# 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 114.37 5.44 12.66 19.72 119.12 -155.56 -100.26 135.86 99.85 0.14 0.02 99.76 0.11 0.04 0.00 0.00 0.00 0.07 0.02 1 S C C 72.58 4.89 10.24 16.89 116.07 -144.91 -92.07 141.61 88.34 7.23 4.43 82.79 1.62 4.60 1.71 1.82 0.00 5.16 2.30 2 Y C C 137.14 6.31 9.13 16.96 114.61 -151.78 -98.33 131.17 80.59 12.12 7.29 50.69 18.75 11.35 2.74 4.49 0.01 7.99 3.97 3 Q C C 117.81 4.00 11.01 16.77 113.53 -153.27 -96.79 123.77 80.80 10.52 8.67 56.71 15.86 8.25 3.63 5.06 0.01 7.45 3.04 4 K C C 124.26 5.41 11.01 18.09 111.35 -132.12 -87.38 127.25 83.09 5.01 11.91 64.93 12.32 5.71 7.04 5.02 0.00 3.40 1.59 5 A C C 63.24 6.36 10.19 17.97 107.25 -133.47 -77.14 126.77 76.58 3.62 19.80 55.12 10.58 10.85 9.97 9.84 0.00 2.31 1.33 6 E C C 127.60 4.10 11.11 16.58 103.57 60.65 -82.38 18.79 73.64 3.91 22.46 49.79 11.94 11.82 10.78 11.72 0.01 2.24 1.70 7 K C C 130.20 4.12 10.75 16.47 105.74 90.64 -86.25 43.42 72.42 3.79 23.78 39.13 17.96 16.22 9.98 13.03 0.02 1.99 1.68 8 D C C 100.73 3.99 11.26 16.76 106.02 32.11 -87.02 68.59 80.40 2.89 16.71 45.93 14.82 20.08 5.86 10.45 0.00 1.54 1.32 9 F C C 113.37 7.78 9.44 18.25 105.70 118.94 -91.64 38.29 84.16 3.15 12.69 33.71 19.49 32.03 3.39 8.25 0.01 1.53 1.59 10 G C T 47.76 3.23 13.13 17.65 113.46 -87.01 81.37 -157.36 91.29 2.14 6.56 31.06 27.92 32.62 1.09 5.34 0.00 1.10 0.88 11 E C C 146.42 2.20 13.50 16.74 109.49 -29.90 -86.69 114.44 91.01 3.95 5.04 54.86 25.36 10.42 0.89 4.54 0.00 1.98 1.94 12 A C C 52.89 9.18 10.41 20.75 120.05 -138.31 -89.66 147.55 96.31 3.37 0.32 65.22 30.66 0.85 0.09 0.22 0.00 1.79 1.18 13 P C C 66.88 7.86 13.70 23.00 114.03 -103.05 -67.05 150.33 96.35 3.14 0.51 85.21 8.28 2.87 0.09 0.45 0.00 2.60 0.50 14 K C C 119.43 7.10 15.75 23.93 111.68 -110.05 -80.19 132.08 72.48 26.68 0.84 54.86 13.82 3.18 0.15 0.87 0.00 25.03 2.10 15 V E E 58.74 12.40 14.42 27.42 122.00 -164.03 -111.59 135.52 34.75 65.09 0.16 30.37 3.74 0.34 0.04 0.13 0.00 63.99 1.39 16 H E E 57.18 13.37 16.65 30.68 122.50 -164.63 -115.27 137.13 13.01 86.93 0.05 11.45 1.23 0.11 0.01 0.03 0.00 86.83 0.34 17 K E E 90.32 10.32 20.09 30.91 123.31 -157.81 -115.35 135.65 6.42 93.56 0.02 5.87 0.40 0.03 0.00 0.01 0.00 93.53 0.16 18 I E E 18.52 20.68 16.03 37.00 122.95 -166.23 -119.42 132.97 3.33 96.66 0.00 3.28 0.08 0.00 0.00 0.00 0.00 96.57 