# 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 Q C C 90.73 9.14 18.04 27.49 117.26 -170.53 -99.95 140.56 99.51 0.48 0.00 99.46 0.12 0.01 0.00 0.00 0.00 0.39 0.01 1 K E E 98.58 9.31 18.65 28.45 123.09 -139.86 -108.28 138.53 32.69 67.28 0.02 32.00 0.58 0.06 0.01 0.02 0.00 66.76 0.58 2 I E E 14.37 21.11 14.59 35.82 124.03 -163.03 -118.01 135.64 3.82 96.17 0.00 3.66 0.10 0.00 0.00 0.00 0.00 96.15 0.08 3 R E E 91.57 8.92 24.09 33.40 119.56 -157.59 -112.05 127.76 0.78 99.22 0.00 0.74 0.02 0.00 0.00 0.00 0.00 99.23 0.01 4 I E E 6.76 24.45 16.83 41.83 120.26 -165.19 -114.45 128.19 0.35 99.65 0.00 0.37 0.00 0.00 0.00 0.00 0.00 99.62 0.00 5 R E E 86.51 9.26 26.36 35.99 117.07 -161.37 -110.27 124.74 0.36 99.64 0.00 0.35 0.01 0.00 0.00 0.00 0.00 99.64 0.00 6 L E E 4.56 25.60 17.07 43.35 123.85 -170.08 -117.88 136.41 0.93 99.07 0.00 0.92 0.01 0.00 0.00 0.00 0.00 99.05 0.01 7 K E E 82.25 9.08 26.81 36.34 124.77 -166.79 -121.08 137.21 3.17 96.82 0.01 2.96 0.12 0.01 0.00 0.00 0.00 96.81 0.09 8 A E E 7.89 22.27 14.35 36.56 136.45 169.30 -143.96 158.60 24.91 75.02 0.07 24.14 0.86 0.09 0.02 0.04 0.00 73.94 0.91 9 Y C S 123.21 7.17 21.02 28.86 95.26 -136.10 -78.83 -24.55 98.75 1.20 0.04 5.54 92.80 0.67 0.01 0.02 0.00 0.89 0.08 10 E C C 82.31 7.58 18.87 27.48 112.58 57.13 -112.93 107.07 98.61 1.19 0.19 69.05 29.19 0.59 0.12 0.06 0.00 0.57 0.42 11 H H H 92.86 12.76 14.39 27.54 93.07 -160.50 -62.60 -35.57 3.65 0.01 96.33 0.65 0.59 2.26 95.34 1.15 0.00 0.00 0.00 12 R H H 157.57 1.67 21.49 22.24 91.85 55.75 -64.21 -39.98 1.96 0.01 98.03 0.24 0.20 1.42 97.07 1.05 0.01 0.00 0.00 13 I H H 39.72 11.66 18.77 31.44 92.25 48.24 -65.60 -41.58 0.84 0.01 99.15 0.19 0.09 0.49 98.25 0.97 0.00 0.00 0.00 14 L H H 5.13 24.76 14.92 39.83 91.19 51.16 -63.16 -43.35 0.37 0.00 99.63 0.09 0.04 0.16 99.55 0.15 0.00 0.00 0.00 15 D H H 67.12 8.99 23.29 32.33 91.49 50.34 -63.77 -41.87 0.35 0.00 99.65 0.06 0.02 0.19 99.68 0.06 0.00 0.00 0.00 16 Q H H 95.32 3.02 26.56 28.75 91.70 49.33 -64.57 -42.00 0.33 0.00 99.67 0.03 0.01 0.22 99.69 0.05 0.00 0.00 0.00 17 S H H 7.24 19.66 21.15 40.79 91.89 49.54 -64.26 -42.62 0.39 0.00 99.61 0.04 0.02 0.25 99.64 0.04 0.00 0.00 0.00 18 A H H 5.94 22.87 20.12 42.72 91.23 51.83 -62.71 -42.17 0.18 0.00 99.82 0.02 0.01 0.11 99.85 0.02 0.00 0.00 0.00 19 D H H 80.24 4.37 26.68 31.24 91.45 50.99 -63.97 -41.59 