# 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 98.79 9.43 15.29 25.29 116.64 -163.22 -98.64 132.39 99.53 0.46 0.01 99.49 0.17 0.03 0.00 0.00 0.00 0.22 0.08 1 A C C 51.35 9.53 13.26 23.90 118.51 -127.76 -89.93 141.77 93.27 6.27 0.46 91.73 1.33 0.65 0.20 0.15 0.00 4.49 1.44 2 P C C 73.75 7.74 15.56 24.33 113.11 -104.82 -68.72 147.94 87.00 10.94 2.06 70.65 10.46 5.58 0.64 1.39 0.00 9.24 2.05 3 L C C 74.91 12.66 14.27 26.99 111.19 -127.00 -87.85 122.84 70.35 26.74 2.91 48.84 16.79 4.85 1.25 1.88 0.02 19.09 7.28 4 Y C C 88.32 12.38 15.62 28.42 118.83 -138.73 -101.79 130.82 66.10 30.83 3.07 46.76 17.29 2.74 1.69 1.48 0.02 25.76 4.27 5 P C C 58.69 11.19 17.50 29.07 111.39 -114.24 -71.10 141.20 67.20 27.07 5.73 53.85 8.67 3.82 3.69 2.26 0.01 24.54 3.17 6 V C C 61.84 12.66 16.77 29.54 115.18 -151.41 -97.50 129.36 62.45 26.21 11.34 50.80 6.76 3.40 9.39 3.00 0.03 21.24 5.37 7 L C C 54.36 14.59 14.92 29.39 111.56 -134.41 -84.26 130.68 59.42 17.25 23.33 44.48 7.58 6.12 18.62 5.71 0.05 14.79 2.65 8 S C C 56.95 7.65 17.81 25.98 112.44 -144.95 -89.11 139.91 57.48 11.02 31.49 34.22 12.02 11.28 24.40 7.35 0.10 8.78 1.83 9 Q C H 95.64 9.89 16.37 26.38 100.39 -109.20 -76.29 -19.67 47.29 10.09 42.61 26.07 10.94 11.33 33.84 7.98 0.17 7.95 1.72 10 A H H 42.80 10.64 15.04 26.41 99.19 75.48 -72.80 -26.19 38.85 10.78 50.36 25.30 7.52 6.95 41.81 7.53 0.07 9.47 1.35 11 S H H 49.38 7.13 17.55 25.65 97.03 67.36 -71.82 -26.01 30.37 16.96 52.67 20.17 4.78 5.99 44.19 7.08 0.08 16.19 1.53 12 L H H 39.42 14.01 14.90 29.35 96.01 66.52 -72.03 -32.03 23.13 19.75 57.11 13.83 4.30 6.07 47.25 7.91 0.15 18.90 1.59 13 Y H H 76.95 13.38 14.47 27.88 96.62 60.96 -71.83 -32.14 25.88 19.06 55.06 14.44 5.00 7.72 44.83 8.24 0.26 17.56 1.95 14 K H H 120.53 5.33 16.44 22.75 97.15 59.40 -73.22 -22.03 36.12 10.54 53.34 16.49 7.07 13.98 43.61 7.82 0.33 9.01 1.68 15 R C H 123.06 6.70 15.33 22.97 97.60 57.32 -85.60 -0.52 55.24 4.52 40.24 13.65 12.02 30.06 31.62 7.83 0.36 3.04 1.41 16 H C T 108.86 8.16 16.66 25.42 99.38 -113.72 -14.02 32.68 66.07 6.62 27.32 17.03 13.58 35.84 19.31 7.64 0.23 4.78 1.58 17 F C T 62.11 13.97 15.83 29.86 103.52 124.20 -87.57 -14.97 60.96 17.88 21.16 23.40 15.13 23.72 12.28 8.29 0.33 14.05 2.79 18 F C C 40.02 18.70 13.93 31.81 118.66 45.15 -111.94 128.26 51.14 29.48 19.38 29.34 10.58 12.93 9.34 9.59 0.16 24.93 3.12 19 K C T 115.17 