# 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 87.51 10.78 15.88 26.92 117.07 -159.52 -96.95 132.95 99.88 0.12 0.00 99.88 0.04 0.01 0.00 0.00 0.00 0.07 0.00 1 E C C 103.92 8.03 17.29 26.16 120.75 -155.16 -106.23 137.75 55.06 44.74 0.20 52.41 1.22 0.41 0.06 0.11 0.00 44.82 0.97 2 A E E 19.67 18.21 14.32 32.43 129.34 -169.63 -125.64 147.89 24.15 75.71 0.14 21.23 1.99 0.28 0.04 0.08 0.00 75.96 0.42 3 K E E 89.42 9.90 23.06 33.30 129.12 -165.98 -128.49 143.07 7.61 92.33 0.06 6.92 0.57 0.07 0.02 0.03 0.00 92.10 0.29 4 A E E 10.81 22.26 16.92 38.79 130.06 -169.89 -129.33 145.55 5.07 94.89 0.04 4.67 0.33 0.04 0.01 0.01 0.00 94.80 0.13 5 I E E 59.43 10.65 24.70 35.71 124.76 -161.95 -125.06 134.05 4.38 95.58 0.03 4.12 0.24 0.03 0.01 0.01 0.00 95.38 0.20 6 A E E 13.81 21.59 15.44 36.62 118.66 -150.96 -103.45 132.22 11.48 88.37 0.15 11.19 0.46 0.09 0.05 0.07 0.00 87.86 0.28 7 R E E 117.69 7.17 22.43 29.92 113.96 -173.76 -105.12 -30.76 28.00 71.81 0.18 10.33 15.91 1.63 0.02 0.16 0.00 71.76 0.20 8 Y E E 128.79 7.34 22.78 30.16 103.70 9.08 58.18 45.97 17.38 82.46 0.15 11.80 4.93 0.87 0.02 0.13 0.00 81.95 0.30 9 V E E 14.29 23.07 13.79 36.60 116.52 164.86 -100.47 126.12 16.08 83.81 0.11 15.25 0.98 0.12 0.04 0.06 0.00 82.29 1.25 10 R C C 129.59 6.01 25.10 31.54 107.06 -151.88 -93.95 96.96 57.78 42.15 0.06 43.20 13.31 0.31 0.02 0.05 0.00 42.39 0.73 11 I C C 16.76 21.94 14.22 35.93 132.10 131.23 -131.77 151.52 85.96 13.98 0.06 69.55 17.85 0.18 0.03 0.04 0.00 10.00 2.34 12 S C C 40.66 6.47 22.48 29.47 116.16 -103.02 -70.15 150.09 99.80 0.18 0.02 99.63 0.24 0.01 0.01 0.00 0.00 0.08 0.03 13 P H H 53.33 15.26 15.30 30.53 91.65 -116.63 -58.09 -36.96 2.84 0.00 97.15 0.37 0.28 1.93 96.57 0.84 0.00 0.00 0.00 14 R H H 145.58 2.95 22.35 25.53 91.34 54.93 -63.39 -39.12 1.41 0.00 98.59 0.12 0.10 1.06 97.85 0.87 0.00 0.00 0.00 15 K H H 62.56 13.09 20.94 33.77 91.98 48.55 -66.77 -39.21 0.89 0.01 99.10 0.17 0.07 0.53 98.30 0.92 0.00 0.00 0.00 16 V H H 2.36 26.51 16.70 43.74 91.17 52.54 -63.46 -42.54 0.35 0.00 99.65 0.07 0.02 0.17 99.63 0.11 0.00 0.00 0.00 17 R H H 97.44 11.85 23.63 34.96 91.17 52.45 -62.17 -41.30 0.16 0.00 99.84 0.02 0.01 0.07 99.87 0.03 0.00 0.00 0.00 18 L H H 63.81 7.25 25.65 33.47 91.69 50.99 -64.45 -41.70 0.12 0.00 99.88 0.01 0.00 0.07 99.89 0.03 0.00 0.00 0.00 19 V H H 2.61 25.48 21.43 46.79 91.77 49.04 -64.48 -43.98 0.12 0.00 99.88 0.01 0.00 0.08 99.86 0.05 0.00 0.00 0.00 20 V H H 5.72 24.96 20.63 45.34 91.40 50.25 -62.92 -41.78 0.15 0.00 99.85 0.01 0.00 0.11 99.77 0.11 0.00 0.00 0.00 21 D H H 81.60 5.80 25.88 32.27 91.30 53.11 -64.66 -35.49 0.83 0.00 99.17 0.02 0.02 0.77 98.42 0.76 0.00 0.00 0.00 22 L H H 47.94 13.06 22.78 35.85 91.81 54.40 -69.00 -29.11 3.51 0.00 