# 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 110.35 6.51 13.25 21.13 117.87 -166.12 -97.99 134.22 99.83 0.14 0.03 99.73 0.11 0.05 0.02 0.00 0.00 0.06 0.02 1 A C C 64.38 6.21 11.51 19.19 113.54 -141.89 -82.13 144.70 82.38 5.57 12.06 75.36 1.58 7.22 5.52 4.59 0.00 3.91 1.82 2 G C C 40.13 6.33 12.49 20.00 107.96 -120.31 -80.18 -30.49 71.94 8.53 19.53 41.11 17.08 15.18 6.82 11.79 0.02 5.83 2.18 3 L C C 84.04 10.82 10.61 21.60 100.69 45.60 -78.23 -7.51 56.72 10.60 32.68 36.02 12.11 10.49 8.62 22.86 0.03 8.00 1.88 4 K C C 142.97 3.15 15.07 19.24 97.14 81.78 -73.94 -19.26 57.19 10.73 32.07 32.17 14.63 12.46 8.58 22.03 0.06 8.43 1.64 5 D C C 91.08 5.20 15.37 21.56 100.69 57.52 -87.28 12.70 57.77 14.34 27.89 33.10 13.86 12.79 6.10 20.23 0.06 12.34 1.53 6 V C C 49.07 15.42 12.02 27.22 116.87 100.77 -95.39 129.40 56.62 37.26 6.12 44.36 9.16 2.95 2.63 3.10 0.01 35.95 1.84 7 V E E 53.95 10.40 17.68 29.13 117.39 -153.41 -103.51 129.31 32.41 66.64 0.95 28.98 2.48 0.59 0.49 0.42 0.00 65.91 1.14 8 T E E 65.73 13.15 15.94 29.08 125.10 -163.06 -118.34 139.42 16.67 83.09 0.24 15.41 0.99 0.18 0.10 0.10 0.00 82.82 0.41 9 R E E 83.55 11.64 17.43 29.85 128.40 -173.99 -130.40 141.73 7.24 92.64 0.12 6.67 0.47 0.08 0.04 0.04 0.00 92.44 0.26 10 E E E 103.83 9.28 17.89 28.33 121.07 -150.60 -109.48 133.59 5.58 94.34 0.08 5.25 0.27 0.04 0.03 0.02 0.00 94.21 0.17 11 Y E E 44.93 15.98 16.43 32.86 130.72 -176.99 -131.51 147.66 6.04 93.88 0.08 5.66 0.29 0.05 0.03 0.02 0.00 93.84 0.12 12 T E E 65.09 9.95 21.04 31.58 121.76 -151.31 -115.54 131.78 6.22 93.72 0.06 5.77 0.33 0.04 0.02 0.02 0.00 93.65 0.17 13 I E E 14.02 21.30 15.82 37.53 119.40 -164.11 -115.74 125.46 8.38 91.54 0.08 7.81 0.49 0.07 0.04 0.03 0.00 91.20 0.36 14 N E E 62.74 7.38 23.66 31.91 107.10 -137.42 -87.23 107.23 20.10 79.77 0.13 19.76 0.46 0.07 0.07 0.05 0.00 78.68 0.91 15 M C C 9.59 23.62 15.55 39.81 96.52 174.32 -85.60 -12.31 56.74 3.26 40.00 45.94 4.88 6.04 30.26 9.70 0.01 2.47 0.69 16 H H H 65.37 15.37 15.95 31.14 92.01 82.05 -61.31 -34.98 17.71 0.39 81.90 3.19 2.46 10.50 57.61 25.77 0.10 0.24 0.14 17 K H H 139.88 2.12 20.33 22.16 92.12 55.51 -68.50 -30.77 12.90 0.25 86.85 1.61 1.48 8.27 61.29 27.05 0.07 0.16 0.07 18 R H H 100.67 10.28 17.02 27.68 95.61 50.55 -81.24 -22.65 14.09 0.27 