6.51 19.03 26.31 116.26 -164.89 -102.95 143.57 57.35 28.56 14.09 14.18 13.21 31.54 6.20 7.08 0.27 25.56 1.96 20 N C E 95.25 5.79 20.15 26.38 98.48 13.02 40.53 38.70 55.16 33.81 11.03 14.55 11.49 30.32 3.78 6.36 0.14 32.09 1.28 21 I E E 20.87 21.87 12.76 34.12 117.76 156.38 -96.46 130.42 35.88 60.52 3.60 30.04 4.21 1.37 2.32 1.34 0.02 58.90 1.80 22 K E E 93.70 8.33 23.94 32.36 114.98 -161.95 -104.53 123.79 27.73 69.05 3.22 22.79 3.13 1.42 1.93 1.19 0.01 68.32 1.22 23 L E E 28.11 20.51 17.78 37.38 120.59 -154.59 -103.30 132.55 22.71 73.06 4.23 15.91 5.50 2.20 2.02 1.86 0.02 71.72 0.78 24 F E E 53.33 14.34 21.85 35.99 113.37 -172.03 -107.35 132.24 18.60 78.00 3.40 10.79 6.27 2.00 1.60 1.44 0.03 77.39 0.47 25 H E E 45.16 15.76 22.50 37.75 125.82 -11.38 -125.21 136.24 10.48 87.02 2.49 6.83 2.59 1.22 1.05 1.06 0.01 86.97 0.26 26 V E E 14.30 20.63 21.92 42.11 121.59 -161.67 -116.09 129.30 5.36 93.37 1.27 4.31 0.61 0.32 0.69 0.42 0.00 93.44 0.20 27 V E E 18.13 18.11 23.86 41.85 120.18 -164.74 -114.38 128.14 4.25 94.85 0.90 3.42 0.43 0.24 0.45 0.29 0.00 95.01 0.15 28 F E E 27.78 18.87 22.34 40.69 121.58 -166.28 -112.82 131.51 5.49 93.68 0.83 4.10 0.85 0.43 0.32 0.34 0.00 93.78 0.18 29 Y E E 56.10 15.43 21.01 36.29 118.06 -159.79 -106.81 126.87 13.51 85.80 0.69 9.95 2.59 1.13 0.24 0.38 0.00 85.26 0.45 30 V E E 48.52 14.39 18.71 32.93 115.10 -168.67 -109.09 117.25 42.12 56.99 0.89 17.64 13.40 13.00 0.16 0.72 0.00 54.03 1.04 31 G C S 39.81 7.82 20.29 28.11 102.61 -32.14 85.71 -10.23 89.81 9.59 0.59 11.24 45.17 33.13 0.04 0.61 0.00 9.22 0.58 32 A C S 38.73 11.76 17.47 30.05 124.21 63.98 -109.83 144.70 89.75 9.78 0.47 13.07 62.78 13.66 0.03 0.48 0.00 9.18 0.80 33 P C C 55.25 11.47 20.45 31.94 112.73 -98.92 -70.37 144.29 73.21 26.36 0.43 38.73 26.76 7.30 0.05 0.44 0.00 25.82 0.91 34 C E E 30.58 18.04 17.12 34.65 120.47 -152.11 -109.96 135.11 25.48 74.36 0.16 21.27 3.48 0.55 0.05 0.12 0.00 73.26 1.27 35 V E E 36.18 14.23 19.71 34.46 122.99 -164.70 -115.84 136.80 7.73 92.18 0.09 6.36 1.24 0.20 0.03 0.05 0.00 91.43 0.68 36 T E E 52.94 12.15 18.87 31.31 120.12 -151.78 -109.51 131.84 8.98 90.88 0.14 7.33 1.44 0.31 0.04 0.08 0.00 90.10 0.69 37 F E E 74.10 13.55 14.79 28.41 114.85 -168.45 -114.57 113.46 35.19 63.78 1.03 15.46 10.12 11.99 0.19 0.85 0.01 60.13 1.25 38 G C T 46.54 4.51 17.03 22.36 109.33 -41.51 70.52 -121.92 94.65 4.18 1.17 