# 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 I C C 74.63 11.81 15.47 27.59 117.57 -159.82 -104.67 128.71 99.33 0.66 0.00 99.41 0.07 0.01 0.00 0.00 0.00 0.50 0.01 1 H E E 77.53 10.48 15.64 27.11 121.04 -161.80 -108.25 135.83 38.04 61.94 0.03 37.36 0.46 0.06 0.01 0.02 0.00 61.51 0.58 2 R E E 110.95 9.33 17.23 27.51 122.80 -156.86 -114.62 135.62 10.36 89.62 0.02 9.44 0.60 0.04 0.00 0.01 0.00 89.68 0.23 3 I E E 21.34 19.71 14.86 34.82 123.28 -165.21 -120.08 132.90 2.35 97.65 0.00 2.31 0.06 0.00 0.00 0.00 0.00 97.57 0.06 4 R E E 105.16 7.94 23.14 31.69 117.84 -155.24 -107.55 126.11 1.43 98.57 0.00 1.38 0.03 0.00 0.00 0.00 0.00 98.57 0.02 5 I E E 9.04 23.70 16.12 40.24 121.27 -167.95 -116.34 129.46 1.02 98.98 0.00 1.07 0.01 0.00 0.00 0.00 0.00 98.90 0.01 6 T E E 47.22 9.00 26.11 35.77 118.41 -161.66 -110.22 127.29 0.81 99.19 0.00 0.81 0.01 0.00 0.00 0.00 0.00 99.16 0.02 7 L E E 5.08 25.37 16.99 42.95 123.44 -169.79 -115.77 135.58 1.75 98.25 0.00 1.78 0.02 0.00 0.00 0.00 0.00 98.15 0.05 8 T E E 49.46 9.47 26.26 36.11 125.87 -168.61 -120.85 140.97 5.76 94.23 0.01 5.45 0.22 0.02 0.00 0.00 0.00 94.12 0.18 9 S E E 10.98 20.43 14.87 35.31 138.48 159.92 -148.28 159.46 28.02 71.93 0.05 27.10 1.03 0.08 0.01 0.03 0.00 70.30 1.44 10 R C S 146.90 5.08 20.71 26.66 94.57 -139.25 -84.21 -14.36 99.30 0.67 0.03 2.99 95.86 0.67 0.00 0.01 0.00 0.41 0.06 11 N C C 72.34 6.96 19.23 27.19 111.81 67.45 -107.19 109.01 98.81 1.02 0.17 59.05 39.43 0.51 0.09 0.06 0.00 0.35 0.51 12 V H H 58.43 14.77 14.01 29.02 93.59 -166.50 -62.90 -36.61 2.99 0.01 97.00 0.62 0.51 1.62 96.29 0.94 0.00 0.00 0.00 13 K H H 137.87 1.69 21.78 22.38 91.65 54.85 -63.65 -40.83 1.93 0.00 98.06 0.19 0.17 1.44 96.96 1.23 0.00 0.00 0.00 14 S H H 28.72 9.12 18.88 29.53 91.90 48.88 -65.40 -40.28 1.26 0.01 98.73 0.22 0.09 0.82 97.31 1.55 0.00 0.00 0.00 15 L H H 5.48 24.52 14.39 39.04 91.46 51.97 -63.41 -42.67 0.35 0.00 99.64 0.07 0.03 0.17 99.53 0.20 0.00 0.00 0.00 16 E H H 88.99 9.83 22.28 32.04 91.46 51.69 -63.18 -41.32 0.11 0.00 99.89 0.02 0.00 0.05 99.91 0.02 0.00 0.00 0.00 17 K H H 121.39 2.28 25.83 26.98 91.57 49.94 -64.28 -41.73 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 18 V H H 13.17 18.65 21.29 39.85 91.60 48.72 -64.07 -43.41 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 19 C H H 6.25 23.21 20.10 43.00 91.46 50.44 -63.69 -42.58 0.08 0.00 99.92 0.01 0.00 0.05 99.94 0.01 0.00 0.00 0.00 20 A H H 47.22 5.45 24.79 30.49 91.17 51.28 -63.20 -41.84 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 21 D H H 58.36 7.08 24.83 32.36 91.63 49.93 -65.01 -41.48 0.07 0.00 99.93 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 22 L H H 4.81 24.51 19.91 44.19 91.87 50.03 -63.93 -43.48 0.10 0.00 99.90 0.00 0.00 0.07 99.91 0.01 0.00 0.00 0.00 23 I H H 36.13 16.11 21.81 37.44 91.66 49.63 -63.16 -42.65 0.15 0.00 99.85 0.01 0.01 0.10 99.86 0.02 0.00 0.00 0.00 24 R H H 131.88 2.14 25.72 26.25 91.74 49.51 -63.79 -41.59 0.35 0.00 99.65 0.02 0.01 0.24 99.68 0.04 0.00 0.00 0.00 25 G H H 11.03 10.65 19.27 31.80 91.84 50.55 -63.99 -41.67 0.99 0.00 99.01 0.06 0.04 0.72 99.04 0.13 0.00 0.00 0.00 26 A H H 6.18 20.51 13.42 34.36 91.42 51.15 -63.70 -41.61 1.46 0.00 98.53 0.20 0.11 0.97 98.27 0.45 0.00 0.00 0.00 27 K H H 129.77 3.82 17.87 22.91 91.64 50.70 -64.14 -40.40 2.10 0.01 97.89 0.19 0.11 1.60 97.16 0.93 0.00 0.00 0.00 28 E H H 140.15 1.52 16.98 18.10 90.92 52.76 -65.91 -29.76 8.01 0.01 91.98 0.25 0.30 7.44 91.27 0.71 0.01 0.00 0.01 29 K C T 90.47 8.74 12.72 22.87 95.58 46.33 -95.45 7.09 83.28 0.04 16.68 0.45 1.78 80.25 16.73 0.73 0.00 0.01 0.04 30 N C T 137.70 0.89 18.53 17.83 93.25 -115.95 60.24 38.31 99.83 0.01 0.16 1.76 1.22 96.93 0.06 0.03 0.00 0.00 0.00 31 L C C 27.35 19.90 8.52 27.33 119.02 154.47 -95.45 139.04 98.36 1.62 0.02 97.42 1.04 0.06 0.00 0.01 0.00 1.38 0.09 32 K E E 140.91 2.15 23.12 24.43 110.37 -127.00 -84.42 125.50 44.77 55.18 0.05 43.59 0.90 0.09 0.01 0.03 0.00 54.65 0.73 33 V E E 33.15 21.91 9.58 29.92 121.03 -167.24 -110.08 132.39 8.37 91.60 0.03 8.51 0.23 0.02 0.02 0.01 0.00 87.71 3.50 34 K E E 131.91 3.36 19.58 23.45 110.18 -170.64 -106.20 92.53 19.97 79.99 0.04 16.85 2.51 0.17 0.01 0.03 0.00 79.68 0.75 35 G E E 32.74 4.42 20.00 24.99 132.20 -38.91 118.12 -175.36 44.14 55.85 0.01 17.77 25.74 0.39 0.00 0.02 0.00 55.84 0.25 36 P C E 63.64 13.28 14.83 28.13 115.93 -52.57 -71.08 144.19 53.01 46.97 0.02 47.64 3.32 0.10 0.00 0.02 0.00 48.43 0.49 37 V E E 44.06 13.44 15.80 30.28 121.89 -159.42 -116.13 132.24 15.82 84.16 0.02 15.00 0.66 0.03 0.01 0.01 0.00 78.22 6.06 38 R E E 144.96 5.40 19.85 26.77 115.27 -129.37 -83.25 132.39 27.47 72.51 0.02 27.37 0.59 0.03 0.01 0.01 0.00 66.63 5.36 39 M C C 37.72 19.90 10.99 29.98 119.17 -139.57 -87.48 143.65 86.79 13.20 0.01 85.88 1.54 0.03 0.00 0.01 0.00 12.08 0.46 40 P C C 66.74 5.62 18.76 25.11 115.47 -103.20 -66.42 151.88 92.35 7.60 0.05 86.75 5.18 0.27 0.01 0.04 0.00 7.30 0.45 41 T C C 79.07 10.32 13.27 