0.07 19 R E E 97.98 8.63 23.72 32.90 117.90 -157.48 -108.83 125.71 2.41 97.59 0.00 2.30 0.06 0.00 0.00 0.00 0.00 97.60 0.03 20 I E E 9.44 23.59 16.60 40.68 119.77 -166.59 -113.98 128.82 1.30 98.69 0.00 1.33 0.02 0.00 0.00 0.00 0.00 98.64 0.02 21 T E E 45.85 9.37 25.81 35.90 118.87 -163.27 -112.19 126.95 0.75 99.25 0.00 0.73 0.01 0.00 0.00 0.00 0.00 99.24 0.02 22 L E E 6.63 24.77 17.38 42.61 123.47 -169.06 -115.65 136.07 1.10 98.89 0.00 1.11 0.02 0.00 0.00 0.00 0.00 98.84 0.03 23 T E E 50.36 9.58 25.80 35.82 126.83 -170.16 -123.04 143.07 3.63 96.36 0.01 3.46 0.14 0.01 0.00 0.00 0.00 96.24 0.15 24 S E E 11.01 20.21 14.72 35.06 137.77 166.01 -147.21 158.98 25.48 74.47 0.05 24.56 0.98 0.07 0.01 0.03 0.00 72.88 1.46 25 R C S 148.61 4.94 20.47 26.25 94.59 -138.81 -83.74 -15.83 99.11 0.86 0.03 2.80 95.86 0.70 0.00 0.01 0.00 0.55 0.07 26 K C C 98.49 6.19 19.65 26.77 110.80 72.30 -105.27 108.02 98.52 1.29 0.18 59.01 39.18 0.60 0.10 0.07 0.00 0.50 0.55 27 V H H 53.33 15.74 13.78 29.56 93.66 -167.39 -62.58 -37.45 3.52 0.02 96.47 0.84 0.60 1.90 95.36 1.28 0.00 0.00 0.00 28 Q H H 120.27 1.86 22.13 23.02 91.68 54.95 -63.72 -40.41 2.20 0.01 97.79 0.27 0.22 1.60 96.33 1.57 0.00 0.00 0.00 29 S H H 27.37 8.95 18.89 29.49 91.86 49.75 -65.01 -40.10 1.14 0.01 98.85 0.23 0.10 0.73 97.13 1.81 0.00 0.00 0.00 30 L H H 4.95 24.56 14.72 39.52 91.45 52.04 -63.57 -42.37 0.30 0.00 99.70 0.06 0.02 0.15 99.55 0.22 0.00 0.00 0.00 31 E H H 79.39 10.87 22.12 32.77 91.50 51.48 -63.16 -41.61 0.15 0.00 99.85 0.02 0.01 0.08 99.86 0.03 0.00 0.00 0.00 32 K H H 115.91 2.29 25.93 26.90 91.47 50.19 -64.01 -41.97 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 33 V H H 13.24 17.70 21.25 39.18 91.47 48.97 -64.10 -43.54 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 34 C H H 4.74 23.91 19.12 42.99 91.33 50.56 -63.79 -42.66 0.11 0.00 99.89 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 35 Q H H 88.11 5.57 24.58 30.35 91.27 51.23 -63.44 -41.92 0.07 0.00 99.93 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 36 E H H 78.90 5.56 24.47 30.21 91.58 49.75 -64.34 -42.11 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 37 L H H 5.95 22.70 19.48 42.22 91.60 49.41 -63.90 -43.63 0.09 0.00 99.91 0.00 0.00 0.07 99.91 0.01 0.00 0.00 0.00 38 I H H 27.89 17.40 19.95 37.04 91.60 49.63 -63.09 -42.64 0.14 0.00 99.86 