# 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 88.36 10.96 15.55 26.77 117.21 -155.55 -96.73 132.21 99.81 0.19 0.00 99.82 0.05 0.01 0.00 0.00 0.00 0.11 0.01 1 E C C 107.35 7.49 17.22 25.64 119.15 -155.20 -103.02 132.82 64.96 34.54 0.50 61.63 1.37 0.77 0.16 0.24 0.00 34.71 1.11 2 A E E 23.97 17.68 13.91 31.31 127.96 -165.05 -120.54 145.50 38.65 60.94 0.41 33.33 3.60 0.70 0.10 0.24 0.00 61.47 0.57 3 K E E 91.83 9.93 22.17 32.53 130.11 -169.08 -131.47 143.74 13.50 86.30 0.20 12.00 1.31 0.22 0.07 0.09 0.00 85.83 0.48 4 A E E 14.84 21.35 16.82 37.60 130.83 -169.29 -130.12 144.78 7.76 92.12 0.12 7.13 0.51 0.09 0.04 0.04 0.00 91.96 0.24 5 V E E 53.71 10.84 23.88 35.06 126.23 -164.97 -127.11 135.95 5.88 94.04 0.08 5.50 0.37 0.05 0.03 0.02 0.00 93.73 0.29 6 A E E 18.57 20.25 15.44 35.22 119.74 -153.66 -106.97 133.91 11.84 87.93 0.23 11.41 0.56 0.11 0.07 0.09 0.00 87.43 0.32 7 R E E 125.71 6.70 21.48 28.83 102.46 -169.79 -93.58 -31.26 26.53 73.22 0.25 12.09 13.32 1.39 0.03 0.20 0.00 72.74 0.23 8 T E E 68.11 8.37 22.16 30.64 125.18 5.79 -142.73 130.81 17.90 81.90 0.21 13.03 4.07 0.75 0.03 0.15 0.00 81.68 0.29 9 I E E 20.75 22.33 14.71 36.65 121.97 -172.88 -118.14 128.39 16.93 82.91 0.16 16.09 0.99 0.14 0.06 0.08 0.00 81.36 1.27 10 R C E 129.49 6.05 24.72 31.26 110.82 -153.67 -96.35 115.03 52.21 47.70 0.08 39.96 11.37 0.34 0.03 0.06 0.00 47.44 0.80 11 I C C 16.56 22.03 13.82 35.65 131.50 149.28 -130.55 150.60 81.93 17.99 0.08 67.93 15.41 0.19 0.05 0.05 0.00 13.71 2.67 12 A C C 40.60 6.22 22.14 28.98 115.41 -103.75 -69.34 149.11 99.73 0.23 0.04 99.54 0.28 0.02 0.03 0.00 0.00 0.10 0.03 13 P H H 52.87 15.14 14.99 30.18 91.64 -116.46 -57.76 -37.96 2.84 0.01 97.15 0.52 0.30 1.76 96.34 1.06 0.00 0.00 0.00 14 R H H 147.46 2.85 21.88 24.90 91.48 55.07 -63.48 -39.20 1.30 0.00 98.70 0.16 0.10 0.90 97.68 1.15 0.00 0.00 0.00 15 K H H 68.92 12.30 20.73 32.85 92.13 48.83 -66.90 -38.93 0.86 0.01 99.13 0.21 0.08 0.48 97.98 1.24 0.00 0.01 0.00 16 V H H 3.06 26.00 16.35 42.74 91.36 52.39 -63.36 -42.61 0.35 0.00 99.65 0.08 0.03 0.16 99.59 0.14 0.00 0.00 0.00 17 R H H 100.18 11.34 23.15 34.15 91.27 52.40 -62.09 -41.22 0.17 0.00 99.83 0.03 0.01 0.08 99.84 0.04 0.00 0.00 0.00 18 L H H 63.59 6.76 25.06 32.26 91.66 50.77 -64.10 -42.04 0.13 0.00 99.87 0.01 0.00 0.07 99.87 0.04 