# 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 115.92 5.57 10.73 17.79 114.13 -159.27 -92.81 128.98 99.80 0.17 0.03 99.72 0.11 0.06 0.01 0.00 0.00 0.08 0.03 1 A C C 83.17 2.76 8.83 13.42 111.98 -136.50 -85.81 136.20 91.18 4.22 4.60 78.11 2.33 11.29 1.70 2.16 0.00 2.97 1.45 2 G C C 56.77 2.07 9.14 12.62 113.67 -93.01 -94.72 151.59 89.62 4.36 6.02 44.11 23.23 22.79 1.19 4.70 0.00 2.66 1.32 3 K C C 149.77 2.67 8.66 13.20 113.14 -114.09 -93.08 132.19 86.38 5.35 8.27 57.85 18.97 9.51 1.81 6.73 0.00 3.55 1.58 4 K C C 139.21 3.47 9.23 14.60 114.25 -141.17 -92.10 132.02 84.00 8.10 7.90 64.11 12.47 7.26 2.06 6.11 0.00 5.78 2.21 5 E C C 139.02 3.03 11.08 16.03 115.36 -147.08 -97.14 131.47 83.56 11.39 5.05 63.09 14.89 5.25 1.71 3.51 0.00 7.85 3.69 6 F C C 91.54 9.20 9.51 19.95 121.41 -167.16 -115.38 134.17 88.55 9.92 1.53 70.85 16.22 1.42 0.75 0.79 0.00 6.32 3.65 7 S C C 52.31 4.66 15.34 21.42 110.76 -143.51 -98.12 117.23 92.46 6.85 0.70 88.76 3.41 0.47 0.36 0.27 0.00 3.94 2.79 8 I H G 66.75 13.52 9.92 23.78 93.26 -149.78 -64.73 -29.03 41.78 0.97 57.25 5.17 4.57 29.32 2.85 57.18 0.00 0.65 0.26 9 F H G 135.90 4.09 13.54 19.03 92.66 62.63 -71.82 -20.91 45.27 0.44 54.29 1.84 3.17 38.23 2.17 54.17 0.00 0.28 0.14 10 D H G 109.02 1.77 14.90 16.65 97.05 48.41 -92.98 -4.23 42.76 0.61 56.63 3.41 4.89 31.42 1.90 57.81 0.00 0.38 0.19 11 H C C 65.97 13.14 8.19 21.28 117.12 92.28 -93.12 135.90 89.48 4.75 5.77 63.89 20.97 4.69 1.85 3.79 0.00 2.52 2.29 12 V C C 107.56 3.15 15.18 19.47 112.45 -150.45 -99.21 120.07 77.69 19.68 2.63 59.08 14.69 3.62 0.99 1.82 0.01 13.51 6.29 13 L C C 94.92 8.03 13.14 22.26 111.21 -127.55 -86.76 119.28 62.74 35.77 1.49 48.72 10.79 2.08 0.66 1.06 0.00 23.94 12.75 14 V C C 59.82 11.78 12.29 24.95 118.11 -150.10 -107.65 124.88 69.39 30.49 0.12 63.66 5.72 0.19 0.05 0.08 0.00 25.72 4.58 15 P C C 58.88 9.10 14.74 25.23 115.75 -115.37 -68.18 152.70 85.92 14.00 0.09 76.92 7.37 0.56 0.01 0.08 0.00 14.46 0.60 16 E C C 126.24 4.16 18.00 23.27 112.20 -101.76 -73.34 131.86 82.12 17.77 0.12 72.99 7.39 0.62 0.02 0.11 0.00 17.95 0.91 17 H E E 56.19 18.32 10.71 28.07 128.20 -168.94 -121.84 147.34 34.00 65.93 0.06 32.24 1.78 0.10 0.02 0.04 0.00 63.83 1.99 18 R E E 132.28 4.72 21.16 26.81 121.82 -142.40 -115.84 135.97 9.77 90.21 0.02 9.56 0.32 0.03 0.01 0.01 0.00 87.60 2.47 19 V E E 64.18 14.01 15.51 29.64 114.31 -126.68 -84.33 131.18 17.75 82.20 0.05 17.47 0.62 0.06 0.03 0.03 0.00 78.70 3.10 20 L C C 24.35 