0.01 0.00 0.09 99.87 0.02 0.00 0.00 0.00 39 E H H 107.28 2.11 24.30 24.66 91.43 49.71 -63.90 -41.90 0.35 0.00 99.65 0.03 0.01 0.24 99.67 0.05 0.00 0.00 0.00 40 R H H 78.11 8.04 20.21 29.19 92.07 48.98 -65.24 -41.04 0.90 0.00 99.10 0.06 0.05 0.66 99.08 0.15 0.00 0.00 0.00 41 A H H 5.54 20.89 12.34 33.58 91.76 51.05 -64.17 -40.93 2.31 0.01 97.68 0.30 0.17 1.61 97.40 0.51 0.00 0.00 0.00 42 K H H 123.76 5.05 16.69 23.20 91.58 52.04 -64.10 -39.13 6.14 0.02 93.84 0.52 0.36 4.92 92.98 1.19 0.01 0.01 0.01 43 N H H 125.06 1.06 16.84 16.76 91.19 53.59 -67.22 -25.86 16.97 0.05 82.97 0.76 0.88 15.22 82.02 1.03 0.03 0.02 0.03 44 K C T 93.35 8.24 12.57 22.19 97.35 48.29 -94.84 6.89 86.07 0.12 13.81 1.16 4.92 78.99 13.51 1.24 0.00 0.05 0.13 45 D C T 127.98 1.01 18.49 18.23 94.28 -116.27 59.10 39.20 99.64 0.05 0.31 4.86 3.45 91.44 0.11 0.09 0.00 0.03 0.01 46 L C C 24.93 20.35 8.81 28.04 119.21 154.47 -95.49 140.67 97.27 2.68 0.05 94.69 2.48 0.17 0.01 0.02 0.00 2.44 0.19 47 R E E 150.91 2.68 23.61 25.85 111.93 -127.61 -85.98 126.62 43.84 56.07 0.09 42.27 1.16 0.14 0.02 0.05 0.00 55.50 0.86 48 V E E 31.13 22.32 10.46 31.42 121.17 -166.19 -110.94 131.15 8.85 91.11 0.04 8.91 0.27 0.03 0.02 0.01 0.00 87.75 3.01 49 K E E 122.63 4.32 20.47 25.46 112.90 -173.15 -107.51 120.01 17.90 82.06 0.04 15.30 2.10 0.16 0.01 0.03 0.00 81.72 0.70 50 G E E 28.40 5.53 20.81 27.10 134.04 -47.22 117.02 -174.88 36.79 63.20 0.01 17.33 19.12 0.32 0.00 0.01 0.00 62.97 0.25 51 P E E 59.45 14.09 16.06 29.94 115.71 -51.11 -71.12 144.18 45.53 54.45 0.02 41.16 2.61 0.09 0.00 0.02 0.00 55.56 0.56 52 V E E 35.56 15.36 16.66 32.68 122.27 -160.30 -117.00 132.61 16.38 83.59 0.02 15.60 0.65 0.04 0.01 0.02 0.00 76.83 6.84 53 R E E 138.08 6.30 21.48 28.95 115.63 -130.27 -84.88 132.79 31.43 68.55 0.02 31.15 0.70 0.03 0.01 0.01 0.00 62.55 5.54 54 M C C 29.50 21.48 11.74 32.40 118.89 -131.60 -85.60 144.32 88.76 11.22 0.01 87.52 1.83 0.04 0.00 0.01 0.00 10.18 0.42 55 P C C 59.09 6.95 19.02 26.87 115.51 -102.97 -66.98 152.73 92.58 7.35 0.07 83.54 8.35 0.43 0.01 0.07 0.00 7.14 0.46 56 T C C 77.27 9.88 14.48 25.16 115.12 -118.10 -87.34 136.45 56.85 42.96 0.19 45.44 9.87 0.64 0.04 0.19 0.00 42.67 1.15 57 K E E 98.48 8.74 15.07 24.99 122.43 -150.58 -107.40 140.58 15.60 84.30 0.10 12.81 2.48 0.21 0.02 0.08 0.00 83.97 0.42 58 T E E 72.73 7.89 