# 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 75.48 12.89 17.26 29.95 120.23 -159.23 -103.76 131.08 99.91 0.09 0.00 99.87 0.06 0.02 0.00 0.00 0.00 0.04 0.01 1 H C C 107.62 7.73 20.77 28.66 109.10 -133.26 -88.70 114.04 91.80 7.99 0.21 89.53 1.95 0.92 0.08 0.09 0.00 4.65 2.78 2 V C C 12.57 23.71 10.65 33.56 120.17 -149.23 -103.23 135.83 83.39 16.47 0.13 79.19 3.68 0.15 0.07 0.05 0.00 4.68 12.19 3 K C C 106.74 3.81 23.35 27.23 129.33 -163.68 -114.93 157.38 98.55 1.41 0.03 98.47 0.43 0.04 0.01 0.01 0.00 0.47 0.56 4 K C T 125.13 8.21 14.92 24.55 110.05 -84.15 -59.70 135.08 99.60 0.29 0.12 0.13 0.96 98.67 0.00 0.06 0.00 0.14 0.04 5 G C T 44.59 3.83 19.20 23.87 96.05 25.64 89.58 -6.51 99.90 0.06 0.03 0.14 0.97 98.82 0.00 0.02 0.00 0.04 0.00 6 D C C 35.17 13.77 15.03 30.01 117.93 133.59 -70.84 146.25 97.61 2.39 0.00 96.74 0.96 0.03 0.00 0.00 0.00 2.20 0.07 7 K E E 100.76 7.58 24.00 32.06 115.29 -124.12 -88.22 132.50 2.50 97.49 0.01 2.60 0.07 0.00 0.01 0.00 0.00 96.51 0.81 8 V E E 3.83 25.21 16.57 42.34 133.99 -174.58 -135.18 154.19 1.05 98.94 0.00 0.96 0.04 0.01 0.00 0.00 0.00 98.95 0.04 9 M E E 52.22 10.33 26.48 37.79 120.41 -135.66 -109.56 133.38 1.60 98.35 0.05 1.46 0.10 0.04 0.01 0.03 0.00 98.28 0.08 10 V E E 8.93 22.56 16.46 39.78 109.27 -122.30 -77.89 122.64 14.90 85.02 0.08 14.77 0.40 0.05 0.02 0.04 0.00 83.95 0.77 11 I C C 55.16 10.70 21.68 33.23 99.70 176.64 -98.74 -25.64 90.50 9.19 0.31 61.00 25.83 3.37 0.04 0.34 0.00 8.85 0.56 12 S C S 48.18 5.17 22.64 28.41 141.44 9.97 -153.81 160.48 96.40 3.12 0.48 9.01 81.00 6.79 0.06 0.39 0.00 1.89 0.86 13 G C S 36.48 4.64 18.64 24.51 127.87 34.51 94.32 -163.11 95.22 1.40 3.37 6.25 80.73 8.69 0.37 2.40 0.00 0.53 1.03 14 K C T 155.50 2.31 18.62 21.36 93.71 -45.86 -69.85 -21.77 90.38 0.94 8.68 1.57 20.06 68.71 0.33 8.30 0.00 0.47 0.55 15 D C T 34.97 15.84 12.62 28.82 96.05 51.88 -99.22 8.12 92.82 0.81 6.37 4.50 10.93 76.17 0.34 7.20 0.00 0.50 0.36 16 K C T 102.68 10.59 13.82 25.67 110.95 135.56 -61.58 132.26 97.73 0.72 1.55 1.45 2.31 94.21 0.16 1.17 0.00 0.33 0.36 17 G C T 50.88 3.42 19.62 23.56 94.06 21.14 85.84 -2.38 98.92 0.45 0.63 1.20 2.87 94.89 0.04 0.60 0.00 0.35 0.06 18 K C C 79.97 10.49 17.58 29.01 120.88 125.80 -79.13 148.00 96.85 3.04 0.11 92.74 3.59 0.48 0.02 0.10 0.00 2.87 0.20 19 Q E E 96.28 9.40 20.59 31.07 126.82 -148.70 -115.95 144.52 8.21 91.77 0.03 7.84 0.47 0.03 0.01 0.01 0.00 89.90 1.72 20 G E E 9.13 13.93 21.34 36.23 144.89 136.17 -173.63 -176.18 1.62 98.38 