# 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 100.52 7.84 11.30 20.16 113.87 -167.30 -93.51 132.69 99.94 0.04 0.02 99.86 0.07 0.04 0.01 0.00 0.00 0.01 0.00 1 E C C 134.97 2.82 10.60 14.93 109.91 -138.85 -83.94 124.31 76.25 1.21 22.54 69.32 1.15 7.56 16.26 4.46 0.00 0.66 0.59 2 D C C 103.23 3.19 9.67 14.46 107.78 -143.29 -88.60 105.27 67.11 1.66 31.23 42.34 9.63 15.16 22.73 8.45 0.01 0.86 0.83 3 Y C C 128.39 6.59 9.12 17.10 108.31 107.13 -90.32 98.82 56.36 1.83 41.80 35.48 9.68 11.69 30.95 10.37 0.02 0.92 0.89 4 Q C H 109.90 4.42 12.02 17.94 106.21 120.44 -83.00 77.18 51.69 1.52 46.79 34.57 8.70 9.42 38.17 7.70 0.01 0.76 0.66 5 A C H 61.13 5.69 11.76 18.94 102.20 62.91 -76.09 -23.83 50.50 1.15 48.35 32.27 8.87 10.38 40.22 7.15 0.01 0.54 0.54 6 A H H 60.33 6.34 12.61 20.31 99.79 63.06 -72.21 -28.82 48.34 0.99 50.66 28.92 9.83 10.76 41.27 8.28 0.02 0.46 0.46 7 E H H 113.00 5.76 13.48 20.57 97.52 58.09 -73.85 -25.41 48.67 1.39 49.94 29.04 8.93 11.54 38.48 10.67 0.02 0.72 0.60 8 E C C 113.50 5.85 14.75 21.78 98.78 59.75 -76.78 -18.84 55.69 2.02 42.29 33.05 10.15 13.10 32.62 9.16 0.03 1.06 0.83 9 T C C 64.47 9.98 14.74 25.32 101.63 59.99 -91.34 3.62 68.68 4.30 27.03 46.75 9.33 12.05 20.90 6.83 0.02 2.58 1.55 10 A C C 49.01 10.32 17.22 28.08 111.14 107.46 -85.69 132.57 81.00 9.66 9.34 59.25 15.96 5.31 7.79 2.41 0.01 6.22 3.05 11 F C C 45.09 18.63 13.65 31.70 114.94 -118.05 -91.61 130.78 79.21 17.56 3.23 65.83 11.43 1.29 3.11 0.71 0.00 9.18 8.44 12 V C C 64.78 7.02 21.52 29.09 107.75 -145.32 -88.27 109.70 87.52 10.01 2.47 86.16 1.76 0.60 2.34 0.31 0.00 6.05 2.79 13 V H H 45.88 17.38 13.69 30.54 94.09 -169.55 -63.21 -40.37 5.04 0.08 94.88 2.59 0.78 1.78 93.84 0.94 0.00 0.04 0.02 14 D H H 105.53 2.04 19.89 21.75 92.08 53.64 -64.42 -40.08 2.20 0.02 97.78 0.49 0.24 1.31 96.87 1.07 0.00 0.01 0.00 15 E H H 96.62 4.54 20.29 25.10 92.53 48.54 -66.48 -40.36 1.41 0.02 98.58 0.34 0.13 0.81 97.53 1.18 0.00 0.01 0.00 16 V H H 8.94 21.66 15.58 37.51 92.47 49.25 -64.82 -43.33 0.94 0.01 99.05 0.22 0.09 0.50 98.77 0.42 0.00 0.00 0.00 17 S H H 26.39 14.47 18.94 33.64 91.53 52.03 -62.34 -42.17 0.64 0.00 99.36 0.15 0.05 0.32 99.40 0.08 0.00 0.00 0.00 18 N H H 92.37 2.21 24.62 25.31 91.71 50.30 -64.72 -41.07 0.57 0.00 99.43 0.07 0.03 0.34 99.50 0.05 0.00 0.00 0.00 19 I H H 41.47 10.58 21.50 32.87 91.77 49.59 -63.84 -43.30 0.42 0.00 99.58 0.06 0.03 0.22 99.66 0.03 0.00 0.00 0.00 20 V H H 7.25 23.96 17.63 41.82 91.42 49.05 -63.65 -43.70 0.21 0.00 99.79 0.03 0.01 0.10 99.84 0.02 0.00 0.00 0.00 21 K H H 91.63 11.02 21.90 32.76 91.09 51.13 -62.08 -41.97 0.13 0.00 99.87 0.02 0.01 0.06 99.90 0.01 0.00 0.00 0.00 22 E H H 107.04 2.25 25.11 25.81 91.64 49.65 -64.01 -41.69 0.14 0.00 