# 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 111.17 6.38 12.37 20.15 116.56 -167.46 -96.88 133.75 99.89 0.08 0.03 99.79 0.10 0.05 0.01 0.00 0.00 0.04 0.01 1 A C C 70.01 4.91 11.55 18.03 113.67 -142.80 -88.03 141.57 85.69 4.10 10.21 78.93 1.50 6.94 4.62 3.81 0.00 2.61 1.59 2 G C C 40.54 6.26 11.80 19.29 111.50 -120.20 -80.09 128.10 73.46 7.15 19.38 42.10 17.41 15.25 6.83 11.66 0.02 4.56 2.16 3 L C C 88.82 9.81 10.60 20.84 101.33 -25.96 -77.42 -8.41 55.44 9.75 34.81 34.69 11.95 10.77 9.00 24.59 0.03 7.13 1.84 4 K C C 142.92 3.16 14.67 18.89 98.44 79.27 -77.56 -16.76 55.52 10.25 34.23 30.63 14.08 12.90 8.91 23.90 0.06 7.85 1.68 5 D C C 90.96 5.31 14.91 21.26 101.02 56.37 -87.67 12.48 56.80 13.25 29.95 32.08 14.02 12.86 6.48 21.86 0.07 11.07 1.55 6 V C C 52.93 14.52 11.92 26.42 117.52 114.26 -96.22 130.86 58.86 34.11 7.03 45.08 10.26 3.36 3.12 3.58 0.01 32.65 1.95 7 V E E 55.67 10.24 17.27 28.58 117.31 -155.11 -102.81 130.74 34.57 64.27 1.16 30.34 3.02 0.75 0.59 0.52 0.00 63.57 1.21 8 T E E 66.70 12.77 15.85 28.73 125.18 -163.27 -118.97 139.37 18.50 81.21 0.29 16.94 1.16 0.24 0.12 0.13 0.00 80.95 0.47 9 R E E 83.86 11.71 17.17 29.67 127.97 -173.76 -129.69 141.14 8.05 91.82 0.13 7.46 0.51 0.09 0.05 0.05 0.00 91.53 0.31 10 E E E 104.35 9.08 17.85 28.15 120.94 -152.03 -110.10 133.58 5.92 94.00 0.09 5.58 0.29 0.05 0.03 0.02 0.00 93.83 0.20 11 Y E E 45.92 15.90 16.33 32.69 130.73 -176.52 -132.12 147.67 6.38 93.53 0.08 6.00 0.30 0.05 0.03 0.02 0.00 93.46 0.13 12 T E E 64.94 9.83 20.96 31.41 121.56 -150.70 -114.44 131.61 7.05 92.89 0.07 6.49 0.40 0.05 0.03 0.02 0.00 92.81 0.19 13 I E E 14.23 21.25 15.81 37.46 119.36 -164.41 -115.84 125.60 9.85 90.06 0.10 9.16 0.61 0.08 0.05 0.04 0.00 89.65 0.42 14 N E E 61.98 7.39 23.69 31.96 107.11 -137.61 -87.60 107.24 23.21 76.64 0.15 22.86 0.48 0.08 0.08 0.05 0.00 75.48 0.97 15 L H H 8.54 23.67 15.58 39.92 96.38 172.36 -85.30 -15.20 46.98 2.32 50.70 36.47 4.70 6.43 41.29 8.86 0.01 1.69 0.54 16 H H H 64.74 15.25 16.04 31.15 92.11 82.07 -61.53 -35.89 14.89 0.30 84.81 2.81 2.15 9.26 66.46 18.92 0.10 0.19 0.11 17 K H H 138.31 2.14 20.40 22.21 92.23 54.47 -68.10 -32.21 10.29 0.22 89.49 1.52 1.27 6.74 70.06 20.14 0.06 0.15 0.06 18 R H H 98.00 10.43 17.00 27.84 94.96 50.48 -78.30 -26.15 10.65 0.21 89.14 1.63 1.38 7.02 72.19 17.52 0.06 0.14 0.06 19 L H H 21.76 20.30 11.93 31.65 99.11 45.22 -94.97 -10.49 28.01 0.97 71.02 4.46 4.79 19.27 58.90 10.87 0.62 0.50 0.58 20 H C T 114.67 7.73 14.72 23.67 108.31 98.79 -68.85 115.55 69.57 0.77 29.67 4.11 5.60 57.62 26.83 4.80 0.10 0.34 0.59 21 G C T 63.59 0.98 16.72 16.54 95.58 6.67 82.82 1.23 90.94 0.21 8.86 9.57 8.97 72.44 6.64 2.13 0.00 0.10 0.14 22 V C C 47.88 11.38 9.61 22.15 121.79 125.99 -94.08 147.68 97.96 1.17 0.87 53.31 43.28 1.25 0.60 0.20 0.00 0.30 1.06 23 S C C 57.29 2.64 19.58 21.43 117.74 -106.55 -71.08 156.48 98.70 1.00 0.30 97.15 1.35 0.26 0.19 0.05 0.00 0.25 0.75 24 F H H 77.28 16.45 11.71 27.76 91.56 -111.60 -58.21 -38.43 6.43 0.03 93.54 0.75 1.00 4.67 86.94 6.60 0.02 0.01 0.02 25 K H H 133.95 4.43 17.54 23.00 91.74 54.73 -64.62 -36.43 4.80 0.01 95.19 0.23 0.32 4.16 85.83 9.43 0.01 0.01 0.00 26 K H H 128.08 2.71 20.31 22.75 94.22 44.12 -77.50 -30.30 4.79 0.02 95.19 0.28 0.33 4.07 84.30 10.98 0.01 0.01 0.01 27 R H H 44.67 16.40 16.11 32.36 95.58 47.10 -83.13 -23.99 8.42 0.04 91.54 0.96 0.92 6.53 87.90 3.64 0.02 0.02 0.02 28 A H H 10.26 21.34 16.24 37.50 92.01 74.54 -59.26 -44.97 1.90 0.01 98.10 0.33 0.15 1.20 97.35 0.96 0.00 0.00 0.00 29 P H H 64.47 6.20 24.40 30.73 91.63 50.34 -63.67 -40.79 0.71 0.00 99.29 0.08 0.04 0.51 98.58 0.79 0.00 0.00 0.00 30 R H H 103.69 5.57 26.19 32.09 91.66 49.55 -65.14 -41.19 0.13 0.00 99.87 0.01 0.01 0.08 99.56 0.33 0.00 0.00 0.00 31 A H H 2.65 23.57 19.99 43.79 91.37 50.58 -63.21 -43.72 0.09 0.00 99.91 0.01 0.00 0.05 99.88 0.06 0.00 0.00 0.00 32 V H H 15.00 20.51 22.33 42.10 91.23 50.43 -62.66 -42.96 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 33 K H H 109.10 3.61 27.36 30.77 91.51 50.34 -63.50 -42.08 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 34 E H H 48.09 11.38 24.26 36.03 91.72 49.26 -64.60 -42.34 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.00 0.00 0.00 0.00 35 I H H 1.55 27.17 19.69 47.44 91.24 49.78 -63.55 -43.77 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 67.78 15.59 22.96 37.22 91.34 51.05 -62.19 -42.54 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 37 K H H 112.56 2.63 26.78 28.50 91.30 49.67 -63.47 -42.58 0.10 0.00 99.90 0.00 0.00 