85.65 1.88 1.76 9.08 63.18 23.78 0.08 0.17 0.09 19 L H H 20.16 20.54 11.63 31.61 100.16 46.64 -96.90 -5.85 37.44 1.44 61.12 6.25 7.03 24.14 47.00 13.15 0.77 0.67 0.98 20 H C T 118.15 7.09 14.46 23.19 108.91 114.37 -65.69 120.55 81.84 0.84 17.32 3.81 5.06 71.51 14.56 3.92 0.04 0.36 0.74 21 G C T 64.60 0.83 16.77 16.09 95.22 11.50 81.96 0.97 94.44 0.14 5.42 5.37 7.75 81.72 3.05 1.95 0.00 0.07 0.09 22 V C C 46.42 11.79 9.63 22.51 122.13 123.37 -94.72 146.98 98.39 0.89 0.72 51.90 45.31 1.07 0.45 0.20 0.00 0.23 0.85 23 S C C 56.29 2.78 19.76 21.84 118.04 -107.18 -70.84 156.48 98.44 1.29 0.27 96.83 1.36 0.24 0.16 0.04 0.00 0.29 1.07 24 F H H 74.41 16.94 11.84 28.33 91.59 -111.67 -58.24 -38.41 6.29 0.03 93.68 0.69 0.96 4.63 86.56 7.11 0.02 0.01 0.01 25 K H H 133.41 4.59 17.72 23.36 91.71 54.86 -64.70 -36.38 4.71 0.02 95.27 0.23 0.31 4.08 85.23 10.12 0.01 0.01 0.00 26 K H H 128.72 2.71 20.54 22.98 94.28 43.90 -77.69 -29.85 4.62 0.02 95.36 0.28 0.32 3.92 83.89 11.56 0.01 0.01 0.01 27 R H H 44.45 16.63 16.24 32.65 95.60 46.59 -82.69 -24.47 8.57 0.04 91.38 1.02 0.95 6.59 87.47 3.90 0.02 0.02 0.02 28 A H H 9.99 21.57 16.34 37.82 91.99 75.91 -59.11 -44.99 1.82 0.01 98.18 0.33 0.15 1.12 97.57 0.83 0.00 0.00 0.00 29 P H H 64.34 6.27 24.55 30.94 91.63 50.35 -63.70 -40.83 0.67 0.00 99.33 0.08 0.03 0.47 98.71 0.70 0.00 0.00 0.00 30 K H H 88.81 5.84 26.27 32.52 91.63 49.60 -65.14 -41.19 0.13 0.00 99.87 0.01 0.01 0.08 99.60 0.29 0.00 0.00 0.00 31 A H H 2.57 23.77 20.11 44.08 91.37 50.64 -63.21 -43.68 0.09 0.00 99.91 0.01 0.00 0.05 99.89 0.05 0.00 0.00 0.00 32 V H H 14.71 20.52 22.47 42.26 91.23 50.51 -62.72 -42.96 0.07 0.00 99.93 0.01 0.00 0.04 99.93 0.01 0.00 0.00 0.00 33 K H H 108.44 3.66 27.55 31.06 91.54 50.38 -63.46 -42.06 0.05 0.00 99.95 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 34 E H H 45.61 11.73 24.30 36.42 91.70 49.35 -64.56 -42.33 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.00 0.00 0.00 0.00 35 I H H 1.50 27.26 19.87 47.72 91.26 49.85 -63.52 -43.73 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 36 K H H 68.72 15.50 23.17 37.32 91.33 51.04 -62.19 -42.58 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 37 K H H 111.48 2.74 26.90 28.84 91.32 49.68 -63.51 -42.65 0.09 0.00 99.91 0.00 0.00 0.06 99.93 0.00 0.00 