# 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 115.56 5.57 10.92 18.13 115.26 -153.88 -94.83 130.55 99.85 0.13 0.02 99.78 0.10 0.04 0.01 0.00 0.00 0.06 0.02 1 S C C 73.87 4.04 9.57 15.40 113.75 -136.46 -89.86 136.59 92.39 2.58 5.03 88.52 1.14 3.72 2.59 1.45 0.00 1.41 1.17 2 K C C 159.92 1.80 9.91 13.11 107.61 -129.37 -83.75 92.37 82.99 3.22 13.78 38.35 15.69 29.86 5.41 7.53 0.01 1.69 1.46 3 G C C 53.64 2.83 10.91 15.02 105.36 25.11 46.30 -4.00 81.60 2.22 16.18 32.19 19.68 30.72 6.24 8.98 0.01 1.09 1.10 4 H C C 123.57 4.57 10.67 16.88 105.65 80.73 -86.40 48.20 75.50 3.78 20.72 44.53 18.99 12.31 11.45 8.92 0.01 1.79 1.99 5 S C C 60.50 5.30 12.07 18.91 112.40 129.31 -88.66 134.73 72.62 5.08 22.30 49.58 13.40 9.09 16.45 6.45 0.02 2.42 2.59 6 L C H 95.10 6.22 13.68 21.11 94.91 -117.75 -67.85 -27.98 57.12 1.38 41.50 17.96 14.38 25.62 34.38 6.20 0.09 0.65 0.71 7 Q H H 73.20 11.52 14.34 26.14 94.10 60.02 -69.83 -32.93 39.90 0.46 59.64 12.39 8.90 19.22 54.67 4.31 0.04 0.19 0.27 8 D H H 65.52 7.82 15.85 24.77 94.23 59.59 -65.95 -39.16 14.18 0.11 85.72 7.99 3.11 3.34 83.89 1.58 0.00 0.04 0.05 9 P H H 73.03 3.37 18.98 22.41 92.34 52.86 -64.71 -39.69 5.54 0.06 94.40 2.23 0.71 2.59 93.15 1.27 0.01 0.03 0.02 10 Y H H 69.41 12.26 18.19 30.84 92.38 50.17 -65.25 -41.97 2.54 0.03 97.43 0.76 0.31 1.42 96.51 0.97 0.00 0.02 0.01 11 L H H 25.80 17.44 16.63 34.14 91.92 50.12 -64.01 -41.94 1.29 0.02 98.70 0.39 0.14 0.66 98.46 0.34 0.00 0.00 0.00 12 N H H 75.38 4.17 21.45 25.68 91.56 51.07 -63.51 -41.26 1.63 0.01 98.35 0.53 0.16 0.84 98.22 0.24 0.00 0.01 0.00 13 T H H 47.30 5.15 19.90 26.18 91.61 50.46 -63.95 -41.90 1.32 0.01 98.67 0.27 0.12 0.83 98.55 0.22 0.00 0.01 0.00 14 L H H 15.74 18.05 14.16 32.65 91.87 50.20 -64.44 -42.22 0.97 0.01 99.02 0.19 0.09 0.59 98.79 0.32 0.00 0.01 0.00 15 R H H 106.83 10.37 16.37 27.17 91.99 50.26 -64.45 -40.57 1.33 0.01 98.66 0.17 0.08 0.93 98.21 0.61 0.00 0.00 0.00 16 K H H 151.71 1.24 18.03 18.20 92.39 48.97 -67.29 -35.38 5.06 0.01 94.92 0.21 0.24 4.36 94.40 0.77 0.01 0.00 0.00 17 E H H 104.40 4.78 15.48 21.33 95.50 42.82 -90.51 -3.22 41.05 0.06 58.89 1.18 2.18 36.00 59.64 0.92 0.02 0.02 0.05 18 R C T 154.77 5.16 16.60 23.50 94.12 -124.96 58.50 41.14 96.82 0.16 3.02 9.45 2.71 84.48 2.91 0.30 0.00 0.08 0.08 19 V C C 28.28 14.83 14.06 30.09 117.02 164.67 -99.36 132.57 95.79 4.19 0.02 86.44 9.28 0.12 0.00 0.01 0.00 3.95 0.20 20 P C C 59.70 7.41 23.31 31.22 113.20 -114.53 -69.21 139.79 69.93 