0.08 99.91 0.01 0.00 0.00 0.00 38 F H H 27.83 13.96 21.82 36.49 91.84 48.46 -64.30 -43.08 0.16 0.00 99.84 0.01 0.01 0.12 99.85 0.02 0.00 0.00 0.00 39 A H H 2.60 23.99 15.39 39.98 91.56 50.47 -63.30 -43.09 0.22 0.00 99.78 0.01 0.01 0.15 99.78 0.04 0.00 0.00 0.00 40 K H H 100.00 8.52 19.48 28.52 92.03 49.35 -64.55 -41.25 0.29 0.00 99.71 0.01 0.01 0.24 99.69 0.05 0.00 0.00 0.00 41 L H H 112.66 2.40 20.95 22.94 93.02 45.42 -68.01 -40.55 1.01 0.00 98.98 0.02 0.03 0.99 98.86 0.09 0.00 0.00 0.00 42 H H H 75.34 12.22 17.69 29.84 99.17 35.41 -83.49 -37.93 5.72 0.01 94.27 0.06 0.23 5.75 93.74 0.21 0.01 0.00 0.00 43 M H H 37.00 16.89 14.49 31.36 100.44 25.91 -102.34 -12.48 16.78 0.12 83.10 0.91 3.58 12.37 82.59 0.35 0.07 0.03 0.09 44 G C C 51.29 2.56 21.03 23.37 95.82 -121.66 76.06 16.57 99.40 0.36 0.24 71.48 17.06 10.87 0.07 0.17 0.00 0.17 0.18 45 T C C 30.13 14.98 11.00 26.45 126.74 133.23 -116.60 148.45 97.09 2.35 0.56 86.67 9.07 1.13 0.13 0.48 0.00 1.01 1.51 46 D C S 120.60 2.02 18.82 21.38 96.30 -159.33 -88.83 -9.80 97.84 1.57 0.59 10.50 70.76 16.64 0.05 0.66 0.00 1.08 0.30 47 D C S 85.01 5.90 20.40 27.01 99.53 63.29 -97.26 25.15 87.50 11.88 0.62 32.54 34.71 20.31 0.05 0.81 0.00 11.05 0.54 48 V E E 11.38 24.11 11.41 35.15 118.52 124.34 -98.80 133.21 48.60 51.30 0.10 46.03 2.32 0.15 0.03 0.08 0.00 49.69 1.71 49 R E E 114.95 6.23 26.35 33.31 124.06 -166.68 -121.28 137.77 21.12 78.82 0.06 21.19 0.45 0.04 0.02 0.03 0.00 75.35 2.91 50 L E E 21.61 23.49 14.37 37.48 116.49 -141.87 -93.53 132.62 27.23 72.72 0.05 27.56 0.54 0.03 0.04 0.02 0.00 64.94 6.87 51 A C C 25.81 11.96 17.64 30.97 111.71 -113.94 -69.98 136.95 99.13 0.82 0.05 98.99 0.35 0.02 0.03 0.00 0.00 0.53 0.07 52 P H H 85.29 5.31 17.72 24.22 91.77 -123.64 -59.34 -35.59 6.13 0.02 93.86 0.72 0.56 4.57 92.14 1.99 0.00 0.01 0.01 53 E H H 117.79 2.76 20.79 23.34 91.54 54.16 -64.73 -38.74 2.31 0.01 97.68 0.23 0.18 1.78 96.02 1.78 0.01 0.00 0.00 54 L H H 12.58 20.16 16.10 36.33 92.20 49.88 -65.52 -41.84 0.55 0.00 99.44 0.09 0.05 0.34 98.26 1.25 0.00 0.00 0.00 55 N H H 30.98 18.22 17.64 35.37 91.58 52.15 -62.55 -42.42 0.42 0.00 99.57 0.06 0.03 0.26 99.27 0.37 0.00 0.00 0.00 56 Q H H 97.33 3.05 23.55 25.64 91.72 50.11 -64.22 -41.36 0.47 0.00 99.53 0.04 0.02 0.36 99.35 