# 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 T C C 71.78 6.81 13.55 21.58 118.42 -163.17 -96.90 143.50 99.82 0.13 0.05 99.69 0.14 0.06 0.02 0.00 0.00 0.06 0.02 1 R C C 146.87 4.36 11.48 17.28 106.95 -132.79 -80.08 99.26 73.25 4.04 22.70 66.71 1.86 5.54 17.92 3.92 0.00 2.09 1.97 2 A C C 66.28 4.94 10.41 16.95 101.38 62.15 -73.48 -25.30 59.87 2.88 37.25 37.87 10.28 11.94 24.42 12.71 0.02 1.65 1.13 3 S C C 67.35 4.65 11.07 17.24 99.94 61.44 -76.36 -20.01 55.39 3.03 41.57 34.00 9.96 11.39 25.54 16.22 0.02 1.78 1.07 4 L C C 102.37 4.90 11.36 17.76 100.70 67.07 -80.31 -6.91 53.99 3.72 42.29 33.16 11.07 10.21 27.62 14.47 0.04 2.14 1.29 5 R C C 141.55 4.76 12.36 18.56 104.54 73.53 -83.52 35.10 63.90 3.98 32.13 43.10 11.75 9.33 24.16 7.93 0.02 2.20 1.50 6 K C C 117.82 6.27 11.83 19.53 111.05 85.58 -87.07 119.71 75.59 4.62 19.79 54.75 12.13 8.24 15.51 4.88 0.01 2.51 1.96 7 R C C 140.25 5.40 12.55 19.52 114.06 -129.36 -90.70 127.77 82.90 5.22 11.89 61.61 12.60 8.33 8.26 3.88 0.00 2.87 2.43 8 T C C 83.23 6.73 11.71 19.79 113.58 -128.61 -92.41 130.03 85.70 4.75 9.55 50.92 16.45 18.83 4.41 4.63 0.01 2.59 2.16 9 G C C 46.02 5.66 13.67 20.39 111.62 18.00 51.75 -29.65 90.96 2.84 6.20 37.57 29.39 24.64 1.59 4.21 0.00 1.45 1.15 10 R C C 140.91 5.82 13.38 20.53 109.55 -50.55 -88.90 117.24 89.94 3.71 6.35 38.42 37.69 14.32 1.74 4.25 0.00 1.87 1.70 11 K C C 104.10 8.63 13.20 22.74 113.00 -124.36 -86.72 127.37 83.18 4.49 12.33 41.96 32.57 9.49 3.19 8.49 0.01 2.45 1.85 12 P C C 85.18 7.21 15.30 23.43 98.72 -125.78 -70.56 -17.87 78.13 4.53 17.33 42.32 17.85 18.28 3.03 14.37 0.00 3.12 1.02 13 D C C 81.78 8.16 17.19 25.80 98.26 62.36 -86.53 1.42 66.51 14.91 18.58 35.98 16.45 15.13 3.06 15.03 0.02 12.80 1.53 14 A E E 28.86 16.54 14.94 31.22 119.06 90.42 -99.33 134.13 46.25 47.42 6.33 35.79 8.24 3.47 2.25 3.91 0.01 44.22 2.10 15 V E E 35.43 14.74 18.71 33.91 120.90 -153.64 -109.93 133.03 22.18 76.87 0.95 19.47 2.40 0.71 0.44 0.48 0.00 75.46 1.03 16 S E E 46.11 14.79 18.59 32.77 128.72 -166.66 -121.73 143.01 10.21 89.57 0.22 9.18 0.84 0.19 0.08 0.10 0.00 89.27 0.35 17 M E E 46.57 14.90 18.47 33.73 129.81 -172.99 -132.71 141.73 4.97 94.94 0.09 4.51 0.35 0.07 0.03 0.03 0.00 94.85 0.16 18 E E E 97.65 10.19 20.43 31.21 120.98 -153.42 -111.17 131.57 3.88 96.06 0.07 3.62 0.19 0.03 0.02 0.02 0.00 95.97 0.13 19 A E E 13.92 18.76 17.17 36.07 130.69 -177.12 -132.56 146.26 4.43 95.50 0.07 4.17 0.18 0.03 0.03 0.02 0.00 95.46 0.10 20 T E E 57.27 10.99 23.06 34.26 121.28 -151.31 -114.07 132.93 5.22 94.71 0.06 4.82 0.28 0.04 0.03 0.02 0.00 94.63 0.18 21 I E E 9.67 22.88 17.05 40.43 118.58 -164.08 -114.98 125.07 8.31 91.57 0.11 7.70 0.53 0.08 0.06 0.04 0.00 91.23 0.35 22 H E E 77.91 8.18 25.19 34.04 107.60 -141.00 -88.93 109.65 20.74 79.06 0.20 20.33 0.55 0.10 0.11 0.07 0.00 77.81 1.02 23 L C C 5.79 24.68 16.69 42.11 97.04 174.34 -92.38 -8.34 58.93 4.09 36.98 49.89 3.94 5.13 27.61 9.38 0.00 3.27 0.77 24 S H H 28.53 16.70 16.93 33.50 92.07 87.69 -60.25 -37.41 18.31 0.54 81.16 4.41 2.76 9.86 55.52 26.88 0.08 0.33 0.17 25 K H H 132.19 2.66 21.98 24.43 91.75 54.97 -68.06 -28.38 12.20 0.31 87.49 1.78 1.50 7.50 60.68 28.20 0.06 0.20 0.08 26 L H H 50.05 12.99 17.25 30.61 94.40 52.95 -78.68 -25.51 13.25 0.28 86.47 1.89 1.67 8.36 63.29 24.46 0.07 0.18 0.08 27 L H H 18.07 20.95 12.68 33.14 99.76 48.80 -95.25 -4.78 36.52 1.59 61.90 7.21 6.85 22.58 47.25 13.73 0.61 0.77 1.01 28 K C T 110.10 8.39 15.52 24.86 107.79 113.98 -67.41 118.46 82.86 0.99 16.15 6.43 6.20 68.85 13.40 3.82 0.04 0.42 0.83 29 K C T 172.10 1.10 17.13 17.39 94.69 -8.16 62.89 18.00 92.74 0.26 7.00 7.00 10.18 75.87 3.93 2.71 0.00 0.13 0.17 30 K C S 70.16 10.85 10.63 22.66 125.95 114.77 -105.05 153.26 98.30 0.94 0.75 37.18 59.92 1.27 0.44 0.21 0.00 0.28 0.71 31 T C C 71.60 2.82 19.67 21.83 117.38 -103.74 -71.57 154.97 97.80 1.83 0.37 95.05 2.33 0.39 0.22 0.09 0.00 0.48 1.45 32 F H H 70.48 17.43 12.15 28.98 91.84 -111.27 -58.14 -38.79 9.70 0.06 90.24 1.27 1.72 6.71 80.81 9.36 0.06 0.02 0.04 33 S H H 68.29 6.45 17.79 25.29 91.79 55.80 -64.86 -35.11 7.60 0.03 92.38 0.36 0.51 6.36 79.20 13.52 0.03 0.01 0.01 34 K H H 126.93 2.93 21.03 23.71 94.51 44.98 -77.73 -27.03 7.12 0.04 92.85 0.45 0.50 5.82 78.07 15.11 0.02 0.02 0.01 35 R H H 43.61 17.01 16.87 33.48 95.25 48.53 -81.53 -22.94 9.30 0.06 90.64 1.41 1.12 6.76 85.92 4.71 0.03 0.03 0.03 36 A H H 7.96 22.24 16.82 38.94 91.97 71.46 -59.75 -45.09 1.26 0.00 98.74 0.25 0.10 0.71 98.41 0.53 0.00 0.00 0.00 37 P H H 61.30 6.68 24.65 31.66 91.56 50.33 -63.60 -40.62 0.42 0.00 99.58 0.05 0.02 0.28 99.22 0.43 0.00 0.00 0.00 38 L H H 62.60 6.30 25.79 32.75 91.57 49.79 -64.86 -41.64 0.08 0.00 99.92 0.01 0.00 0.05 99.79 0.15 0.00 0.00 0.00 39 A H H 2.25 23.86 20.20 44.39 91.36 50.60 -63.26 -43.69 0.06 0.00 