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 20 K H H 80.72 8.77 25.47 34.54 91.60 49.64 -64.75 -42.21 0.12 0.00 99.88 0.00 0.00 0.08 99.89 0.02 0.00 0.00 0.00 21 I H H 1.92 26.73 20.57 47.53 91.25 49.21 -63.73 -43.78 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 22 V H H 26.50 17.10 22.40 38.97 91.26 49.80 -63.00 -43.04 0.13 0.00 99.87 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 23 E H H 102.14 2.50 26.91 28.07 91.45 50.07 -63.58 -42.06 0.26 0.00 99.74 0.04 0.01 0.14 99.79 0.02 0.00 0.00 0.00 24 T H H 18.36 14.17 21.03 35.94 91.79 49.52 -64.42 -42.57 0.48 0.00 99.52 0.03 0.03 0.31 99.57 0.05 0.00 0.00 0.00 25 A H H 3.55 24.04 14.81 39.12 91.33 51.09 -63.50 -42.14 0.91 0.00 99.09 0.12 0.06 0.57 99.06 0.19 0.00 0.00 0.00 26 K H H 130.54 4.53 19.85 25.71 91.41 50.85 -63.24 -39.98 1.86 0.01 98.13 0.23 0.10 1.39 97.51 0.77 0.00 0.00 0.00 27 R H H 158.17 2.55 19.46 22.32 90.93 53.73 -65.94 -29.09 8.46 0.02 91.52 0.26 0.30 7.96 90.73 0.71 0.01 0.00 0.01 28 T C T 45.12 13.56 14.05 28.11 94.49 49.60 -90.80 0.32 65.41 0.05 34.54 0.47 1.36 62.59 34.49 1.02 0.01 0.01 0.04 29 G C T 55.66 1.69 21.29 21.97 97.07 -103.96 86.25 12.16 99.81 0.02 0.17 3.05 1.75 95.09 0.06 0.03 0.00 0.01 0.00 30 A C C 14.73 21.65 9.37 29.93 120.26 141.55 -85.82 148.02 98.28 1.69 0.03 96.52 1.79 0.11 0.00 0.01 0.00 1.46 0.10 31 D E E 105.08 2.28 23.98 25.66 108.95 -125.27 -87.68 115.51 39.67 60.23 0.10 37.50 1.51 0.21 0.02 0.07 0.00 59.70 0.99 32 V E E 29.76 23.06 10.52 32.15 120.78 -167.96 -112.24 131.82 11.95 87.99 0.05 11.59 0.37 0.04 0.03 0.03 0.00 81.51 6.43 33 S E E 69.06 4.31 20.94 25.77 114.92 -172.16 -112.55 120.41 32.19 67.76 0.05 25.01 6.89 0.37 0.01 0.05 0.00 66.66 1.00 34 G C E 32.87 5.17 20.79 26.50 132.92 -11.87 115.94 -175.90 57.05 42.93 0.02 22.05 34.11 0.46 0.00 0.02 0.00 43.05 0.30 35 P C C 65.26 13.39 16.43 29.58 116.02 -59.01 -70.72 146.55 64.68 35.30 0.02 57.99 5.06 0.14 0.00 0.03 0.00 36.06 0.72 36 I E E 32.37 17.01 15.87 33.38 118.10 -152.15 -111.28 126.36 24.40 75.59 0.02 22.57 1.25 0.03 0.01 0.01 0.00 66.62 9.50 37 P E E 78.79 5.88 23.29 29.74 114.49 -116.24 -68.98 142.98 40.13 59.86 0.01 39.23 1.07 0.04 0.00 0.01 0.00 56.56 3.09 38 L C C 32.60 21.52 12.85 33.58 117.17 -121.92 -83.29 138.48 92.57 7.42 0.01 90.11 2.90 0.04 0.00 0.01 0.00 6.47 0.47 39 P C C 40.83 11.54 17.16 29.86 114.18 -103.66 -65.81 148.36 92.53 7.30 0.17 