# 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 78.47 10.33 20.27 30.56 116.05 -159.29 -93.06 129.61 99.76 0.24 0.00 99.76 0.06 0.01 0.00 0.00 0.00 0.16 0.01 1 V E E 20.84 20.35 14.11 34.12 123.67 -160.06 -113.80 136.19 19.12 80.87 0.02 19.38 0.26 0.02 0.01 0.01 0.00 79.80 0.53 2 K E E 88.62 7.70 23.62 31.70 120.21 -157.96 -111.22 133.43 6.19 93.81 0.01 5.47 0.40 0.03 0.00 0.01 0.00 94.00 0.10 3 L E E 13.85 23.66 15.39 38.89 120.33 -157.50 -107.30 131.58 2.08 97.91 0.00 1.92 0.07 0.00 0.00 0.00 0.00 97.98 0.03 4 R E E 85.53 8.50 25.17 33.98 123.68 -171.34 -123.19 137.70 0.91 99.09 0.00 0.82 0.03 0.00 0.00 0.00 0.00 99.14 0.01 5 L E E 23.58 22.59 15.56 37.49 121.56 -154.91 -108.29 134.07 1.10 98.90 0.00 0.99 0.03 0.00 0.00 0.00 0.00 98.97 0.01 6 K E E 86.60 7.81 23.07 31.33 129.10 -173.81 -128.92 146.22 0.58 99.42 0.00 0.52 0.02 0.00 0.00 0.00 0.00 99.44 0.01 7 R E E 110.94 12.68 16.64 29.28 115.17 -121.19 -83.70 134.13 0.79 99.21 0.00 0.74 0.02 0.00 0.00 0.00 0.00 99.22 0.02 8 C E E 41.12 10.74 15.98 27.99 131.76 173.02 -135.23 161.01 4.66 95.33 0.01 4.01 0.31 0.03 0.00 0.00 0.00 95.56 0.08 9 G E E 35.51 4.72 15.71 22.03 133.35 38.61 123.54 -171.64 16.68 83.27 0.05 12.06 4.07 0.32 0.01 0.03 0.00 83.24 0.28 10 R E E 145.20 3.56 13.81 18.91 123.69 -63.06 -115.99 149.07 45.34 54.46 0.20 38.93 5.20 0.66 0.05 0.17 0.00 53.59 1.41 11 K C T 155.72 2.50 11.87 15.95 106.14 -81.69 -59.66 126.34 96.99 1.14 1.87 3.92 35.64 57.41 0.08 1.90 0.00 0.84 0.21 12 Q C T 154.04 1.19 14.00 15.04 96.01 6.44 52.86 4.32 97.66 0.48 1.86 4.51 36.03 56.92 0.08 2.02 0.00 0.33 0.11 13 R E E 116.88 5.73 14.72 21.82 119.45 59.34 -126.10 121.57 47.75 50.92 1.33 22.53 20.44 7.22 0.12 1.37 0.00 47.37 0.95 14 A E E 25.05 14.11 14.20 29.29 116.55 -145.88 -88.37 139.46 18.91 81.06 0.04 16.87 0.96 0.11 0.01 0.02 0.00 81.85 0.17 15 V E E 25.19 12.52 20.03 34.22 126.16 -168.67 -123.67 141.44 1.60 98.40 0.00 1.38 0.07 0.00 0.00 0.00 0.00 98.52 0.02 16 Y E E 31.29 18.69 19.20 37.72 123.98 -158.28 -115.85 139.03 0.22 99.78 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.00 17 R E E 55.57 13.95 24.57 38.34 127.79 -170.77 -127.31 140.94 0.13 99.87 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.88 0.00 18 I E E 10.00 22.53 20.69 43.50 118.34 -149.52 -106.25 128.20 0.09 99.91 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 19 V E E 14.89 16.55 24.89 41.75 124.68 -168.75 -119.44 136.66 0.12 99.88 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.88 0.00 20 A E E 10.70 19.23 22.44 41.80 118.44 -152.52 -103.52 129.88 0.56 99.44 0.00 0.53 0.01 0.00 0.00 0.00 0.00 99.46 0.01 21 I E E 19.05 16.19 19.15 