0.00 0.00 0.00 19 V H H 4.20 24.54 21.23 45.58 91.85 49.21 -64.33 -43.77 0.14 0.00 99.86 0.01 0.00 0.10 99.83 0.06 0.00 0.00 0.00 20 L H H 6.90 24.59 20.10 44.32 91.41 50.64 -62.85 -41.30 0.19 0.00 99.81 0.01 0.01 0.15 99.66 0.18 0.00 0.00 0.00 21 D H H 83.99 5.37 25.44 31.49 91.10 53.16 -64.74 -35.61 1.21 0.00 98.79 0.03 0.03 1.19 97.68 1.08 0.00 0.00 0.00 22 L H H 50.83 12.54 22.51 35.12 91.67 53.88 -69.62 -27.81 4.44 0.00 95.56 0.05 0.08 4.85 93.60 1.41 0.00 0.00 0.00 23 I H H 2.81 26.17 15.60 42.73 95.58 49.03 -88.45 -15.78 24.17 0.04 75.80 0.76 1.12 22.55 73.67 1.83 0.03 0.01 0.04 24 R C T 100.80 13.89 17.53 31.49 112.18 115.03 -62.61 131.22 96.95 0.06 2.99 0.27 0.58 96.43 2.47 0.18 0.00 0.02 0.05 25 G C T 52.77 3.00 21.47 25.05 94.26 17.86 83.96 -2.63 99.51 0.01 0.48 0.15 0.79 98.61 0.39 0.04 0.00 0.00 0.00 26 K C C 62.83 13.75 15.75 29.92 123.86 122.80 -87.61 153.77 99.64 0.34 0.02 52.14 47.47 0.13 0.01 0.01 0.00 0.12 0.12 27 N E B 68.30 6.36 24.50 31.19 118.42 -106.74 -73.32 153.20 9.05 90.93 0.02 6.90 0.11 0.00 0.02 0.00 0.00 3.73 89.23 28 A H H 6.88 24.35 14.93 39.59 91.23 -111.66 -57.56 -39.97 0.46 0.00 99.54 0.04 0.03 0.32 99.38 0.23 0.00 0.00 0.00 29 A H H 53.52 8.12 23.16 31.54 91.62 53.29 -62.93 -40.73 0.13 0.00 99.87 0.01 0.00 0.09 99.73 0.16 0.00 0.00 0.00 30 E H H 97.52 4.25 25.64 29.77 91.68 48.46 -65.90 -40.08 0.04 0.00 99.96 0.00 0.00 0.02 99.85 0.11 0.00 0.00 0.00 31 A H H 2.71 24.01 17.38 41.77 91.45 51.20 -63.44 -42.92 0.06 0.00 99.94 0.00 0.00 0.03 99.92 0.04 0.00 0.00 0.00 32 I H H 27.48 18.90 20.76 38.88 91.45 50.67 -62.78 -42.32 0.08 0.00 99.92 0.01 0.00 0.05 99.90 0.04 0.00 0.00 0.00 33 A H H 55.19 3.08 25.20 27.40 91.21 51.08 -62.97 -41.85 0.19 0.00 99.81 0.01 0.00 0.16 99.67 0.17 0.00 0.00 0.00 34 I H H 41.46 12.21 21.07 33.85 91.75 50.07 -64.37 -41.83 0.59 0.00 99.41 0.02 0.01 0.49 98.59 0.89 0.00 0.00 0.00 35 L H H 4.02 25.59 14.11 40.02 91.16 52.40 -65.32 -36.34 2.15 0.00 97.85 0.10 0.09 1.82 94.58 3.41 0.00 0.00 0.00 36 K H H 120.78 7.42 19.46 28.00 90.71 60.01 -66.10 -24.57 25.85 0.02 74.13 0.45 0.57 26.01 70.05 2.89 0.01 0.01 0.02 37 L C T 113.31 3.03 19.30 22.47 94.29 53.48 -87.76 -6.44 52.47 0.05 47.47 1.37 2.16 48.22 45.62 2.56 0.01 0.02 0.04 38 T C S 30.92 17.45 9.58 26.32 119.82 91.43 -87.12 145.89 97.39 0.41 2.20 