24.25 113.89 -122.00 -88.67 134.49 68.56 31.31 0.14 54.41 12.58 0.55 0.03 0.14 0.00 31.12 1.18 42 K E E 106.11 6.72 15.48 23.63 123.64 -150.62 -111.39 141.88 17.12 82.80 0.08 14.38 2.29 0.20 0.02 0.07 0.00 82.60 0.45 43 T E E 72.99 8.70 14.11 24.15 120.53 -150.45 -111.37 133.52 2.99 96.99 0.02 2.77 0.16 0.02 0.01 0.01 0.00 96.93 0.10 44 L E E 58.77 11.27 13.31 25.86 121.55 -164.86 -115.49 135.11 0.94 99.05 0.00 0.86 0.04 0.00 0.00 0.00 0.00 99.06 0.03 45 R E E 137.88 5.29 16.72 23.62 118.63 -155.30 -109.72 130.58 0.66 99.34 0.00 0.57 0.03 0.00 0.00 0.00 0.00 99.38 0.01 46 I E E 49.49 13.52 12.43 26.89 121.77 -168.81 -116.80 133.88 1.28 98.72 0.01 1.19 0.04 0.00 0.00 0.00 0.00 98.74 0.02 47 T E E 65.40 6.07 17.11 24.51 121.94 -160.46 -109.86 140.28 4.16 95.81 0.03 3.85 0.19 0.03 0.01 0.01 0.00 95.81 0.10 48 T E E 51.98 12.60 12.24 25.43 120.99 -158.90 -110.49 140.89 10.17 89.74 0.09 8.90 1.11 0.17 0.03 0.05 0.00 89.22 0.52 49 R E E 131.70 5.36 14.64 21.49 118.22 -142.65 -96.09 138.91 21.12 78.74 0.14 17.86 3.20 0.40 0.04 0.10 0.00 77.11 1.30 50 K C C 131.41 4.61 13.27 19.64 115.59 -124.42 -89.85 136.41 56.58 43.26 0.16 47.54 7.89 0.54 0.05 0.15 0.00 40.59 3.24 51 T C C 50.02 9.36 8.96 19.75 115.43 -118.20 -83.85 143.41 93.18 6.62 0.20 85.58 6.65 0.87 0.05 0.17 0.00 5.43 1.24 52 P C T 108.65 2.03 12.42 15.35 93.52 -129.73 -66.92 -18.62 96.89 1.01 2.10 10.09 28.26 58.35 0.19 2.11 0.00 0.68 0.30 53 C C T 86.65 3.64 9.72 14.71 100.09 54.97 -93.42 -0.51 95.23 1.74 3.03 6.86 30.61 57.72 0.31 2.80 0.00 1.01 0.68 54 G C S 41.98 3.42 10.47 15.50 120.29 -88.33 114.77 170.02 89.96 4.54 5.50 27.57 48.32 13.64 0.78 4.88 0.00 2.14 2.67 55 E C T 156.70 1.31 10.15 12.41 108.12 -50.36 -71.36 126.70 90.92 1.86 7.22 6.67 16.46 67.08 0.68 7.12 0.00 1.22 0.77 56 G C T 64.22 0.89 11.66 12.24 97.51 11.37 81.63 -0.23 91.63 1.33 7.04 9.22 16.99 64.72 0.70 6.97 0.00 0.86 0.52 57 S C C 58.24 5.20 8.62 15.82 118.21 123.88 -88.21 146.82 89.77 5.61 4.62 58.96 24.15 6.52 0.83 4.28 0.00 3.48 1.78 58 K C C 142.13 3.38 12.13 17.18 112.91 -126.25 -90.57 128.47 77.89 20.34 1.77 62.37 11.27 3.51 0.39 1.54 0.00 18.67 2.25 59 T E E 68.52 7.26 11.88 20.76 125.59 -161.02 -117.63 146.80 43.01 56.56 0.43 37.29 4.28 0.82 0.12 0.35 0.00 54.55 2.59 60 W E E 111.41 9.68 11.44 22.43 118.99 -136.25 -101.31 137.18 21.09 78.81 0.10 19.10 1.41 0.25 0.03 0.07 0.00 77.93 1.20 61 D E E 81.58 6.04 14.93 22.28 112.01 -165.82 -98.84 125.35 18.32 81.63 0.05 13.73 3.81 