30.06 0.01 68.85 0.69 0.03 0.00 0.00 0.00 30.23 0.20 21 V E E 6.06 24.63 14.62 39.69 131.35 -174.48 -132.38 147.69 1.56 98.44 0.00 1.51 0.03 0.00 0.00 0.00 0.00 98.38 0.07 22 S E E 24.25 9.86 25.53 36.67 120.42 -148.33 -110.99 133.27 0.12 99.88 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 23 I E E 6.72 23.79 17.90 42.22 120.51 -162.19 -115.74 128.78 0.04 99.96 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 24 Y E E 65.13 8.84 22.91 32.97 115.62 -156.12 -107.79 122.55 0.11 99.89 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.88 0.00 25 L E E 19.65 16.61 13.71 31.07 122.04 -151.33 -87.71 161.48 16.49 83.48 0.02 16.21 0.38 0.03 0.00 0.02 0.00 82.97 0.38 26 V C T 86.18 8.78 14.35 24.26 91.46 -107.08 -62.50 -25.08 96.55 1.90 1.55 0.52 2.92 93.60 0.03 1.45 0.00 1.33 0.14 27 N C T 108.75 2.55 15.29 18.39 92.83 57.22 -86.70 1.74 98.33 0.18 1.49 0.25 2.26 95.81 0.03 1.53 0.00 0.09 0.03 28 G C S 46.92 3.74 14.73 19.62 97.64 -100.83 89.91 5.28 98.01 0.54 1.45 10.70 80.37 6.82 0.07 1.54 0.00 0.31 0.19 29 I C C 67.77 8.15 13.58 23.72 116.07 136.72 -79.99 138.00 90.88 9.09 0.03 90.86 0.72 0.05 0.01 0.01 0.00 8.01 0.33 30 K E E 107.89 8.39 17.66 27.40 120.65 -152.98 -109.04 132.56 1.48 98.52 0.00 1.49 0.06 0.00 0.00 0.00 0.00 98.21 0.23 31 L E E 19.35 19.47 15.74 35.46 125.73 -171.39 -122.22 139.34 0.33 99.67 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.65 0.01 32 Q E E 89.56 8.16 23.58 32.27 122.54 -155.94 -110.01 136.99 1.62 98.37 0.01 1.42 0.08 0.01 0.00 0.00 0.00 98.46 0.02 33 G E E 9.25 13.51 20.56 35.32 144.10 118.98 -174.06 -176.26 7.36 92.62 0.02 5.84 1.11 0.05 0.00 0.01 0.00 92.94 0.05 34 Q E E 70.56 7.77 25.12 33.86 124.13 -75.56 -115.70 142.10 5.10 94.89 0.02 4.71 0.31 0.02 0.00 0.01 0.00 94.68 0.26 35 I E E 13.83 23.26 13.81 37.55 109.62 -114.25 -74.00 125.95 8.09 91.85 0.05 8.03 0.21 0.02 0.01 0.02 0.00 91.54 0.17 36 E E E 92.04 5.89 21.78 28.43 100.31 176.41 -95.76 -32.04 7.59 92.36 0.04 4.40 2.58 0.17 0.01 0.02 0.00 92.78 0.04 37 S E E 47.77 4.83 23.44 28.99 141.73 -2.56 -159.15 156.71 1.76 98.21 0.02 1.32 0.25 0.05 0.00 0.01 0.00 98.32 0.04 38 F E E 71.67 19.77 11.32 29.52 131.87 -170.42 -143.41 142.65 5.43 94.52 0.05 4.60 0.65 0.10 0.01 0.02 0.00 93.76 0.86 39 D C C 65.90 3.18 20.95 23.69 132.46 170.89 -129.57 173.09 85.31 14.62 0.07 78.95 4.47 0.42 0.01 0.05 0.00 15.67 0.42 40 Q C S 126.85 4.88 16.20 22.48 92.51 -81.83 -64.20 -26.53 99.58 0.31 0.11 1.86 79.69 18.09 0.01 