8.66 25.00 60.93 0.11 1.10 0.00 3.78 0.42 39 T C T 100.04 3.66 16.73 21.02 103.59 -13.54 -97.45 7.54 90.82 7.72 1.46 10.97 27.86 52.26 0.14 1.31 0.00 6.78 0.68 40 A E E 43.62 12.43 13.55 26.41 119.37 101.64 -98.94 139.99 34.36 64.90 0.74 24.76 9.36 2.37 0.28 0.57 0.00 59.60 3.05 41 A E E 52.79 9.48 18.00 28.13 121.01 -157.34 -108.44 140.35 22.67 76.64 0.68 18.90 3.24 1.07 0.30 0.42 0.00 73.58 2.49 42 W E E 75.41 16.24 13.69 29.64 120.00 -158.69 -107.41 134.28 31.09 67.72 1.19 25.17 4.30 1.78 0.50 0.76 0.00 64.77 2.71 43 S C C 63.86 6.58 17.32 25.03 121.27 -171.20 -115.17 143.16 57.86 40.09 2.05 37.30 13.81 7.65 0.56 1.55 0.01 37.06 2.06 44 G C S 38.81 8.00 14.97 23.78 120.88 65.52 121.28 -174.23 82.19 13.39 4.42 25.70 35.53 22.02 0.84 3.32 0.01 10.75 1.84 45 S C S 76.49 4.65 15.54 21.22 105.39 -63.58 -87.08 27.62 82.77 9.21 8.01 29.99 30.97 23.16 2.10 5.35 0.03 6.16 2.23 46 N C C 76.92 9.77 13.53 23.96 107.09 95.99 -94.45 81.50 78.46 11.39 10.16 41.98 21.93 15.56 3.92 5.87 0.03 7.62 3.09 47 R C C 127.27 8.39 15.45 24.54 102.67 151.48 -83.68 0.81 68.29 12.62 19.09 33.39 16.57 19.49 10.46 7.89 0.12 9.02 3.06 48 N C C 86.64 7.76 17.66 25.86 102.86 66.24 -89.08 26.84 66.94 12.46 20.60 31.71 17.17 19.50 12.09 7.71 0.12 9.34 2.35 49 S C C 41.13 13.39 16.29 29.60 110.01 112.02 -93.93 97.72 57.46 18.25 24.29 32.82 14.62 10.83 15.92 7.91 0.12 15.51 2.26 50 R C E 95.24 13.27 19.17 31.66 111.76 69.68 -94.68 115.92 41.86 32.84 25.30 24.47 11.00 8.02 18.29 6.43 0.18 29.36 2.25 51 E E E 71.31 13.04 21.64 34.14 114.61 63.44 -96.78 130.84 29.30 49.06 21.63 18.32 6.55 5.43 16.94 4.80 0.09 46.19 1.67 52 A E E 18.03 18.73 20.63 38.44 118.82 -153.40 -108.32 136.85 20.70 62.89 16.41 13.67 3.92 3.13 13.81 3.13 0.02 61.37 0.96 53 I E E 24.63 19.88 22.87 41.72 117.75 -148.32 -108.07 130.19 11.09 78.21 10.69 8.07 1.37 1.09 10.57 1.27 0.01 77.05 0.58 54 F E E 35.63 19.28 23.76 41.69 120.42 -164.71 -110.95 131.94 7.51 84.19 8.30 5.29 0.81 0.67 8.74 0.77 0.00 83.33 0.38 55 M E E 32.10 18.57 23.41 41.02 119.93 -162.92 -111.44 131.10 7.90 83.54 8.56 5.47 0.90 0.73 9.14 0.82 0.01 82.56 0.38 56 V E E 26.27 16.57 22.75 39.08 116.27 -154.85 -104.80 124.36 10.90 79.26 9.84 7.95 1.25 0.97 10.53 1.05 0.01 77.52 0.72 57 I E E 26.04 18.15 17.91 35.99 112.73 -159.76 -95.83 124.23 25.18 61.36 13.46 18.55 3.58 2.39 12.70 2.06 0.04 59.22 1.46 58 E C C 