96.49 0.03 0.06 3.90 94.93 1.08 0.00 0.00 0.00 23 I H H 2.19 26.48 15.81 43.40 95.89 48.84 -88.90 -15.44 22.42 0.02 77.56 0.50 0.80 21.37 75.98 1.32 0.02 0.00 0.02 24 R C T 98.10 14.33 17.48 31.77 112.13 114.27 -62.51 131.79 98.16 0.05 1.79 0.25 0.52 97.78 1.27 0.12 0.00 0.01 0.04 25 G C T 52.80 2.94 21.50 24.99 94.14 17.10 84.73 -2.39 99.79 0.01 0.20 0.14 0.70 99.01 0.13 0.03 0.00 0.00 0.00 26 K C S 58.62 13.85 15.09 29.51 123.58 123.75 -85.49 153.77 99.72 0.27 0.01 49.33 50.34 0.12 0.00 0.00 0.00 0.09 0.10 27 S E B 45.01 5.58 23.85 29.70 118.78 -108.35 -72.69 155.45 9.77 90.22 0.02 7.53 0.11 0.00 0.02 0.00 0.00 3.60 88.74 28 L H H 13.74 23.52 13.74 37.38 91.10 -111.52 -57.82 -39.56 0.42 0.00 99.58 0.04 0.03 0.27 99.40 0.25 0.00 0.00 0.00 29 E H H 117.08 4.03 22.67 27.42 91.31 53.61 -63.28 -40.86 0.13 0.00 99.87 0.01 0.00 0.09 99.72 0.18 0.00 0.00 0.00 30 E H H 94.71 4.04 23.94 27.68 91.69 47.91 -65.90 -40.35 0.05 0.00 99.95 0.00 0.00 0.03 99.80 0.16 0.00 0.00 0.00 31 A H H 2.53 24.18 15.51 40.19 91.44 50.94 -63.85 -42.99 0.08 0.00 99.92 0.01 0.00 0.05 99.85 0.10 0.00 0.00 0.00 32 R H H 66.01 16.85 20.21 35.96 91.42 51.77 -62.06 -41.83 0.19 0.00 99.81 0.01 0.00 0.15 99.60 0.24 0.00 0.00 0.00 33 N H H 87.54 2.26 25.12 25.71 91.45 51.11 -63.80 -41.20 0.78 0.00 99.22 0.02 0.02 0.74 97.77 1.45 0.00 0.00 0.00 34 I H H 39.71 12.51 20.51 33.60 91.84 49.85 -64.74 -41.23 1.57 0.00 98.43 0.05 0.04 1.41 94.22 4.28 0.00 0.00 0.00 35 L H H 3.90 25.79 13.74 39.84 91.35 52.47 -66.57 -32.85 4.46 0.01 95.53 0.27 0.20 3.71 82.03 13.77 0.00 0.00 0.00 36 R H H 134.85 7.47 19.53 28.06 90.86 63.00 -66.62 -24.26 38.04 0.04 61.92 0.68 0.82 38.28 47.68 12.48 0.01 0.02 0.03 37 Y C T 154.10 2.97 19.87 22.86 95.48 50.15 -92.82 -3.44 60.58 0.06 39.37 1.46 2.35 57.81 29.14 9.16 0.01 0.02 0.06 38 T C S 25.37 18.79 9.25 27.17 120.02 96.86 -84.31 143.81 98.74 0.40 0.86 45.96 51.60 1.09 0.74 0.14 0.00 0.08 0.39 39 N C C 127.69 1.95 19.09 20.86 96.52 -140.50 -85.72 10.37 98.91 0.78 0.31 78.69 18.70 1.37 0.16 0.12 0.00 0.22 0.75 40 K C S 80.18 11.68 13.67 26.14 119.44 109.17 -87.90 144.70 93.50 1.58 4.92 38.76 52.19 1.95 4.54 0.53 0.00 0.25 1.77 41 R C T 146.79 4.38 21.48 26.77 93.82 -118.39 -62.89 -32.98 63.92 0.13 35.95 1.18 4.33 58.49 29.27 6.49 0.04 0.05 0.14 42 G C T 6.72 20.54 17.28 37.53 91.97 54.02 -71.52 -22.91 56.12 0.06 43.82 2.41 2.24 50.89 38.38 5.99 0.01 0.02 0.05 43 A H H 8.13 21.42 17.41 39.00 91.79 79.64 -61.04 -38.49 2.27 0.01 97.72 0.90 0.26 0.85 95.82 2.16 0.00 0.00 0.00 44 Y H H 123.30 5.77 26.34 32.68 91.72 54.31 -64.08 -40.40 0.36 0.00 99.64 0.08 0.03 0.18 99.32 0.40 0.00 0.00 0.00 45 F H H 44.92 13.79 24.85 38.57 91.70 49.92 -64.75 -42.16 0.13 0.00 99.87 0.02 0.01 0.07 99.67 0.23 