99.94 0.01 0.00 0.04 99.94 0.02 0.00 0.00 0.00 40 I H H 14.28 21.46 22.20 42.78 91.37 50.42 -62.63 -42.97 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 41 K H H 112.54 4.05 26.92 31.17 91.45 50.63 -63.64 -42.04 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 42 R H H 84.62 10.74 25.17 35.80 91.82 48.97 -64.89 -41.89 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.00 0.00 0.00 0.00 43 I H H 1.32 27.42 20.05 48.09 91.16 49.82 -63.54 -43.84 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.00 0.00 0.00 0.00 44 K H H 66.00 16.63 23.41 38.35 91.30 51.12 -61.94 -42.51 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.00 0.00 0.00 0.00 45 A H H 53.60 3.71 26.62 30.07 91.43 50.16 -63.62 -42.67 0.19 0.00 99.81 0.00 0.00 0.14 99.83 0.01 0.00 0.00 0.00 46 F H H 27.38 14.62 22.72 37.72 91.91 48.48 -64.60 -43.02 0.26 0.00 99.74 0.02 0.01 0.18 99.76 0.04 0.00 0.00 0.00 47 V H H 3.15 24.55 17.74 42.71 91.63 49.72 -63.85 -43.23 0.27 0.00 99.73 0.02 0.01 0.18 99.73 0.05 0.00 0.00 0.00 48 G H H 21.08 10.78 19.44 31.14 91.97 51.18 -63.44 -41.53 0.66 0.00 99.34 0.04 0.03 0.49 99.31 0.12 0.00 0.00 0.00 49 R H H 151.37 2.21 22.34 24.02 92.32 47.37 -65.97 -40.97 1.69 0.00 98.31 0.05 0.06 1.53 98.09 0.26 0.00 0.00 0.00 50 L H H 51.58 14.35 17.81 31.87 94.34 43.75 -71.94 -38.16 5.24 0.01 94.75 0.11 0.27 4.84 94.47 0.29 0.01 0.00 0.00 51 M H H 30.40 18.06 14.56 32.69 97.64 33.47 -98.01 -5.12 30.61 0.25 69.13 2.77 6.39 21.24 68.51 0.73 0.08 0.06 0.22 52 K C T 161.81 1.64 20.15 21.48 93.66 -127.16 58.12 38.70 99.40 0.20 0.39 36.41 7.52 55.59 0.13 0.18 0.00 0.10 0.08 53 T C C 28.60 15.03 11.37 26.98 129.66 132.32 -126.47 153.44 97.85 1.70 0.45 86.22 10.48 0.99 0.14 0.29 0.00 0.68 1.19 54 K C S 160.17 2.06 19.24 21.63 94.50 -143.68 -80.69 -15.14 98.31 1.18 0.50 12.73 69.85 15.85 0.06 0.46 0.00 0.81 0.25 55 D C S 77.55 7.47 20.52 28.56 102.52 58.04 -99.62 33.67 87.83 11.66 0.52 30.05 38.44 19.51 0.05 0.60 0.00 10.80 0.55 56 N E E 14.58 23.78 12.64 35.90 121.75 132.20 -103.03 138.68 46.11 53.62 0.27 42.27 3.29 0.35 0.08 0.20 0.00 51.75 2.06 57 R E E 102.27 7.99 26.87 35.55 127.35 -170.19 -126.99 142.58 20.22 79.63 0.14 19.68 0.70 0.09 0.07 0.06 0.00 76.42 2.97 58 I E E 21.21 23.66 15.76 39.24 116.93 -141.47 -97.18 130.84 29.40 70.47 0.13 29.02 0.78 0.07 0.09 0.05 0.00 65.89 4.10 59 D C C 41.60 12.34 19.36 32.45 108.14 -130.05 -83.68 