.19 35.54 14.07 17.29 31.55 21.69 12.77 0.36 1.05 1.22 15 N C C 81.62 4.59 10.10 16.38 108.21 44.37 -111.77 56.70 65.73 3.34 30.92 33.52 13.37 20.17 18.81 10.69 0.07 1.58 1.78 16 A H H 55.93 5.95 10.59 18.46 94.26 144.28 -62.84 -38.40 5.74 0.13 94.13 2.84 1.32 2.27 91.42 2.04 0.01 0.05 0.04 17 I H H 104.55 2.92 14.37 17.62 92.13 52.48 -65.16 -41.08 2.20 0.05 97.75 0.55 0.31 1.34 95.25 2.50 0.01 0.04 0.01 18 E H H 98.41 2.45 15.62 18.25 92.06 50.05 -65.08 -40.73 0.96 0.04 99.00 0.21 0.11 0.62 96.13 2.89 0.00 0.03 0.00 19 A H H 30.49 7.04 12.25 21.62 91.33 51.93 -64.20 -40.92 0.77 0.02 99.21 0.13 0.07 0.52 96.45 2.81 0.00 0.01 0.00 20 L H H 70.46 6.98 12.82 21.42 91.77 51.22 -65.52 -37.48 2.24 0.02 97.74 0.20 0.13 1.83 93.49 4.33 0.00 0.01 0.00 21 L H H 110.11 2.62 14.31 17.45 92.06 53.52 -69.89 -28.99 16.61 0.02 83.37 0.37 0.43 16.71 79.26 3.19 0.02 0.01 0.01 22 H C T 136.13 2.08 14.20 16.49 96.68 47.10 -94.19 -8.62 57.29 0.11 42.60 1.42 3.29 51.32 41.43 2.37 0.02 0.03 0.11 23 D C C 48.66 9.38 7.97 18.90 111.18 94.92 -86.73 118.93 99.07 0.52 0.41 72.12 26.58 0.17 0.38 0.04 0.00 0.09 0.60 24 P H H 96.37 2.06 12.92 15.88 93.95 -152.59 -62.46 -32.68 20.66 0.06 79.28 1.62 1.76 16.72 71.35 8.44 0.05 0.03 0.04 25 L H H 100.28 2.47 12.62 15.92 92.48 55.89 -66.68 -35.80 17.30 0.07 82.64 1.13 1.10 14.60 73.99 9.06 0.04 0.04 0.04 26 F H H 75.20 8.11 10.22 19.84 93.06 52.10 -69.18 -36.90 7.36 0.19 92.45 2.12 0.85 4.20 81.42 11.22 0.02 0.13 0.05 27 R H H 133.06 4.02 12.79 18.22 92.94 56.46 -65.41 -36.98 7.55 0.40 92.05 3.21 1.07 3.60 84.63 7.07 0.02 0.32 0.08 28 Q H H 117.72 1.76 14.06 15.62 93.76 53.58 -70.92 -32.79 19.19 1.41 79.40 5.81 2.43 11.14 72.25 6.76 0.11 1.20 0.31 29 R H H 131.30 4.15 13.03 18.26 96.58 52.22 -77.93 -25.79 27.10 2.92 69.98 11.38 4.23 11.87 64.54 4.98 0.09 2.29 0.61 30 V H H 67.47 8.05 10.65 19.88 106.85 59.66 -86.89 28.81 33.62 11.00 55.38 22.53 5.95 6.41 52.49 2.77 0.09 7.64 2.13 31 E H H 111.86 3.70 12.19 17.20 105.92 73.42 -79.94 49.80 41.10 11.93 46.96 30.27 5.04 5.42 45.89 2.35 0.04 9.08 1.92 32 K C H 136.61 2.85 11.57 15.62 105.11 52.91 -83.10 16.66 45.36 10.22 44.42 31.49 6.74 6.99 42.25 2.96 0.05 7.66 1.86 33 N C C 88.10 4.76 9.19 15.59 106.68 66.25 -85.24 86.16 58.04 5.02 36.95 39.90 7.41 9.77 34.89 3.28 0.02 3.55 1.19 34 K C C 154.80 1.95 9.69 12.92 97.32 52.45 -74.76 -18.24 61.01 4.79 34.20 30.02 13.04 18.61 29.36 4.41 0.09 2.97 1.49 35 K C T 154.57 1.34 9.96 11.86 99.76 55.62 -87.91 1.42 74.81 2.33 22.86 18.15 17.21 38.94 18.83 4.51 0.08 1.22 