# 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 88.81 10.85 15.57 26.68 116.51 -150.86 -95.24 132.22 99.82 0.17 0.00 99.83 0.05 0.01 0.00 0.00 0.00 0.11 0.00 1 E C C 107.55 7.51 17.17 25.60 119.07 -158.73 -102.67 133.31 64.21 35.28 0.51 60.85 1.38 0.77 0.17 0.25 0.00 35.48 1.11 2 A E E 23.44 17.55 14.03 31.36 128.04 -164.86 -122.67 146.60 37.64 61.94 0.43 32.23 3.67 0.73 0.11 0.25 0.00 62.45 0.55 3 K E E 92.35 9.90 22.19 32.51 129.62 -167.78 -130.28 143.33 12.87 86.92 0.21 11.40 1.26 0.23 0.07 0.10 0.00 86.48 0.46 4 A E E 14.14 21.38 16.90 37.75 130.72 -170.10 -131.09 146.06 7.37 92.52 0.12 6.75 0.50 0.09 0.04 0.04 0.00 92.36 0.22 5 V E E 52.87 11.01 23.97 35.31 125.99 -163.69 -127.12 135.91 5.80 94.12 0.08 5.39 0.38 0.06 0.03 0.03 0.00 93.84 0.27 6 A E E 17.43 20.44 15.60 35.60 119.70 -154.35 -107.10 133.69 12.17 87.54 0.29 11.62 0.64 0.13 0.09 0.12 0.00 87.08 0.32 7 R E E 123.86 6.98 21.73 29.28 102.59 -169.45 -94.63 -30.78 26.87 72.83 0.30 11.91 13.59 1.57 0.04 0.24 0.00 72.42 0.23 8 T E E 67.93 8.67 22.31 30.95 121.24 8.75 -139.76 119.89 17.89 81.87 0.24 12.88 4.21 0.85 0.04 0.18 0.00 81.55 0.29 9 I E E 18.71 22.59 14.95 37.20 121.20 -175.18 -116.73 128.09 16.10 83.74 0.16 15.20 1.03 0.15 0.06 0.08 0.00 82.27 1.21 10 R E E 127.10 6.42 25.01 31.90 111.24 -153.62 -96.81 116.41 47.02 52.89 0.09 36.63 9.62 0.34 0.03 0.06 0.00 52.50 0.83 11 I C C 15.25 22.35 14.18 36.39 131.55 152.07 -130.95 150.53 79.34 20.57 0.09 67.92 12.73 0.19 0.05 0.05 0.00 16.19 2.88 12 A C C 38.80 6.68 22.45 29.79 115.72 -104.30 -69.89 149.34 99.71 0.24 0.04 99.53 0.27 0.02 0.03 0.00 0.00 0.11 0.03 13 P H H 50.04 15.71 15.32 30.99 91.58 -116.24 -57.86 -37.79 3.07 0.01 96.92 0.53 0.31 1.98 96.03 1.14 0.00 0.00 0.00 14 R H H 144.98 3.16 22.25 25.73 91.37 55.25 -63.52 -39.00 1.39 0.00 98.61 0.16 0.11 0.98 97.55 1.19 0.00 0.00 0.00 15 K H H 67.16 12.74 21.14 33.56 92.10 48.79 -66.87 -39.02 0.87 0.01 99.12 0.22 0.08 0.48 98.03 1.19 0.00 0.01 0.00 16 V H H 2.55 26.38 16.66 43.53 91.25 52.39 -63.26 -42.67 0.35 0.00 99.65 0.08 0.03 0.16 99.60 0.14 0.00 0.00 0.00 17 R H H 97.91 11.85 23.33 34.72 91.24 52.43 -62.01 -41.28 0.17 0.00 99.82 0.03 0.01 0.08 99.84 0.04 0.00 0.00 0.00 18 L H H 61.77 7.11 25.25 32.85 91.66 50.92 -64.17 -42.04 0.13 0.00 99.87 0.01 0.00 0.08 99.86 0.05 0.00 0.00 0.00 19 V H H 3.96 