0.00 1.30 0.16 0.01 0.00 0.00 0.00 98.51 0.02 21 T E E 49.73 8.66 25.93 35.65 120.63 -74.84 -103.58 138.81 0.45 99.55 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.58 0.00 22 I E E 6.09 24.89 15.12 41.14 109.17 -116.25 -75.46 123.92 0.39 99.61 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.61 0.01 23 L E E 63.87 8.51 23.65 32.96 100.60 175.52 -96.74 -32.45 1.06 98.93 0.00 0.70 0.19 0.01 0.00 0.00 0.00 99.09 0.01 24 A E E 40.13 7.13 25.99 34.34 141.27 0.16 -156.25 152.34 0.33 99.67 0.00 0.22 0.03 0.00 0.00 0.00 0.00 99.74 0.00 25 A E E 18.43 22.43 14.52 36.25 125.71 -164.41 -131.82 132.83 0.70 99.30 0.00 0.59 0.03 0.00 0.00 0.00 0.00 99.35 0.02 26 F E E 56.08 8.05 19.46 29.46 110.31 -162.04 -113.40 104.98 6.62 93.36 0.02 6.00 0.40 0.03 0.01 0.01 0.00 93.20 0.36 27 P C T 66.32 11.22 13.54 25.90 93.76 -175.37 -64.94 -31.13 55.10 1.13 43.76 1.88 3.12 46.78 0.48 46.74 0.00 0.88 0.12 28 K C T 166.03 0.76 16.33 15.58 93.19 53.67 -68.58 -34.67 57.61 0.34 42.05 0.86 2.42 51.41 0.49 44.55 0.00 0.20 0.08 29 K C T 117.71 3.59 16.22 20.30 97.75 32.80 -98.06 -4.76 58.69 0.13 41.17 0.84 2.52 51.31 0.38 44.83 0.00 0.07 0.04 30 D C T 61.33 12.52 15.27 28.58 94.85 -126.34 56.47 42.63 99.62 0.11 0.27 2.88 2.56 94.26 0.03 0.18 0.00 0.08 0.01 31 R E E 60.47 11.66 21.86 34.30 135.06 126.15 -132.13 155.47 4.25 95.75 0.00 3.39 0.40 0.04 0.00 0.00 0.00 96.04 0.12 32 V E E 4.19 24.59 18.24 43.69 122.20 -146.95 -116.92 133.91 0.15 99.85 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 33 L E E 37.03 11.11 26.52 38.76 116.88 -151.96 -105.49 127.07 0.06 99.94 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.95 0.00 34 V E E 5.87 24.41 16.55 41.50 120.21 -168.40 -113.64 128.52 0.30 99.70 0.00 0.26 0.00 0.00 0.00 0.00 0.00 99.73 0.00 35 E E E 94.10 7.04 23.09 30.48 118.07 -149.92 -90.70 141.91 12.86 87.04 0.10 5.70 3.20 3.43 0.01 0.11 0.00 87.42 0.14 36 G C S 38.06 5.75 21.93 28.36 97.67 18.82 77.68 13.53 69.83 29.95 0.22 16.32 36.16 14.75 0.01 0.26 0.00 32.17 0.33 37 V C C 26.97 21.32 12.39 32.51 113.29 144.10 -89.11 125.31 63.86 35.35 0.79 48.67 10.61 3.83 0.10 0.77 0.00 35.01 1.00 38 N C E 80.89 7.46 21.10 28.76 108.97 -143.77 -99.90 76.53 53.97 45.40 0.63 33.67 14.69 5.73 0.07 0.64 0.00 44.34 0.86 39 M E E 73.67 13.71 15.16 28.93 119.56 -151.21 -102.64 132.41 25.32 74.32 0.36 20.92 3.98 0.72 0.10 0.27 0.00 72.65 1.37 40 V E E 60.10 10.48 15.59 27.17 123.90 -169.51 -118.69 137.50 11.72 88.07 0.21 10.47 1.13 0.23 0.08 0.13 0.00 