# 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 50.75 17.12 17.18 33.58 119.03 -162.16 -91.88 137.71 99.88 0.11 0.00 99.87 0.05 0.01 0.00 0.00 0.00 0.06 0.01 1 R C C 100.04 11.36 19.14 30.56 118.58 -156.15 -103.85 130.58 59.03 40.51 0.46 56.50 1.43 0.64 0.16 0.22 0.00 37.58 3.47 2 V E E 33.01 15.56 17.63 33.56 126.26 -167.16 -119.25 143.39 33.13 66.33 0.54 26.47 5.98 1.13 0.17 0.44 0.00 62.66 3.14 3 R E E 40.46 17.54 17.87 35.43 124.85 -155.87 -114.30 141.47 23.13 76.57 0.30 20.74 2.09 0.38 0.08 0.22 0.00 75.18 1.31 4 T E E 48.69 9.75 22.35 32.66 127.16 -158.76 -118.28 146.07 19.92 79.89 0.19 17.42 1.94 0.30 0.04 0.15 0.00 79.66 0.51 5 L E E 44.90 15.94 12.59 28.82 120.03 -133.25 -103.79 135.48 9.48 90.45 0.07 8.61 0.63 0.05 0.07 0.02 0.00 64.16 26.46 6 D C C 54.24 6.05 13.81 21.64 125.36 -134.40 -85.26 176.78 97.80 2.17 0.03 97.80 0.44 0.07 0.01 0.01 0.00 1.30 0.37 7 D C T 135.32 0.78 11.73 12.63 89.86 -85.89 -64.58 -19.61 99.66 0.10 0.23 0.38 4.33 94.98 0.01 0.21 0.00 0.07 0.02 8 N C T 121.15 1.20 13.69 14.50 92.93 55.00 -89.60 1.80 99.66 0.05 0.28 0.30 4.68 94.69 0.01 0.27 0.00 0.03 0.01 9 G C S 27.71 10.40 11.99 23.60 96.55 -105.18 85.76 7.53 99.49 0.32 0.19 14.04 84.84 0.74 0.02 0.12 0.00 0.15 0.11 10 D C C 63.53 6.03 18.38 25.64 119.06 137.32 -82.18 146.20 97.02 2.93 0.05 92.51 4.64 0.20 0.02 0.03 0.00 1.67 0.94 11 W E E 46.76 19.89 13.38 33.09 114.61 -115.30 -81.21 133.85 5.07 94.87 0.06 4.61 0.28 0.03 0.08 0.02 0.00 75.32 19.66 12 T E E 51.38 9.27 21.25 31.18 127.05 -173.83 -124.68 148.16 22.01 77.91 0.08 20.59 1.18 0.16 0.03 0.05 0.00 76.75 1.25 13 F C E 77.40 14.96 15.59 30.22 113.25 -134.11 -94.61 129.74 52.38 46.92 0.70 39.81 9.35 3.20 0.18 0.64 0.00 44.60 2.21 14 G C C 29.18 10.20 14.99 25.74 119.18 -137.73 78.02 -157.40 79.34 18.63 2.03 43.65 24.55 12.18 0.36 1.85 0.00 15.10 2.32 15 R C S 173.37 2.33 15.21 18.50 110.22 -42.22 -101.29 105.51 82.31 11.90 5.79 24.85 35.89 22.64 1.04 4.63 0.03 7.62 3.31 16 G C S 41.57 4.90 14.87 20.80 120.02 24.31 100.60 -171.27 82.73 5.15 12.12 14.37 40.52 29.13 1.57 9.50 0.02 3.04 1.85 17 K C T 140.02 5.18 15.10 21.70 96.36 -57.55 -72.78 -13.08 65.06 7.69 27.25 20.19 23.39 24.44 3.17 21.91 0.06 4.61 2.22 18 A C C 55.61 9.53 15.78 25.96 95.95 71.03 -79.59 -7.55 56.71 14.64 28.65 27.03 15.20 18.00 3.46 23.08 0.05 11.19 2.00 19 