# 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 R C C 151.61 4.22 12.49 18.51 116.70 -156.11 -96.05 134.80 99.87 0.10 0.02 99.79 0.10 0.04 0.01 0.00 0.00 0.05 0.02 1 S C C 72.68 4.53 10.09 16.41 116.06 -139.16 -93.11 141.53 85.48 5.38 9.14 81.41 1.39 4.01 3.12 4.61 0.00 3.15 2.31 2 L C C 112.09 5.09 9.10 15.83 103.84 -146.50 -83.17 -0.13 76.13 7.49 16.38 45.02 16.46 15.25 3.50 12.61 0.01 4.73 2.42 3 K C C 142.20 3.27 11.25 16.18 109.62 93.81 -89.23 111.77 75.24 9.16 15.60 43.89 16.71 15.34 3.21 12.20 0.01 6.07 2.57 4 K C C 139.35 3.82 11.88 17.42 112.21 69.34 -93.94 126.53 78.44 9.84 11.72 46.62 21.77 10.50 3.37 8.04 0.02 5.45 4.25 5 G C C 31.86 8.18 11.87 21.28 129.48 -120.83 155.84 178.08 92.04 5.59 2.37 54.06 29.84 8.26 0.47 2.07 0.00 3.46 1.83 6 P C C 84.76 6.19 14.90 22.11 105.55 -45.08 -71.91 103.10 92.59 4.60 2.81 36.00 33.39 23.69 0.43 2.42 0.00 3.13 0.93 7 F C C 102.80 9.71 15.11 25.50 113.33 56.52 -95.69 122.70 68.21 28.08 3.71 41.48 14.57 12.78 1.27 2.72 0.03 19.49 7.66 8 I C C 56.27 14.82 13.30 28.28 118.49 -162.58 -102.86 129.93 71.23 27.29 1.47 62.40 6.67 0.86 1.12 0.53 0.00 17.77 10.63 9 D C C 60.34 9.44 16.35 27.05 107.04 -130.02 -86.80 111.80 93.83 4.42 1.75 92.64 1.41 0.56 1.28 0.27 0.00 3.01 0.84 10 L H H 90.25 7.23 15.50 24.35 93.92 -168.69 -67.21 -30.47 14.79 0.16 85.05 6.13 1.63 6.92 82.94 2.21 0.01 0.09 0.06 11 H H H 111.77 2.99 19.00 22.02 91.68 59.05 -64.43 -38.35 7.57 0.07 92.36 1.97 0.74 4.71 89.94 2.55 0.01 0.04 0.03 12 L H H 23.42 15.11 15.46 31.37 92.32 52.07 -65.37 -41.36 2.01 0.02 97.97 0.63 0.21 1.11 95.70 2.33 0.00 0.01 0.00 13 L H H 39.64 14.17 16.28 30.95 91.82 52.39 -63.25 -41.72 0.81 0.01 99.18 0.23 0.07 0.44 98.49 0.76 0.00 0.00 0.00 14 K H H 116.79 2.19 22.32 23.22 91.71 50.57 -64.06 -41.41 0.72 0.01 99.27 0.17 0.06 0.43 99.06 0.28 0.00 0.00 0.00 15 K H H 92.07 5.90 20.95 27.27 91.75 49.61 -65.03 -41.33 0.69 0.01 99.30 0.14 0.06 0.43 99.20 0.16 0.00 0.00 0.00 16 V H H 12.82 19.18 15.31 34.86 91.82 50.18 -64.18 -42.78 0.31 0.00 99.69 0.07 0.02 0.16 99.68 0.06 0.00 0.00 0.00 17 E H H 88.71 5.80 20.58 26.97 91.39 50.96 -63.08 -41.68 0.23 0.00 99.77 0.04 0.01 0.13 99.77 0.05 0.00 0.00 0.00 18 K H H 109.73 1.94 21.42 21.69 91.73 49.72 -64.51 -41.41 0.34 0.00 99.66 0.04 0.02 0.23 99.62 0.08 0.00 0.00 0.00 19 A H H 14.95 10.69 13.55 26.76 91.58 50.87 -63.77 -41.25 0.60 0.00 99.40 0.09 0.04 0.37 99.35 0.15 0.00 0.00 0.00 20 V H H 59.05 10.64 13.21 24.66 92.41 49.88 -64.86 -40.82 1.46 0.01 98.53 0.21 0.10 1.02 98.34 0.33 0.00 0.00 0.00 21 E H H 151.61 0.97 15.40 15.46 91.66 51.08 -66.55 -31.85 6.12 0.02 93.86 0.31 0.32 5.23 93.74 0.38 0.01 0.01 0.01 22 S C T 77.30 1.91 12.93 15.22 94.18 50.10 -87.00 -3.14 60.04 0.08 39.88 1.22 2.80 53.26 41.77 0.86 0.01 0.02 0.06 23 G C T 60.32 1.55 13.21 15.45 94.51 -112.37 77.98 13.98 99.07 0.06 0.88 9.01 6.35 83.89 0.46 0.24 0.00 0.03 0.02 24 D C C 67.96 7.16 10.57 19.58 111.58 139.85 -85.95 123.87 98.71 0.46 0.83 85.83 9.85 2.92 0.24 0.62 0.00 0.20 0.34 25 K C C 143.00 4.76 13.96 20.64 98.38 -164.33 -94.08 -3.12 98.88 0.59 0.54 74.97 21.05 2.74 0.10 0.53 0.00 0.28 0.33 26 K C C 120.43 3.40 18.27 22.77 118.19 110.98 -87.09 141.46 98.92 1.04 0.04 55.90 43.04 0.24 0.01 0.02 0.00 0.61 0.19 27 P C C 58.50 12.43 16.01 28.82 116.06 -104.46 -66.00 148.29 95.78 4.19 0.02 90.16 5.52 0.15 0.00 0.02 0.00 3.90 0.25 28 L E E 25.78 20.25 14.07 34.43 115.48 -122.08 -91.58 133.43 15.77 84.19 0.04 14.92 0.54 0.03 0.02 0.02 0.00 76.48 8.00 29 R E E 127.42 6.55 23.13 30.62 116.98 -143.86 -96.17 131.84 15.45 84.52 0.03 15.03 0.56 0.04 0.01 0.02 0.00 82.85 1.51 30 T E E 27.49 20.54 13.38 33.15 126.40 -168.00 -116.62 143.82 45.56 54.26 0.18 41.77 2.56 0.34 0.04 0.13 0.00 53.43 1.73 31 W C C 129.95 7.33 20.45 28.44 103.10 -163.59 -99.38 -11.43 75.29 24.09 0.62 40.76 31.83 3.72 0.11 0.60 0.00 21.00 1.96 32 S C C 34.94 12.66 16.15 29.44 125.18 54.28 -118.57 140.04 87.46 11.08 1.46 58.19 23.65 5.62 0.25 1.48 0.00 8.91 1.90 33 R C S 127.55 10.61 16.35 27.41 98.56 -167.79 -93.18 -11.21 85.72 6.02 8.27 29.16 32.57 24.46 0.82 7.56 0.00 4.14 1.28 34 R C S 153.75 3.69 20.39 24.56 100.49 59.52 -91.07 12.22 85.81 5.83 8.36 24.34 37.67 24.32 0.68 7.74 0.01 4.11 1.13 35 S C C 23.74 17.59 13.49 31.00 121.43 106.52 -93.87 150.52 77.16 14.47 8.37 53.86 17.78 5.50 0.84 7.83 0.00 12.89 1.30 36 T E E 64.16 7.88 23.49 32.01 120.61 -133.41 -106.51 135.10 38.22 60.84 0.94 32.25 4.29 0.80 0.40 0.67 0.00 53.20 8.37 37 I E E 24.97 22.08 14.59 36.70 117.56 -151.06 -102.51 127.44 25.96 73.93 0.10 24.45 1.17 0.06 0.08 0.04 0.00 50.48 23.71 38 F C C 66.15 10.10 19.61 30.65 114.59 -139.97 -84.48 133.62 98.55 1.43 0.02 98.45 0.46 0.02 0.00 0.01 0.00 0.96 0.10 39 P H G 73.21 9.76 16.04 26.88 91.20 -122.32 -58.54 -31.08 11.53 0.15 88.32 0.90 0.91 8.11 0.86 89.09 0.00 0.12 0.01 40 N H G 105.81 4.02 20.31 25.33 89.72 64.18 -68.76 -15.27 10.77 0.09 89.14 0.30 0.58 8.89 0.70 89.46 0.00 0.07 0.01 