# 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 47.12 4.47 17.70 22.86 105.61 -89.33 82.50 2.87 99.91 0.09 0.00 99.57 0.26 0.10 0.00 0.00 0.00 0.06 0.00 1 Q C C 81.12 10.48 14.25 25.40 120.75 127.15 -100.65 141.02 74.20 25.74 0.06 71.87 1.19 0.29 0.01 0.04 0.00 25.98 0.62 2 K E E 96.67 8.90 18.83 28.42 124.19 -153.27 -114.08 139.60 23.48 76.49 0.03 20.67 1.97 0.10 0.00 0.02 0.00 76.83 0.39 3 I E E 13.39 21.93 15.21 37.30 122.65 -159.83 -117.66 133.94 1.90 98.10 0.00 1.83 0.05 0.00 0.00 0.00 0.00 98.08 0.04 4 R E E 88.72 9.11 24.60 34.05 118.81 -159.24 -112.84 128.47 0.50 99.50 0.00 0.47 0.01 0.00 0.00 0.00 0.00 99.51 0.00 5 I E E 6.87 24.55 17.03 42.07 120.94 -167.47 -115.73 128.74 0.28 99.72 0.00 0.28 0.00 0.00 0.00 0.00 0.00 99.71 0.00 6 R E E 86.15 9.25 26.57 36.25 117.00 -162.70 -110.66 124.30 0.31 99.69 0.00 0.30 0.00 0.00 0.00 0.00 0.00 99.69 0.00 7 L E E 4.40 25.77 17.22 43.71 123.31 -170.15 -115.98 135.76 0.98 99.02 0.00 0.98 0.01 0.00 0.00 0.00 0.00 99.00 0.02 8 K E E 82.95 8.98 26.95 36.44 124.78 -166.99 -120.23 136.89 3.62 96.37 0.00 3.41 0.14 0.01 0.00 0.00 0.00 96.32 0.12 9 A E E 8.42 22.05 14.30 36.31 136.56 165.46 -144.77 158.19 27.07 72.89 0.04 26.24 0.79 0.07 0.01 0.02 0.00 71.90 0.98 10 Y C S 129.96 6.57 21.20 28.48 94.92 -134.73 -78.35 -23.87 99.13 0.84 0.02 4.99 93.91 0.46 0.00 0.01 0.00 0.58 0.05 11 D C C 65.43 7.22 19.38 27.59 113.38 56.37 -115.88 107.85 99.20 0.71 0.09 67.01 32.00 0.34 0.04 0.03 0.00 0.27 0.30 12 H H H 88.81 13.64 14.31 28.14 93.18 -164.77 -62.71 -35.40 1.99 0.00 98.01 0.28 0.30 1.21 97.68 0.53 0.00 0.00 0.00 13 E H H 136.10 1.45 21.98 22.10 91.72 54.75 -64.22 -40.15 0.96 0.00 99.04 0.09 0.08 0.71 98.66 0.47 0.00 0.00 0.00 14 A H H 25.60 10.95 18.69 30.92 92.06 48.60 -65.18 -41.32 0.42 0.00 99.58 0.07 0.03 0.25 99.20 0.45 0.00 0.00 0.00 15 I H H 4.35 25.19 14.80 40.28 91.27 50.23 -63.25 -43.55 0.18 0.00 99.82 0.03 0.01 0.08 99.81 0.07 0.00 0.00 0.00 16 D H H 65.48 9.41 23.42 32.83 91.31 50.43 -63.22 -42.04 0.16 0.00 99.84 0.02 0.01 0.08 99.87 0.02 0.00 0.00 0.00 17 A H H 52.24 3.19 26.07 28.57 91.30 49.70 -63.71 -42.76 0.14 0.00 99.86 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 18 S H H 7.54 19.41 21.07 40.52 91.74 49.73 -64.21 -42.05 0.16 0.00 99.84 0.01 0.00 0.10 99.86 0.02 0.00 0.00 0.00 19 A H H 6.93 22.89 19.99 42.50 91.16 51.90 -62.70 -42.36 0.11 0.00 99.89 