99.86 0.01 0.01 0.08 99.88 0.02 0.00 0.00 0.00 23 A H H 18.04 12.95 19.70 33.67 91.68 49.90 -63.98 -43.00 0.25 0.00 99.75 0.02 0.01 0.15 99.79 0.03 0.00 0.00 0.00 24 I H H 10.88 22.80 16.46 39.13 91.75 48.73 -64.30 -42.50 0.41 0.00 99.59 0.05 0.02 0.24 99.61 0.07 0.00 0.00 0.00 25 E H H 103.62 7.37 19.89 28.12 91.42 50.78 -62.63 -39.86 0.65 0.00 99.34 0.06 0.04 0.46 99.25 0.20 0.00 0.00 0.00 26 S H H 79.46 1.63 22.12 22.29 92.91 47.90 -68.22 -36.68 2.81 0.00 97.18 0.11 0.11 2.56 96.68 0.54 0.00 0.00 0.00 27 A H H 34.89 12.84 17.07 30.15 96.50 43.62 -77.10 -35.32 8.45 0.02 91.54 0.23 0.39 8.00 90.73 0.63 0.01 0.00 0.01 28 I H H 22.49 20.14 12.70 32.36 98.89 36.86 -98.38 -11.63 33.62 0.53 65.85 2.93 5.09 26.37 63.27 1.53 0.25 0.17 0.38 29 G C T 45.61 5.18 15.34 22.43 111.97 134.17 10.35 155.12 91.52 1.66 6.82 29.33 11.10 51.61 3.21 3.08 0.00 0.89 0.79 30 G C T 63.91 1.16 16.15 16.73 98.11 -0.51 81.35 1.75 92.59 1.74 5.67 19.72 21.88 51.23 1.18 4.34 0.00 1.02 0.65 31 N C C 78.96 8.72 12.12 22.14 119.80 118.67 -91.73 142.32 90.94 3.63 5.44 75.51 10.42 4.47 1.27 4.56 0.00 1.94 1.82 32 A C C 65.42 5.14 17.19 23.38 119.05 -135.43 -87.10 150.44 88.47 5.13 6.40 49.18 26.70 12.47 1.37 5.33 0.00 2.63 2.31 33 Y C C 82.19 17.32 11.00 27.16 108.64 -105.24 -74.49 118.16 89.31 4.83 5.86 48.51 30.08 10.48 1.50 4.46 0.00 2.11 2.85 34 Q C C 96.54 3.89 18.25 22.65 114.43 145.88 -108.43 116.67 95.71 1.51 2.77 84.55 9.62 1.50 1.83 0.85 0.00 0.59 1.06 35 H H H 119.67 7.43 11.86 21.06 93.01 -143.83 -59.70 -36.37 22.78 0.13 77.08 2.20 2.68 16.33 61.32 17.23 0.08 0.07 0.09 36 S H H 87.75 0.98 16.51 16.08 91.82 56.20 -67.59 -30.48 22.97 0.07 76.96 1.28 1.71 18.31 61.86 16.70 0.06 0.03 0.05 37 K H H 90.11 6.79 15.48 23.40 95.23 46.95 -78.42 -27.58 14.90 0.10 85.00 1.90 1.35 10.38 69.50 16.72 0.04 0.05 0.05 38 V H H 18.04 19.48 11.64 30.76 91.86 63.42 -62.33 -43.71 2.11 0.01 97.88 0.68 0.29 0.94 97.37 0.71 0.00 0.00 0.00 39 N H H 87.81 5.61 19.42 25.90 91.71 51.50 -63.69 -39.97 1.28 0.00 98.72 0.26 0.08 0.75 98.42 0.49 0.00 0.00 0.00 40 Q H H 108.97 1.91 23.02 23.16 91.99 49.82 -65.33 -41.19 0.56 0.00 99.44 0.08 0.03 0.34 99.25 0.30 0.00 0.00 0.00 41 W H H 43.59 14.90 19.24 34.45 92.05 49.39 -64.98 -42.77 0.28 0.00 99.72 0.04 0.01 0.16 99.68 0.10 0.00 0.00 0.00 42 T H H 12.52 21.29 18.16 39.03 91.54 50.86 -63.08 -42.66 0.20 0.00 99.80 0.02 0.01 0.12 99.82 0.03 0.00 0.00 0.00 43 T H H 64.01 6.27 23.56 30.08 91.64 50.59 -63.94 -41.41 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 44 N H H 75.61 4.13 25.27 29.14 91.83 49.54 -64.78 -41.76 0.12 0.00 99.88 0.01 0.00 0.08 99.90 0.01 0.00 0.00 0.00 45 V H H 7.43 21.04 20.50 41.56 91.80 49.12 -64.10 -44.01 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 