0.23 0.00 0.00 0.00 57 A H H 27.15 7.60 20.28 29.50 91.55 50.21 -64.11 -41.92 0.75 0.00 99.25 0.05 0.04 0.62 98.96 0.33 0.00 0.00 0.00 58 I H H 6.32 23.00 14.55 37.72 91.77 49.63 -64.02 -42.87 1.82 0.01 98.18 0.14 0.15 1.44 97.32 0.94 0.01 0.00 0.00 59 W H H 98.64 12.47 16.96 29.51 92.06 49.80 -64.67 -38.87 3.85 0.02 96.13 0.36 0.27 3.02 92.74 3.58 0.01 0.01 0.01 60 K H H 151.89 1.35 19.47 19.83 91.77 52.48 -67.19 -33.39 13.97 0.04 85.99 0.56 0.76 12.68 82.76 3.15 0.04 0.02 0.03 61 R H H 122.50 6.01 16.19 23.13 96.63 43.91 -92.07 -9.71 45.36 0.25 54.39 1.72 4.49 38.44 51.46 3.46 0.13 0.09 0.21 62 G C T 23.70 7.66 18.15 27.21 123.56 -113.51 91.50 166.81 87.13 1.00 11.86 20.66 9.44 57.31 7.82 3.75 0.01 0.48 0.53 63 V C C 31.62 20.58 11.96 31.35 96.83 -68.68 -70.00 -20.97 64.10 5.46 30.44 36.04 10.95 17.60 7.90 21.76 0.10 2.54 3.12 64 K C T 145.29 3.50 18.94 23.32 96.40 74.96 -67.88 -12.44 69.04 2.68 28.27 8.38 11.75 48.09 4.87 23.78 0.09 1.55 1.50 65 G C T 44.84 5.32 19.24 25.10 97.50 44.49 -88.81 -3.81 74.91 1.73 23.36 12.25 14.28 47.58 2.84 21.24 0.02 1.01 0.79 66 V C C 20.67 22.03 10.37 31.37 116.06 112.30 -88.41 132.38 90.32 6.24 3.44 73.17 14.74 2.25 1.63 1.90 0.00 3.30 3.02 67 E C C 93.97 7.33 21.22 28.87 103.49 -144.09 -76.85 65.52 89.27 8.39 2.35 72.16 13.69 3.29 0.80 1.62 0.00 6.70 1.73 68 Y C C 77.03 14.76 17.80 32.05 116.44 52.60 -110.12 150.44 71.47 25.81 2.72 34.19 33.78 4.10 0.63 1.91 0.01 23.75 1.64 69 R E E 100.62 10.50 22.22 32.80 126.57 -106.59 -122.06 140.01 33.99 64.04 1.97 29.41 3.33 1.27 0.59 1.17 0.00 63.35 0.88 70 L E E 9.97 24.01 16.35 40.46 125.17 -163.93 -120.15 136.95 11.44 88.13 0.43 10.40 0.90 0.24 0.15 0.22 0.00 87.70 0.38 71 R E E 88.82 9.46 25.70 35.52 118.93 -152.97 -107.65 129.32 3.97 95.90 0.13 3.66 0.23 0.06 0.05 0.05 0.00 95.84 0.11 72 L E E 8.40 24.59 16.84 41.59 124.62 -169.62 -119.30 135.53 2.22 97.74 0.04 2.13 0.10 0.02 0.01 0.01 0.00 97.65 0.06 73 R E E 86.88 9.10 25.85 35.29 120.64 -161.02 -113.71 130.23 2.54 97.43 0.03 2.40 0.12 0.02 0.01 0.01 0.00 97.37 0.07 74 I E E 13.81 23.11 16.55 39.71 120.49 -160.54 -109.94 130.69 7.72 92.14 0.13 7.23 0.42 0.09 0.04 0.05 0.00 91.95 0.22 75 S E E 32.12 9.88 22.36 32.99 129.37 -172.83 -123.83 149.77 15.29 84.31 0.40 13.68 1.43 