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 20 R H H 134.51 3.95 26.07 30.41 91.28 51.36 -63.46 -41.41 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 21 K H H 82.41 8.52 25.17 34.00 91.65 49.89 -64.49 -42.25 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 22 I H H 2.17 26.53 20.33 47.03 91.43 49.10 -63.83 -43.70 0.09 0.00 99.91 0.00 0.00 0.06 99.93 0.01 0.00 0.00 0.00 23 V H H 27.32 17.20 22.05 38.75 91.41 49.94 -62.76 -42.97 0.12 0.00 99.88 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 24 E H H 103.07 2.53 26.42 27.62 91.46 50.19 -63.72 -41.93 0.29 0.00 99.71 0.03 0.01 0.17 99.76 0.03 0.00 0.00 0.00 25 T H H 19.88 14.03 20.65 35.38 91.87 49.62 -64.48 -42.82 0.72 0.00 99.28 0.05 0.04 0.50 99.33 0.07 0.00 0.00 0.00 26 V H H 5.78 24.04 14.95 39.09 91.59 50.08 -63.82 -42.39 1.34 0.01 98.65 0.20 0.12 0.85 98.57 0.27 0.00 0.00 0.00 27 T H H 84.29 5.92 19.30 26.29 91.76 50.17 -64.04 -40.06 2.59 0.02 97.39 0.37 0.17 1.90 96.53 1.02 0.00 0.01 0.00 28 R H H 162.14 2.26 19.49 21.80 90.97 53.41 -66.33 -28.68 10.20 0.03 89.78 0.37 0.42 9.51 88.75 0.90 0.02 0.01 0.01 29 T C T 44.11 13.65 14.17 28.32 94.43 48.96 -90.28 -0.55 64.15 0.08 35.77 0.66 1.91 60.52 35.50 1.31 0.01 0.02 0.07 30 G C T 54.31 1.88 21.60 22.71 96.96 -105.56 86.92 11.77 99.81 0.04 0.16 4.81 2.61 92.46 0.05 0.04 0.00 0.02 0.01 31 A C C 12.55 22.22 9.67 30.98 120.60 141.96 -84.09 148.81 98.26 1.72 0.02 96.57 1.69 0.08 0.00 0.01 0.00 1.57 0.08 32 S E E 70.81 3.21 24.77 27.71 112.84 -127.75 -88.66 129.82 28.47 71.48 0.04 27.16 1.02 0.09 0.01 0.03 0.00 71.12 0.57 33 V E E 35.08 22.52 11.81 33.12 119.02 -161.63 -110.11 128.17 4.06 95.92 0.02 4.07 0.12 0.01 0.01 0.01 0.00 94.15 1.62 34 V E E 80.23 6.02 20.54 27.14 115.20 -171.22 -113.62 121.14 14.42 85.56 0.02 11.67 2.37 0.12 0.00 0.02 0.00 85.33 0.48 35 G E E 32.24 5.31 20.95 26.90 131.70 -26.46 109.93 -176.48 43.21 56.77 0.01 20.12 22.10 0.31 0.00 0.01 0.00 57.25 0.21 36 P C E 61.99 14.95 15.84 30.10 116.02 -67.30 -70.41 146.02 52.90 47.08 0.02 47.07 4.08 0.12 0.00 0.02 0.00 48.02 0.68 37 V E E 33.40 15.34 16.69 32.76 119.02 -155.42 -115.66 126.51 26.55 73.43 0.02 24.52 1.47 0.04 0.01 0.01 0.00 65.23 8.71 38 P E E 78.02 6.20 22.74 29.49 114.86 -114.54 -68.13 144.50 48.00 51.98 0.01 46.53 1.46 0.04 0.00 0.01 0.00 49.49 2.46 39 L C C 38.68 20.81 13.06 32.99 116.45 -113.64 -79.16 141.68 94.94 