78.76 10.36 18.26 28.93 109.08 -155.50 -84.29 112.95 46.80 31.81 21.39 31.34 9.00 6.18 17.68 4.14 0.10 29.60 1.96 59 E C H 110.01 6.47 16.62 23.79 101.67 -7.99 -73.51 -19.67 50.75 6.14 43.12 13.43 11.92 26.02 30.37 11.48 0.64 4.57 1.56 60 R C H 138.67 5.59 16.37 22.78 98.09 44.94 -76.80 -22.21 51.01 2.72 46.27 8.99 10.98 30.79 32.76 12.97 0.62 1.76 1.13 61 H C T 81.41 10.23 14.79 25.70 102.04 46.79 -94.86 1.91 53.98 6.31 39.71 12.99 14.71 27.37 26.92 10.94 0.86 3.74 2.47 62 G C C 19.23 10.00 16.86 28.09 116.99 -132.44 85.54 162.52 66.87 4.29 28.84 42.46 8.29 15.44 25.44 4.25 0.02 2.65 1.44 63 W H H 90.88 13.85 14.55 28.25 94.53 -66.68 -64.89 -36.20 16.53 1.09 82.37 7.75 3.44 7.13 71.56 8.92 0.10 0.77 0.32 64 D H H 96.45 2.38 19.87 21.86 93.00 55.28 -65.99 -37.70 11.58 0.78 87.64 3.32 1.86 6.92 76.64 10.32 0.10 0.67 0.18 65 N H H 58.38 8.70 17.40 27.16 94.31 51.40 -69.42 -34.86 9.56 0.67 89.77 3.06 1.51 5.42 78.81 10.41 0.06 0.58 0.14 66 F H H 27.22 19.76 13.01 32.16 93.42 56.49 -66.47 -39.27 7.99 0.67 91.33 3.04 1.40 4.25 82.69 7.87 0.04 0.57 0.13 67 K H H 117.29 5.45 18.57 24.98 93.24 54.73 -65.33 -36.69 13.22 1.07 85.72 3.56 1.78 8.15 76.39 8.93 0.10 0.88 0.22 68 K H H 131.30 2.58 19.02 21.51 94.37 53.25 -71.67 -28.89 21.93 1.02 77.05 4.42 2.73 14.80 69.03 7.79 0.17 0.76 0.30 69 L H H 45.95 15.04 12.81 27.71 98.87 60.93 -77.09 -23.68 33.37 2.41 64.22 13.92 6.56 14.81 56.55 5.73 0.13 1.46 0.84 70 S C H 52.22 9.81 14.56 24.90 104.84 76.89 -78.15 7.06 53.82 4.45 41.73 29.26 8.54 16.76 37.07 4.23 0.05 2.64 1.46 71 S C H 74.92 4.19 14.91 20.07 102.18 67.56 -84.36 4.46 62.39 4.48 33.13 26.65 14.19 21.68 28.19 5.14 0.08 2.75 1.33 72 H C C 101.29 7.65 12.41 21.22 107.61 86.64 -87.38 84.37 63.74 3.76 32.49 34.69 15.36 13.60 28.07 4.86 0.04 2.19 1.18 73 Q H H 110.98 5.20 14.55 20.96 100.67 79.90 -72.92 -26.54 47.94 3.13 48.93 29.47 9.14 10.23 43.34 4.99 0.03 1.96 0.84 74 Q H H 105.91 6.28 15.74 22.94 97.44 59.76 -71.19 -28.88 35.99 4.02 59.98 17.07 7.12 13.17 53.10 5.51 0.10 3.09 0.85 75 G H H 27.61 9.71 15.83 26.29 97.20 52.30 -64.67 -35.93 32.69 6.63 60.68 17.82 5.90 10.20 54.70 4.70 0.07 5.72 0.90 76 V H H 60.50 8.85 17.05 26.77 97.89 61.29 -73.07 -36.34 20.89 10.66 68.45 14.40 3.23 4.25 64.42 3.05 0.03 9.69 0.92 77 I H H 69.98 9.29 18.91 28.53 96.35 56.79 -70.97 -39.40 16.80 12.59 70.60 11.45 2.34 3.43 68.12 2.24 0.03 