D C C 44.53 14.62 16.70 31.32 100.31 73.76 -93.25 8.69 43.92 29.70 26.38 27.85 9.79 9.92 4.21 19.92 0.05 26.30 1.98 20 Y E E 77.67 13.38 19.99 33.47 122.26 109.68 -106.40 139.22 26.54 70.06 3.41 20.43 4.58 1.74 2.22 1.64 0.08 59.66 9.66 21 I E E 20.58 19.72 15.37 35.32 118.47 -158.83 -111.30 127.99 26.98 72.50 0.52 24.18 1.38 0.20 0.50 0.17 0.00 59.74 13.85 22 T C C 86.12 6.54 20.76 28.29 102.59 177.75 -108.63 -1.43 79.11 20.60 0.28 70.14 8.61 0.42 0.16 0.13 0.00 19.30 1.25 23 S C S 50.94 5.02 22.93 28.21 132.74 54.70 -123.27 162.41 72.94 0.93 26.13 16.78 50.99 3.37 27.61 0.56 0.02 0.27 0.40 24 K H H 83.63 16.83 16.07 31.95 92.10 -108.23 -60.11 -37.75 4.78 0.03 95.19 1.02 0.97 2.59 94.86 0.53 0.01 0.01 0.01 25 K H H 119.39 5.82 22.91 29.77 91.39 54.40 -63.26 -39.29 2.11 0.02 97.87 0.62 0.25 1.11 97.50 0.50 0.00 0.01 0.00 26 A H H 17.37 12.56 22.24 35.69 91.74 51.39 -64.36 -41.59 0.53 0.00 99.47 0.18 0.05 0.24 99.23 0.30 0.00 0.00 0.00 27 I H H 4.60 24.61 22.53 46.54 91.63 49.84 -63.72 -43.45 0.14 0.00 99.86 0.03 0.01 0.07 99.85 0.05 0.00 0.00 0.00 28 A H H 9.37 20.71 24.52 44.47 91.09 50.90 -62.59 -42.94 0.08 0.00 99.92 0.01 0.00 0.04 99.93 0.02 0.00 0.00 0.00 29 Q H H 59.50 8.83 28.73 38.93 91.57 50.51 -64.12 -41.92 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 30 T H H 17.19 17.47 26.55 43.69 91.75 49.91 -64.79 -42.49 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 31 V H H 0.67 28.03 24.50 52.83 90.92 49.15 -63.55 -43.78 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 32 S H H 20.39 18.73 26.02 43.53 91.36 51.01 -62.43 -42.87 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 33 T H H 43.15 8.70 27.53 37.16 91.68 49.89 -64.39 -42.59 0.09 0.00 99.91 0.00 0.00 0.06 99.91 0.01 0.00 0.00 0.00 34 R H H 31.29 18.90 24.75 42.58 91.74 49.09 -64.55 -42.87 0.11 0.00 99.89 0.01 0.00 0.09 99.85 0.05 0.00 0.00 0.00 35 I H H 1.89 27.26 20.58 48.25 91.14 49.33 -63.53 -42.35 0.29 0.00 99.71 0.01 0.01 0.25 99.49 0.24 0.00 0.00 0.00 36 K H H 89.39 12.70 23.96 35.95 91.21 52.04 -63.39 -37.36 1.74 0.00 98.26 0.05 0.05 1.70 97.11 1.09 0.00 0.00 0.00 37 S H H 45.45 9.27 23.38 32.94 91.38 57.75 -68.62 -27.20 17.11 0.01 82.88 0.24 0.40 17.47 80.06 1.82 0.01 0.00 0.01 38 W C H 34.13 18.55 18.16 36.91 97.61 44.51 -99.80 -1.79 52.63 0.40 46.98 3.97 3.56 43.72 44.50 3.63 0.10 0.13 