17.71 10.65 28.42 117.80 -126.34 -80.95 149.02 88.48 11.46 0.06 87.52 1.64 0.06 0.02 0.02 0.00 10.19 0.54 21 S C C 56.28 2.57 19.17 21.03 120.87 -114.32 -74.81 163.51 99.24 0.53 0.22 99.04 0.37 0.07 0.15 0.02 0.00 0.26 0.09 22 E H H 133.75 3.78 12.69 18.50 90.86 -100.98 -57.77 -38.42 1.75 0.00 98.25 0.40 0.30 0.82 98.19 0.29 0.00 0.00 0.00 23 E H H 138.20 0.86 16.75 15.64 91.78 52.40 -64.24 -40.30 0.87 0.00 99.13 0.16 0.10 0.50 98.92 0.32 0.00 0.00 0.00 24 E H H 65.38 8.84 14.70 25.02 92.18 48.71 -66.00 -40.02 0.47 0.00 99.53 0.12 0.04 0.24 99.28 0.32 0.00 0.00 0.00 25 K H H 46.44 16.91 13.46 30.04 91.72 52.07 -62.48 -42.47 0.31 0.00 99.69 0.07 0.03 0.14 99.69 0.06 0.00 0.00 0.00 26 K H H 115.52 3.37 19.88 23.46 91.53 50.12 -63.89 -41.16 0.42 0.00 99.57 0.07 0.03 0.21 99.66 0.03 0.00 0.00 0.00 27 A H H 51.79 2.58 20.48 22.36 91.40 49.87 -63.87 -41.76 0.65 0.00 99.35 0.11 0.04 0.35 99.46 0.03 0.00 0.00 0.00 28 L H H 13.67 15.74 15.42 32.47 91.92 49.81 -64.23 -42.66 0.88 0.01 99.10 0.14 0.09 0.51 99.19 0.06 0.00 0.00 0.00 29 L H H 25.44 14.56 13.95 29.52 91.94 50.33 -63.83 -41.43 0.90 0.01 99.09 0.19 0.09 0.49 99.09 0.13 0.00 0.00 0.00 30 E H H 139.84 1.21 18.15 18.11 91.98 49.71 -65.17 -40.42 1.58 0.01 98.41 0.20 0.09 1.14 98.11 0.46 0.00 0.00 0.00 31 K H H 129.28 2.94 16.01 19.76 92.00 49.39 -66.64 -36.84 4.31 0.01 95.68 0.13 0.18 3.93 95.25 0.49 0.01 0.00 0.00 32 Y H H 67.26 12.62 11.68 25.16 98.01 35.25 -101.19 4.64 37.58 0.05 62.37 0.89 2.42 33.40 62.13 1.08 0.02 0.01 0.04 33 K C T 172.05 0.83 18.40 17.66 92.88 -122.55 56.43 40.90 99.76 0.01 0.22 10.28 2.46 87.10 0.08 0.06 0.00 0.01 0.01 34 I C C 30.44 16.71 8.92 25.37 128.09 134.29 -118.89 151.82 99.68 0.25 0.07 96.27 3.28 0.09 0.03 0.02 0.00 0.06 0.25 35 T C C 77.53 2.13 22.42 22.73 123.13 -130.72 -99.04 155.17 99.77 0.13 0.11 99.46 0.34 0.04 0.02 0.03 0.00 0.04 0.07 36 L H G 70.21 16.59 11.19 26.96 91.48 -112.83 -58.21 -34.33 5.00 0.03 94.96 0.33 0.36 2.93 0.25 96.10 0.00 0.02 0.00 37 A H G 86.85 1.85 18.35 20.37 90.03 62.67 -69.08 -18.12 4.84 0.03 95.13 0.16 0.25 3.18 0.17 96.22 0.00 0.02 0.00 38 Q H G 97.10 6.77 17.91 25.71 94.17 59.36 -90.36 -4.14 5.84 0.04 94.13 0.47 0.51 2.92 0.20 95.87 0.00 0.02 0.00 39 L C S 14.55 23.76 11.17 34.35 117.80 101.42 -80.02 139.62 99.45 0.44 0.11 46.53 52.81 0.23 0.03 0.05 0.00 0.14 0.22 40 P C C 33.28 12.72 20.44 33.95 115.02 -108.88 -67.53 149.24 97.69 2.29 0.02 92.99 4.71 0.13 0.00 0.01 0.00 1.86 0.29 41 