5.05 0.01 92.61 2.80 0.04 0.00 0.01 0.00 4.15 0.39 40 P C C 42.10 11.76 16.69 29.50 114.30 -104.04 -65.45 149.15 94.18 5.75 0.08 91.92 2.36 0.22 0.02 0.06 0.00 4.84 0.59 41 T C S 89.55 6.12 16.57 24.03 98.34 -151.53 -88.10 -17.44 79.50 20.36 0.13 30.17 48.91 0.90 0.01 0.13 0.00 19.27 0.60 42 E E E 97.05 5.50 17.64 24.36 125.83 54.03 -116.89 143.69 13.06 86.77 0.17 10.37 2.66 0.34 0.02 0.13 0.00 86.13 0.35 43 K E E 96.98 12.90 13.74 26.85 126.66 -166.98 -127.93 139.79 3.15 96.80 0.04 2.80 0.23 0.03 0.01 0.02 0.00 96.82 0.09 44 N E E 59.39 9.28 16.92 27.50 125.42 -167.96 -122.74 140.28 1.09 98.90 0.01 0.96 0.05 0.00 0.00 0.00 0.00 98.95 0.02 45 V E E 62.15 10.44 16.69 28.36 119.76 -152.58 -110.48 130.26 0.95 99.03 0.01 0.85 0.04 0.01 0.00 0.01 0.00 99.07 0.02 46 Y E E 57.39 12.72 15.70 29.70 124.45 -169.68 -118.67 139.35 1.23 98.74 0.03 1.12 0.05 0.01 0.00 0.01 0.00 98.76 0.03 47 C E E 44.81 9.91 17.66 29.08 120.54 -150.95 -110.34 135.29 2.45 97.52 0.02 2.31 0.10 0.01 0.00 0.01 0.00 97.48 0.08 48 V E E 36.89 12.56 15.62 29.63 118.74 -159.80 -110.58 128.33 7.04 92.89 0.06 6.50 0.41 0.05 0.02 0.03 0.00 92.56 0.42 49 I E E 68.76 8.86 15.53 25.93 116.28 -145.82 -94.79 131.20 28.19 71.57 0.24 22.23 5.45 0.71 0.06 0.17 0.00 70.65 0.74 50 R C C 120.70 6.83 14.11 22.32 114.26 -152.43 -98.10 128.78 60.02 39.47 0.51 39.89 18.59 2.33 0.12 0.43 0.00 36.85 1.80 51 S C C 39.97 7.65 10.53 20.19 118.20 -129.74 -104.77 136.24 85.19 13.94 0.87 67.03 14.85 2.88 0.24 0.73 0.00 12.27 2.01 52 P C T 92.74 3.86 11.05 16.58 95.73 -132.04 -67.23 -18.45 90.59 1.66 7.75 16.39 32.87 41.96 1.36 5.83 0.00 1.01 0.58 53 H C T 135.56 2.28 9.77 13.22 105.58 65.50 -86.45 0.51 86.53 2.26 11.21 14.50 31.40 41.46 2.04 8.25 0.01 1.18 1.15 54 K C S 152.83 1.99 10.75 13.64 100.02 -75.28 -76.13 -10.80 83.59 4.11 12.30 19.62 32.68 32.34 1.97 9.44 0.02 2.21 1.73 55 Y C C 125.03 5.18 8.72 15.61 108.48 55.95 -106.83 81.48 83.78 7.38 8.85 44.54 17.84 21.80 1.68 7.35 0.00 4.60 2.19 56 K C T 139.86 3.43 10.53 15.77 98.60 171.12 -74.42 -22.92 82.01 8.39 9.60 23.22 17.10 42.51 1.41 8.11 0.02 5.87 1.78 57 D C T 116.72 1.61 13.43 15.35 99.22 49.19 -89.27 9.65 83.09 8.37 8.54 23.30 18.67 41.69 1.07 7.48 0.01 6.57 1.22 58 S C C 41.14 9.35 9.51 20.41 117.75 113.32 -88.30 141.91 77.07 17.50 5.43 54.33 15.85 6.89 0.96 4.80 0.00 15.28 1.89 59 R C E 123.50 7.03 13.44 21.98 119.78 -148.61 -105.53 138.72 54.38 43.21 2.41 40.46 10.28 3.80 0.60 1.91 0.00 40.55 2.40 60 E E E 93.10 9.18 14.09 24.27 116.94 -149.71 -101.55 136.12 34.72 64.04 1.24 26.41 6.27 1.82 0.23 1.03 0.00 63.51 0.74 61 H E E 96.88 7.73 15.56 24.55 122.58 -151.88 -116.98 137.21 15.77 83.73 0.50 12.79 2.32 0.79 0.12 0.36 0.00 83.29 0.32 62 F E E 66.63 13.56 12.83 27.07 128.40 -175.07 -126.17 146.84 4.95 95.02 0.03 4.48 0.21 0.03 0.01 0.01 0.00 95.16 0.09 63 E E E 89.99 7.08 17.99 26.34 124.90 -160.94 -122.72 139.00 0.93 99.06 0.01 0.80 0.04 0.00 0.00 0.00 0.00 99.13 0.02 64 M E E 67.12 13.90 14.62 28.82 124.13 -159.55 -117.19 136.83 0.80 99.19 0.00 0.72 0.02 0.00 0.00 0.00 0.00 99.24 0.01 65 R E E 93.46 9.18 18.15 28.37 122.88 -168.19 -118.40 134.86 1.38 98.61 0.01 1.26 0.04 0.00 0.00 0.00 0.00 98.67 0.03 66 T E E 48.65 12.79 16.74 30.17 122.57 -163.94 -113.91 134.76 4.48 95.51 0.01 3.77 0.41 0.03 0.00 0.01 0.00 95.71 0.07 67 H E E 45.94 13.25 17.40 31.65 125.82 -170.91 -123.19 140.30 6.05 93.92 0.02 5.15 0.66 0.07 0.00 0.02 0.00 93.96 0.14 68 K E E 91.72 10.86 20.15 31.25 125.14 -153.49 -115.62 139.25 8.00 91.99 0.01 7.37 0.36 0.02 0.00 0.00 0.00 92.14 0.11 69 R E E 41.73 17.86 17.73 35.39 126.17 -162.58 -122.09 138.77 4.41 95.58 0.00 4.12 0.17 0.01 0.00 0.00 0.00 95.63 0.07 70 L E E 43.56 11.30 23.14 35.28 119.02 -153.11 -109.94 129.38 0.98 99.02 0.00 0.87 0.03 0.00 0.00 0.00 0.00 99.08 0.02 71 I E E 8.73 23.20 17.80 41.49 120.00 -165.32 -114.37 128.62 0.23 99.77 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.00 72 D E E 51.00 9.30 25.91 35.77 115.53 -158.95 -105.77 123.06 0.32 99.68 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.71 0.00 73 I E E 10.52 22.82 15.98 39.30 115.47 -162.37 -107.80 122.44 4.12 95.86 0.02 4.03 0.09 0.01 0.00 0.01 0.00 95.66 0.20 74 L E E 64.51 8.47 20.84 30.01 120.22 -163.08 -101.03 143.45 37.85 62.10 0.04 14.59 22.23 0.98 0.00 0.04 0.00 61.71 0.43 75 D C S 102.90 3.37 22.32 25.89 94.10 4.07 58.27 52.21 91.28 8.70 0.01 8.21 81.40 1.15 0.00 0.01 0.00 9.08 0.14 76 P C C 17.51 22.63 9.73 31.42 118.05 -170.30 -72.51 146.73 96.20 3.77 0.03 91.03 5.52 0.13 0.01 0.02 0.00 2.65 0.63 77 T C C 59.02 4.88 20.80 25.84 120.69 -124.78 -81.11 160.37 99.77 0.18 0.05 99.02 0.78 0.03 0.03 0.00 0.00 0.05 0.08 78 P H H 87.57 6.27 14.96 22.77 91.16 -107.16 -58.09 -36.25 3.60 0.00 96.40 0.23 0.36 2.86 95.78 0.76 0.00 