118.56 94.41 5.21 0.38 93.89 0.80 0.11 0.24 0.06 0.00 4.61 0.29 60 A H H 61.35 8.13 17.76 27.04 92.82 -150.80 -63.25 -32.34 12.57 0.08 87.35 2.05 1.46 8.94 84.00 3.44 0.02 0.05 0.04 61 S H H 67.57 2.92 22.08 24.56 91.62 56.56 -64.55 -39.14 7.41 0.06 92.53 1.00 0.73 5.63 89.16 3.39 0.03 0.03 0.02 62 L H H 11.12 19.93 16.92 37.08 91.98 50.41 -65.04 -42.45 1.97 0.03 98.00 0.46 0.25 1.20 95.54 2.51 0.01 0.01 0.01 63 N H H 23.09 20.04 17.33 36.81 91.75 52.73 -62.72 -42.09 1.28 0.02 98.70 0.33 0.14 0.74 97.85 0.93 0.00 0.01 0.00 64 T H H 72.45 3.55 23.20 26.12 91.86 50.24 -64.47 -41.48 1.11 0.01 98.88 0.15 0.08 0.79 98.37 0.59 0.00 0.00 0.00 65 Y H H 83.54 7.16 21.50 29.35 92.05 49.56 -64.92 -42.46 1.27 0.01 98.72 0.12 0.10 1.01 98.06 0.70 0.00 0.00 0.00 66 I H H 5.39 23.54 14.79 38.55 92.11 49.00 -64.58 -43.04 2.56 0.03 97.41 0.28 0.25 1.98 96.23 1.23 0.02 0.01 0.01 67 W H H 86.97 14.18 16.79 30.72 92.32 49.32 -65.13 -39.54 5.93 0.06 94.02 0.68 0.49 4.66 90.56 3.52 0.03 0.03 0.02 68 H H H 141.85 1.74 19.68 20.80 92.11 52.31 -67.70 -32.03 15.61 0.09 84.31 0.87 1.17 13.72 80.98 3.08 0.09 0.04 0.05 69 K H H 107.86 6.09 16.71 23.72 96.42 42.78 -93.25 -9.56 48.43 0.37 51.20 2.14 5.66 39.95 48.25 3.35 0.19 0.14 0.31 70 G C T 21.23 8.27 18.69 28.36 123.83 -113.67 93.19 168.25 83.22 0.83 15.95 16.46 10.47 56.18 11.02 4.97 0.01 0.38 0.51 71 V C T 27.53 21.49 12.60 33.05 95.33 -69.19 -67.36 -26.41 62.62 3.93 33.45 23.64 14.16 26.68 7.73 23.52 0.13 1.71 2.44 72 K C T 145.81 3.29 20.32 24.52 93.50 68.06 -66.86 -19.66 70.11 1.65 28.24 6.33 12.35 50.83 4.12 24.33 0.05 0.92 1.07 73 G C T 40.64 6.56 20.34 27.43 97.53 47.14 -92.79 -1.58 77.53 1.35 21.12 15.25 16.07 45.33 1.88 20.09 0.00 0.73 0.65 74 V C C 12.80 23.86 11.98 35.38 114.29 115.29 -86.38 130.89 96.36 2.91 0.73 73.89 21.93 0.71 0.31 0.43 0.00 1.35 1.38 75 P C C 50.14 10.44 22.13 33.01 102.93 -124.53 -70.48 68.47 95.32 3.18 1.50 73.43 17.01 4.70 0.24 1.56 0.00 2.47 0.60 76 G C S 20.37 14.57 21.25 35.11 119.28 -12.54 -114.10 -10.38 68.68 28.52 2.81 24.52 39.06 5.88 0.28 2.43 0.01 26.42 1.40 77 R E E 90.61 12.23 23.75 35.74 128.66 -56.75 -124.88 143.62 28.09 69.84 2.07 24.04 3.07 1.04 0.41 1.50 0.00 69.17 0.76 78 V E E 4.85 25.32 17.51 43.45 124.74 -157.95 -120.55 134.95 7.04 92.82 0.15 6.50 0.49 0.09 0.04 0.09 0.00 92.56 0.22 79 R E E 78.39 10.86 26.96 38.32 117.66 -150.50 -102.72 128.51 1.82 