Q E E 90.83 11.54 22.74 34.10 120.89 -132.37 -98.28 140.31 12.19 87.75 0.06 11.65 0.61 0.06 0.03 0.03 0.00 76.26 11.35 42 I E E 12.95 23.44 13.84 37.30 119.95 -149.07 -107.20 133.08 13.55 86.42 0.03 13.68 0.28 0.02 0.02 0.01 0.00 81.37 4.61 43 K E E 96.85 5.42 23.25 28.56 115.74 -125.14 -79.51 142.87 40.36 59.23 0.41 39.72 0.98 0.28 0.10 0.30 0.00 54.29 4.33 44 A C T 50.70 14.38 12.86 27.36 91.59 -123.05 -62.16 -26.49 99.17 0.15 0.69 0.57 3.10 95.68 0.03 0.51 0.00 0.08 0.03 45 S C T 89.94 1.43 19.11 19.62 93.40 57.20 -89.42 -0.13 99.38 0.03 0.59 0.68 2.99 95.74 0.02 0.55 0.00 0.02 0.01 46 D C C 25.74 16.18 10.20 27.12 112.73 121.00 -69.47 132.72 99.67 0.18 0.14 79.13 20.39 0.10 0.09 0.03 0.00 0.03 0.23 47 P H H 78.76 3.99 20.41 25.06 91.35 -131.41 -60.53 -33.34 4.22 0.00 95.78 0.17 0.36 3.96 95.19 0.32 0.01 0.00 0.00 48 A H H 16.26 17.08 17.22 34.52 91.71 56.23 -64.84 -40.00 1.43 0.00 98.56 0.06 0.08 1.37 98.11 0.37 0.00 0.00 0.00 49 V H H 8.81 22.10 14.16 36.13 91.98 50.48 -64.52 -42.10 0.22 0.00 99.78 0.02 0.01 0.15 99.46 0.34 0.00 0.00 0.00 50 K H H 136.45 3.06 19.99 23.83 91.76 50.06 -64.46 -40.39 0.18 0.00 99.82 0.01 0.01 0.13 99.41 0.44 0.00 0.00 0.00 51 A H H 62.11 6.17 19.02 25.96 91.78 51.34 -66.85 -34.41 1.52 0.00 98.48 0.04 0.06 1.50 97.99 0.41 0.00 0.00 0.00 52 L H H 27.77 18.59 14.36 32.79 94.04 44.60 -87.64 -11.54 30.70 0.01 69.29 0.27 0.85 29.80 68.53 0.53 0.01 0.00 0.01 53 G C T 48.89 2.83 23.45 26.25 94.99 -120.47 71.46 29.32 99.78 0.00 0.21 9.32 1.11 89.42 0.12 0.03 0.00 0.00 0.00 54 A C C 8.76 24.47 9.46 32.95 118.35 168.81 -78.17 146.38 99.71 0.26 0.02 99.05 0.61 0.03 0.01 0.00 0.00 0.06 0.24 55 K C C 118.86 2.53 24.69 27.04 131.35 -167.10 -129.14 156.97 99.89 0.10 0.01 99.13 0.73 0.02 0.00 0.00 0.00 0.02 0.09 56 P C T 80.44 9.93 16.61 27.31 110.05 -75.60 -58.54 135.57 99.87 0.06 0.07 0.06 1.21 98.65 0.00 0.04 0.00 0.02 0.02 57 G C T 36.96 5.92 20.29 27.33 96.45 25.20 89.87 -6.84 99.93 0.03 0.04 0.13 1.18 98.64 0.00 0.03 0.00 0.02 0.00 58 D C C 28.91 14.22 17.87 33.30 117.80 131.27 -72.70 147.07 93.11 6.88 0.01 89.35 3.87 0.07 0.00 0.01 0.00 6.44 0.26 59 V E E 29.41 14.42 22.59 37.74 116.44 -133.85 -102.62 128.64 2.19 97.81 0.00 2.32 0.04 0.00 0.00 0.00 0.00 97.39 0.24 60 I E E 7.49 23.19 19.07 42.30 127.06 -170.86 -121.37 143.09 0.25 99.75 0.00 0.24 0.00 0.00 0.00 0.00 0.00 99.75 0.00 61 E E E 53.81 11.45 24.58 36.50 118.73 -149.06 -107.32 129.66 0.10 99.90 