0.38 39 A C T 28.99 19.06 15.66 33.92 107.28 116.79 -63.69 128.91 86.00 0.81 13.19 2.46 4.18 80.77 4.60 6.80 0.02 0.34 0.84 40 N C T 103.46 5.95 21.46 28.10 94.68 18.55 71.14 -0.66 87.63 0.28 12.09 2.49 4.43 82.06 1.94 8.74 0.00 0.13 0.21 41 D C T 67.63 9.52 20.56 30.53 98.59 73.79 -96.07 -14.77 84.50 2.58 12.92 27.52 27.33 28.98 1.43 11.62 0.01 1.09 2.03 42 N C S 15.32 20.73 15.33 35.98 126.48 62.24 -118.24 144.16 85.99 12.78 1.24 21.50 55.17 5.99 0.34 0.80 0.01 3.10 13.09 43 P C T 43.88 13.87 20.24 34.72 92.37 -129.57 -66.62 -24.93 96.98 0.42 2.59 1.81 17.60 77.46 0.15 2.53 0.00 0.21 0.24 44 L C T 52.98 14.67 17.39 31.87 96.58 56.30 -84.79 -8.50 95.40 1.43 3.17 3.49 16.22 75.36 0.37 3.00 0.01 0.69 0.86 45 A C C 29.12 11.77 14.46 27.55 106.61 80.22 -94.35 92.21 83.91 12.92 3.17 64.79 13.12 3.48 1.13 2.10 0.00 4.08 11.30 46 M C T 102.94 9.17 13.68 23.98 94.26 -166.48 -70.11 -24.64 78.73 2.14 19.13 6.81 9.08 61.65 2.05 17.94 0.01 1.08 1.38 47 N C T 127.77 1.40 17.88 18.63 94.94 60.23 -77.50 -18.17 79.56 0.98 19.46 3.70 9.89 64.66 1.70 18.91 0.00 0.56 0.57 48 A C T 40.88 10.98 13.76 25.51 100.14 51.67 -94.31 2.27 75.74 3.06 21.20 13.56 21.68 40.26 2.31 18.65 0.02 1.32 2.21 49 N C C 83.79 9.16 18.48 28.04 98.82 -126.97 71.85 34.01 94.81 3.78 1.41 43.28 28.25 23.49 0.37 0.98 0.00 1.47 2.16 50 I C C 21.69 19.02 13.92 33.02 118.85 148.33 -105.30 131.29 82.99 16.51 0.50 60.70 21.92 0.79 0.30 0.23 0.00 5.67 10.38 51 D C C 62.52 6.39 23.85 30.77 105.81 -132.31 -81.58 107.78 88.07 11.40 0.53 85.91 2.06 0.41 0.35 0.13 0.00 4.08 7.06 52 W H H 20.35 23.83 13.33 36.95 93.31 -167.47 -64.60 -34.67 20.41 0.40 79.19 7.71 3.35 9.47 60.17 18.83 0.06 0.22 0.20 53 K H H 97.00 11.13 18.18 29.45 91.44 61.34 -64.43 -34.77 10.65 0.14 89.20 1.03 1.00 7.20 64.07 26.54 0.04 0.09 0.04 54 D H H 99.37 2.61 21.10 23.44 92.71 53.24 -73.20 -22.18 9.18 0.11 90.71 0.89 0.84 6.19 65.28 26.67 0.02 0.07 0.03 55 L H H 30.61 16.28 14.08 30.48 96.35 51.15 -86.59 -15.50 19.36 0.46 80.18 3.71 3.03 11.69 62.14 18.82 0.14 0.26 0.21 56 L C T 45.19 18.83 11.98 29.61 109.93 100.92 -71.42 126.08 56.61 3.45 39.94 13.88 10.30 33.34 32.07 6.28 0.42 1.52 2.19 57 G C T 55.89 2.97 17.49 20.85 99.14 20.11 83.33 -4.04 73.95 1.78 24.27 14.12 16.84 43.34 17.53 6.21 0.08 0.82 1.08 58 R C S 137.78 4.21 14.66 20.32 122.00 83.85 -102.14 