90.13 2.39 0.31 0.03 0.12 0.00 6.38 0.65 40 T C S 88.10 6.98 16.45 24.65 99.34 -151.13 -90.31 -16.01 78.73 20.61 0.66 33.52 44.19 1.75 0.09 0.57 0.00 18.97 0.92 41 E E E 101.36 4.93 18.50 24.46 124.86 54.41 -117.34 144.16 20.32 78.89 0.79 14.78 5.72 1.01 0.13 0.54 0.00 77.32 0.51 42 R E E 108.14 13.68 13.98 27.55 126.86 -163.99 -126.26 139.22 6.55 93.01 0.44 5.82 0.52 0.15 0.11 0.19 0.00 93.05 0.15 43 S E E 34.22 10.08 17.17 28.75 128.79 -170.33 -127.07 146.87 1.64 98.29 0.07 1.38 0.11 0.03 0.02 0.02 0.00 98.40 0.05 44 L E E 72.33 10.30 17.39 28.69 119.44 -143.67 -108.77 131.17 1.11 98.82 0.07 0.94 0.06 0.01 0.01 0.02 0.00 98.92 0.02 45 Y E E 49.34 14.12 15.43 30.61 125.50 -170.36 -119.96 140.35 1.52 98.36 0.12 1.33 0.08 0.02 0.03 0.04 0.00 98.46 0.04 46 T E E 53.18 9.01 19.18 29.33 119.06 -146.11 -106.59 132.30 2.94 96.89 0.17 2.71 0.13 0.03 0.06 0.06 0.00 96.90 0.10 47 V E E 27.89 15.22 15.01 31.16 118.57 -157.73 -109.71 128.49 10.76 88.31 0.92 9.52 0.90 0.27 0.48 0.33 0.00 87.96 0.55 48 I E E 64.03 8.93 16.39 26.85 115.76 -148.43 -96.41 131.72 29.48 67.23 3.28 23.02 5.56 1.85 1.55 1.48 0.00 65.45 1.08 49 R C E 113.52 7.96 14.38 23.56 115.56 -145.87 -95.11 132.29 50.81 42.82 6.37 36.39 11.35 4.04 3.06 3.10 0.03 39.61 2.41 50 A C C 42.64 8.21 10.94 20.93 117.87 -124.50 -90.42 141.44 73.91 17.74 8.35 54.50 12.40 6.73 3.64 4.56 0.01 15.94 2.23 51 T C T 92.20 3.72 11.31 16.43 101.39 -129.38 -77.11 -8.28 81.32 3.89 14.79 22.05 28.84 31.87 5.11 8.43 0.03 2.34 1.32 52 H C T 132.11 2.78 9.72 13.76 108.06 55.89 -91.13 56.03 81.65 2.48 15.87 17.35 29.35 36.34 4.60 9.79 0.02 1.29 1.26 53 K C T 154.38 1.92 10.75 13.55 100.42 -55.76 -74.95 -11.15 82.73 3.58 13.69 18.90 30.93 34.39 3.08 9.26 0.02 1.97 1.45 54 Y C C 125.94 5.30 8.76 15.79 110.53 59.76 -104.42 92.75 81.59 8.88 9.53 41.92 19.18 21.55 2.29 7.01 0.01 5.70 2.35 55 K C T 138.00 3.65 10.81 16.15 99.79 160.86 -75.24 -20.65 78.89 11.19 9.92 27.93 20.39 32.21 1.73 7.78 0.02 8.14 1.81 56 D C T 109.89 2.51 13.21 16.60 100.08 50.45 -89.09 11.24 77.95 13.66 8.40 28.77 19.63 31.00 1.23 6.85 0.01 11.17 1.35 57 S C C 43.75 9.02 10.34 20.95 117.76 113.38 -92.59 139.64 71.40 23.69 4.91 52.14 12.85 6.02 0.94 4.12 0.00 22.43 1.50 58 R C E 120.99 7.85 13.17 22.44 122.15 -157.88 -112.60 139.98 49.17 48.87 1.96 38.59 7.05 3.29 0.49 1.46 0.00 47.64 1.47 59 E E E 92.30 8.96 14.40 24.49 121.17 -150.83 -108.44 138.88 29.89 69.29 0.82 23.88 4.45 1.33 0.20 0.58 0.00 69.02 0.55 60 Q E E 91.90 8.09 15.71 25.00 122.70 -147.97 -113.85 138.59 13.00 86.71 0.29 10.79 1.72 0.48 0.08 0.18 0.00 86.51 0.25 61 F E E 56.92 14.32 12.97 27.90 128.63 -173.84 -125.20 147.78 3.83 96.12 0.05 3.39 0.21 0.04 0.01 0.02 0.00 96.25 0.07 62 E E E 89.73 7.06 18.76 26.94 123.41 -154.57 -116.91 138.15 1.02 98.96 0.01 0.88 0.05 0.01 0.00 0.00 0.00 99.03 0.02 63 M E E 59.17 15.34 14.67 30.04 124.68 -160.55 -116.67 137.79 0.94 99.05 0.01 0.83 0.03 0.00 0.00 0.00 0.00 99.12 0.01 64 R E E 89.41 9.51 19.02 29.45 123.37 -168.62 -117.83 135.92 1.17 98.82 0.01 1.03 0.05 0.01 0.00 0.00 0.00 98.89 0.02 65 T E E 45.96 13.36 17.60 31.48 121.87 -157.86 -110.31 134.23 2.72 97.27 0.01 2.33 0.17 0.02 0.00 0.00 0.00 97.43 0.04 66 H E E 39.40 14.50 17.92 33.22 126.23 -171.66 -123.44 140.27 4.56 95.42 0.02 3.95 0.41 0.04 0.00 0.01 0.00 95.49 0.10 67 K E E 88.46 11.42 21.10 32.48 122.86 -152.26 -112.59 137.33 7.82 92.17 0.01 7.16 0.36 0.02 0.00 0.00 0.00 92.35 0.10 68 R E E 36.25 18.81 18.22 36.66 126.26 -166.85 -121.60 139.59 5.27 94.72 0.01 4.83 0.29 0.02 0.00 0.00 0.00 94.79 0.07 69 L E E 40.34 11.83 23.73 36.32 118.15 -152.83 -108.97 128.42 1.12 98.88 0.00 1.01 0.04 0.00 0.00 0.00 0.00 98.93 0.03 70 I E E 6.99 23.90 18.39 42.80 119.80 -165.34 -114.03 127.35 0.26 99.74 0.00 0.23 0.01 0.00 0.00 0.00 0.00 99.76 0.00 71 D E E 45.89 10.02 26.35 37.02 115.60 -159.09 -105.59 122.86 0.36 99.64 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.67 0.00 72 I E E 9.10 23.41 17.13 40.99 115.64 -163.87 -107.39 122.85 3.31 96.67 0.01 3.23 0.08 0.01 0.01 0.00 0.00 96.50 0.17 73 V E E 50.80 9.53 21.48 31.74 122.88 -167.66 -110.52 142.79 30.72 69.24 0.04 13.97 15.94 0.81 0.00 0.04 0.00 68.82 0.42 74 N C S 105.86 3.71 22.72 26.83 92.20 6.48 58.17 48.66 90.70 9.29 0.01 7.70 81.24 1.16 0.00 0.01 0.00 9.75 0.13 75 P C C 16.25 22.85 10.20 32.26 118.07 -167.24 -71.95 146.47 96.09 3.88 0.03 90.37 6.00 0.16 0.01 0.02 0.00 2.86 0.58 76 T C C 58.27 5.15 21.20 26.53 120.32 -125.66 -81.44 158.90 99.74 0.20 0.06 99.03 0.75 0.04 0.04 0.00 0.00 0.06 0.08 77 P H H 85.94 6.85 15.14 23.44 91.34 -108.12 -58.19 -36.37 3.12 0.00 96.88 0.22 0.31 2.42 96.32 0.73 0.00 0.00 0.00 78 K H H 137.86 1.74 19.66 20.65 91.57 53.70 -64.80 -39.26 1.77 0.00 98.22 0.11 0.12 1.44 97.55 0.78 0.00 0.00 0.00 