24.71 21.46 46.00 91.86 49.18 -64.43 -43.79 0.14 0.00 99.85 0.01 0.00 0.10 99.81 0.07 0.00 0.00 0.00 20 L H H 6.30 24.88 20.19 44.80 91.37 50.60 -62.87 -41.29 0.21 0.00 99.79 0.01 0.01 0.16 99.60 0.22 0.00 0.00 0.00 21 D H H 83.00 5.69 25.46 31.82 91.08 53.50 -64.68 -35.71 1.32 0.00 98.68 0.03 0.03 1.30 97.35 1.28 0.00 0.00 0.00 22 L H H 50.66 12.72 22.56 35.35 91.67 55.15 -69.35 -27.60 5.05 0.00 94.94 0.05 0.09 5.57 92.77 1.53 0.00 0.00 0.00 23 I H H 2.81 26.11 15.58 42.71 95.69 48.43 -89.52 -14.87 27.75 0.04 72.21 0.88 1.31 25.69 70.10 1.93 0.03 0.01 0.04 24 R C T 101.74 13.81 17.49 31.42 112.09 116.39 -62.57 131.60 98.23 0.08 1.69 0.35 0.64 97.57 1.22 0.12 0.00 0.02 0.06 25 G C T 52.53 3.06 21.46 25.15 94.04 18.22 84.26 -2.43 99.77 0.01 0.22 0.17 0.87 98.79 0.13 0.03 0.00 0.01 0.00 26 K C C 63.33 13.68 15.89 29.98 124.05 123.18 -86.61 154.03 99.67 0.31 0.02 52.67 46.97 0.13 0.00 0.01 0.00 0.11 0.11 27 N E B 67.90 6.46 24.51 31.32 118.19 -106.65 -73.20 153.06 8.62 91.36 0.02 6.49 0.11 0.00 0.02 0.00 0.00 3.65 89.73 28 A H H 6.73 24.41 14.97 39.72 91.23 -112.16 -57.63 -39.96 0.43 0.00 99.57 0.04 0.02 0.30 99.42 0.22 0.00 0.00 0.00 29 A H H 52.82 8.29 23.15 31.69 91.63 53.31 -62.91 -40.72 0.13 0.00 99.87 0.01 0.00 0.09 99.74 0.16 0.00 0.00 0.00 30 E H H 97.78 4.18 25.71 29.76 91.68 48.41 -65.90 -40.14 0.04 0.00 99.96 0.00 0.00 0.02 99.86 0.11 0.00 0.00 0.00 31 A H H 2.85 23.87 17.46 41.69 91.47 51.27 -63.44 -42.95 0.06 0.00 99.94 0.00 0.00 0.03 99.93 0.04 0.00 0.00 0.00 32 I H H 26.93 18.99 20.71 38.92 91.49 50.72 -62.76 -42.36 0.08 0.00 99.92 0.00 0.00 0.05 99.91 0.03 0.00 0.00 0.00 33 A H H 55.24 3.10 25.20 27.45 91.22 51.13 -63.05 -41.81 0.18 0.00 99.82 0.01 0.00 0.15 99.69 0.16 0.00 0.00 0.00 34 I H H 41.65 12.20 21.11 33.87 91.75 50.08 -64.37 -41.84 0.57 0.00 99.43 0.02 0.01 0.47 98.62 0.87 0.00 0.00 0.00 35 L H H 4.02 25.62 14.17 40.11 91.14 52.35 -65.26 -36.56 2.16 0.00 97.84 0.10 0.09 1.83 94.55 3.42 0.00 0.00 0.00 36 K H H 120.52 7.48 19.55 28.12 90.64 59.73 -66.01 -24.63 26.31 0.02 73.67 0.46 0.58 26.42 69.64 2.86 0.01 0.01 0.02 37 L C T 113.05 3.06 19.44 22.63 94.27 52.99 -88.39 -6.21 53.42 0.05 46.52 1.37 2.15 49.17 44.70 2.54 0.01 0.02 0.04 38 T C S 29.81 17.75 9.50 26.49 119.82 93.06 -85.99 145.29 97.63 0.44 1.92 42.73 52.59 2.09 1.79 0.27 0.00 0.10 0.42 39 N C