0.09 0.00 0.21 0.05 41 F C S 101.02 9.36 15.93 25.88 104.50 23.67 -112.24 -8.20 98.61 1.30 0.09 1.99 75.61 21.11 0.00 0.08 0.00 1.13 0.08 42 V E E 33.88 12.12 18.77 32.12 135.01 42.84 -139.68 149.46 11.86 88.14 0.01 9.97 1.16 0.05 0.00 0.01 0.00 88.57 0.24 43 I E E 9.04 21.15 17.14 39.10 120.95 -156.98 -116.24 130.48 0.36 99.64 0.00 0.36 0.01 0.00 0.00 0.00 0.00 99.62 0.01 44 L E E 33.67 9.92 23.75 35.28 119.26 -158.28 -109.13 129.61 0.12 99.88 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 45 L E E 15.23 18.97 15.40 35.10 121.52 -166.25 -111.75 133.06 1.19 98.81 0.00 1.04 0.04 0.00 0.00 0.00 0.00 98.88 0.03 46 K E E 100.35 6.73 18.06 25.87 116.90 -154.09 -105.84 128.93 22.42 77.49 0.09 18.17 2.77 0.41 0.01 0.06 0.00 78.33 0.25 47 N C C 67.11 9.17 11.44 21.70 128.88 158.29 -129.20 165.49 83.57 16.00 0.43 57.32 18.96 5.00 0.07 0.38 0.00 17.81 0.46 48 T C C 116.17 1.28 13.68 14.72 98.88 -68.63 -78.59 -17.07 95.05 4.52 0.44 67.35 20.76 6.52 0.09 0.37 0.00 4.57 0.35 49 V C C 93.27 2.70 12.16 16.15 124.95 37.09 -118.94 146.46 83.63 15.94 0.43 64.21 13.35 3.72 0.09 0.36 0.00 17.77 0.51 50 S E E 66.71 7.90 11.34 20.72 118.21 -122.47 -93.09 134.65 45.69 54.09 0.23 40.22 2.42 0.45 0.04 0.14 0.00 56.42 0.32 51 Q E E 71.30 9.45 15.33 26.18 128.69 -175.03 -131.38 145.12 10.60 89.25 0.15 9.67 0.55 0.08 0.06 0.06 0.00 89.41 0.17 52 M E E 96.79 8.21 18.68 27.87 115.88 -130.37 -95.03 130.09 2.10 97.72 0.18 2.00 0.10 0.02 0.09 0.04 0.00 97.65 0.09 53 V E E 20.38 18.63 14.27 33.30 125.06 -168.91 -119.13 139.67 2.06 97.71 0.23 2.00 0.09 0.02 0.14 0.06 0.00 97.50 0.18 54 Y E E 99.59 6.56 21.13 28.22 111.56 -119.03 -78.77 132.37 16.73 82.55 0.72 16.03 0.67 0.16 0.35 0.32 0.00 81.87 0.61 55 K H G 82.36 15.79 13.59 28.91 92.42 -129.74 -61.47 -32.44 12.07 3.78 84.15 3.41 2.32 6.43 3.02 80.93 0.01 3.78 0.10 56 H H G 139.96 2.32 20.19 22.69 91.27 64.93 -68.74 -18.18 11.83 3.79 84.38 1.72 2.00 8.64 2.94 81.12 0.02 3.40 0.15 57 A H G 31.42 12.24 15.79 29.15 93.81 59.55 -86.93 -10.37 12.05 4.56 83.39 2.74 2.36 7.52 2.53 80.28 0.01 4.44 0.12 58 I E E 19.76 22.88 10.03 31.93 116.64 90.82 -89.42 131.02 19.63 75.62 4.74 16.92 3.07 1.05 1.96 2.47 0.03 72.74 1.76 59 S E E 71.05 3.67 19.80 24.05 100.22 173.53 -93.24 -32.47 23.35 75.74 0.91 10.02 12.60 1.88 0.13 0.60 0.00 74.53 0.25 60 T E E 67.09 4.35 22.19 27.10 137.90 4.17 -150.67 150.79 4.34 95.06 0.60 2.79 1.00 0.52 0.09 0.33 0.00 95.19 0.08 61 V E E 46.67 19.60 12.85 31.62 120.17 -147.79 -115.94 127.71 2.59 97.33 0.08 2.31 0.23 0.05 0.03 0.03 0.00 97.14 0.21 62 V E E 63.56 7.05 19.79 27.93 121.23 -171.57 -121.53 126.72 7.70 92.28 0.02 6.97 0.40 0.02 0.01 0.01 0.00 92.37 0.22 63 P E E 67.91 9.28 15.60 25.83 114.78 -111.55 -66.10 147.78 24.74 75.12 0.14 21.40 2.73 0.42 0.03 0.11 0.00 74.48 0.82 64 S C C 59.59 11.33 11.91 23.54 103.09 -117.67 -78.30 16.46 89.70 9.88 0.43 59.46 28.35 2.05 0.07 0.44 0.00 8.65 0.99 65 R C C 154.53 2.43 15.55 18.82 122.61 35.29 -111.76 141.87 91.53 8.25 0.21 46.32 44.92 0.95 0.04 0.19 0.00 6.51 1.09 66 P C C 100.10 4.09 12.63 18.72 113.10 -103.23 -66.30 141.56 90.49 9.02 0.49 83.69 5.33 1.36 0.11 0.43 0.00 7.69 1.40 67 V C C 66.85 11.14 8.62 20.45 118.90 -150.56 -104.53 134.40 84.90 14.58 0.52 78.28 5.33 1.24 0.14 0.42 0.00 10.06 4.52 68 R C C 179.93 1.48 14.44 16.39 114.43 -145.09 -98.12 124.19 84.86 14.82 0.32 76.72 7.37 0.88 0.10 0.26 0.00 9.23 5.44 69 L C C 83.01 9.79 8.29 18.99 119.45 -156.69 -98.43 138.76 94.69 5.13 0.19 82.72 11.67 0.57 0.05 0.14 0.00 3.63 1.23 70 P C C 85.30 3.91 11.54 17.16 113.21 -108.27 -67.81 150.28 94.88 2.65 2.48 81.23 7.51 5.82 0.41 2.37 0.00 1.74 0.92 71 S C C 89.80 2.25 10.66 14.59 110.98 -114.31 -85.94 131.97 89.82 2.43 7.75 58.29 14.45 15.71 1.01 8.04 0.00 1.20 1.31 72 G C C 51.70 3.49 10.32 15.24 115.11 25.78 67.60 167.62 89.80 1.65 8.55 39.83 24.23 24.69 0.90 8.74 0.00 0.80 0.81 73 D C C 116.77 2.22 10.89 14.40 105.20 -101.79 -90.39 62.16 89.06 1.89 9.05 44.67 26.22 17.26 1.20 8.68 0.00 0.87 1.09 74 Q C C 110.21 4.36 9.68 16.02 116.85 94.29 -90.20 138.79 91.33 2.48 6.19 58.21 26.82 6.03 1.53 4.73 0.00 1.10 1.58 75 P C C 98.47 3.34 10.65 15.73 109.59 -106.08 -68.64 144.50 87.68 2.14 10.18 49.75 12.95 24.07 1.60 9.54 0.00 1.15 0.93 76 A C C 78.43 4.18 9.15 15.11 109.99 -110.95 -83.23 120.34 86.02 3.88 10.10 44.70 17.13 23.75 1.56 9.11 0.00 1.89 1.85 77 E C C 118.62 3.92 8.94 14.80 116.52 -131.60 -89.13 137.88 94.09 3.00 2.91 61.27 29.73 2.90 0.99 1.81 0.00 1.20 2.09 78 P C C 108.98 2.17 9.51 13.40 109.42 -103.32 -67.05 143.97 90.61 1.49 7.91 49.51 10.91 29.93 1.34 6.84 0.00 0.80 0.68 79 G C C 60.44 1.60 9.73 12.46 104.71 8.73 66.37 -0.88 90.87 2.14 6.99 38.55 14.61 37.63 0.97 6.24 0.00 1.12 0.87 80 N C C 119.84 2.36 8.50 12.51 107.85 84.97 -88.91 83.44 90.08 3.26 6.66 74.39 3.51 12.57 1.31 4.78 0.00 1.94 1.51 81 A C C 78.24 3.96 10.03 15.73 106.69 -148.12 -81.43 80.39 99.71 0.26 0.03 99.56 0.18 0.06 0.01 0.00 0.00 0.13 0.05