15.46 24.69 120.13 -151.29 -109.66 130.99 3.10 96.87 0.03 2.83 0.19 0.02 0.01 0.01 0.00 96.84 0.10 59 L E E 53.25 13.24 12.92 26.93 120.90 -162.06 -111.53 135.62 1.19 98.80 0.01 1.08 0.06 0.01 0.00 0.00 0.00 98.82 0.03 60 K E E 115.66 5.47 17.99 24.80 119.68 -157.31 -110.10 132.26 0.75 99.24 0.00 0.65 0.04 0.00 0.00 0.00 0.00 99.29 0.01 61 I E E 50.78 14.46 12.98 28.03 120.73 -161.73 -112.77 131.73 1.16 98.83 0.01 1.06 0.04 0.00 0.00 0.00 0.00 98.87 0.02 62 T E E 58.12 6.71 17.53 25.64 125.34 -170.47 -119.95 143.04 3.05 96.93 0.02 2.74 0.15 0.02 0.00 0.01 0.00 97.02 0.05 63 T E E 55.66 12.01 13.40 26.18 123.84 -157.26 -114.92 138.94 5.03 94.94 0.04 4.42 0.45 0.06 0.01 0.01 0.00 94.87 0.18 64 R E E 116.00 7.24 14.62 23.27 120.05 -156.51 -108.53 138.50 10.72 89.22 0.06 9.45 1.21 0.14 0.02 0.04 0.00 88.49 0.65 65 K E E 127.15 5.00 14.07 20.69 115.51 -133.18 -90.78 136.65 45.58 54.30 0.12 39.41 5.30 0.39 0.04 0.10 0.00 52.73 2.04 66 T C C 46.98 9.68 9.72 20.87 116.50 -123.95 -89.46 140.86 90.77 9.00 0.23 83.53 6.21 0.80 0.06 0.19 0.00 8.08 1.13 67 P C T 102.08 2.68 12.69 16.61 93.95 -133.46 -67.09 -20.74 96.09 1.47 2.45 9.40 30.25 56.24 0.19 2.51 0.00 1.02 0.39 68 C C T 84.02 3.93 10.42 15.64 98.96 52.15 -91.26 -2.47 94.08 2.31 3.60 7.42 31.82 54.85 0.33 3.34 0.00 1.33 0.90 69 G C S 42.69 3.76 10.57 16.00 116.16 -100.92 89.42 3.94 86.82 3.94 9.24 22.13 46.15 18.38 1.15 8.06 0.00 1.91 2.21 70 E C T 151.50 1.56 10.48 13.09 105.95 -16.81 -76.57 106.18 85.91 1.81 12.28 7.31 16.86 60.96 1.21 11.68 0.01 1.11 0.87 71 G C T 62.20 1.16 11.81 12.93 98.22 9.00 81.63 0.50 86.15 1.61 12.25 9.72 17.59 58.14 1.30 11.53 0.00 1.00 0.72 72 S C C 55.64 5.55 8.66 16.14 116.50 119.90 -88.22 144.13 85.29 5.93 8.77 50.21 24.58 10.65 1.35 7.78 0.00 3.61 1.82 73 K C C 149.40 2.86 12.63 16.93 106.24 -136.97 -88.02 64.36 78.42 18.39 3.19 57.07 15.01 6.10 0.57 2.77 0.00 16.69 1.79 74 T E E 66.40 6.03 12.33 20.15 124.35 146.92 -108.20 146.32 47.66 51.81 0.53 40.95 5.03 0.93 0.12 0.41 0.00 51.37 1.18 75 W E E 118.24 10.41 11.76 23.15 123.02 -146.11 -108.26 142.31 11.36 88.58 0.06 10.33 0.74 0.10 0.02 0.03 0.00 88.25 0.54 76 D E E 64.99 7.84 15.56 24.82 122.61 -159.11 -111.98 142.13 3.30 96.69 0.01 3.00 0.13 0.02 0.00 0.00 0.00 96.78 0.08 77 A E E 54.52 9.62 14.93 25.68 121.22 -141.86 -106.98 137.58 2.77 97.22 0.00 