79 T H H 21.37 16.28 16.13 32.60 92.66 48.17 -66.43 -41.56 0.59 0.00 99.41 0.08 0.04 0.39 98.88 0.62 0.00 0.00 0.00 80 V H H 15.06 19.97 15.55 35.46 91.48 51.34 -62.70 -43.14 0.15 0.00 99.85 0.02 0.01 0.09 99.69 0.19 0.00 0.00 0.00 81 D H H 81.34 3.22 22.43 25.13 91.37 50.70 -63.63 -40.06 0.30 0.00 99.70 0.02 0.01 0.21 99.38 0.38 0.00 0.00 0.00 82 A H H 34.61 7.73 19.37 28.47 91.66 51.67 -64.59 -40.67 0.70 0.00 99.30 0.03 0.03 0.57 98.48 0.89 0.00 0.00 0.00 83 L H H 11.06 23.14 14.64 37.45 92.18 52.35 -65.83 -38.27 2.09 0.01 97.91 0.10 0.09 1.80 96.19 1.82 0.00 0.00 0.00 84 M H H 77.85 12.86 17.24 30.06 91.31 57.75 -69.11 -23.23 27.64 0.08 72.29 0.98 0.98 25.78 69.62 2.52 0.04 0.04 0.05 85 K C T 151.91 1.57 20.07 20.72 95.29 57.99 -86.57 -6.77 66.61 0.22 33.17 3.12 2.50 58.93 32.52 2.69 0.01 0.10 0.12 86 L C C 44.67 17.14 9.97 26.59 117.30 104.23 -80.49 141.03 95.30 2.19 2.51 59.62 31.88 3.76 2.07 0.61 0.00 0.92 1.14 87 D C C 117.39 1.64 20.74 21.81 109.67 -130.42 -88.89 112.44 94.14 5.46 0.40 91.22 2.24 0.99 0.20 0.14 0.00 3.01 2.18 88 L C C 36.91 21.56 9.70 29.55 120.21 -168.24 -98.42 139.32 96.21 3.75 0.04 92.51 4.05 0.06 0.01 0.01 0.00 1.60 1.75 89 P C C 50.99 7.91 16.33 25.88 116.30 -107.19 -65.52 154.06 99.18 0.65 0.17 97.85 1.02 0.48 0.03 0.08 0.00 0.32 0.22 90 S C T 89.34 2.43 16.07 19.63 111.11 -87.06 -63.21 139.16 98.57 0.62 0.81 1.28 6.82 90.55 0.07 0.67 0.00 0.40 0.21 91 G C T 48.47 3.66 17.29 21.87 96.15 25.12 86.10 -4.32 98.28 1.15 0.57 2.63 6.22 89.42 0.03 0.57 0.00 1.02 0.10 92 V C C 23.13 19.98 10.01 29.56 119.30 117.99 -98.51 133.50 67.42 32.43 0.16 61.74 4.45 0.34 0.03 0.15 0.00 32.14 1.16 93 N E E 94.09 4.07 23.15 27.41 115.38 -152.49 -104.02 124.92 23.71 76.22 0.07 22.62 0.79 0.13 0.01 0.05 0.00 75.93 0.48 94 I E E 28.91 22.92 11.60 33.56 124.29 -170.09 -121.72 134.78 11.60 88.39 0.01 11.42 0.16 0.01 0.00 0.00 0.00 88.28 0.13 95 E E E 101.75 4.38 23.60 28.30 122.96 -168.23 -117.95 135.06 4.65 95.34 0.01 4.64 0.07 0.01 0.00 0.00 0.00 95.21 0.08 96 I E E 43.90 20.23 11.54 30.76 121.34 -161.88 -115.86 131.37 5.81 94.18 0.01 5.94 0.07 0.01 0.00 0.00 0.00 93.82 0.16 97 K E E 116.96 4.02 18.44 23.63 123.31 -170.36 -121.27 138.62 14.19 85.79 0.01 14.40 0.14 0.02 0.00 0.01 0.00 84.90 0.54 98 L C C 85.53 11.45 13.32 25.13 114.52 -134.09 -89.14 130.39 96.86 3.14 0.00 96.95 0.06 0.00 0.00 0.00 0.00 2.96 0.02