42.25 52.51 2.36 2.07 0.30 0.00 0.09 0.41 39 N C C 133.57 1.43 18.70 19.70 97.87 -140.76 -86.22 22.72 98.52 0.56 0.92 74.94 19.56 3.94 0.40 0.45 0.00 0.20 0.51 40 K C S 80.57 11.88 13.49 26.07 120.21 114.63 -91.02 144.53 89.53 2.01 8.46 39.84 43.17 6.40 4.80 2.95 0.00 0.48 2.35 41 A C T 66.74 6.08 21.14 27.83 94.00 -120.62 -64.36 -29.60 82.71 0.39 16.89 4.08 15.03 64.31 6.85 9.14 0.01 0.17 0.41 42 S C T 11.89 21.04 16.60 37.04 95.09 52.60 -83.88 -10.14 74.67 0.24 25.09 8.66 6.96 58.21 16.46 9.36 0.01 0.10 0.24 43 S H H 11.90 20.33 17.06 37.45 92.28 92.84 -60.10 -40.42 7.72 0.04 92.24 4.54 1.16 1.89 90.94 1.45 0.00 0.01 0.01 44 P H H 67.87 5.64 25.35 31.38 91.22 54.53 -63.82 -38.34 1.67 0.00 98.32 0.47 0.14 0.81 98.05 0.53 0.00 0.00 0.00 45 V H H 30.86 14.11 23.79 37.82 91.79 50.00 -65.23 -41.99 0.37 0.00 99.63 0.08 0.03 0.19 99.45 0.26 0.00 0.00 0.00 46 I H H 1.30 27.62 20.54 48.65 91.20 49.70 -64.00 -43.02 0.08 0.00 99.92 0.01 0.00 0.04 99.91 0.04 0.00 0.00 0.00 47 E H H 52.20 16.72 23.79 39.16 91.25 51.89 -62.42 -42.32 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 109.29 3.90 27.91 32.09 91.54 50.12 -64.34 -41.44 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 10.22 19.81 23.03 42.53 91.55 49.47 -63.98 -43.72 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 50 L H H 1.87 27.06 21.45 48.68 91.19 49.02 -63.67 -42.80 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 51 M H H 86.34 8.97 26.67 35.98 91.50 50.32 -63.70 -41.81 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 42.11 6.38 26.73 33.95 91.73 49.81 -64.46 -42.03 0.47 0.00 99.53 0.04 0.02 0.34 99.56 0.03 0.00 0.00 0.00 53 A H H 3.81 22.59 21.14 43.71 91.60 49.86 -64.02 -42.79 0.57 0.00 99.43 0.08 0.04 0.38 99.44 0.06 0.00 0.00 0.00 54 L H H 22.41 19.21 22.19 40.63 91.44 50.32 -63.04 -42.66 0.35 0.00 99.65 0.05 0.02 0.21 99.63 0.08 0.00 0.00 0.00 55 A H H 51.64 3.36 25.67 28.50 91.36 50.39 -62.82 -42.44 0.61 0.00 99.39 0.06 0.03 0.40 99.39 0.12 0.00 0.00 0.00 56 N H H 50.27 8.20 22.54 31.56 92.05 48.62 -65.61 -40.42 1.44 0.00 98.55 0.13 0.10 1.03 98.50 0.24 0.00 0.00 0.00 57 A H H 4.81 20.91 13.81 35.37 91.63 51.56 -64.48 -41.70 2.12 0.01 97.87 0.26 0.19 1.46 97.56 0.52 0.00 0.00 0.00 58 E H H 93.26 8.19 17.10 26.06 92.39 50.18 -65.34 -39.91 5.65 0.03 94.32 0.61 0.50 