C 133.09 1.46 18.82 19.84 97.99 -140.18 -85.55 20.34 98.41 0.72 0.86 77.50 17.47 3.32 0.39 0.40 0.00 0.25 0.67 40 K C S 80.73 11.97 13.51 26.13 120.30 113.81 -91.18 144.78 89.34 2.32 8.34 40.37 42.51 6.28 4.68 2.93 0.01 0.56 2.67 41 A C T 66.43 6.25 21.08 27.91 94.29 -120.39 -64.59 -29.45 84.06 0.41 15.54 3.88 14.82 66.10 5.88 8.71 0.01 0.18 0.42 42 S C T 12.58 20.85 16.73 36.94 95.37 51.88 -84.65 -8.31 76.34 0.23 23.42 8.61 7.00 60.02 14.83 9.20 0.01 0.09 0.24 43 S H H 11.80 20.39 17.06 37.50 92.50 94.71 -60.27 -40.51 7.89 0.04 92.08 4.76 1.19 1.82 90.83 1.38 0.00 0.01 0.01 44 P H H 67.66 5.78 25.31 31.47 91.22 54.45 -63.75 -38.48 1.56 0.00 98.44 0.44 0.12 0.73 98.23 0.46 0.00 0.00 0.00 45 V H H 31.57 14.03 23.85 37.81 91.81 49.90 -65.13 -42.02 0.32 0.00 99.68 0.07 0.02 0.17 99.52 0.22 0.00 0.00 0.00 46 I H H 1.35 27.52 20.63 48.62 91.22 49.70 -64.04 -43.03 0.07 0.00 99.93 0.01 0.00 0.03 99.92 0.03 0.00 0.00 0.00 47 E H H 50.75 16.86 23.78 39.30 91.26 51.86 -62.45 -42.21 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 48 K H H 109.08 3.97 27.94 32.21 91.53 50.14 -64.37 -41.42 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 49 V H H 10.44 19.78 23.10 42.56 91.47 49.51 -63.95 -43.76 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 50 L H H 1.83 27.08 21.51 48.77 91.17 48.99 -63.70 -42.90 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 51 M H H 85.80 9.10 26.67 36.08 91.46 50.35 -63.67 -41.83 0.15 0.00 99.85 0.01 0.00 0.10 99.87 0.01 0.00 0.00 0.00 52 S H H 42.15 6.36 26.80 34.01 91.72 49.85 -64.46 -42.08 0.44 0.00 99.56 0.04 0.02 0.31 99.60 0.02 0.00 0.00 0.00 53 A H H 3.81 22.58 21.21 43.77 91.54 49.82 -64.09 -42.75 0.52 0.00 99.48 0.07 0.04 0.35 99.49 0.05 0.00 0.00 0.00 54 L H H 21.93 19.30 22.21 40.73 91.43 50.28 -63.05 -42.59 0.34 0.00 99.66 0.05 0.02 0.21 99.65 0.07 0.00 0.00 0.00 55 A H H 51.55 3.38 25.71 28.60 91.32 50.34 -62.77 -42.47 0.57 0.00 99.43 0.06 0.03 0.37 99.44 0.10 0.00 0.00 0.00 56 N H H 50.34 8.16 22.65 31.63 92.05 48.64 -65.59 -40.46 1.33 0.00 98.67 0.12 0.09 0.95 98.63 0.21 0.00 0.00 0.00 57 A H H 4.60 21.06 13.88 35.59 91.61 51.43 -64.42 -41.75 1.96 0.01 98.03 0.23 0.17 1.34 97.77 0.47 0.00 0.00 0.00 58 E H H 91.85 8.47 17.14 26.34 92.38 50.21 -65.27 -40.01 5.28 0.02 94.70 0.57 0.46 4.06 94.10 0.77 0.01 0.01 0.01 59 H H H 146.76 