41 M H G 15.08 21.34 13.78 35.64 94.40 58.15 -93.33 -5.74 9.93 0.13 89.94 1.01 0.94 6.12 0.73 91.10 0.00 0.09 0.01 42 I C T 62.03 14.23 15.82 30.58 112.89 115.80 -63.03 133.04 97.23 1.23 1.54 0.62 1.48 95.98 0.19 0.70 0.00 0.44 0.59 43 G C T 44.45 3.95 22.12 26.78 94.01 22.66 84.56 -2.81 99.51 0.24 0.25 0.31 1.74 97.61 0.01 0.16 0.00 0.16 0.02 44 L C C 25.73 17.88 15.40 33.81 119.83 129.45 -78.14 147.96 95.55 4.43 0.02 90.71 4.50 0.11 0.00 0.02 0.00 4.53 0.13 45 T E E 44.64 10.16 24.87 35.78 118.33 -136.88 -105.65 130.38 1.46 98.53 0.00 1.46 0.05 0.00 0.00 0.00 0.00 98.30 0.19 46 I E E 4.64 25.18 18.04 43.91 123.87 -169.25 -119.32 135.91 0.09 99.91 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.90 0.00 47 A E E 17.39 12.43 25.64 39.17 118.17 -148.36 -102.24 131.53 0.11 99.89 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 48 V E E 7.22 22.25 19.05 41.71 120.86 -164.74 -115.47 130.17 0.46 99.54 0.00 0.40 0.02 0.00 0.00 0.00 0.00 99.57 0.01 49 H E E 42.48 12.36 19.04 32.64 115.14 -155.12 -104.74 121.54 7.39 92.55 0.06 5.93 0.94 0.19 0.01 0.04 0.00 92.69 0.21 50 N E E 60.55 9.55 16.70 27.78 101.82 176.15 -108.53 26.71 41.70 57.53 0.78 26.13 10.46 5.93 0.08 0.79 0.00 55.82 0.78 51 G C T 43.71 6.08 15.03 21.94 98.84 -87.09 77.36 -16.16 98.49 0.55 0.96 2.14 32.99 63.26 0.03 1.10 0.00 0.36 0.11 52 R C T 178.91 1.41 15.23 16.40 103.48 32.62 -99.49 -23.43 98.48 0.74 0.78 2.31 37.81 58.37 0.03 0.85 0.00 0.51 0.12 53 Q E E 117.13 2.16 16.87 19.33 127.13 35.64 -126.35 146.58 28.95 70.94 0.11 20.34 8.44 0.79 0.02 0.11 0.00 69.57 0.73 54 H E E 89.39 14.47 11.28 25.41 119.68 -130.83 -100.33 133.66 8.49 91.50 0.01 7.64 0.44 0.03 0.00 0.00 0.00 91.61 0.27 55 V E E 52.71 8.87 18.37 28.83 121.08 -169.26 -123.32 127.42 2.84 97.16 0.00 2.52 0.10 0.00 0.00 0.00 0.00 97.35 0.03 56 P E E 74.57 8.56 19.46 28.70 114.68 -119.10 -69.44 140.10 1.87 98.13 0.00 1.73 0.03 0.00 0.00 0.00 0.00 98.22 0.01 57 V E E 17.15 20.49 15.04 35.45 127.54 -173.95 -128.40 140.43 0.74 99.26 0.00 0.71 0.01 0.00 0.00 0.00 0.00 99.26 0.02 58 F E E 100.68 6.77 25.01 32.25 115.89 -134.86 -95.54 130.35 1.44 98.56 0.00 1.39 0.03 0.00 0.00 0.00 0.00 98.48 0.10 59 V E E 8.34 24.62 12.41 37.50 115.02 -143.49 -95.40 126.59 27.01 72.97 0.02 26.78 0.38 0.02 0.01 0.01 0.00 72.21 0.60 60 T C C 48.64 5.54 22.32 28.05 133.02 171.77 -127.28 170.56 95.15 4.72 0.13 93.15 2.29 0.12 0.05 0.05 0.00 4.00 0.33 61 D H G 99.97 7.08 14.85 23.48 90.75 -98.11 -60.33 -31.66 17.10 0.13 82.77 0.96 1.90 13.80 6.27 76.96 0.00 0.08 0.02 62 E H G 146.38 1.45 19.01 19.85 90.69 60.73 -69.63 -21.38 16.67 0.09 83.24 0.57 1.16 14.71 6.30 77.18 0.00 0.06 0.02 63 M H G 30.98 17.61 13.13 30.91 96.21 48.18 -97.51 -7.06 16.21 0.30 83.49 1.74 1.81 12.48 6.77 76.93 0.00 0.21 0.07 64 V C T 45.10 16.70 13.34 30.09 112.49 113.04 -65.37 133.89 81.41 4.60 13.99 4.48 5.30 71.56 8.65 5.03 0.13 2.38 2.46 65 G C T 40.20 6.57 19.89 27.44 95.46 21.35 82.96 -3.65 88.65 0.99 10.36 4.48 6.40 77.88 5.25 4.88 0.02 0.64 0.45 66 H C C 78.99 10.55 17.14 28.22 104.07 121.02 -74.68 -32.70 63.19 4.11 32.70 33.24 13.89 16.88 17.78 13.94 0.07 2.00 2.21 67 K C T 103.30 9.12 20.64 29.61 96.40 -85.90 -70.24 -26.77 46.41 8.33 45.27 10.93 10.92 24.47 23.25 19.89 1.73 4.60 4.20 68 L H T 40.56 18.94 15.28 33.20 95.68 42.73 -71.98 -22.92 47.41 4.26 48.34 6.77 9.53 29.42 21.47 26.95 1.03 2.47 2.36 69 G C G 30.30 11.20 17.83 29.05 96.86 54.58 -56.17 -19.89 51.84 3.61 44.55 12.90 11.17 28.38 14.38 29.31 0.18 2.05 1.63 70 E C T 103.28 6.83 18.92 26.47 94.30 72.39 -74.55 -18.91 59.67 4.72 35.61 17.78 13.87 29.04 9.99 24.40 0.11 2.89 1.92 71 F C C 83.16 12.57 14.79 27.55 100.47 48.40 -99.41 2.81 63.83 10.71 25.46 27.02 16.79 21.97 7.81 15.73 0.19 5.56 4.94 72 A C C 41.81 12.20 13.07 25.99 118.20 105.74 -91.43 139.04 90.43 7.41 2.16 57.68 30.91 2.22 1.08 1.06 0.00 4.52 2.53 73 P C C 81.08 6.51 13.74 21.63 112.43 -108.20 -68.86 146.03 88.25 7.92 3.83 74.13 9.02 4.86 1.34 2.47 0.00 5.47 2.70 74 T C C 94.00 5.40 11.27 18.36 111.08 -138.85 -95.50 107.21 84.88 11.00 4.12 65.73 12.39 6.13 1.36 2.89 0.00 6.90 4.59 75 R C C 150.05 4.34 10.57 16.75 119.83 -124.65 -108.58 137.37 82.90 13.32 3.78 57.22 20.08 5.51 1.32 2.57 0.00 9.01 4.28 76 T C C 102.55 2.69 9.95 14.59 116.71 -148.06 -101.66 132.17 82.30 14.11 3.59 60.50 16.48 5.19 1.22 2.45 0.00 10.57 3.60 77 Y C C 152.56 4.82 7.67 14.32 115.24 -148.04 -96.77 130.43 81.85 14.15 4.00 63.60 12.13 5.68 1.42 2.68 0.00 9.87 4.62 78 R C C 182.16 1.45 8.80 11.65 110.61 -157.25 -97.88 112.22 84.96 9.90 5.14 50.71 18.66 16.08 1.33 3.81 0.00 6.82 2.59 79 G C C 57.71 1.89 8.94 12.33 113.87 -50.28 101.35 158.84 86.04 9.15 4.81 43.04 23.84 20.06 0.91 3.91 0.00 6.12 2.11 80 H C C 148.00 2.45 7.37 11.69 111.32 -100.76 -95.36 122.28 88.22 8.22 3.56 78.48 3.38 6.48 0.95 2.16 0.00 5.54 3.00 81 A C C 83.05 2.95 10.37 15.05 112.66 -146.17 -94.54 131.39 99.78 0.20 0.02 99.65 0.14 0.07 0.01 0.00 0.00 0.12 0.02