87.04 0.92 41 K E E 115.28 7.72 14.83 23.91 116.12 -136.72 -93.58 130.48 13.05 86.54 0.42 11.43 1.30 0.40 0.15 0.26 0.00 85.72 0.74 42 K E E 106.49 7.80 13.42 22.61 118.45 -161.46 -107.53 136.03 26.37 71.78 1.86 20.87 4.25 1.39 0.36 1.45 0.00 70.87 0.82 43 H E E 117.84 5.98 12.38 19.97 115.91 -136.46 -96.52 133.34 38.83 59.82 1.34 30.00 7.95 1.97 0.27 1.13 0.00 56.96 1.72 44 S C C 55.07 7.61 11.04 20.24 122.03 -164.83 -108.03 146.89 63.62 35.27 1.11 51.11 10.93 1.41 0.26 0.98 0.00 31.61 3.69 45 K C C 138.06 2.94 13.14 17.50 115.63 -110.30 -85.11 138.38 89.89 9.49 0.62 78.61 10.08 1.11 0.20 0.43 0.00 8.31 1.26 46 P C C 74.59 7.36 9.22 18.14 112.19 -106.02 -66.73 146.56 85.25 6.20 8.55 66.68 9.68 8.71 2.41 6.20 0.00 4.33 1.99 47 T C C 83.17 3.62 9.92 15.21 117.39 -153.02 -101.42 156.59 82.08 8.89 9.03 51.35 17.34 12.99 2.69 6.18 0.02 3.84 5.60 48 Q C T 149.76 1.24 9.74 11.67 96.17 -101.62 -68.96 -27.66 90.15 1.51 8.34 10.70 36.74 43.53 1.63 5.76 0.01 0.76 0.88 49 A C T 92.58 1.00 10.69 11.67 97.48 46.18 -81.21 -23.63 92.66 1.08 6.26 9.65 37.75 45.96 1.25 4.22 0.00 0.55 0.61 50 N C S 77.46 5.36 8.62 15.92 111.88 29.60 -127.24 90.59 89.14 9.61 1.24 42.00 43.68 3.46 0.39 0.85 0.00 3.77 5.85 51 P C T 96.40 3.75 9.92 15.76 95.29 -171.41 -66.12 -21.19 88.23 3.55 8.21 23.51 15.73 48.47 0.75 8.23 0.00 2.41 0.88 52 Q C T 135.83 1.82 12.93 15.33 99.89 60.08 -86.82 1.05 83.82 7.04 9.14 20.36 16.90 46.56 0.92 8.68 0.01 4.77 1.80 53 G C C 31.17 8.60 11.87 21.64 118.99 -108.31 80.40 174.39 87.52 8.04 4.43 50.87 20.60 15.70 0.42 4.89 0.00 5.98 1.54 54 G C C 32.45 6.73 15.14 23.05 122.20 -156.87 109.33 -173.12 69.56 29.52 0.92 45.38 19.19 5.19 0.14 0.92 0.00 27.70 1.47 55 I E E 85.13 11.08 13.19 24.86 120.99 -64.91 -107.57 135.30 17.22 82.72 0.07 15.02 2.07 0.21 0.02 0.05 0.00 80.73 1.90 56 S E E 47.01 7.94 15.78 25.23 124.28 -169.96 -119.99 143.23 6.34 93.64 0.02 5.85 0.38 0.04 0.01 0.01 0.00 93.36 0.36 57 N E E 93.99 9.83 14.22 25.16 119.12 -153.97 -112.66 130.62 6.75 93.23 0.02 5.57 0.99 0.06 0.00 0.01 0.00 93.25 0.13 58 Q E E 81.79 7.09 17.63 26.03 130.61 173.52 -133.71 148.01 5.32 94.65 0.02 4.61 0.58 0.05 0.00 0.01 0.00 94.54 0.20 59 E E E 103.63 9.94 16.70 27.40 117.00 -119.20 -85.40 136.93 9.25 90.73 0.02 8.60 0.54 0.05 0.01 0.01 0.00 90.26 0.53 60 A E E 21.20 14.75 17.17 32.73 135.18 169.17 -139.46 153.17 29.30 70.69 0.01 27.82 0.71 0.02 0.00 0.00 0.00 71.20 0.25 61 P E E 64.12 9.51 22.55 32.16 113.96 -103.63 -68.31 142.17 24.24 75.75 