1.11 18.31 17.82 95.03 43.40 -71.90 -38.57 13.14 0.02 86.84 0.50 0.81 11.72 86.06 0.87 0.02 0.01 0.01 60 N H H 92.80 5.12 15.27 21.41 99.80 32.80 -91.59 -27.19 36.16 0.06 63.78 1.40 2.94 30.58 64.07 0.93 0.02 0.01 0.04 61 Y C S 82.48 11.49 11.34 23.52 106.84 26.42 -115.82 9.37 77.57 0.39 22.03 14.93 31.51 29.64 21.78 1.64 0.01 0.11 0.38 62 D C C 131.67 0.72 18.22 17.01 94.50 -121.62 55.38 40.60 99.66 0.08 0.26 62.38 15.96 21.33 0.07 0.17 0.00 0.04 0.06 63 M C C 38.20 17.23 8.85 25.41 123.82 143.96 -100.65 148.84 99.69 0.23 0.08 88.43 10.88 0.31 0.03 0.04 0.00 0.06 0.25 64 N C C 89.99 3.02 22.79 24.86 108.52 -119.59 -83.16 118.77 99.86 0.10 0.04 99.47 0.38 0.06 0.01 0.01 0.00 0.03 0.03 65 T H G 37.19 20.21 11.79 31.24 92.61 -148.83 -63.53 -28.55 10.15 0.10 89.75 0.70 0.85 6.75 0.40 91.23 0.00 0.06 0.00 66 D H G 103.32 3.97 20.39 25.21 90.77 65.08 -70.89 -15.41 10.61 0.11 89.28 0.36 0.76 7.83 0.36 90.62 0.00 0.07 0.00 67 E H G 87.13 8.07 20.34 29.34 97.27 56.07 -95.90 2.07 10.68 0.40 88.92 1.27 1.43 6.10 0.42 90.44 0.00 0.32 0.01 68 L E E 7.23 25.21 13.32 38.83 118.70 100.86 -93.80 134.81 19.34 80.59 0.07 17.13 2.04 0.10 0.02 0.05 0.00 80.20 0.46 69 V E E 39.64 10.41 26.76 37.91 122.84 -166.03 -119.73 133.49 1.03 98.96 0.00 0.92 0.05 0.00 0.00 0.00 0.00 98.96 0.06 70 V E E 14.76 23.60 16.40 40.19 110.25 -129.44 -82.79 120.78 0.32 99.68 0.00 0.30 0.00 0.00 0.00 0.00 0.00 99.68 0.01 71 K E E 92.33 7.42 22.88 31.03 100.31 176.61 -92.81 -34.59 1.65 98.35 0.00 0.99 0.41 0.02 0.00 0.00 0.00 98.58 0.01 72 E E E 81.66 6.39 24.98 32.30 139.61 0.93 -153.89 148.62 0.82 99.17 0.00 0.51 0.13 0.01 0.00 0.00 0.00 99.34 0.00 73 A E E 13.57 24.40 14.53 38.49 129.52 -170.46 -133.86 139.14 0.59 99.40 0.00 0.50 0.03 0.00 0.00 0.00 0.00 99.47 0.00 74 Y E E 82.94 8.18 26.36 35.21 130.84 -173.90 -134.84 143.60 0.34 99.66 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.69 0.01 75 A E E 22.38 21.71 15.27 36.22 124.55 -162.89 -119.00 136.93 2.89 97.10 0.00 2.60 0.12 0.01 0.00 0.00 0.00 97.22 0.06 76 N E E 62.65 8.84 21.45 30.68 126.44 -170.81 -121.25 145.61 18.92 81.05 0.03 15.40 2.85 0.16 0.00 0.02 0.00 81.17 0.39 77 E E E 109.26 9.21 17.82 27.66 114.94 -118.23 -86.67 134.58 40.72 59.20 0.08 34.90 4.75 0.32 0.02 0.07 0.00 58.07 1.87 78 G C C 19.78 14.11 12.16 26.47 127.19 -138.62 -87.31 172.96 66.61 