4.37 93.67 0.80 0.02 0.01 0.01 59 H H H 146.57 1.12 18.15 17.73 95.22 43.68 -72.14 -38.27 13.89 0.03 86.08 0.56 0.90 12.34 85.23 0.92 0.02 0.01 0.02 60 N H H 93.16 5.10 15.17 21.29 100.24 32.62 -92.14 -26.30 36.66 0.06 63.28 1.43 3.02 30.98 63.52 0.97 0.03 0.02 0.05 61 Y C S 83.10 11.40 11.30 23.38 107.68 25.62 -117.42 11.29 76.56 0.43 23.01 15.17 32.25 27.69 22.72 1.63 0.02 0.11 0.41 62 D C C 131.84 0.72 18.15 16.90 94.53 -121.24 54.32 40.52 99.65 0.08 0.27 63.80 16.24 19.60 0.07 0.18 0.00 0.04 0.06 63 M C C 38.70 17.18 8.76 25.27 123.29 142.32 -101.75 148.76 99.62 0.28 0.10 88.36 10.84 0.35 0.03 0.05 0.00 0.08 0.28 64 N C C 89.96 3.08 22.54 24.81 107.97 -120.07 -84.28 115.95 99.82 0.13 0.05 99.39 0.42 0.08 0.01 0.02 0.00 0.04 0.04 65 T H G 35.94 20.42 11.55 31.22 92.82 -155.56 -64.57 -26.74 11.05 0.14 88.81 1.04 1.00 6.97 0.44 90.44 0.00 0.10 0.01 66 D H G 104.27 3.78 20.27 25.00 90.84 65.28 -71.71 -15.15 11.56 0.15 88.29 0.48 0.92 8.30 0.37 89.83 0.00 0.10 0.01 67 E H G 90.12 7.59 20.30 28.80 97.31 56.42 -96.49 1.80 11.63 0.51 87.87 1.62 1.67 6.31 0.43 89.54 0.00 0.41 0.02 68 L E E 7.79 25.07 13.01 38.31 118.72 103.71 -91.26 135.62 22.89 77.02 0.09 20.07 2.57 0.12 0.02 0.06 0.00 76.72 0.45 69 V E E 40.93 10.08 26.71 37.57 122.59 -165.17 -119.38 133.60 1.05 98.95 0.00 0.94 0.05 0.00 0.00 0.00 0.00 98.94 0.07 70 V E E 14.82 23.65 16.16 40.04 110.31 -129.89 -83.25 120.52 0.30 99.70 0.00 0.28 0.00 0.00 0.00 0.00 0.00 99.70 0.01 71 K E E 93.12 7.23 22.81 30.78 100.38 176.46 -92.83 -34.43 1.54 98.46 0.00 0.94 0.36 0.02 0.00 0.00 0.00 98.67 0.01 72 E E E 82.76 6.23 24.91 32.05 139.12 0.99 -153.98 148.82 0.93 99.07 0.00 0.58 0.16 0.01 0.00 0.00 0.00 99.25 0.00 73 A E E 14.12 24.39 14.32 38.23 129.66 -170.80 -134.01 139.87 0.74 99.26 0.00 0.62 0.03 0.00 0.00 0.00 0.00 99.33 0.00 74 Y E E 83.88 8.08 26.36 35.14 131.39 -174.18 -135.52 144.91 0.38 99.62 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.65 0.01 75 A E E 23.18 21.60 15.19 36.00 124.56 -162.58 -118.69 137.58 3.18 96.82 0.00 2.85 0.14 0.01 0.00 0.00 0.00 96.92 0.08 76 N E E 63.15 8.85 21.21 30.47 125.46 -169.69 -118.06 146.64 22.34 77.63 0.03 17.76 3.94 0.22 0.00 0.03 0.00 77.62 0.44 77 E E E 111.71 8.67 17.78 27.22 115.35 -116.42 -86.60 134.98 46.41 53.50 0.09 38.71 6.55 0.44 0.02 0.09 0.00 52.28 