0.00 0.00 38 F H H 26.65 14.26 21.89 36.82 91.80 48.45 -64.25 -43.11 0.13 0.00 99.87 0.01 0.01 0.10 99.87 0.02 0.00 0.00 0.00 39 A H H 2.64 23.93 15.57 40.08 91.52 50.41 -63.33 -43.06 0.19 0.00 99.81 0.01 0.01 0.13 99.81 0.03 0.00 0.00 0.00 40 K H H 99.65 8.46 19.61 28.59 92.00 49.42 -64.45 -41.31 0.26 0.00 99.74 0.01 0.01 0.21 99.72 0.04 0.00 0.00 0.00 41 L H H 111.43 2.53 20.95 23.16 92.92 45.65 -67.73 -40.57 0.91 0.00 99.09 0.02 0.03 0.88 98.98 0.09 0.00 0.00 0.00 42 H H H 74.60 12.44 17.66 29.98 98.98 36.21 -82.79 -37.84 5.36 0.01 94.63 0.06 0.21 5.37 94.14 0.20 0.01 0.00 0.00 43 M H H 37.92 16.76 14.51 31.21 100.39 26.42 -102.52 -12.31 16.36 0.11 83.53 0.87 3.28 12.26 83.06 0.35 0.07 0.03 0.08 44 G C C 52.06 2.41 20.88 23.03 95.30 -121.82 75.63 16.57 99.38 0.36 0.25 69.70 17.20 12.48 0.07 0.17 0.00 0.18 0.19 45 T C C 30.60 14.98 10.84 26.26 126.63 134.86 -114.96 145.79 97.46 2.12 0.42 88.68 7.75 0.90 0.11 0.33 0.00 0.91 1.32 46 D C S 121.75 1.86 18.81 21.07 96.41 -160.27 -88.33 -9.73 98.08 1.44 0.48 11.90 69.30 16.93 0.04 0.54 0.00 1.00 0.29 47 D C S 84.05 6.23 20.05 27.01 98.43 63.45 -93.82 16.21 89.17 10.34 0.50 31.61 36.42 21.12 0.04 0.66 0.00 9.64 0.51 48 V E E 11.19 24.23 11.31 35.21 118.49 116.95 -97.81 132.25 49.88 50.00 0.12 47.02 2.57 0.17 0.03 0.09 0.00 48.22 1.89 49 R E E 113.06 6.33 26.36 33.44 125.79 -168.14 -122.43 138.93 22.80 77.13 0.07 22.75 0.51 0.05 0.03 0.03 0.00 73.19 3.44 50 L E E 25.69 23.05 14.61 37.18 116.38 -137.28 -89.91 131.18 31.61 68.33 0.06 31.56 0.75 0.04 0.04 0.02 0.00 61.18 6.41 51 D C C 41.17 11.65 18.26 31.00 108.11 -120.43 -78.63 119.94 99.22 0.72 0.06 98.97 0.43 0.02 0.03 0.00 0.00 0.47 0.07 52 P H H 80.90 6.47 17.24 25.18 92.38 -142.42 -61.99 -32.96 8.07 0.02 91.91 0.92 0.76 6.18 90.05 2.07 0.01 0.01 0.01 53 K H H 128.27 2.23 20.96 22.58 91.65 54.53 -64.56 -39.60 3.47 0.02 96.52 0.33 0.29 2.77 94.56 2.02 0.01 0.01 0.00 54 L H H 13.88 18.54 16.32 35.22 92.16 49.82 -65.25 -42.09 0.84 0.01 99.16 0.15 0.09 0.52 97.73 1.51 0.00 0.00 0.00 55 N H H 25.79 19.01 16.86 35.45 91.69 52.07 -62.60 -42.27 0.62 0.00 99.37 0.11 0.05 0.37 98.98 0.48 0.00 0.00 0.00 56 Q H H 96.55 3.21 22.90 25.38 91.81 50.11 -64.11 -41.37 0.58 0.00 99.41 0.06 0.04 0.44 99.19 0.28 0.00 0.00 0.00 57 E H H 69.80 6.09 21.27 