46 V H H 11.79 21.72 20.32 41.42 91.19 49.86 -62.66 -43.56 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 47 E H H 107.17 3.65 25.77 29.35 91.51 49.95 -63.62 -41.76 0.04 0.00 99.96 0.00 0.00 0.03 99.97 0.01 0.00 0.00 0.00 48 Q H H 77.21 6.55 24.75 31.56 91.81 48.59 -64.55 -41.87 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 49 T H H 3.44 24.21 18.83 43.23 91.29 49.06 -63.73 -43.55 0.13 0.00 99.87 0.01 0.00 0.09 99.87 0.02 0.00 0.00 0.00 50 L H H 36.33 17.42 21.02 37.61 91.34 50.38 -62.25 -42.10 0.21 0.00 99.79 0.01 0.01 0.15 99.77 0.06 0.00 0.00 0.00 51 S H H 59.15 2.36 25.01 25.79 91.26 50.07 -63.55 -41.93 0.63 0.00 99.37 0.04 0.03 0.50 99.29 0.15 0.00 0.00 0.00 52 Q H H 57.65 9.67 21.13 31.44 91.94 49.52 -65.45 -41.42 1.39 0.00 98.61 0.08 0.08 1.14 98.21 0.50 0.00 0.00 0.00 53 L H H 5.12 24.14 13.35 37.70 91.81 50.14 -64.50 -41.61 2.44 0.01 97.55 0.27 0.18 1.78 96.22 1.54 0.00 0.00 0.00 54 T H H 71.23 8.12 17.57 26.52 91.80 52.30 -64.94 -37.85 9.90 0.03 90.08 0.89 0.59 8.00 87.11 3.36 0.01 0.01 0.01 55 K H H 153.97 1.33 18.96 19.39 91.29 55.21 -66.83 -28.61 28.82 0.05 71.12 1.47 1.48 25.69 67.96 3.32 0.02 0.02 0.03 56 L C T 58.73 11.95 12.47 25.18 94.32 55.81 -80.80 -11.41 60.03 0.29 39.68 4.81 8.12 45.44 37.84 3.39 0.05 0.11 0.24 57 G C T 54.27 2.32 18.73 21.20 98.25 -112.87 82.92 13.69 98.23 0.28 1.49 31.43 12.62 54.47 0.69 0.54 0.00 0.12 0.13 58 K C C 83.02 12.10 13.64 26.18 120.80 128.03 -98.60 140.13 99.47 0.48 0.05 73.41 25.75 0.41 0.01 0.03 0.00 0.22 0.18 59 P C C 73.44 6.96 19.81 27.27 110.29 -109.70 -71.28 134.21 98.97 0.99 0.03 86.90 11.45 0.69 0.00 0.03 0.00 0.79 0.13 60 F C C 31.51 19.14 14.48 33.33 136.42 150.90 -138.26 158.83 58.46 41.49 0.05 45.36 12.41 0.38 0.01 0.06 0.00 40.84 0.95 61 K E E 83.55 9.29 24.58 34.16 121.70 -126.16 -111.85 136.43 9.73 90.26 0.01 8.30 0.81 0.04 0.00 0.01 0.00 90.69 0.15 62 Y E E 15.29 23.81 17.23 41.03 124.38 -159.91 -118.38 135.56 0.87 99.13 0.00 0.80 0.02 0.00 0.00 0.00 0.00 99.16 0.02 63 I E E 42.89 10.74 26.04 37.50 116.99 -161.01 -110.50 123.87 0.20 99.80 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.00 64 V E E 5.68 24.97 18.13 43.45 122.09 -168.29 -117.13 131.22 0.17 99.83 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.84 0.00 65 T E E 39.37 9.68 27.09 37.56 118.89 -164.60 -112.24 127.57 0.35 99.65 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.70 0.00 66 C E E 7.04 24.63 17.27 42.01 123.65 -168.92 -120.02 132.52 0.66 99.34 0.00 0.56 0.02 0.00 0.00 0.00 0.00 99.42 0.00 67 V E E 41.36 9.47 26.65 37.12 120.44 -166.78 -118.31 128.41 0.56 99.43 0.00 0.48 0.01 0.00 0.00 0.00 0.00 99.49 0.01 68 I E E 19.44 21.38 18.36 39.90 117.12 -156.11 -107.41 125.96 