1.90 78 G C C 20.34 14.08 11.91 26.18 126.80 -138.17 -86.69 171.81 70.39 29.50 0.11 57.69 11.27 0.67 0.02 0.12 0.00 29.12 1.11 79 P C C 83.60 4.46 17.22 22.35 113.42 -78.20 -69.92 151.09 69.11 30.55 0.35 46.11 20.54 2.26 0.05 0.34 0.00 29.78 0.92 80 T E E 80.07 8.16 12.19 21.59 118.85 -124.08 -99.32 137.26 39.18 60.11 0.71 30.03 8.69 1.44 0.23 0.54 0.00 56.41 2.65 81 L E E 85.44 7.35 11.18 20.29 120.05 -151.37 -106.76 136.22 26.83 72.68 0.49 23.20 3.20 0.57 0.20 0.29 0.00 70.44 2.09 82 K E E 134.25 4.05 12.39 18.52 117.34 -141.00 -98.71 132.58 24.24 75.49 0.27 21.91 1.76 0.30 0.09 0.15 0.00 74.76 1.02 83 R E E 131.68 5.36 11.13 18.43 123.27 -166.94 -115.10 142.38 26.41 73.39 0.21 24.17 1.75 0.26 0.07 0.12 0.00 72.52 1.12 84 F E E 125.40 5.27 9.23 16.54 117.46 -132.85 -96.91 135.36 29.76 69.99 0.25 27.38 1.70 0.26 0.11 0.14 0.00 67.00 3.41 85 R E E 146.16 3.03 10.99 15.89 120.66 -160.22 -112.53 136.86 45.68 54.00 0.32 41.86 2.69 0.32 0.13 0.18 0.00 53.40 1.42 86 P E E 94.37 3.49 8.56 14.11 113.32 -111.10 -71.62 141.17 45.47 49.76 4.77 38.72 4.25 2.32 2.14 2.88 0.00 45.62 4.06 87 R C C 149.58 2.93 7.76 12.58 114.18 -152.99 -98.34 152.24 65.41 12.48 22.11 48.11 9.16 8.26 4.67 17.48 0.01 10.48 1.83 88 A C G 94.21 0.98 7.51 9.22 112.56 -66.53 -84.18 139.46 49.73 10.63 39.64 11.45 13.70 27.13 3.28 34.38 0.10 7.70 2.25 89 Q C T 161.43 0.48 8.65 8.64 99.44 -1.08 29.23 32.19 63.58 1.33 35.09 5.93 12.52 43.57 2.24 34.31 0.01 0.77 0.64 90 G C T 64.27 0.81 8.90 10.01 99.39 -62.38 82.46 1.88 83.07 1.87 15.06 10.58 34.78 37.92 1.38 13.46 0.01 1.05 0.81 91 R C C 152.67 1.90 8.77 12.34 121.50 109.50 -102.82 145.63 72.22 22.21 5.57 39.95 22.78 10.71 1.43 4.13 0.05 15.43 5.51 92 A C C 73.12 4.56 8.51 15.12 116.94 -131.66 -90.19 141.93 57.61 38.72 3.68 42.19 11.14 4.75 1.26 2.74 0.03 31.73 6.16 93 S C C 59.38 5.29 11.28 18.43 124.84 -169.30 -118.58 149.17 55.03 43.30 1.67 42.30 9.98 2.93 0.45 1.21 0.00 41.55 1.56 94 A E E 69.64 5.24 12.29 19.32 115.29 -113.74 -83.44 137.82 43.69 55.78 0.54 37.42 4.69 0.86 0.17 0.34 0.00 55.49 1.05 95 I E E 79.57 8.86 11.69 21.95 120.07 -159.92 -110.14 135.36 25.34 74.44 0.22 23.40 1.48 0.25 0.10 0.11 0.00 72.09 2.57 96 N E E 85.62 7.22 13.67 22.36 116.15 -145.00 -101.23 125.36 24.69 75.13 0.18 22.32 1.57 0.25 0.08 0.10 0.00 72.00 3.69 