28.09 91.77 49.66 -64.71 -42.23 0.77 0.00 99.23 0.06 0.05 0.62 98.88 0.39 0.00 0.00 0.00 58 I H H 6.53 22.58 14.42 37.25 91.78 49.50 -64.15 -43.01 1.65 0.01 98.34 0.14 0.13 1.30 97.29 1.14 0.01 0.00 0.00 59 W H H 89.42 13.64 16.48 30.03 92.16 49.60 -64.67 -39.03 3.65 0.02 96.33 0.32 0.24 2.96 93.10 3.36 0.01 0.01 0.01 60 K H H 151.08 1.39 19.41 19.85 91.86 52.42 -67.52 -33.04 13.95 0.04 86.00 0.52 0.72 12.88 83.06 2.72 0.04 0.02 0.03 61 R H H 124.93 5.43 16.24 22.63 96.40 45.37 -91.65 -10.09 49.51 0.26 50.23 1.70 4.74 42.17 47.84 3.10 0.13 0.09 0.23 62 G C T 21.79 7.89 18.06 27.47 124.45 -113.64 92.10 168.60 86.60 0.85 12.54 18.75 8.86 59.32 7.98 4.20 0.00 0.41 0.48 63 I C C 36.60 20.72 12.08 31.56 96.22 -83.38 -72.33 -14.91 64.20 4.95 30.85 33.59 11.37 20.03 6.83 22.96 0.10 2.23 2.89 64 K C T 147.35 3.13 19.34 23.34 95.80 80.85 -67.34 -17.03 70.99 2.25 26.76 7.13 11.68 51.11 3.40 24.06 0.05 1.30 1.28 65 G C T 43.93 5.67 19.37 25.62 97.53 43.76 -91.33 -2.89 78.25 1.33 20.43 12.28 14.82 49.51 1.57 20.46 0.00 0.76 0.60 66 V C C 16.27 22.82 10.70 32.75 115.91 113.19 -87.43 132.04 96.49 3.10 0.42 71.77 24.38 0.55 0.19 0.23 0.00 1.38 1.50 67 P C C 56.31 8.82 20.86 30.37 106.49 -122.01 -69.95 122.93 95.98 3.45 0.57 79.09 14.88 2.07 0.13 0.49 0.00 2.60 0.74 68 F C S 72.92 14.58 18.57 32.54 120.88 49.83 -108.75 150.33 73.45 25.34 1.21 32.71 38.38 3.09 0.21 0.97 0.00 23.07 1.56 69 R E E 101.49 10.32 22.32 32.73 126.89 -70.76 -120.32 141.18 34.85 63.96 1.19 30.50 3.26 0.94 0.29 0.79 0.00 63.36 0.85 70 L E E 10.01 24.13 16.24 40.50 125.04 -166.07 -120.11 138.17 11.58 88.16 0.26 10.80 0.79 0.15 0.08 0.14 0.00 87.61 0.42 71 R E E 87.97 9.62 25.82 35.83 118.72 -151.87 -108.33 129.55 4.31 95.59 0.10 4.04 0.23 0.05 0.04 0.04 0.00 95.47 0.13 72 L E E 8.05 24.70 16.96 41.87 124.19 -169.62 -120.76 135.69 2.70 97.25 0.04 2.63 0.12 0.02 0.01 0.01 0.00 97.12 0.08 73 R E E 84.96 9.40 25.96 35.69 120.94 -161.42 -113.23 130.28 3.23 96.73 0.04 3.10 0.14 0.02 0.01 0.01 0.00 96.63 0.09 74 I E E 13.14 23.20 16.92 40.16 120.56 -161.11 -109.73 130.54 8.74 91.10 0.15 8.25 0.45 0.09 0.05 0.06 0.00 90.87 0.23 75 S E E 30.23 10.26 22.51 33.55 129.44 -173.29 -123.93 149.58 14.84 84.76 0.41 13.42 1.33 0.32 0.17 0.18 0.00 83.98 0.61 76 R E E 86.26 14.52 16.00 30.35 120.97 -140.68 -108.84 137.12 26.75 72.58 0.68 23.46 2.92 0.61 0.31 0.37 0.00 70.94 1.40 77 R C C 107.41 8.77 15.16 24.99 115.90 -131.74 -87.53 137.71 52.20 46.65 1.15 46.51 3.83 1.07 0.50 0.67 0.00 45.23 2.20 78 R C C 134.69 6.15 13.06 20.73 113.05 -129.36 -85.79 132.73 70.94 25.41 3.65 55.31 11.23 4.09 1.61 2.17 0.01 21.86 3.73 79 N C C 78.02 7.26 10.07 18.84 114.43 -151.46 -99.34 126.09 85.36 9.28 5.36 65.26 13.32 6.58 2.15 3.19 0.00 6.81 2.69 80 E C C 138.81 2.67 11.02 15.12 100.75 -149.37 -83.73 -2.70 83.96 3.44 12.60 31.90 29.89 23.26 3.89 7.76 0.02 1.88 1.39 81 E C T 122.27 3.36 9.42 14.43 108.45 87.98 -86.38 108.60 82.90 2.72 14.38 28.55 26.54 28.58 3.75 9.77 0.02 1.27 1.52 82 E C T 133.77 2.98 9.70 14.22 102.75 -110.49 -77.50 0.80 86.04 1.32 12.64 13.78 20.58 51.83 2.76 9.55 0.01 0.67 0.82 83 D C T 114.72 2.19 11.52 14.68 101.11 15.48 -78.75 31.97 92.01 1.30 6.68 22.54 19.82 49.80 1.41 5.15 0.00 0.70 0.58 84 A C C 46.88 9.34 7.33 17.58 116.10 146.11 -87.35 142.16 91.51 4.20 4.29 65.00 19.35 6.52 1.22 3.24 0.00 1.96 2.70 85 K C S 156.89 1.70 13.11 15.42 100.98 -135.91 -78.38 -18.02 95.65 2.52 1.83 38.27 49.98 7.70 0.38 1.38 0.00 1.40 0.90 86 N C S 96.39 4.90 13.29 19.55 114.93 18.19 -106.25 112.49 94.76 3.99 1.24 31.01 60.08 4.09 0.21 0.95 0.00 2.70 0.95 87 P C C 63.63 10.65 13.40 24.89 112.70 -136.75 -74.73 139.94 87.68 9.68 2.64 71.62 11.23 4.58 0.47 2.46 0.00 7.89 1.75 88 L C C 67.36 11.94 15.40 27.65 104.21 -150.32 -87.76 -9.24 67.61 29.35 3.04 34.41 27.77 7.09 0.50 2.55 0.01 25.42 2.27 89 F E E 73.46 12.75 16.24 29.35 123.88 28.80 -119.77 140.83 31.62 65.58 2.80 22.85 8.25 3.08 0.77 2.03 0.01 60.76 2.25 90 S E E 38.63 13.63 16.88 30.70 122.16 -171.47 -121.28 141.44 24.51 73.71 1.79 16.62 7.52 1.99 0.45 1.11 0.00 71.60 0.70 91 Y E E 98.33 10.32 19.88 30.62 125.60 -153.27 -119.74 138.68 11.71 87.58 0.71 9.49 2.01 0.57 0.25 0.36 0.00 86.65 0.68 92 V E E 35.88 18.35 14.26 32.56 122.13 -160.96 -115.37 133.30 10.05 89.71 0.24 9.28 0.64 0.12 0.11 0.08 0.00 89.15 0.63 93 E E E 103.76 5.88 21.43 28.02 121.72 -153.70 -109.05 137.38 13.59 86.11 0.30 12.24 0.96 0.17 0.13 0.10 0.00 86.06 0.33 94 P E E 61.48 14.10 14.92 28.99 114.41 -109.10 -70.50 140.45 16.64 82.79 0.57 14.63 1.58 0.32 0.22 0.24 0.00 82.44 0.57 95 V E E 45.70 13.09 15.04 