33.29 0.11 54.84 10.17 0.60 0.02 0.10 0.00 33.26 1.01 79 P C C 82.57 4.62 17.35 22.63 113.71 -78.32 -70.46 151.39 64.11 35.62 0.27 42.87 19.10 1.82 0.04 0.27 0.00 35.14 0.76 80 T E E 78.21 8.36 12.31 21.87 119.24 -123.50 -101.95 137.52 31.59 67.93 0.48 25.71 5.57 0.90 0.16 0.35 0.00 65.46 1.85 81 L E E 84.81 7.52 11.28 20.54 120.20 -153.22 -108.04 135.94 18.38 81.30 0.32 16.32 1.79 0.32 0.13 0.17 0.00 79.85 1.41 82 K E E 132.51 4.15 12.41 18.63 118.68 -145.66 -100.96 133.84 15.44 84.36 0.20 13.89 1.16 0.21 0.07 0.10 0.00 83.75 0.83 83 R E E 133.61 5.33 11.06 18.32 122.99 -166.10 -114.97 140.14 21.03 78.77 0.20 19.24 1.36 0.22 0.08 0.10 0.00 78.08 0.92 84 F E E 122.72 5.39 9.11 16.53 117.92 -136.93 -98.79 135.13 32.38 67.29 0.33 29.97 1.81 0.30 0.16 0.17 0.00 64.79 2.81 85 R C C 149.35 2.88 10.88 15.57 119.34 -155.99 -109.23 134.73 59.46 39.83 0.70 54.94 3.09 0.48 0.34 0.33 0.00 39.45 1.35 86 P C C 93.60 3.56 8.37 13.97 113.05 -111.78 -71.34 142.71 51.34 33.28 15.37 38.83 7.09 5.98 6.29 8.79 0.02 30.41 2.59 87 R C C 158.94 2.42 7.83 12.06 113.78 -149.00 -98.74 146.17 53.71 12.40 33.90 32.87 11.21 11.06 8.58 24.29 0.03 10.05 1.91 88 A H G 91.12 1.20 7.24 9.44 115.08 -66.22 -91.62 135.45 43.95 11.11 44.94 15.06 12.94 19.89 6.39 35.08 0.16 8.27 2.20 89 Q C T 161.62 0.49 8.61 8.66 99.03 -8.33 17.73 40.97 60.60 1.94 37.46 8.50 13.85 38.18 4.28 33.09 0.03 1.13 0.94 90 G C T 65.07 0.71 8.85 9.72 99.21 -52.42 81.46 1.32 82.34 1.82 15.84 9.81 25.73 47.21 1.90 13.51 0.01 1.11 0.73 91 R C C 155.71 1.81 8.63 12.06 120.95 104.67 -103.23 144.97 67.43 23.40 9.17 31.76 22.37 15.31 2.32 6.36 0.12 16.64 5.13 92 A C C 73.61 4.33 8.30 14.67 116.38 -134.86 -90.53 141.02 59.85 34.89 5.27 42.43 11.52 6.34 1.77 3.73 0.03 29.61 4.58 93 S C C 61.15 5.02 10.98 17.87 123.97 -168.22 -115.83 147.39 56.66 40.96 2.38 42.55 10.63 3.71 0.69 1.64 0.00 39.25 1.54 94 A E E 69.80 5.11 11.97 18.91 114.89 -114.26 -82.62 137.32 45.64 53.52 0.85 38.75 4.97 1.18 0.27 0.50 0.00 53.37 0.95 95 I E E 85.36 8.12 11.61 21.15 117.30 -161.31 -108.16 136.33 24.63 75.03 0.34 22.59 1.62 0.34 0.15 0.16 0.00 73.50 1.64 96 N E E 85.30 7.03 13.31 21.83 117.70 -147.76 -105.96 130.37 18.04 81.72 0.24 16.14 1.43 0.29 0.10 0.12 0.00 80.12 1.80 97 K E E 105.93 8.86 14.35 24.45 124.60 -172.79 -120.44 138.13 31.04 68.73 0.22 26.53 3.57 0.38 