157.45 86.91 1.32 11.77 15.71 44.21 28.23 5.97 4.38 0.01 0.56 0.92 59 K C C 153.85 2.52 16.56 20.00 109.03 -90.36 -77.22 124.65 93.92 2.19 3.89 46.76 26.35 21.14 1.32 2.28 0.00 1.01 1.13 60 G C C 26.79 15.37 10.63 24.99 122.52 -163.91 -101.99 165.33 95.66 3.22 1.11 78.99 13.58 2.92 0.50 0.56 0.00 1.44 2.00 61 T C C 73.26 3.95 20.46 24.18 116.44 -118.23 -95.75 140.83 96.50 2.05 1.45 92.59 3.27 0.68 1.16 0.25 0.00 0.72 1.33 62 E H H 85.86 14.99 13.39 27.76 93.05 -130.26 -60.40 -38.46 5.95 0.04 94.01 1.80 1.12 2.88 93.47 0.71 0.01 0.01 0.02 63 D H H 101.73 2.43 19.61 22.15 92.07 53.30 -64.58 -38.95 3.58 0.02 96.40 0.75 0.37 2.22 95.94 0.69 0.00 0.01 0.01 64 T H H 54.14 6.05 19.90 26.76 92.00 48.86 -65.71 -41.24 1.35 0.02 98.63 0.40 0.14 0.73 98.13 0.58 0.00 0.01 0.00 65 I H H 6.18 22.47 15.74 38.52 91.51 50.45 -64.03 -44.06 0.26 0.00 99.74 0.07 0.02 0.11 99.71 0.08 0.00 0.00 0.00 66 L H H 33.67 16.75 20.13 36.45 91.29 50.90 -62.40 -42.46 0.09 0.00 99.91 0.01 0.00 0.04 99.93 0.01 0.00 0.00 0.00 67 R H H 122.59 3.27 25.46 28.12 91.75 50.23 -64.10 -41.39 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 68 E H H 49.37 11.35 23.05 34.77 91.74 49.39 -64.41 -41.90 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 69 I H H 1.33 27.35 18.76 46.80 90.95 48.92 -63.51 -43.57 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 70 E H H 60.73 16.16 22.54 37.36 91.23 51.18 -62.10 -42.33 0.03 0.00 99.97 0.00 0.00 0.02 99.98 0.00 0.00 0.00 0.00 71 R H H 129.34 3.07 26.31 28.87 91.57 49.89 -64.27 -41.56 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 72 V H H 23.40 14.49 22.00 36.82 92.09 47.71 -65.02 -42.94 0.15 0.00 99.85 0.00 0.00 0.12 99.82 0.05 0.00 0.00 0.00 73 V H H 1.17 27.74 16.71 45.33 91.43 48.59 -64.61 -41.57 0.73 0.00 99.27 0.03 0.03 0.65 99.01 0.29 0.00 0.00 0.00 74 V H H 52.86 14.01 19.62 33.50 91.20 52.43 -69.80 -24.21 16.28 0.01 83.70 0.35 0.34 16.06 82.54 0.68 0.01 0.00 0.01 75 Q C T 127.05 2.53 22.75 25.19 92.90 58.73 -83.78 -8.75 69.33 0.05 30.62 1.36 1.83 64.49 31.36 0.90 0.01 0.02 0.03 76 T C S 16.15 21.54 10.75 31.80 117.22 99.50 -81.45 136.35 98.96 0.58 0.46 16.50 81.74 0.68 0.44 0.06 0.00 0.14 0.45 77 D C T 109.84 2.29 23.23 25.36 109.51 -116.64 -68.51 129.74 99.41 0.26 0.34 0.55 5.94 93.07 0.05 0.17 0.00 0.13 0.08 78 G C T 15.54 15.68 19.45 34.68 96.58 26.62 