29.12 120.43 -156.41 -112.63 131.36 21.75 77.65 0.60 20.22 1.42 0.24 0.39 0.23 0.00 76.28 1.21 96 V E E 101.72 4.37 18.96 24.22 112.38 -130.55 -86.22 125.70 30.10 69.50 0.40 27.79 2.03 0.31 0.21 0.20 0.00 67.80 1.67 97 V C C 37.40 16.29 9.07 25.06 120.93 -174.11 -117.36 136.76 68.13 28.35 3.52 61.04 4.57 1.61 1.79 1.89 0.01 25.91 3.19 98 A C S 88.78 1.68 16.65 18.15 96.23 -153.99 -76.99 -28.65 85.28 9.00 5.72 34.43 35.99 15.99 1.49 4.00 0.02 6.57 1.50 99 S C S 62.52 3.92 17.33 22.15 130.33 10.54 -142.58 146.24 86.21 6.36 7.43 29.63 36.45 21.22 1.63 5.33 0.02 3.80 1.91 100 A C C 40.85 16.83 9.59 25.47 99.74 -150.66 -87.65 4.69 79.10 4.98 15.92 50.47 14.02 13.88 2.33 14.60 0.00 2.89 1.80 101 K C T 146.87 2.68 15.80 19.94 109.71 122.93 -71.97 126.41 81.29 5.30 13.42 12.64 14.71 53.42 1.70 12.18 0.02 3.38 1.94 102 G C T 50.21 3.85 16.89 21.36 97.28 17.42 84.50 -2.26 83.11 7.07 9.82 17.88 15.83 49.53 0.97 9.20 0.01 5.36 1.22 103 L C C 46.27 17.63 9.70 26.55 115.50 129.26 -85.18 133.44 76.40 21.44 2.15 67.61 6.46 1.79 0.50 1.65 0.00 19.92 2.06 104 H C E 119.94 4.39 19.37 24.70 122.16 -167.35 -115.42 138.56 50.58 48.67 0.75 46.06 3.17 0.77 0.31 0.44 0.00 47.07 2.17 105 T E E 62.12 15.16 12.19 26.93 122.50 -151.93 -108.42 138.14 39.95 59.54 0.51 36.20 2.78 0.51 0.19 0.27 0.00 59.12 0.92 106 V E E 74.08 6.86 17.02 25.23 123.50 -167.09 -120.98 135.83 25.68 73.83 0.49 23.96 1.48 0.35 0.25 0.22 0.00 72.58 1.17 107 V E E 81.64 8.59 14.38 24.24 115.70 -136.75 -92.94 128.95 26.95 72.31 0.74 25.08 1.51 0.43 0.43 0.32 0.00 70.29 1.94 108 V C C 58.09 10.20 11.28 22.87 116.84 -162.73 -104.98 134.52 61.19 36.35 2.45 53.02 5.35 1.43 1.31 1.07 0.00 36.29 1.54 109 D C C 91.22 4.24 12.89 18.44 112.37 -144.14 -92.45 127.22 73.56 18.66 7.79 62.76 6.93 3.23 4.17 3.41 0.01 17.72 1.77 110 E C G 121.09 5.50 10.10 17.12 100.28 -150.62 -74.93 -16.71 52.73 3.58 43.69 25.32 10.82 17.96 11.91 30.71 0.03 2.46 0.80 111 D C G 110.04 2.42 10.43 14.07 101.20 64.48 -81.73 -2.05 53.23 2.56 44.21 22.79 9.88 21.53 11.63 31.74 0.04 1.54 0.84 112 E C C 129.56 3.36 9.32 14.31 102.85 75.95 -85.54 14.76 57.00 2.02 40.99 41.06 4.31 12.82 11.19 28.71 0.00 1.24 0.67 113 A C C 69.64 5.36 10.55 17.45 105.49 82.63 -80.37 62.70 99.39 0.07 0.54 98.75 0.29 0.50 0.34 0.06 0.00 0.04 0.02