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 62 I E E 13.57 21.12 16.87 38.23 118.70 -157.86 -107.60 128.19 0.09 99.91 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 63 K E E 81.32 9.13 19.94 29.95 119.46 -165.56 -113.01 129.95 0.23 99.77 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.80 0.00 64 R E E 82.04 10.38 15.14 26.74 131.88 174.68 -136.24 149.02 1.37 98.63 0.00 1.16 0.06 0.00 0.00 0.00 0.00 98.76 0.02 65 K E E 138.01 3.42 14.51 19.50 114.32 -118.56 -86.64 129.28 10.60 89.39 0.01 9.17 0.91 0.06 0.00 0.01 0.00 89.65 0.21 66 S E E 34.45 10.51 7.54 19.06 121.03 -169.56 -113.60 138.77 47.19 52.77 0.04 44.06 1.86 0.17 0.01 0.04 0.00 53.07 0.80 67 P C T 124.11 0.77 10.87 11.45 93.46 -124.27 -64.51 -26.25 98.42 0.52 1.05 0.78 13.09 84.53 0.03 1.12 0.00 0.34 0.10 68 T C T 118.17 0.65 10.44 10.39 100.27 40.43 -89.46 -25.82 99.11 0.10 0.79 0.65 12.97 85.45 0.02 0.82 0.00 0.05 0.03 69 A C T 66.11 4.02 9.44 14.93 104.36 25.19 -105.59 -16.35 98.02 1.07 0.90 2.83 16.04 79.07 0.03 1.04 0.00 0.80 0.19 70 G E E 39.16 2.29 13.78 16.90 120.81 -127.37 83.87 -164.84 37.79 62.04 0.17 25.61 8.64 2.98 0.03 0.18 0.00 61.93 0.63 71 V E E 92.36 4.70 12.44 18.79 119.07 -10.87 -97.03 136.73 9.44 90.54 0.01 7.76 0.99 0.10 0.00 0.01 0.00 90.97 0.17 72 Y E E 83.43 10.08 12.89 24.54 128.27 -174.21 -127.66 147.51 1.54 98.46 0.00 1.27 0.08 0.00 0.00 0.00 0.00 98.62 0.02 73 Y E E 99.10 9.73 16.32 27.16 120.02 -141.10 -108.35 132.83 0.57 99.43 0.00 0.50 0.02 0.00 0.00 0.00 0.00 99.48 0.00 74 Y E E 57.33 13.59 16.85 31.27 127.61 -171.94 -122.54 146.00 0.84 99.16 0.00 0.72 0.03 0.00 0.00 0.00 0.00 99.25 0.01 75 Y E E 54.39 14.19 18.79 33.68 125.06 -153.56 -119.08 141.24 1.98 98.02 0.00 1.76 0.03 0.00 0.00 0.00 0.00 98.19 0.01 76 R E E 36.02 17.43 20.23 37.57 126.17 -164.70 -122.12 141.13 2.22 97.78 0.00 1.92 0.06 0.00 0.00 0.00 0.00 98.00 0.01 77 V E E 23.06 15.05 23.11 38.80 119.02 -148.69 -104.06 131.69 0.80 99.20 0.00 0.71 0.01 0.00 0.00 0.00 0.00 99.26 0.01 78 V E E 11.86 20.37 18.37 39.21 119.67 -155.71 -106.38 131.53 1.11 98.89 0.00 1.01 0.02 0.00 0.00 0.00 0.00 98.92 0.04 79 V E E 38.91 11.49 18.94 31.72 123.85 -168.48 -116.88 141.71 5.88 94.11 0.01 5.49 0.22 0.01 0.00 0.00 0.00 93.89 0.37 80 E E E 105.11 8.22 14.52 23.81 114.34 -121.09 -82.99 135.38 39.36 60.58 0.06 37.15 0.95 0.21 0.01 0.04 0.00 61.19 0.45 81 D C C 101.19 4.84 14.67 21.06 108.18 -109.76 -79.06 124.25 99.80 0.19 0.01 99.62 0.18 0.05 0.00 0.00 0.00 0.14 0.01