0.29 0.01 0.04 0.00 81.92 0.20 62 R E E 127.14 6.41 15.12 22.97 122.88 -50.92 -122.19 136.35 7.40 92.58 0.02 6.59 0.47 0.03 0.00 0.01 0.00 92.78 0.11 63 F E E 58.65 13.26 12.49 26.70 127.10 -168.83 -123.16 143.94 2.31 97.68 0.00 2.20 0.05 0.00 0.00 0.00 0.00 97.70 0.05 64 Q E E 95.73 6.29 17.32 25.04 121.30 -152.76 -112.43 135.77 1.35 98.65 0.00 1.21 0.03 0.00 0.00 0.00 0.00 98.73 0.02 65 M E E 54.16 14.48 13.62 28.55 128.56 -171.02 -127.74 144.89 1.95 98.05 0.00 1.77 0.05 0.00 0.00 0.00 0.00 98.16 0.02 66 R E E 107.29 7.70 18.46 27.19 118.13 -138.30 -102.04 130.85 1.62 98.38 0.00 1.50 0.04 0.00 0.00 0.00 0.00 98.44 0.03 67 I E E 46.35 14.50 15.84 31.03 120.10 -162.88 -112.47 128.57 2.56 97.43 0.00 2.35 0.10 0.00 0.00 0.00 0.00 97.49 0.05 68 H E E 50.95 12.21 17.99 31.34 121.25 -163.04 -111.10 136.11 4.33 95.66 0.01 3.89 0.24 0.02 0.00 0.00 0.00 95.77 0.08 69 K E E 84.39 12.39 19.17 31.62 126.02 -166.89 -121.22 139.00 7.00 92.99 0.00 6.43 0.35 0.02 0.00 0.00 0.00 93.12 0.09 70 R E E 49.92 16.23 18.09 34.35 125.12 -170.11 -120.68 138.15 4.10 95.90 0.00 3.89 0.13 0.01 0.00 0.00 0.00 95.91 0.06 71 L E E 49.54 11.47 22.38 34.53 118.64 -152.44 -109.06 129.04 1.00 99.00 0.00 0.90 0.03 0.00 0.00 0.00 0.00 99.04 0.02 72 I E E 9.77 22.64 17.68 40.61 120.43 -165.15 -115.64 127.62 0.27 99.73 0.00 0.24 0.01 0.00 0.00 0.00 0.00 99.75 0.01 73 D E E 54.06 8.85 25.57 34.91 115.44 -157.19 -104.85 123.55 0.64 99.36 0.00 0.58 0.02 0.00 0.00 0.00 0.00 99.39 0.01 74 L E E 11.96 22.78 14.26 37.16 118.45 -163.61 -105.36 129.55 10.26 89.67 0.07 9.77 0.37 0.06 0.02 0.03 0.00 89.36 0.39 75 H C E 98.38 6.73 20.89 28.00 107.79 -163.59 -92.30 2.52 54.35 45.50 0.14 27.99 25.88 1.55 0.02 0.13 0.00 43.67 0.75 76 S C S 52.17 6.91 19.06 26.77 124.32 12.51 -141.26 133.96 90.91 8.95 0.15 17.69 70.93 1.90 0.03 0.09 0.00 8.96 0.40 77 P C C 56.37 13.19 14.46 27.77 107.49 -109.48 -69.57 122.74 94.28 1.84 3.88 81.25 8.83 4.42 2.53 1.19 0.00 1.27 0.50 78 S C C 47.84 9.14 15.25 25.28 113.92 160.94 -88.22 -51.58 69.62 0.64 29.74 49.90 11.07 6.88 29.44 2.10 0.00 0.24 0.36 79 E H H 128.71 2.76 19.09 21.90 93.41 -90.99 -64.45 -33.48 21.07 0.26 78.67 8.63 5.18 7.85 76.02 2.07 0.02 0.10 0.12 80 I H H 33.85 15.13 16.47 31.82 92.99 52.82 -65.77 -41.46 8.46 0.23 91.30 3.70 1.38 3.61 89.19 1.89 0.02 0.14 0.07 81 V H H 16.67 20.24 14.79 34.64 92.01 51.17 -64.23 -42.12 2.86 0.14 97.00 1.21 0.43 1.30 95.16 1.75 0.01 0.12 0.02 82 K H H 113.95 4.24 20.54 25.30 91.65 