0.34 0.16 0.19 0.00 83.62 0.58 76 R E E 89.08 14.18 15.87 29.96 120.43 -139.57 -106.99 136.65 28.42 70.83 0.75 24.65 3.29 0.72 0.32 0.41 0.00 69.28 1.33 77 K C C 92.80 8.93 14.80 24.87 116.24 -133.70 -89.58 137.18 52.41 46.29 1.30 46.47 3.96 1.17 0.58 0.75 0.00 44.71 2.37 78 R C C 136.09 5.93 12.96 20.47 113.10 -133.65 -88.02 131.22 70.63 25.82 3.55 54.14 11.96 4.29 1.54 2.14 0.01 22.01 3.89 79 N C C 78.81 7.09 10.05 18.66 114.90 -152.78 -99.92 124.56 85.19 9.80 5.01 63.99 14.28 6.78 2.00 2.98 0.00 7.19 2.77 80 E C C 139.47 2.66 10.96 15.08 100.58 -151.35 -83.50 -3.89 85.14 3.46 11.40 32.71 31.43 22.03 3.61 6.93 0.02 1.90 1.37 81 E C S 122.49 3.30 9.34 14.29 109.27 90.50 -86.32 115.87 83.75 2.74 13.51 28.21 28.55 27.68 3.54 9.19 0.02 1.27 1.54 82 E C T 135.89 2.76 9.79 14.00 102.51 -106.66 -78.04 -3.51 86.60 1.25 12.15 12.67 20.37 53.64 2.59 9.28 0.01 0.65 0.78 83 D C T 113.12 2.37 11.53 14.93 100.90 13.98 -70.70 28.84 91.87 1.34 6.78 21.41 19.42 51.16 1.39 5.30 0.00 0.73 0.59 84 A C C 47.01 9.48 7.47 17.82 115.78 147.05 -86.47 141.74 90.23 4.77 5.01 64.12 18.49 6.96 1.37 3.87 0.00 2.31 2.89 85 K C S 152.32 2.03 13.04 15.93 102.18 -141.80 -80.54 -11.02 94.38 3.31 2.31 40.54 46.27 7.93 0.48 1.76 0.00 1.90 1.12 86 N C S 98.88 4.69 13.54 19.56 115.01 7.84 -104.60 119.71 93.99 4.60 1.41 32.93 57.41 4.11 0.24 1.11 0.00 3.17 1.03 87 P C C 62.93 10.93 13.15 24.85 112.51 -137.43 -74.91 139.16 86.88 10.75 2.37 73.02 9.79 3.86 0.42 2.21 0.00 8.96 1.73 88 L C S 69.76 11.33 15.64 27.38 102.56 -155.53 -88.34 -14.11 69.95 28.02 2.03 30.32 34.74 6.16 0.29 1.66 0.00 25.05 1.78 89 F E E 75.67 12.26 16.31 29.05 128.52 30.78 -130.10 143.96 26.93 71.25 1.82 19.89 6.83 2.30 0.49 1.36 0.00 66.96 2.17 90 S E E 36.31 13.89 16.83 31.01 126.26 -168.73 -126.78 146.07 20.08 78.94 0.98 14.70 5.18 1.22 0.26 0.61 0.00 77.37 0.67 91 Y E E 98.74 10.40 19.92 30.84 124.56 -151.91 -117.24 138.53 11.03 88.57 0.40 8.98 1.83 0.41 0.12 0.21 0.00 87.82 0.63 92 V E E 33.92 18.33 14.27 32.72 122.44 -161.68 -116.02 133.27 10.57 89.26 0.16 9.76 0.65 0.10 0.06 0.06 0.00 88.78 0.59 93 E E E 105.54 5.60 21.61 27.92 121.68 -156.16 -108.94 137.17 13.81 85.99 0.19 12.49 0.92 0.14 0.07 0.08 0.00 85.98 0.33 94 P E E 60.06 14.60 14.60 29.10 114.41 -109.29 -70.67 139.96 16.30 83.30 0.40 14.36 1.52 0.29 0.13 0.19 0.00 82.84 0.67 95 V E E 47.64 12.39 15.47 28.95 121.60 -159.35 -115.44 133.22 23.10 76.51 0.39 21.63 1.39 0.22 0.21 0.17 0.00 74.93 1.44 96 L E E 113.67 4.28 18.92 24.12 111.88 -126.77 -83.02 126.44 33.52 66.17 0.31 30.51 2.49 0.33 0.13 0.18 0.00 64.62 1.74 97 V C C 36.25 16.61 8.98 25.19 122.12 -172.89 -116.92 139.17 69.49 28.11 2.39 63.03 4.35 1.30 1.04 1.44 0.00 25.56 3.29 98 A C S 89.17 1.62 16.81 18.20 96.23 -150.78 -77.09 -29.17 87.09 8.65 4.25 33.59 36.83 17.68 0.83 3.26 0.01 6.47 1.34 99 S C S 64.25 3.81 17.74 22.37 129.45 10.40 -143.30 142.73 89.02 5.89 5.08 30.99 36.93 21.98 0.94 3.92 0.01 3.65 1.59 100 A C C 37.46 17.78 9.39 26.03 100.47 -155.81 -90.62 6.20 83.90 4.63 11.47 60.00 12.08 10.61 1.68 11.15 0.00 2.83 1.65 101 K C T 145.64 2.72 15.98 20.17 110.90 125.66 -71.32 130.46 84.18 5.83 9.99 13.32 14.72 55.72 1.32 9.10 0.02 3.84 1.96 102 G C T 50.56 3.69 17.09 21.40 96.85 18.36 84.04 -1.22 85.49 6.78 7.72 17.89 15.41 52.25 0.82 7.21 0.01 5.31 1.11 103 L C C 45.16 18.03 9.55 26.63 115.08 132.15 -84.76 133.22 78.87 19.17 1.96 71.73 5.36 1.48 0.50 1.41 0.00 17.51 2.01 104 Q C C 111.21 4.28 19.29 24.62 123.58 -168.40 -117.60 140.21 53.72 45.38 0.90 49.61 2.96 0.77 0.40 0.49 0.00 43.40 2.37 105 T E E 64.33 14.61 12.07 26.36 122.16 -147.51 -108.10 137.61 45.55 53.58 0.87 41.23 3.18 0.67 0.36 0.43 0.00 52.97 1.16 106 V E E 76.44 6.43 16.40 24.28 123.19 -167.95 -120.05 137.74 37.18 61.73 1.09 34.02 2.39 0.62 0.58 0.45 0.00 60.60 1.35 107 V E E 81.82 8.47 13.34 23.13 115.89 -138.17 -94.67 129.55 37.91 60.35 1.74 34.92 2.03 0.71 1.09 0.66 0.00 58.76 1.83 108 V C C 66.34 8.80 10.77 21.12 116.29 -161.36 -102.19 134.23 59.03 34.40 6.57 50.81 5.00 2.24 4.12 2.38 0.01 33.63 1.81 109 E C C 130.65 3.43 11.46 16.47 110.78 -140.77 -89.11 126.03 66.52 18.16 15.32 48.00 11.73 6.91 6.96 7.80 0.03 16.97 1.61 110 E C C 127.89 4.26 9.55 15.48 109.59 -141.08 -86.94 112.82 71.47 8.84 19.69 39.40 17.11 16.42 6.92 11.66 0.05 6.96 1.47 111 D C C 110.98 2.67 9.60 13.98 108.09 -136.00 -87.56 96.35 80.63 4.19 15.18 63.72 3.27 15.44 5.58 7.68 0.00 3.25 1.06 112 A C C 71.05 5.34 10.22 17.12 107.21 145.32 -86.71 87.29 99.65 0.14 0.20 99.24 0.23 0.29 0.10 0.03 0.00 0.09 0.02