0.07 0.12 0.00 68.52 0.80 98 R E E 107.26 10.03 15.92 26.65 122.07 -150.64 -107.75 139.09 37.50 62.25 0.25 34.31 2.44 0.33 0.08 0.13 0.00 61.77 0.93 99 T E E 52.95 11.44 18.15 30.09 126.00 -160.29 -116.03 146.36 32.68 67.07 0.25 30.98 1.38 0.21 0.11 0.12 0.00 65.41 1.79 100 S E E 15.07 18.63 15.90 34.59 126.35 -155.02 -119.25 146.99 24.60 75.14 0.26 22.76 1.52 0.21 0.12 0.12 0.00 74.29 0.97 101 H E E 70.34 10.24 22.97 33.59 120.07 -148.39 -110.26 131.82 15.54 84.22 0.24 13.18 1.84 0.18 0.10 0.09 0.00 84.36 0.26 102 I E E 13.39 22.47 17.51 39.90 122.27 -163.15 -114.63 131.97 4.73 94.87 0.41 4.41 0.22 0.05 0.36 0.07 0.00 94.76 0.13 103 T E E 32.73 11.00 25.26 37.09 121.37 -164.79 -114.78 131.28 1.18 98.73 0.08 1.09 0.05 0.01 0.07 0.01 0.00 98.73 0.04 104 I E E 9.71 23.30 19.15 42.56 119.65 -162.09 -111.70 128.31 0.73 99.16 0.11 0.67 0.02 0.01 0.11 0.01 0.00 99.15 0.02 105 V E E 30.08 11.57 25.72 38.26 120.38 -166.80 -114.40 129.42 1.27 98.63 0.10 1.21 0.04 0.01 0.11 0.01 0.00 98.57 0.05 106 V E E 13.10 21.83 18.78 40.67 119.61 -160.42 -108.62 129.43 6.43 92.72 0.85 5.77 0.40 0.13 0.87 0.16 0.00 92.45 0.23 107 S E E 24.31 11.26 21.34 33.48 135.89 170.66 -136.82 164.65 28.74 68.51 2.75 25.14 2.64 0.60 2.18 0.62 0.00 68.07 0.76 108 D C C 59.85 9.86 18.99 29.35 107.84 -103.84 -76.80 127.67 59.03 28.83 12.14 45.77 9.42 2.76 10.25 2.30 0.02 27.82 1.64 109 A H H 44.68 10.33 15.54 26.77 97.62 -125.15 -68.84 -27.13 47.11 1.97 50.92 35.69 6.31 5.54 45.99 4.69 0.01 1.39 0.40 110 K H H 111.98 5.34 15.84 22.31 94.15 66.67 -65.87 -38.34 26.28 0.84 72.88 17.82 4.46 5.54 64.44 6.99 0.01 0.53 0.22 111 E H H 101.54 3.95 15.54 20.41 93.28 52.73 -67.71 -38.67 18.46 0.73 80.81 11.37 3.38 5.15 71.48 7.93 0.01 0.48 0.19 112 E H H 86.56 6.33 13.86 21.66 93.69 51.65 -68.59 -37.03 18.30 0.72 80.98 10.79 3.26 5.50 71.88 7.89 0.02 0.47 0.20 113 A H H 48.39 8.04 11.30 20.84 93.61 54.46 -68.80 -33.44 24.64 0.67 74.69 12.68 4.63 8.51 67.38 6.16 0.03 0.36 0.25 114 K H H 139.74 2.35 12.57 15.96 94.86 55.07 -74.80 -23.91 39.28 0.96 59.77 18.70 6.73 15.25 53.76 4.62 0.03 0.45 0.45 115 E C C 131.92 2.61 10.87 14.83 101.48 68.23 -79.79 -5.06 62.56 0.63 36.81 43.07 2.32 15.92 35.70 2.37 0.00 0.26 0.37 116 A C C 74.27 4.39 11.71 17.59 105.29 60.91 -79.00 88.42 99.82 0.02 0.16 99.57 0.10 0.17 0.13 0.00 0.00 0.01 0.00