36.22 130.59 -176.33 -127.53 149.13 4.33 95.66 0.00 4.23 0.07 0.00 0.00 0.00 0.00 95.51 0.18 22 D E E 43.35 8.81 19.23 29.44 111.67 -107.26 -70.32 139.99 23.44 76.43 0.13 22.35 0.97 0.10 0.05 0.06 0.00 75.69 0.79 23 V C T 70.32 11.58 13.69 26.06 92.49 -123.97 -62.55 -27.74 75.48 1.23 23.29 3.64 12.74 59.53 7.96 14.59 0.10 0.80 0.63 24 R C T 174.85 1.29 16.98 17.34 93.66 59.95 -78.01 -14.91 74.00 0.95 25.06 3.88 13.36 57.09 8.24 16.19 0.09 0.56 0.58 25 S C C 40.84 9.02 10.73 21.22 105.39 69.13 -91.68 58.31 69.62 3.54 26.84 36.78 23.61 10.08 10.16 15.83 0.02 1.62 1.90 26 R C C 127.31 8.08 10.99 20.16 97.73 134.34 -71.98 -23.65 71.97 2.94 25.10 52.16 7.89 11.67 11.81 13.26 0.01 1.36 1.85 27 R C T 163.53 2.83 12.78 16.79 95.56 65.20 -71.13 -25.02 64.16 2.00 33.84 16.47 15.98 32.90 10.83 21.55 0.06 0.98 1.23 28 E C T 135.66 2.51 13.17 16.51 99.04 46.66 -86.11 3.04 71.31 0.87 27.82 6.74 13.80 50.83 7.46 20.01 0.03 0.46 0.67 29 G C T 42.31 6.65 13.25 21.16 100.93 -93.96 84.55 5.31 87.10 2.01 10.89 24.25 26.38 36.74 2.06 8.62 0.00 1.09 0.85 30 R C C 119.17 7.42 14.85 23.57 110.75 133.00 -85.86 123.87 89.87 8.31 1.82 73.67 12.09 4.03 0.48 1.48 0.00 6.13 2.12 31 D C C 67.71 10.16 15.84 26.64 113.15 -157.65 -93.83 120.07 73.35 25.71 0.95 67.21 4.19 1.44 0.27 0.72 0.00 22.57 3.59 32 L C C 60.48 15.93 15.07 30.29 103.54 -155.15 -94.90 -10.81 66.09 33.66 0.25 46.96 17.91 0.93 0.04 0.21 0.00 33.36 0.59 33 Q E E 83.13 8.74 21.35 30.31 122.22 -0.63 -112.28 137.20 10.10 89.50 0.40 7.98 1.76 0.27 0.09 0.26 0.00 89.43 0.19 34 K E E 101.07 11.90 19.53 31.32 111.37 -121.60 -78.41 125.27 2.00 97.94 0.06 2.03 0.07 0.01 0.02 0.02 0.00 97.73 0.11 35 V E E 16.53 19.60 17.94 37.87 100.68 175.18 -99.35 -22.18 3.78 96.17 0.05 3.03 0.53 0.06 0.01 0.02 0.00 96.29 0.05 36 G E E 6.62 13.42 21.63 36.40 144.68 -44.37 163.95 -170.13 1.36 98.62 0.02 1.06 0.18 0.02 0.00 0.01 0.00 98.71 0.02 37 F E E 65.26 11.71 22.41 34.84 134.59 -93.70 -140.66 153.25 0.91 99.08 0.01 0.78 0.08 0.01 0.00 0.00 0.00 99.09 0.02 38 Y E E 51.37 16.06 16.21 32.78 121.46 -136.71 -115.19 132.04 0.95 99.05 0.01 0.83 0.09 0.01 0.00 0.00 0.00 98.87 0.19 39 D E E 41.42 7.43 17.08 26.89 110.46 -158.05 -111.43 105.61 15.98 84.00 0.02 14.88 0.57 0.05 0.00 0.02 0.00 84.17 0.30 40 P C T 61.17 10.71 11.80 24.13 93.27 -171.70 -65.69 -28.33 93.10 0.34 6.56 0.77 3.12 88.31 0.12 7.38 0.00 0.25 0.05 41 I C T 132.81 1.45 13.74 15.15 94.02 52.65 -71.49 -37.33 93.82 0.25 5.93 0.98 3.72 88.23 0.17 6.67 0.00 0.16 0.06 42 K C T 137.37 1.65 13.12 14.70 97.68 30.89 -98.84 -3.97 93.94 0.20 5.86 2.63 5.57 84.53 0.20 6.90 0.00 0.12 0.06 43 S C T 79.35 4.83 12.25 19.24 