2.54 0.09 0.00 0.00 0.00 0.00 97.32 0.04 78 Y E E 59.76 12.61 13.99 27.88 126.08 -170.45 -121.75 144.44 3.07 96.92 0.00 2.88 0.06 0.00 0.00 0.00 0.00 97.00 0.05 79 E E E 98.97 6.93 17.96 26.07 120.60 -144.52 -108.35 135.27 2.15 97.85 0.00 1.98 0.05 0.00 0.00 0.00 0.00 97.92 0.03 80 M E E 45.90 15.78 13.96 29.92 127.24 -169.95 -122.07 144.65 2.73 97.26 0.00 2.55 0.06 0.01 0.00 0.00 0.00 97.34 0.04 81 R E E 102.21 8.06 19.28 28.25 117.56 -143.54 -104.17 130.25 1.99 98.00 0.00 1.84 0.06 0.00 0.00 0.00 0.00 98.05 0.04 82 I E E 40.99 15.16 16.28 32.07 119.50 -159.96 -111.54 129.62 3.86 96.13 0.01 3.58 0.17 0.01 0.00 0.00 0.00 96.13 0.10 83 H E E 48.67 12.35 18.25 31.78 122.09 -163.25 -111.85 135.66 6.34 93.64 0.02 5.76 0.38 0.03 0.00 0.01 0.00 93.66 0.15 84 K E E 86.75 12.26 19.26 31.52 124.86 -165.38 -119.89 139.44 10.39 89.58 0.03 9.46 0.58 0.04 0.01 0.01 0.00 89.76 0.14 85 R E E 53.29 16.12 17.75 33.84 126.78 -168.13 -123.22 140.15 6.61 93.36 0.03 6.25 0.26 0.02 0.01 0.01 0.00 93.34 0.12 86 L E E 54.74 10.74 21.84 33.29 119.16 -152.83 -110.01 128.98 1.90 98.09 0.01 1.77 0.07 0.01 0.00 0.00 0.00 98.09 0.06 87 I E E 12.45 22.06 16.74 38.99 121.17 -165.77 -114.61 128.95 0.82 99.17 0.01 0.75 0.03 0.00 0.00 0.00 0.00 99.19 0.02 88 D E E 60.75 7.77 25.13 33.38 114.88 -155.57 -103.55 123.09 1.97 98.00 0.03 1.70 0.12 0.02 0.01 0.01 0.00 98.10 0.04 89 L E E 12.25 23.38 14.72 38.11 119.30 -166.97 -110.30 129.92 14.11 85.41 0.48 12.73 1.08 0.33 0.24 0.22 0.00 84.88 0.53 90 T E E 65.28 6.90 22.90 30.10 116.47 -162.27 -106.82 126.10 37.81 61.77 0.42 27.93 9.33 1.27 0.14 0.29 0.00 59.52 1.52 91 A C C 31.23 15.09 14.05 29.22 122.52 -148.45 -111.72 140.43 78.14 20.98 0.88 54.80 21.49 1.69 0.35 0.53 0.00 20.20 0.96 92 P C C 68.11 7.77 16.00 24.84 106.83 -111.28 -69.54 132.47 86.52 7.21 6.26 62.42 15.07 8.92 2.86 3.27 0.00 6.51 0.95 93 T C C 79.17 7.03 14.62 22.64 111.72 -124.07 -103.19 40.42 75.86 5.87 18.27 41.20 21.08 14.03 11.37 6.68 0.03 4.31 1.30 94 E C C 116.75 6.15 16.52 23.56 106.44 -116.07 -84.32 67.62 62.46 14.21 23.33 35.22 16.33 11.28 15.80 7.40 0.12 11.99 1.86 95 I C C 66.05 12.06 15.24 27.64 110.88 44.35 -96.81 101.49 42.86 32.99 24.15 30.56 6.65 5.59 18.18 6.39 0.09 29.92 2.63 96 V E E 37.55 17.59 12.17 29.24 117.93 -152.19 -103.84 127.89 29.44 44.85 25.72 23.11 3.31 2.95 19.06 