86.63 -4.51 99.77 0.16 0.06 1.40 4.92 93.48 0.01 0.05 0.00 0.13 0.01 79 V E E 5.12 25.66 12.72 39.08 110.31 111.37 -83.79 118.16 12.63 87.35 0.02 12.57 0.30 0.02 0.01 0.01 0.00 86.49 0.61 80 I E E 81.76 6.60 23.77 31.15 100.88 173.40 -96.87 -32.33 11.28 88.71 0.00 9.53 0.93 0.03 0.00 0.00 0.00 89.45 0.06 81 R E E 106.21 4.94 25.85 31.75 139.19 -1.58 -152.74 151.83 1.92 98.08 0.00 1.58 0.13 0.01 0.00 0.00 0.00 98.27 0.02 82 V E E 15.47 23.94 13.17 37.03 110.88 -130.41 -95.54 118.83 0.34 99.65 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.64 0.01 83 T E E 63.11 6.44 22.34 29.50 100.69 174.96 -94.33 -33.91 1.00 99.00 0.00 0.70 0.13 0.01 0.00 0.00 0.00 99.16 0.00 84 E E E 82.93 6.57 24.16 31.47 139.68 1.53 -154.74 149.70 0.77 99.23 0.00 0.57 0.07 0.01 0.00 0.00 0.00 99.34 0.01 85 L E E 31.00 22.84 13.51 35.31 127.25 -169.96 -134.47 134.16 1.06 98.93 0.01 0.93 0.05 0.01 0.00 0.00 0.00 98.99 0.02 86 E E E 85.59 6.80 24.58 31.98 124.78 -173.28 -128.41 135.23 2.06 97.91 0.02 1.72 0.17 0.02 0.01 0.01 0.00 98.04 0.04 87 V E E 34.57 18.73 15.89 34.28 122.14 -166.31 -116.64 129.28 6.20 93.75 0.05 5.40 0.37 0.05 0.01 0.02 0.00 94.08 0.07 88 I E E 59.36 9.19 18.01 28.83 119.27 -164.77 -115.33 125.84 6.05 93.81 0.14 5.20 0.61 0.13 0.05 0.06 0.00 93.67 0.28 89 K E E 79.39 8.70 14.64 25.01 110.35 -161.96 -104.70 107.87 18.07 81.75 0.19 16.46 1.16 0.23 0.08 0.09 0.00 81.26 0.72 90 T C T 77.28 6.89 12.51 21.03 97.13 -169.55 -70.13 -33.60 85.11 3.59 11.29 7.39 7.85 69.14 0.75 11.12 0.00 3.32 0.42 91 E C T 157.64 0.75 14.39 13.84 95.62 45.90 -74.06 -33.94 87.77 1.07 11.16 4.38 7.67 75.24 0.97 10.63 0.00 0.80 0.32 92 K C T 121.82 2.99 14.28 17.84 99.88 26.94 -98.60 -4.06 90.23 0.54 9.23 5.70 8.11 75.57 0.86 9.20 0.00 0.40 0.17 93 R C T 101.42 11.13 13.57 25.66 95.81 -124.51 56.72 40.78 98.20 1.03 0.77 12.73 7.70 77.90 0.18 0.48 0.00 0.91 0.11 94 V E E 43.40 9.60 18.96 30.18 125.50 139.77 -118.61 141.07 9.46 90.42 0.11 7.86 1.14 0.20 0.05 0.05 0.00 90.25 0.44 95 Q E E 15.78 20.90 16.33 37.30 124.16 -161.50 -119.22 136.08 2.34 97.62 0.03 2.02 0.13 0.02 0.01 0.01 0.00 97.76 0.05 96 S E E 26.45 9.97 24.73 35.81 121.03 -161.66 -113.05 133.92 0.77 99.22 0.01 0.64 0.03 0.01 0.00 0.00 0.00 99.30 0.01 97 I E E 6.03 24.26 16.83 41.58 125.17 -170.41 -122.98 136.59 0.37 99.62 0.01 0.31 0.01 0.00 0.00 