1.06 36 G C T 53.51 2.31 9.81 13.43 103.58 -89.38 80.64 4.53 87.77 1.49 10.74 22.81 25.77 39.61 6.34 4.00 0.01 0.75 0.70 37 K C C 142.37 2.25 10.24 13.77 109.10 108.52 -90.52 104.33 79.76 3.53 16.70 35.09 21.83 23.46 10.27 5.91 0.04 1.66 1.74 38 G C C 41.03 4.88 10.53 17.03 113.09 -96.90 71.52 173.97 71.23 3.54 25.23 33.22 18.53 20.03 15.83 8.93 0.06 1.96 1.43 39 S C C 69.49 4.14 11.19 16.72 110.14 -98.50 -85.14 134.93 53.11 5.85 41.04 27.55 12.50 13.68 26.87 13.73 0.10 3.99 1.57 40 Y H H 148.38 4.27 10.76 16.40 103.29 -119.44 -86.77 2.09 42.67 12.00 45.33 22.76 9.59 12.07 31.48 12.39 0.32 8.70 2.68 41 M C H 113.71 4.22 11.05 16.74 106.78 68.09 -89.24 73.58 44.67 11.55 43.78 28.69 8.48 8.36 33.07 10.18 0.10 8.74 2.38 42 R H H 139.51 4.15 10.20 15.90 105.65 90.44 -84.17 45.66 45.88 7.29 46.83 31.30 8.69 7.31 39.90 5.79 0.05 5.20 1.76 43 K H H 142.71 2.73 10.76 14.84 103.06 54.97 -76.29 5.02 36.50 3.37 60.13 18.74 7.50 12.49 49.19 8.70 0.11 2.32 0.95 44 G H H 48.55 3.01 10.92 15.10 100.72 42.97 -45.27 -28.60 40.10 1.74 58.17 15.73 8.10 17.52 44.75 12.09 0.10 1.08 0.63 45 K H H 143.78 2.32 10.97 14.37 98.52 52.27 -76.59 -23.85 40.44 2.13 57.43 16.98 8.78 16.43 43.38 12.22 0.15 1.20 0.87 46 H C H 127.98 3.46 9.61 14.54 102.04 54.06 -86.96 -0.35 50.02 3.20 46.78 21.03 11.83 19.72 35.35 8.68 0.21 1.54 1.64 47 G C C 49.19 3.51 10.44 15.35 106.53 69.71 -69.56 -15.54 71.93 1.99 26.08 29.53 15.33 27.90 18.16 7.06 0.03 0.93 1.06 48 N C C 120.87 2.17 10.79 13.94 103.95 56.00 -89.16 40.62 76.59 2.31 21.10 34.31 17.94 25.11 13.35 6.97 0.02 1.06 1.23 49 R C C 151.70 3.32 9.62 14.76 110.18 127.00 -89.08 116.60 70.88 2.30 26.82 32.60 18.33 21.12 18.28 7.30 0.05 0.97 1.37 50 G C C 43.62 4.00 10.70 16.23 111.44 16.76 -74.78 -21.97 68.85 1.48 29.67 29.58 18.66 22.05 20.31 7.85 0.03 0.62 0.90 51 N C H 105.33 3.00 10.63 14.91 101.63 -11.19 -79.76 -3.41 52.90 1.97 45.13 30.16 10.96 13.19 32.67 11.06 0.04 0.96 0.96 52 W H H 164.20 3.36 9.55 14.49 95.77 97.69 -69.07 -30.02 37.63 3.31 59.06 20.29 7.56 11.12 41.75 16.01 0.09 2.09 1.08 53 E H H 135.39 2.09 10.49 13.76 95.49 58.98 -72.10 -28.25 35.32 3.81 60.87 19.04 6.96 10.67 44.31 15.27 0.11 2.52 1.13 54 A H H 78.45 2.84 8.67 13.10 97.96 56.41 -80.94 -11.64 44.79 3.22 51.99 22.61 8.70 15.16 38.14 12.14 0.11 1.92 1.23 55 S C C 81.55 2.63 9.08 13.28 103.20 73.11 -86.91 16.63 69.16 1.79 29.04 46.02 3.67 20.02 23.69 4.69 0.01 0.89 1.02 56 G C C 53.49 2.83 12.45 16.53 108.74 -107.45 79.67 16.95 99.82 0.10 0.08 98.97 0.47 0.43 0.05 0.01 0.00 0.05 0.02