1.16 98.84 0.00 1.00 0.03 0.00 0.00 0.00 0.00 98.94 0.02 69 M E E 49.69 10.41 19.85 31.58 130.32 -174.58 -126.25 147.91 2.96 97.03 0.01 2.78 0.09 0.01 0.00 0.00 0.00 96.92 0.20 70 Q E E 65.51 10.35 15.11 26.60 117.22 -116.25 -77.71 150.12 20.06 79.79 0.15 19.30 0.74 0.13 0.06 0.08 0.00 78.22 1.47 71 K C T 130.87 6.92 12.65 20.99 94.38 -111.48 -63.82 -24.88 91.72 2.57 5.71 2.38 13.30 75.77 0.26 5.86 0.00 1.99 0.43 72 N C T 128.27 0.99 13.90 13.99 95.98 55.21 -86.94 2.94 91.97 1.49 6.53 1.89 13.36 75.92 0.29 7.08 0.00 0.95 0.49 73 G C S 52.78 3.48 12.06 17.18 99.21 -98.75 86.77 4.77 94.72 1.94 3.34 15.13 69.66 9.70 0.26 3.34 0.00 1.06 0.85 74 A C C 64.10 4.56 11.69 18.03 114.66 131.95 -83.30 144.00 95.36 3.90 0.74 66.16 23.86 5.33 0.13 0.78 0.00 2.78 0.96 75 G C C 40.59 5.61 13.59 20.83 127.94 -112.99 88.58 170.53 74.69 24.54 0.77 43.54 29.98 2.95 0.21 0.64 0.00 19.83 2.85 76 L E E 92.74 10.12 12.45 23.31 119.67 -68.81 -102.75 135.89 46.24 52.87 0.89 37.40 7.53 1.50 0.34 0.63 0.00 50.06 2.54 77 H E E 117.58 5.95 15.88 23.95 123.52 -168.91 -122.40 136.58 28.96 70.27 0.77 24.82 3.31 0.85 0.34 0.46 0.00 68.23 1.99 78 T E E 72.69 10.76 12.80 24.78 128.13 -173.54 -131.43 141.68 27.90 71.33 0.77 24.55 2.50 0.71 0.37 0.42 0.00 69.43 2.02 79 A E E 65.05 6.48 15.31 23.90 128.03 -172.31 -131.27 144.93 37.30 61.62 1.09 30.91 5.28 1.34 0.44 0.67 0.00 60.00 1.37 80 S E E 56.38 11.78 12.68 25.32 130.50 -172.46 -136.06 147.06 41.69 57.15 1.16 33.73 6.91 1.54 0.42 0.79 0.00 55.23 1.39 81 S E E 65.57 5.89 17.70 25.32 130.44 -168.10 -136.31 148.93 43.02 55.85 1.13 34.75 6.63 1.42 0.37 0.77 0.00 54.75 1.30 82 C E E 51.78 15.45 12.95 28.26 129.04 -168.40 -133.25 142.25 33.74 65.33 0.93 28.30 4.40 1.19 0.34 0.60 0.00 63.45 1.73 83 F E E 119.52 5.33 20.18 26.50 122.36 -164.41 -119.37 131.33 24.39 75.19 0.42 20.41 2.93 0.72 0.21 0.24 0.00 72.15 3.33 84 W E E 81.88 16.43 11.73 27.72 129.57 -167.95 -128.29 148.22 38.63 61.15 0.21 32.64 4.75 0.49 0.12 0.14 0.00 57.41 4.45 85 D C C 71.80 5.73 17.55 24.24 110.61 -133.80 -97.22 115.25 73.71 26.08 0.20 67.40 4.99 0.49 0.08 0.13 0.00 23.87 3.03 86 S C T 67.51 9.50 11.69 22.29 93.27 -153.53 -67.29 -21.15 92.29 1.48 6.22 4.77 20.87 67.04 0.81 4.96 0.00 0.94 0.61 87 S C T 92.29 1.10 16.96 16.95 94.53 56.57 -79.02 -17.03 94.24 0.55 5.20 2.40 19.49 72.72 0.50 4.27 0.00 0.32 0.30 88 T C T 73.10 5.93 15.06 22.06 107.77 27.21 -113.96 6.45 88.05 6.18 5.77 13.79 27.75 47.03 0.77 4.83 0.01 4.23 1.58 89 D C C 59.15 14.31 11.93 25.95 118.98 118.03 -90.95 143.37 81.28 17.68 1.04 55.36 16.81 8.85 0.22 0.90 0.00 16.32 1.55 90 G E E 25.91 9.51 19.14 29.59 136.39 134.41 164.36 175.64 39.36 60.27 0.37 25.95 11.38 2.96 0.06 0.36 0.00 58.25 1.05 91 S E E 