98.16 0.02 1.68 0.08 0.01 0.01 0.01 0.00 98.16 0.05 80 V E E 4.06 25.68 18.20 44.51 122.57 -168.14 -119.53 132.17 0.77 99.22 0.01 0.76 0.02 0.00 0.00 0.00 0.00 99.19 0.02 81 L E E 39.96 11.02 26.73 38.61 118.65 -159.07 -107.93 128.95 1.05 98.94 0.01 1.03 0.04 0.00 0.00 0.00 0.00 98.90 0.02 82 I E E 8.87 24.22 17.72 42.18 120.08 -161.89 -109.90 130.38 3.15 96.83 0.03 2.99 0.12 0.02 0.01 0.01 0.00 96.79 0.06 83 Q E E 57.55 10.31 23.75 34.33 127.39 -173.29 -122.71 146.41 5.10 94.80 0.11 4.62 0.37 0.08 0.04 0.05 0.00 94.57 0.28 84 R E E 82.87 15.39 16.34 31.30 118.94 -132.52 -99.47 134.85 14.47 85.27 0.26 13.04 1.28 0.23 0.11 0.13 0.00 84.45 0.76 85 K E E 87.19 9.68 15.36 26.03 116.34 -135.09 -89.82 137.27 44.93 53.81 1.26 39.34 4.00 1.12 0.56 0.72 0.00 52.70 1.56 86 S C C 62.53 7.15 13.51 21.94 115.43 -133.26 -89.51 138.43 64.57 30.53 4.89 42.19 17.57 6.14 1.75 3.08 0.02 26.57 2.68 87 E C C 106.06 6.76 11.48 19.68 113.04 -150.82 -98.51 117.83 76.14 17.49 6.38 50.53 18.39 7.92 2.32 4.00 0.02 13.72 3.10 88 T C C 85.12 4.68 10.76 17.13 112.73 -161.40 -95.91 127.54 81.37 9.75 8.88 50.23 19.35 12.33 3.26 5.47 0.02 6.82 2.52 89 T C C 85.39 4.45 8.68 14.92 112.21 -159.44 -92.95 123.60 83.37 7.08 9.54 47.70 20.09 16.07 3.32 5.91 0.02 3.84 3.06 90 E C T 151.71 1.64 9.22 12.10 106.44 -115.25 -75.57 103.11 89.63 2.09 8.28 17.75 19.71 52.48 2.37 5.47 0.01 1.16 1.05 91 G C T 62.57 1.08 10.26 11.64 101.17 6.20 80.19 2.20 93.37 1.25 5.39 18.32 21.94 53.34 1.12 4.03 0.00 0.70 0.55 92 N C C 84.74 5.85 7.21 14.71 115.12 118.86 -89.72 137.05 88.41 4.71 6.87 56.38 21.62 10.22 1.90 5.07 0.00 2.44 2.35 93 K C C 162.60 1.47 11.54 13.64 100.17 -146.75 -80.20 -5.26 88.68 4.24 7.08 48.73 22.25 17.86 1.83 5.32 0.00 2.71 1.30 94 H C C 113.12 5.34 11.22 18.21 114.75 75.81 -97.60 127.29 87.65 6.15 6.19 54.19 21.07 12.56 1.75 4.56 0.00 4.46 1.40 95 K C C 96.07 9.23 12.72 23.04 114.42 -144.03 -86.79 134.49 83.71 12.49 3.80 67.41 10.50 5.44 1.08 2.79 0.00 11.30 1.47 96 H C C 89.00 9.89 16.27 26.86 116.92 -150.00 -99.89 130.14 60.41 36.17 3.41 46.68 9.73 3.69 1.16 2.27 0.00 34.47 1.99 97 F E E 62.31 14.56 16.00 30.65 115.54 -157.01 -102.84 127.18 37.07 60.11 2.82 26.59 9.19 2.73 1.08 1.66 0.01 57.52 1.21 98 Y E E 68.06 13.72 18.18 32.24 125.90 -165.58 -122.48 140.70 19.10 78.90 2.00 14.25 4.19 1.52 0.82 1.04 0.00 77.52 0.66 99 T E E 32.71 15.93 18.48 34.55 124.45 -162.09 -119.58 137.01 10.92 87.78 1.30 8.57 1.77 0.77 0.62 0.59 0.00 87.36 0.32 100 V E E 46.90 12.66 21.21 34.34 118.65 -152.89 -108.17 128.31 5.07 94.70 0.24 4.34 0.57 0.13 0.13 0.08 0.00 94.49 0.27 101 I E E 35.77 18.70 16.96 35.48 119.38 -163.71 -108.27 129.51 4.98 94.90 0.12 4.35 0.42 0.07 0.05 0.04 0.00 94.90 0.18 102 S E E 42.44 10.33 21.07 31.76 126.67 -169.39 -117.01 148.04 5.55 94.36 0.08 4.70 0.55 0.09 0.02 0.03 0.00 94.43 0.18 103 N E E 73.64 13.34 18.26 31.15 116.53 -128.06 -95.32 129.61 9.78 90.11 0.11 8.19 1.44 0.17 0.03 0.05 0.00 89.63 0.48 104 V E E 33.70 15.79 15.76 32.06 120.02 -163.82 -113.26 127.92 22.77 77.18 0.06 20.94 1.55 0.10 0.02 0.03 0.00 76.62 0.74 105 P E E 81.89 5.44 21.41 27.28 110.85 -119.62 -70.67 131.05 38.28 61.52 0.20 34.17 3.11 0.35 0.06 0.15 0.00 60.87 1.29 106 V C C 34.32 18.94 9.98 27.92 119.92 -157.38 -109.71 135.99 73.93 19.81 6.26 63.71 6.49 3.20 1.85 4.55 0.00 15.90 4.30 107 A C S 83.55 2.41 17.99 20.64 97.90 -160.57 -83.94 -27.60 82.07 6.95 10.98 29.34 32.06 22.08 1.70 8.66 0.03 4.31 1.82 108 S C C 61.39 4.52 19.02 24.43 132.81 6.88 -146.06 146.38 83.10 5.38 11.52 31.83 27.41 24.75 1.54 9.65 0.01 3.09 1.71 109 F C C 51.48 20.02 9.61 28.19 102.96 -161.10 -101.36 15.88 80.73 4.83 14.44 61.97 8.92 8.78 2.06 13.64 0.00 3.00 1.63 110 K C T 143.70 2.91 16.79 21.23 111.19 134.79 -72.35 129.88 87.30 4.85 7.85 9.00 11.18 66.41 1.08 7.18 0.01 3.18 1.96 111 G C T 51.74 3.30 17.84 21.68 95.77 17.42 82.88 -0.70 88.93 4.91 6.16 10.21 12.84 65.41 0.60 6.02 0.00 4.08 0.83 112 L C C 38.67 19.96 9.19 27.72 115.63 135.45 -82.88 134.68 77.49 21.30 1.21 70.17 5.46 1.15 0.24 0.99 0.00 20.14 1.85 113 T E E 80.72 4.09 20.72 25.43 125.02 -170.50 -120.24 144.78 42.55 57.11 0.35 39.35 2.16 0.45 0.13 0.23 0.00 55.39 2.30 114 T E E 62.95 16.12 11.68 26.93 122.10 -142.05 -106.79 137.92 33.50 66.24 0.26 29.79 2.88 0.45 0.07 0.18 0.00 65.71 0.93 115 K E E 113.89 4.75 17.42 23.61 125.25 -171.36 -124.13 141.18 23.10 76.65 0.25 20.59 2.28 0.40 0.08 0.16 0.00 75.40 1.09 116 T E E 83.68 7.44 12.61 21.70 115.55 -132.15 -90.25 130.11 25.88 73.90 0.22 23.76 1.63 0.31 0.08 0.13 0.00 72.55 1.53 117 V C C 61.95 9.55 9.60 20.64 118.51 -163.13 -109.80 132.21 60.37 39.48 0.15 59.59 0.62 0.18 0.06 0.06 0.00 38.32 1.19 118 E C C 149.11 1.82 14.81 17.38 110.98 -128.10 -82.78 125.38 99.04 0.95 0.01 99.02 0.12 0.03 0.00 0.00 0.00 0.81 0.02