97 K C E 104.09 9.08 14.63 24.76 123.07 -172.42 -114.40 137.26 50.32 49.46 0.22 40.68 8.20 0.60 0.06 0.16 0.00 49.15 1.15 98 R C C 112.29 9.55 16.54 26.63 120.23 -141.56 -99.65 137.41 57.69 42.11 0.20 48.90 7.20 0.61 0.04 0.16 0.00 42.01 1.08 99 T E E 50.69 12.16 18.09 30.57 126.80 -159.83 -116.45 147.08 41.10 58.75 0.16 38.24 2.02 0.23 0.04 0.10 0.00 57.40 1.97 100 S E E 13.96 18.80 16.29 35.24 126.73 -157.99 -120.50 146.91 20.99 78.94 0.07 19.46 1.23 0.11 0.02 0.04 0.00 78.12 1.02 101 H E E 68.09 10.48 23.30 34.16 120.74 -150.13 -111.65 133.44 10.61 89.35 0.04 9.11 1.04 0.06 0.01 0.02 0.00 89.58 0.19 102 I E E 11.43 22.91 17.75 40.72 122.22 -162.95 -114.60 131.84 2.84 97.13 0.03 2.66 0.09 0.01 0.01 0.00 0.00 97.18 0.05 103 T E E 31.81 11.14 25.49 37.47 121.10 -164.47 -114.40 130.95 0.66 99.33 0.01 0.60 0.02 0.00 0.01 0.00 0.00 99.36 0.01 104 I E E 7.72 23.84 19.22 43.33 120.09 -163.57 -113.54 128.64 0.31 99.68 0.02 0.28 0.01 0.00 0.01 0.00 0.00 99.69 0.01 105 V E E 29.26 11.51 26.25 38.82 120.01 -166.15 -113.49 128.86 0.46 99.51 0.02 0.44 0.01 0.00 0.02 0.00 0.00 99.51 0.01 106 V E E 9.85 22.94 18.93 42.00 119.68 -162.31 -110.07 130.95 2.82 96.98 0.20 2.55 0.15 0.04 0.21 0.04 0.00 96.91 0.10 107 S E E 22.74 11.22 22.05 34.24 135.49 172.88 -136.28 159.92 18.30 80.90 0.79 16.44 1.53 0.29 0.71 0.24 0.00 80.12 0.68 108 D C C 62.54 10.81 18.45 29.64 105.87 -110.39 -80.64 91.87 60.12 34.34 5.54 41.45 15.25 3.28 3.80 1.81 0.02 32.87 1.54 109 G C C 29.67 9.49 16.64 26.78 100.42 -102.07 56.96 -36.18 61.70 2.85 35.45 33.49 17.81 10.78 28.66 6.67 0.03 1.81 0.75 110 K H H 114.59 5.64 15.87 22.40 96.01 52.85 -70.69 -33.81 46.35 1.21 52.44 28.09 9.50 9.48 41.92 9.90 0.02 0.67 0.43 111 E H H 99.51 5.18 14.25 20.73 94.89 57.21 -69.06 -36.70 37.34 1.06 61.60 22.20 6.94 8.82 48.32 12.72 0.02 0.59 0.39 112 E H H 95.24 6.40 13.14 20.92 94.77 54.63 -71.04 -31.99 35.77 1.05 63.18 20.43 6.36 9.65 49.30 13.24 0.02 0.57 0.42 113 A H H 55.74 7.41 10.54 19.38 96.72 59.12 -73.95 -25.37 44.59 1.01 54.40 23.74 7.89 13.92 42.52 10.89 0.03 0.51 0.50 114 K C C 140.39 2.82 11.45 15.65 99.62 61.48 -80.28 -10.05 65.26 0.68 34.06 45.44 2.44 18.13 27.62 5.62 0.00 0.33 0.42 115 E C C 133.29 3.11 12.34 16.84 103.44 77.54 -79.67 28.10 99.74 0.02 0.24 99.31 0.16 0.32 0.19 0.01 0.00 0.01 0.00