93.96 -125.37 58.36 39.67 99.30 0.37 0.33 10.57 4.02 84.77 0.07 0.21 0.00 0.32 0.04 44 Q E E 81.12 6.56 15.99 24.16 128.30 131.89 -122.69 148.98 12.29 87.68 0.03 10.82 0.95 0.11 0.01 0.02 0.00 87.44 0.65 45 T E E 42.11 16.88 13.93 30.48 126.18 -161.96 -122.77 140.49 2.41 97.58 0.01 2.21 0.10 0.01 0.00 0.00 0.00 97.61 0.07 46 Y E E 98.50 8.76 23.32 32.63 130.41 -172.21 -132.08 143.37 2.60 97.40 0.01 2.32 0.12 0.01 0.00 0.00 0.00 97.45 0.10 47 L E E 22.97 22.53 14.31 36.47 118.13 -135.35 -96.33 132.95 15.38 84.60 0.03 15.12 0.40 0.03 0.01 0.01 0.00 83.12 1.32 48 N C C 66.26 8.35 21.93 30.96 106.69 -146.89 -95.85 100.22 83.48 16.45 0.07 82.35 1.26 0.08 0.03 0.02 0.00 15.70 0.56 49 V H H 43.39 17.80 15.20 32.64 94.33 -175.53 -64.62 -37.31 3.40 0.01 96.59 1.60 0.38 0.95 96.84 0.23 0.00 0.00 0.00 50 P H H 84.37 2.54 23.09 24.77 91.18 55.93 -62.51 -39.82 0.54 0.00 99.46 0.07 0.03 0.34 99.37 0.18 0.00 0.00 0.00 51 A H H 23.08 11.47 19.50 32.18 91.72 50.16 -65.23 -40.80 0.10 0.00 99.89 0.01 0.00 0.06 99.80 0.12 0.00 0.00 0.00 52 I H H 3.06 25.87 15.89 42.22 91.33 50.46 -63.35 -43.67 0.04 0.00 99.95 0.00 0.00 0.02 99.94 0.03 0.00 0.00 0.00 53 L H H 52.26 11.02 21.09 32.58 91.39 50.68 -62.92 -42.08 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 54 D H H 71.54 3.12 23.12 25.54 91.61 50.38 -63.85 -42.63 0.14 0.00 99.86 0.01 0.00 0.10 99.86 0.03 0.00 0.00 0.00 55 F H H 21.04 16.57 17.09 34.38 91.88 49.81 -64.24 -42.62 0.33 0.00 99.66 0.02 0.01 0.26 99.59 0.12 0.00 0.00 0.00 56 L H H 31.60 18.66 14.64 32.82 91.81 50.64 -64.17 -40.04 0.86 0.00 99.14 0.05 0.03 0.72 98.84 0.35 0.00 0.00 0.00 57 E H H 138.33 2.62 17.92 21.31 90.17 54.44 -65.91 -27.48 7.77 0.01 92.22 0.16 0.21 7.65 91.53 0.44 0.00 0.00 0.00 58 K C T 129.97 3.22 16.32 20.30 93.33 53.32 -86.78 -1.63 80.89 0.03 19.07 0.37 1.41 77.55 20.05 0.58 0.00 0.01 0.03 59 G C T 46.65 3.97 18.52 23.17 100.09 -96.01 93.17 7.52 99.55 0.03 0.41 3.63 1.80 94.23 0.27 0.05 0.00 0.02 0.01 60 A C C 19.22 19.43 10.70 29.68 116.34 157.31 -71.85 144.15 97.77 2.18 0.05 97.01 1.05 0.11 0.02 0.02 0.00 1.38 0.41 61 Q C C 122.24 3.15 24.10 27.62 112.62 -135.58 -98.04 120.80 85.33 14.65 0.02 85.10 1.45 0.06 0.01 0.01 0.00 11.97 1.41 62 P C C 31.85 21.84 12.30 33.03 116.09 -119.79 -69.10 146.79 78.22 21.74 0.04 80.41 0.63 0.04 0.02 0.01 0.00 14.34 4.54 63 T C C 44.51 9.22 17.94 28.21 123.00 -127.37 -82.52 166.61 96.83 3.04 0.13 97.04 0.59 0.04 0.09 0.02 0.00 1.20 1.03 64 E H H 141.73 2.14 18.44 21.11 90.81 -100.63 -59.50 -35.90 1.71 0.00 98.28 0.20 0.26 1.04 98.25 0.25 0.00 0.00 0.00 65 T H H 58.86 7.53 19.30 27.64 91.64 53.10 -64.59 -40.84 0.90 0.00 99.10 