6.60 0.03 43.06 1.88 97 K E E 121.38 5.51 18.64 25.09 101.74 -173.67 -91.48 -32.21 30.58 44.66 24.76 20.03 6.90 5.10 14.98 8.59 0.08 43.19 1.13 98 Q E E 87.61 7.01 19.69 27.69 135.20 2.23 -148.82 148.32 26.64 49.91 23.45 18.80 4.36 4.55 13.42 8.59 0.04 49.22 1.02 99 I E E 42.14 19.34 13.65 32.28 120.62 -156.23 -115.81 128.50 34.38 50.89 14.73 29.23 2.67 1.97 10.75 3.70 0.01 50.23 1.44 100 I C C 73.88 8.70 20.30 29.80 119.08 -163.93 -114.06 124.75 51.25 44.93 3.82 47.41 1.90 0.99 3.05 0.86 0.00 44.28 1.50 101 I C C 44.59 17.08 14.27 31.24 120.75 -168.26 -114.77 128.60 60.35 37.96 1.69 56.35 2.21 0.81 1.24 0.45 0.00 37.73 1.20 102 N C C 98.82 4.82 21.32 26.84 111.15 -149.12 -98.08 114.60 64.83 33.85 1.32 59.21 3.48 1.15 0.76 0.50 0.00 33.24 1.65 103 I C C 40.07 19.31 11.25 29.60 121.97 -170.05 -114.76 134.30 71.60 27.10 1.30 65.12 4.87 0.97 0.86 0.54 0.00 23.09 4.54 104 E C C 108.91 4.24 19.27 23.94 119.37 -128.15 -83.25 148.91 91.53 7.45 1.02 86.13 3.99 1.40 0.45 0.50 0.00 6.06 1.47 105 A C T 71.41 6.45 15.56 23.26 110.84 -83.70 -61.92 137.39 95.03 2.92 2.05 6.60 9.90 78.86 0.55 1.27 0.00 2.23 0.59 106 G C T 40.90 5.47 18.34 24.92 97.65 22.46 88.08 -5.05 95.42 3.43 1.16 8.66 9.21 77.53 0.18 0.90 0.00 3.22 0.30 107 V C C 28.52 17.54 12.43 30.36 119.50 118.90 -100.93 134.79 56.98 42.66 0.35 51.13 4.19 0.51 0.12 0.22 0.00 42.59 1.24 108 E E E 97.54 6.73 21.90 29.42 120.85 -158.49 -113.05 134.70 18.47 81.25 0.28 17.17 0.84 0.22 0.14 0.12 0.00 80.92 0.59 109 V E E 24.52 21.51 13.69 34.80 125.48 -168.74 -123.39 135.18 13.58 86.15 0.27 12.68 0.42 0.13 0.14 0.08 0.00 86.35 0.20 110 E E E 95.69 5.72 24.12 30.38 120.27 -162.84 -114.37 131.40 9.80 89.95 0.25 9.13 0.31 0.11 0.13 0.07 0.00 90.10 0.14 111 V E E 23.46 22.04 13.39 34.99 123.77 -169.07 -119.97 133.44 10.16 89.65 0.19 9.66 0.24 0.08 0.10 0.05 0.00 89.72 0.14 112 T E E 63.95 5.84 23.16 29.47 123.02 -168.75 -120.01 136.71 8.30 91.51 0.19 7.80 0.29 0.09 0.10 0.06 0.00 91.43 0.22 113 I E E 53.15 16.78 12.52 29.01 119.33 -152.78 -105.64 130.89 13.86 85.92 0.22 13.06 0.60 0.14 0.14 0.09 0.00 85.25 0.74 114 A E E 55.35 6.19 14.55 22.28 120.56 -156.85 -101.99 144.94 49.81 49.86 0.34 48.71 0.64 0.26 0.12 0.15 0.00 49.13 0.99 115 A C C 73.19 5.32 14.42 21.05 111.96 -105.36 -73.73 139.20 99.65 0.34 0.01 99.56 0.12 0.04 0.00 0.00 0.00 0.27 0.01