11.53 0.86 78 M H H 62.50 12.59 18.51 30.85 96.27 52.83 -69.47 -37.65 14.96 6.18 78.86 10.98 1.85 2.76 76.33 1.75 0.01 5.82 0.51 79 Q H H 81.03 9.33 19.66 29.08 94.01 56.99 -66.12 -41.91 6.43 1.03 92.54 4.41 1.11 1.74 90.90 0.89 0.01 0.80 0.13 80 E H H 97.84 4.66 22.56 27.21 92.74 49.62 -65.47 -41.35 3.16 0.28 96.55 1.74 0.62 1.35 95.42 0.61 0.01 0.20 0.05 81 A H H 28.52 10.00 19.68 30.86 92.35 50.26 -64.74 -41.67 2.09 0.13 97.78 0.97 0.41 1.02 97.01 0.47 0.01 0.08 0.02 82 A H H 23.47 13.94 18.49 33.04 92.22 50.94 -63.93 -42.07 1.63 0.10 98.27 0.71 0.33 0.83 97.72 0.33 0.01 0.06 0.02 83 Q H H 86.34 6.30 22.35 28.95 91.91 50.33 -64.35 -41.68 1.52 0.09 98.39 0.55 0.27 0.86 97.94 0.29 0.01 0.06 0.02 84 E H H 94.24 4.90 22.77 27.78 92.24 49.37 -65.60 -41.26 1.43 0.07 98.50 0.44 0.22 0.86 98.13 0.27 0.01 0.05 0.02 85 S H H 23.89 13.09 18.34 32.16 92.37 50.84 -65.62 -41.64 1.90 0.07 98.02 0.51 0.22 1.26 97.60 0.33 0.01 0.05 0.02 86 L H H 54.02 10.57 19.54 30.64 92.30 50.40 -64.51 -41.76 2.68 0.09 97.23 0.68 0.30 1.87 96.49 0.56 0.02 0.06 0.03 87 L H H 80.80 3.97 20.21 24.34 92.04 50.30 -64.95 -41.41 3.84 0.15 96.01 0.99 0.46 2.65 94.91 0.82 0.04 0.09 0.05 88 A H H 38.69 7.09 16.22 24.98 92.28 51.20 -65.72 -39.68 8.26 0.31 91.42 2.30 1.04 5.34 89.61 1.34 0.07 0.18 0.12 89 R H H 98.24 10.35 14.92 25.79 93.15 52.44 -67.79 -35.32 18.96 0.39 80.65 3.21 2.02 13.85 78.61 1.84 0.10 0.20 0.18 90 N H H 97.20 5.01 14.89 20.89 96.15 52.20 -80.70 -12.37 37.75 0.64 61.61 7.06 4.28 26.20 59.73 2.04 0.08 0.29 0.32 91 K C T 134.85 3.03 13.58 17.68 98.21 62.45 -82.43 -2.35 69.33 1.19 29.48 8.20 9.58 49.59 27.98 3.40 0.06 0.55 0.63 92 G C T 48.11 4.85 13.09 19.31 103.01 -100.67 81.75 5.37 82.71 2.18 15.11 16.64 14.00 52.23 11.11 3.96 0.02 1.29 0.76 93 E C C 115.49 4.86 13.88 20.20 108.97 120.19 -88.69 107.90 78.85 9.91 11.24 52.21 14.38 12.29 5.71 5.54 0.01 7.49 2.37 94 L C C 75.26 11.46 10.78 22.70 111.64 -154.73 -90.40 121.98 71.65 20.01 8.33 48.61 13.48 9.55 3.69 4.68 0.02 15.39 4.57 95 H C C 124.09 4.95 13.93 20.49 115.33 -163.27 -101.52 123.78 72.54 23.23 4.22 54.94 10.18 5.91 1.78 2.64 0.01 16.33 8.20 96 L C C 82.62 9.60 9.79 20.49 117.27 -152.54 -94.26 134.38 94.28 5.64 0.07 92.85 1.58 0.25 0.03 0.03 0.00 4.71 0.55 97 P C C 86.74 4.98 14.44 20.73 111.09 -101.74 -67.11 145.86 99.91 0.08 0.01 99.70 0.17 0.07 0.01 0.00 0.00 0.04 0.01