0.10 0.07 0.61 98.97 0.26 0.00 0.00 0.00 66 V H H 4.76 24.22 15.03 39.44 91.43 48.51 -64.74 -42.63 0.30 0.00 99.70 0.05 0.02 0.16 99.58 0.18 0.00 0.00 0.00 67 Y H H 75.35 13.13 19.02 32.16 91.27 51.20 -62.29 -42.29 0.19 0.00 99.81 0.03 0.01 0.09 99.82 0.05 0.00 0.00 0.00 68 D H H 78.67 2.35 23.45 24.28 91.47 50.08 -63.98 -41.88 0.41 0.00 99.58 0.08 0.02 0.21 99.63 0.04 0.00 0.00 0.00 69 I H H 25.62 13.40 19.23 33.71 91.94 49.41 -64.21 -43.24 0.45 0.00 99.55 0.05 0.03 0.29 99.54 0.09 0.00 0.00 0.00 70 L H H 8.38 21.90 14.89 36.92 91.62 49.60 -64.22 -41.80 1.18 0.01 98.81 0.16 0.08 0.79 98.70 0.26 0.00 0.00 0.00 71 K H H 113.38 5.44 18.57 25.05 91.71 50.66 -63.97 -40.69 5.22 0.02 94.76 0.46 0.25 4.29 94.32 0.65 0.01 0.01 0.01 72 R H H 150.63 2.51 18.54 21.19 91.47 51.39 -65.77 -33.82 11.47 0.02 88.50 0.47 0.51 10.34 88.04 0.61 0.02 0.01 0.01 73 A C T 28.58 12.99 12.95 26.95 94.54 52.78 -83.44 -7.45 75.12 0.13 24.76 1.86 6.81 63.47 26.54 1.16 0.01 0.04 0.12 74 E C T 135.09 3.15 19.57 23.34 94.39 -121.99 59.59 30.38 83.33 0.15 16.52 3.54 5.60 72.29 16.81 1.59 0.00 0.07 0.10 75 V C H 26.96 14.59 15.08 30.61 96.91 123.69 -79.95 -26.32 57.99 0.80 41.22 27.36 12.33 17.67 36.73 5.14 0.02 0.35 0.39 76 F H H 40.58 17.45 13.96 30.91 95.39 61.46 -70.14 -33.51 28.86 1.04 70.10 12.75 6.40 11.44 59.29 9.04 0.08 0.57 0.43 77 K H H 119.65 3.72 18.56 22.93 92.80 60.07 -64.78 -38.59 12.72 0.44 86.84 5.68 2.11 5.26 71.43 15.07 0.03 0.31 0.12 78 E H H 101.85 4.12 18.11 22.70 92.86 51.75 -67.24 -37.62 11.36 0.38 88.26 4.04 1.80 5.48 73.14 15.14 0.03 0.27 0.09 79 F H H 46.33 14.75 13.27 28.22 94.45 50.32 -71.34 -35.49 15.82 0.57 83.61 7.24 3.06 6.39 71.29 11.45 0.04 0.34 0.19 80 R H H 110.05 8.38 15.63 24.78 95.35 56.30 -67.76 -34.17 26.53 1.02 72.45 15.87 4.68 7.79 64.36 6.34 0.02 0.58 0.35 81 L H H 98.05 3.92 14.78 19.50 94.93 58.59 -69.84 -31.05 33.41 0.87 65.72 15.82 5.64 13.10 58.33 6.23 0.04 0.49 0.35 82 N H H 93.77 4.85 13.57 19.65 99.04 50.68 -84.12 -0.23 43.47 0.71 55.83 20.22 7.09 17.18 48.94 5.85 0.03 0.34 0.35 83 Q C H 91.02 8.52 10.82 20.40 104.05 95.05 -80.81 18.14 50.21 1.18 48.61 29.50 9.57 12.01 39.89 7.92 0.01 0.57 0.53 84 T C C 85.33 4.68 11.18 17.45 106.36 112.99 -87.23 77.07 56.54 2.01 41.45 33.61 9.55 13.85 32.72 8.33 0.02 1.08 0.83 85 K C C 138.30 3.15 11.29 16.02 106.88 105.97 -86.90 90.38 64.47 3.30 32.23 38.20 10.88 15.80 23.46 8.47 0.02 1.82 1.35 86 F C C 123.94 6.38 8.56 16.40 108.66 91.82 -89.78 101.13 80.36 2.14 17.51 66.19 2.50 11.86 13.72 3.43 0.00 1.12 1.17 87 N C C 110.87 3.71 12.15 17.49 108.25 -154.12 -92.47 96.77 99.94 0.03 0.03 99.82 0.08 0.07 0.01 0.00 0.00 0.02 0.01