49.73 12.89 18.07 31.12 132.84 -136.13 -136.90 150.97 11.90 88.03 0.07 10.37 1.32 0.17 0.02 0.05 0.00 87.42 0.64 92 C E E 33.52 15.65 17.00 33.11 132.90 -173.18 -139.22 146.12 2.64 97.35 0.01 2.41 0.14 0.01 0.00 0.00 0.00 97.29 0.14 93 T E E 61.96 11.21 19.70 31.50 126.31 -162.64 -126.17 136.81 1.51 98.49 0.00 1.35 0.07 0.00 0.00 0.00 0.00 98.54 0.03 94 V E E 34.45 15.91 17.32 33.63 125.10 -172.00 -127.28 134.97 1.35 98.65 0.00 1.27 0.03 0.00 0.00 0.00 0.00 98.67 0.02 95 R E E 113.77 8.64 20.47 30.07 121.99 -164.63 -116.69 130.82 1.58 98.42 0.00 1.60 0.02 0.00 0.00 0.00 0.00 98.36 0.02 96 W E E 56.83 15.15 15.66 31.51 125.94 -174.16 -125.27 140.47 1.24 98.75 0.00 1.18 0.03 0.00 0.00 0.00 0.00 98.74 0.05 97 E E E 102.61 7.30 17.35 26.29 127.05 -172.00 -131.38 139.75 8.49 91.50 0.01 7.31 0.69 0.06 0.00 0.01 0.00 91.70 0.24 98 N C C 57.45 7.73 14.12 23.48 132.01 164.41 -135.02 170.93 84.69 15.28 0.04 77.97 4.95 0.26 0.01 0.03 0.00 16.43 0.35 99 K C S 166.11 1.28 16.10 17.19 93.15 -84.38 -64.53 -29.03 99.72 0.18 0.10 2.79 82.37 14.61 0.01 0.08 0.00 0.11 0.03 100 T C S 70.12 7.09 15.67 23.67 104.73 23.17 -110.22 -21.31 99.21 0.68 0.10 2.71 81.07 15.49 0.01 0.08 0.00 0.59 0.05 101 M E E 28.78 16.77 14.67 32.01 133.62 27.99 -139.66 148.34 30.00 69.99 0.01 25.66 2.59 0.10 0.00 0.01 0.00 71.30 0.33 102 Y E E 64.57 11.36 22.45 34.51 125.07 -161.29 -124.43 139.77 1.16 98.84 0.00 1.10 0.03 0.00 0.00 0.00 0.00 98.84 0.03 103 C E E 6.63 22.55 18.56 41.38 127.45 -170.23 -126.60 138.46 0.17 99.83 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.84 0.00 104 I E E 42.23 10.66 26.39 37.93 119.73 -161.96 -115.85 126.34 0.12 99.88 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 105 V E E 5.27 24.46 19.27 44.04 124.17 -170.38 -120.49 134.58 0.22 99.78 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.00 106 S E E 23.40 11.25 26.80 39.00 121.40 -163.85 -114.76 132.96 0.30 99.70 0.00 0.27 0.00 0.00 0.00 0.00 0.00 99.73 0.00 107 A E E 4.02 24.80 19.37 44.37 126.51 -170.77 -124.11 138.23 0.32 99.68 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.71 0.00 108 F E E 52.79 11.88 27.01 39.23 126.71 -170.50 -125.44 139.17 0.42 99.58 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.62 0.01 109 G E E 5.02 21.81 19.91 41.20 135.15 -173.86 -132.75 155.35 1.06 98.94 0.00 0.93 0.05 0.01 0.00 0.00 0.00 98.99 0.02 110 L E E 41.59 12.69 22.79 36.04 126.74 -156.35 -126.60 140.80 3.36 96.61 0.02 3.07 0.21 0.03 0.01 0.01 0.00 96.49 0.18 111 S E E 32.22 14.90 17.25 32.28 120.64 -142.70 -102.08 138.75 17.24 82.68 0.08 16.05 0.92 0.16 0.03 0.05 0.00 81.90 0.90 112 I C C 68.46 11.66 18.69 30.49 109.87 -147.58 -94.46 114.04 99.58 0.41 0.00 99.63 0.06 0.01 0.00 0.00 0.00 0.28 0.01