52.23 -63.88 -40.32 2.02 0.09 97.89 0.65 0.26 1.11 95.77 2.11 0.01 0.08 0.01 83 Q H H 87.72 5.67 20.38 26.62 92.02 50.99 -65.78 -39.80 2.99 0.12 96.89 0.72 0.34 1.90 93.83 3.07 0.01 0.11 0.02 84 I H H 12.47 22.60 15.06 37.16 92.78 50.19 -66.53 -38.43 4.80 0.21 94.98 0.90 0.54 3.27 91.20 3.85 0.03 0.18 0.03 85 T H H 49.91 14.95 16.69 31.20 92.44 56.95 -70.92 -22.15 20.64 0.49 78.86 2.09 1.84 16.30 75.83 3.34 0.13 0.32 0.15 86 S C T 82.47 2.02 20.65 22.11 95.59 57.04 -88.82 -6.36 58.04 1.16 40.80 6.86 4.57 44.25 38.67 4.42 0.10 0.67 0.46 87 I C C 45.10 16.93 10.53 27.18 117.29 105.66 -80.58 138.23 90.99 7.03 1.98 59.64 29.23 2.75 1.56 0.59 0.00 4.54 1.67 88 S C C 81.75 2.71 21.26 24.31 113.27 -138.14 -97.45 124.86 82.47 17.02 0.51 79.58 2.21 0.84 0.26 0.20 0.00 14.32 2.59 89 I C C 36.48 21.58 10.51 30.58 123.01 -168.98 -115.06 133.20 59.08 40.79 0.13 57.16 2.27 0.08 0.10 0.04 0.00 14.97 25.39 90 E C C 102.41 4.92 19.94 25.28 118.19 -123.45 -76.99 149.64 99.20 0.79 0.01 98.83 0.57 0.04 0.00 0.00 0.00 0.45 0.11 91 P C T 89.66 6.07 16.06 23.58 110.99 -84.09 -60.39 138.82 99.26 0.45 0.29 0.68 3.20 95.55 0.02 0.19 0.00 0.29 0.07 92 G C T 41.93 5.28 18.41 24.89 96.27 23.39 87.36 -5.30 98.99 0.78 0.23 1.10 3.23 94.79 0.01 0.18 0.00 0.65 0.04 93 V C C 26.62 18.29 12.39 30.90 119.39 117.95 -98.29 135.54 58.57 41.38 0.05 53.05 4.18 0.18 0.01 0.05 0.00 41.74 0.79 94 E E E 104.37 5.67 22.56 29.07 118.83 -151.79 -107.14 131.20 11.40 88.58 0.02 11.25 0.25 0.03 0.00 0.01 0.00 88.21 0.25 95 V E E 23.30 22.49 13.06 34.94 126.37 -171.08 -125.17 137.54 5.40 94.60 0.00 5.40 0.09 0.00 0.00 0.00 0.00 94.44 0.06 96 E E E 98.51 5.16 24.76 30.31 120.39 -161.66 -112.42 131.77 3.19 96.80 0.00 3.19 0.07 0.00 0.00 0.00 0.00 96.70 0.03 97 V E E 22.54 22.99 13.06 35.44 123.77 -168.04 -119.33 133.60 3.35 96.65 0.00 3.50 0.04 0.00 0.00 0.00 0.00 96.41 0.04 98 T E E 60.09 6.05 24.04 30.44 123.51 -169.41 -119.26 136.54 3.10 96.90 0.00 3.18 0.06 0.00 0.00 0.00 0.00 96.68 0.07 99 I E E 50.65 17.32 13.70 30.76 119.06 -151.25 -104.68 129.93 7.35 92.63 0.02 7.11 0.24 0.02 0.01 0.01 0.00 92.25 0.36 100 A E E 46.31 8.29 14.81 24.63 123.27 -163.82 -108.88 146.97 33.73 66.08 0.20 28.20 4.11 0.62 0.05 0.14 0.00 66.21 0.66 101 D C C 106.97 3.65 13.84 19.15 112.58 -116.40 -84.87 133.15 63.29 36.43 0.28 58.78 2.03 0.80 0.07 0.20 0.00 37.02 1.10 102 A C C 66.10 8.03 12.24 21.29 108.96 -122.31 -77.75 126.97 99.78 0.21 0.01 99.72 0.09 0.03 0.00 0.00 0.00 0.14 0.01