0.00 0.00 79 K H H 137.11 1.76 19.32 20.37 91.54 53.55 -64.74 -39.34 2.10 0.00 97.90 0.12 0.14 1.75 97.19 0.80 0.00 0.00 0.00 80 T H H 20.54 16.08 15.69 32.15 92.54 48.01 -66.31 -41.79 0.72 0.00 99.27 0.10 0.05 0.48 98.65 0.72 0.00 0.00 0.00 81 V H H 17.22 19.01 15.29 34.38 91.41 51.37 -62.49 -43.19 0.24 0.00 99.76 0.03 0.01 0.13 99.49 0.33 0.00 0.00 0.00 82 D H H 81.14 3.04 21.94 24.32 91.39 50.57 -63.62 -39.99 0.53 0.00 99.47 0.04 0.02 0.38 98.79 0.75 0.00 0.00 0.00 83 A H H 36.19 7.65 18.77 27.78 91.71 51.76 -64.90 -39.77 1.32 0.00 98.68 0.07 0.05 1.10 97.21 1.57 0.00 0.00 0.00 84 L H H 13.66 22.42 14.02 36.05 92.23 53.26 -66.84 -33.64 3.87 0.01 96.11 0.23 0.20 3.30 93.06 3.19 0.01 0.01 0.00 85 M H H 84.82 11.62 16.68 28.50 91.25 60.64 -69.64 -20.58 39.09 0.17 60.74 1.73 1.56 35.14 57.40 3.91 0.06 0.08 0.11 86 R C T 172.60 1.53 19.34 20.03 95.64 58.72 -86.08 -5.78 69.90 0.36 29.73 4.66 3.05 60.68 27.26 3.95 0.01 0.20 0.19 87 I C C 48.76 16.22 9.90 25.82 117.72 100.72 -84.87 137.94 92.67 2.84 4.49 54.33 32.70 5.44 3.85 0.97 0.01 1.20 1.49 88 D C C 118.44 1.53 19.97 20.91 108.72 -131.00 -88.21 112.24 94.18 5.19 0.64 89.94 2.66 1.77 0.34 0.23 0.00 3.16 1.91 89 L C C 37.61 21.00 9.03 28.25 120.66 -165.88 -99.79 139.23 96.68 3.26 0.05 91.35 5.55 0.11 0.03 0.02 0.00 1.64 1.31 90 P C C 56.26 6.87 16.25 24.66 115.29 -106.60 -65.72 152.48 98.60 1.15 0.26 97.23 1.09 0.54 0.06 0.13 0.00 0.58 0.39 91 A C T 81.30 3.78 14.99 20.04 105.94 -101.53 -66.28 142.71 98.38 0.68 0.93 1.53 9.14 87.80 0.09 0.78 0.00 0.45 0.21 92 S C T 81.77 3.28 17.07 21.09 95.60 29.18 66.68 9.31 98.06 1.24 0.69 3.10 7.60 87.32 0.04 0.72 0.00 1.08 0.12 93 V C C 27.64 19.05 9.15 27.53 120.10 115.59 -102.56 134.88 65.58 34.18 0.24 57.44 6.57 0.54 0.04 0.24 0.00 34.15 1.03 94 D E E 95.04 3.09 22.19 25.32 113.05 -150.83 -102.45 121.06 20.02 79.87 0.10 19.11 0.75 0.15 0.02 0.06 0.00 79.40 0.50 95 V E E 34.41 21.60 10.62 30.98 124.52 -172.25 -121.31 135.65 10.93 89.05 0.02 10.78 0.19 0.02 0.00 0.01 0.00 88.76 0.24 96 N E E 88.83 3.65 21.65 25.66 124.33 -171.34 -122.10 138.48 7.31 92.67 0.02 7.24 0.13 0.02 0.00 0.01 0.00 92.36 0.24 97 I E E 61.98 17.12 10.71 26.98 119.04 -151.14 -107.60 128.60 18.36 81.61 0.02 18.94 0.14 0.02 0.01 0.01 0.00 80.08 0.80 98 Q C C 108.88 4.15 18.25 23.37 120.58 -171.95 -114.81 136.16 95.50 4.50 0.00 95.34 0.07 0.01 0.00 0.00 0.00 4.55 0.03