0.00 0.00 99.66 0.01 98 L E E 47.41 9.06 26.09 36.13 118.81 -158.66 -110.35 129.23 0.44 99.56 0.01 0.36 0.02 0.00 0.00 0.00 0.00 99.61 0.01 99 L E E 4.20 24.88 16.83 42.43 126.03 -172.05 -121.87 138.39 0.54 99.46 0.01 0.45 0.02 0.00 0.00 0.00 0.00 99.52 0.01 100 S E E 23.29 9.43 26.03 36.81 121.26 -160.16 -115.05 133.28 0.37 99.63 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.68 0.01 101 Y E E 8.77 23.66 16.78 40.84 128.72 -171.72 -126.39 143.16 0.54 99.45 0.01 0.44 0.02 0.00 0.00 0.00 0.00 99.51 0.01 102 D E E 46.72 7.81 24.09 32.82 116.77 -150.78 -107.72 125.10 3.73 96.22 0.05 3.10 0.34 0.05 0.02 0.01 0.00 96.33 0.14 103 T E E 14.54 17.81 14.03 32.21 126.83 -167.18 -105.64 166.74 31.58 68.03 0.39 26.89 3.87 0.81 0.13 0.26 0.00 66.98 1.06 104 I C T 84.60 9.51 16.20 26.53 93.80 -100.39 -65.52 -25.56 92.07 5.74 2.19 4.55 22.23 65.41 0.24 1.85 0.00 5.16 0.57 105 Y C T 128.92 5.53 14.31 21.05 99.01 47.14 -94.39 3.11 96.17 1.91 1.92 5.60 22.53 67.98 0.17 1.88 0.00 1.55 0.30 106 D C S 102.21 3.71 14.51 19.55 106.44 -89.39 73.13 22.52 88.00 10.44 1.55 32.54 45.17 10.65 0.17 1.58 0.00 8.54 1.35 107 D C C 88.36 4.30 14.15 20.01 116.58 134.38 -87.79 140.59 79.29 20.04 0.67 71.68 4.40 1.63 0.14 0.49 0.00 20.97 0.68 108 S E E 58.84 11.69 11.81 24.07 125.92 -161.60 -122.23 143.75 30.32 68.58 1.10 25.69 3.09 0.91 0.31 0.67 0.00 68.78 0.54 109 E E E 92.56 7.62 16.42 25.55 125.03 -167.67 -123.25 139.86 7.42 91.68 0.90 6.07 0.88 0.44 0.32 0.47 0.00 91.61 0.20 110 T E E 74.41 9.91 15.46 26.48 121.79 -154.25 -111.81 133.53 4.62 94.61 0.76 3.96 0.40 0.24 0.35 0.35 0.00 94.58 0.13 111 L E E 54.18 12.72 14.82 28.47 125.21 -171.43 -122.33 138.01 4.64 94.63 0.73 4.02 0.39 0.24 0.36 0.32 0.00 94.53 0.14 112 E E E 106.39 6.94 18.29 26.59 120.27 -152.40 -108.48 134.81 7.10 92.19 0.71 6.26 0.55 0.32 0.37 0.34 0.00 91.89 0.27 113 I E E 50.13 15.32 12.96 28.30 119.28 -163.87 -111.83 130.69 21.82 77.16 1.02 18.08 2.48 1.30 0.39 0.61 0.00 76.33 0.81 114 N C E 87.51 6.73 15.20 23.10 118.11 -161.00 -107.99 129.48 50.60 48.13 1.27 34.09 11.63 4.97 0.24 1.02 0.00 47.18 0.86 115 D C C 90.98 6.63 13.22 21.17 104.97 -151.65 -90.34 45.54 74.92 23.88 1.20 67.03 2.89 3.76 0.26 0.92 0.00 23.40 1.74 116 L C C 81.37 10.56 13.02 24.12 101.31 115.65 -81.90 -1.23 99.76 0.23 0.01 99.71 0.09 0.04 0.00 0.00 0.00 0.14 0.02