0.01 21.13 2.34 0.11 0.00 0.01 0.00 75.71 0.69 62 I E E 13.46 23.21 15.67 38.89 129.10 -172.86 -128.65 145.16 17.38 82.60 0.02 16.14 1.09 0.05 0.00 0.01 0.00 78.23 4.47 63 H E E 65.40 8.82 24.64 34.06 112.53 -119.28 -80.16 133.95 31.85 68.13 0.02 33.11 0.40 0.02 0.01 0.01 0.00 61.20 5.24 64 V H G 25.15 21.83 15.98 37.53 91.66 -129.12 -60.76 -30.47 8.03 0.31 91.66 1.24 0.94 4.77 1.04 91.72 0.00 0.28 0.01 65 S H G 63.61 7.86 22.41 31.17 90.38 66.68 -71.15 -14.93 7.05 0.18 92.76 0.39 0.60 5.16 0.76 92.93 0.00 0.15 0.00 66 N H G 55.15 12.57 21.58 34.78 96.60 53.25 -100.57 2.63 8.17 0.24 91.60 0.87 0.99 5.04 0.64 92.26 0.00 0.19 0.01 67 V C C 7.18 25.04 16.55 42.07 119.88 95.65 -97.36 136.39 54.95 41.84 3.22 40.57 12.50 1.55 1.44 1.67 0.02 31.14 11.12 68 M C C 52.46 13.36 25.83 38.97 122.91 -167.23 -119.64 133.39 55.76 44.20 0.04 53.08 2.56 0.10 0.01 0.03 0.00 42.63 1.59 69 P E E 23.22 18.77 21.39 39.61 115.05 -119.64 -72.71 142.80 49.77 50.19 0.04 41.42 7.35 0.24 0.01 0.04 0.00 50.17 0.79 70 L E B 42.66 14.07 18.63 33.31 119.56 -145.15 -107.29 133.29 7.46 92.52 0.03 6.81 0.29 0.01 0.04 0.00 0.00 41.48 51.37 71 D C C 32.13 11.47 14.61 28.24 107.83 -126.68 -82.24 117.31 89.85 10.13 0.02 90.62 0.49 0.05 0.00 0.01 0.00 7.79 1.04 72 P C T 78.07 7.86 13.79 23.35 92.67 -155.18 -65.68 -25.39 99.82 0.04 0.14 0.27 2.73 96.84 0.00 0.13 0.00 0.02 0.01 73 K C T 157.24 1.19 14.56 15.41 97.70 46.75 -76.53 -38.58 99.75 0.06 0.19 0.11 2.15 97.54 0.00 0.16 0.00 0.03 0.02 74 T C T 80.29 2.94 13.15 16.95 101.56 21.15 -103.76 -18.19 99.77 0.06 0.17 0.41 3.35 96.03 0.00 0.16 0.00 0.03 0.01 75 G C C 43.50 6.26 11.90 20.03 95.70 -125.42 76.72 6.42 99.29 0.53 0.18 73.71 9.65 15.92 0.04 0.16 0.00 0.34 0.19 76 E C C 103.11 3.49 17.11 21.75 118.70 137.33 -81.63 144.77 88.01 11.95 0.05 73.74 14.34 0.27 0.01 0.04 0.00 10.57 1.02 77 V E E 77.18 9.62 16.66 27.00 114.08 -104.92 -69.46 141.27 4.98 94.99 0.03 4.74 0.26 0.01 0.05 0.01 0.00 49.89 45.05 78 T C C 21.62 17.72 14.98 32.81 131.57 -171.23 -127.30 154.15 56.10 43.87 0.03 54.43 1.35 0.07 0.01 0.02 0.00 43.68 0.43 79 R E E 97.32 9.36 23.08 32.81 118.22 -117.95 -96.52 136.06 23.55 76.42 0.02 21.46 1.58 0.06 0.01 0.02 0.00 75.97 0.89 80 V E E 25.86 20.27 16.27 36.04 118.67 -142.11 -98.19 133.31 9.20 90.79 0.01 8.68 0.35 0.02 0.00 0.00 0.00 90.77 0.18 81 G E E 13.24 10.76 21.65 33.45 139.50 162.18 -146.89 173.90 2.00 98.00 0.00 1.72 0.12 0.01 0.00 0.00 0.00 98.11 0.05 82 Y E E 97.98 13.55 16.08 29.73 129.31 -119.63 -129.85 144.69 1.38 98.62 0.00 1.21 0.05 0.00 0.00 0.00 0.00 98.71 0.03 83 K E E 84.81 7.45 16.60 25.43 133.16 -176.35 -137.73 155.30 1.18 98.82 0.00 0.99 0.06 0.00 0.00 0.00 0.00 98.93 0.01 84 V E E 87.14 6.55 12.36 20.75 116.46 -127.51 -101.50 127.80 4.09 95.90 0.01 3.41 0.30 0.03 0.00 0.00 0.00 96.20 0.05 85 E E E 87.81 6.81 9.09 17.86 121.27 174.98 -133.07 125.51 9.01 90.90 0.09 5.67 2.15 0.81 0.01 0.09 0.00 90.86 0.40 86 D C T 137.94 0.38 11.54 10.45 93.18 -15.12 51.84 42.44 99.63 0.23 0.14 0.45 4.64 94.58 0.00 0.14 0.00 0.16 0.02 87 G C T 65.18 0.78 10.74 11.46 94.43 -50.64 78.87 3.12 99.82 0.09 0.09 0.48 5.11 94.25 0.00 0.10 0.00 0.06 0.01 88 K E E 118.15 2.92 12.22 17.01 125.99 104.08 -116.32 146.16 5.91 94.09 0.01 4.00 1.51 0.07 0.00 0.01 0.00 94.22 0.19 89 K E E 106.27 7.76 13.24 22.61 114.56 -118.86 -83.19 130.70 1.42 98.58 0.00 1.25 0.03 0.00 0.00 0.00 0.00 98.70 0.01 90 V E E 26.60 12.79 15.53 30.17 128.72 -175.22 -126.75 147.04 0.67 99.33 0.00 0.61 0.01 0.00 0.00 0.00 0.00 99.38 0.00 91 R E E 64.85 12.68 19.66 33.17 116.05 -129.85 -96.05 130.26 0.27 99.73 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.77 0.00 92 V E E 20.95 14.16 19.48 34.99 128.58 -172.60 -126.48 144.63 0.17 99.83 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.82 0.03 93 A E E 10.34 16.14 15.12 33.17 110.26 -113.35 -72.57 128.73 6.52 93.47 0.01 6.39 0.13 0.01 0.00 0.00 0.00 93.08 0.39 94 K C T 99.80 9.46 17.26 27.69 94.01 -148.19 -65.97 -31.70 98.42 1.24 0.34 1.34 3.64 93.63 0.01 0.29 0.00 0.99 0.10 95 K C T 135.74 3.35 17.54 21.56 97.00 46.06 -77.03 -39.00 99.35 0.26 0.38 0.15 1.92 97.47 0.01 0.28 0.00 0.12 0.06 96 S C T 59.16 4.46 15.86 21.30 101.37 21.28 -106.47 -14.77 99.59 0.10 0.31 0.51 2.86 96.28 0.01 0.26 0.00 0.06 0.02 97 G C C 35.66 9.60 13.36 24.16 95.30 -121.86 79.60 7.86 99.32 0.53 0.16 84.93 5.95 8.43 0.03 0.12 0.00 0.38 0.16 98 Q C C 88.37 4.58 17.19 23.24 117.71 144.24 -75.86 144.48 91.63 8.34 0.03 89.17 2.57 0.13 0.01 0.02 0.00 7.51 0.59 99 V E E 79.05 9.01 16.17 26.11 112.81 -112.80 -75.96 133.19 2.46 97.51 0.03 2.40 0.14 0.01 0.04 0.01 0.00 71.51 25.90 100 L E E 45.54 16.19 11.38 27.18 103.98 -163.53 -88.48 -4.53 41.89 57.93 0.19 36.01 3.56 0.87 0.04 0.17 0.00 58.65 0.71 101 D C C 94.31 4.65 15.28 21.06 118.53 23.37 -105.84 133.77 69.59 30.18 0.24 66.16 1.53 1.24 0.04 0.18 0.00 29.97 0.87 102 K C C 141.66 4.93 13.93 20.44 106.62 -134.13 -85.36 91.54 99.75 0.24 0.01 99.71 0.09 0.03 0.00 0.00 0.00 0.16 0.01