0.00 0.00 0.00 46 V H H 0.99 27.72 22.03 50.14 91.26 49.51 -64.11 -43.10 0.05 0.00 99.95 0.00 0.00 0.03 99.92 0.04 0.00 0.00 0.00 47 A H H 16.48 18.29 23.83 41.37 91.25 51.32 -62.58 -42.36 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 48 K H H 104.53 4.26 28.72 33.46 91.45 50.33 -64.14 -41.33 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 49 V H H 9.78 19.97 23.61 43.29 91.34 49.84 -63.65 -43.87 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 50 L H H 1.55 27.53 21.68 49.53 91.26 48.92 -63.99 -42.86 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.01 0.00 0.00 0.00 51 E H H 90.62 9.29 26.83 36.46 91.43 50.30 -63.87 -41.93 0.18 0.00 99.82 0.02 0.01 0.12 99.84 0.01 0.00 0.00 0.00 52 S H H 43.46 6.10 27.28 34.25 91.54 49.66 -64.34 -42.32 0.50 0.00 99.50 0.05 0.03 0.35 99.54 0.03 0.00 0.00 0.00 53 A H H 4.01 22.44 21.29 43.72 91.44 49.74 -64.24 -42.50 0.59 0.00 99.41 0.09 0.04 0.37 99.45 0.06 0.00 0.00 0.00 54 A H H 13.91 19.37 21.82 40.57 91.27 51.05 -62.66 -42.37 0.57 0.00 99.43 0.08 0.04 0.33 99.44 0.10 0.00 0.00 0.00 55 A H H 54.84 3.29 26.01 28.65 91.33 50.18 -63.25 -42.33 1.10 0.00 98.90 0.11 0.07 0.77 98.87 0.18 0.00 0.00 0.00 56 N H H 54.93 7.87 22.74 31.26 92.13 48.63 -65.91 -39.64 2.45 0.00 97.55 0.24 0.18 1.80 97.43 0.34 0.00 0.00 0.00 57 A H H 5.41 20.90 14.09 35.47 91.99 51.76 -64.79 -41.73 3.95 0.03 96.02 0.70 0.48 2.62 95.24 0.91 0.01 0.01 0.01 58 V H H 67.22 9.00 16.87 26.58 93.07 49.27 -66.10 -40.12 9.28 0.09 90.63 1.31 1.08 6.88 89.29 1.31 0.05 0.03 0.05 59 N H H 119.59 1.25 18.23 18.19 95.26 43.50 -73.18 -34.82 20.81 0.07 79.12 1.29 1.81 17.55 77.88 1.36 0.04 0.02 0.05 60 N C H 93.24 5.05 14.98 21.06 100.23 34.43 -92.60 -24.31 51.57 0.14 48.29 2.97 5.69 40.90 48.74 1.52 0.03 0.04 0.11 61 H C T 80.79 9.93 11.84 22.74 105.20 27.20 -114.51 12.60 84.90 0.43 14.67 13.19 31.90 39.32 12.87 2.16 0.01 0.14 0.42 62 D C C 128.22 1.00 18.22 18.06 94.77 -117.45 55.13 41.04 99.40 0.10 0.51 51.87 16.65 30.89 0.13 0.35 0.00 0.05 0.06 63 M C C 35.51 18.39 8.78 26.16 120.80 152.27 -93.83 143.63 99.20 0.52 0.27 90.39 8.15 0.60 0.09 0.13 0.00 0.16 0.47 64 L C C 91.58 3.23 21.79 24.32 108.92 -119.45 -80.54 122.80 99.53 0.30 0.17 98.97 0.53 0.17 0.03 0.06 0.00 0.12 0.12 65 E H G 73.21 17.86 12.11 28.91 92.70 -140.80 -60.85 -31.82 9.83 0.18 89.98 0.91 0.96 6.19 0.40 91.40 0.00 0.13 0.01 66 D H G 109.09 2.77 19.85 23.15 90.87 63.79 -71.23 -15.76 10.20 0.21 89.59 0.42 0.80 7.28 0.32 91.01 0.00 0.17 0.01 67 R H G 108.50 8.56 19.53 28.79 96.95 54.88 -98.47 0.07 10.69 0.42 88.89 1.24 1.32 6.12 0.39 90.57 0.00 0.34 0.01 68 L E E 6.27 25.42 13.20 38.97 119.23 95.26 -96.88 137.26 26.72 73.21 0.07 23.69 2.76 0.11 0.01 0.05 0.00 72.97 0.41 69 Y E E 67.10 10.28 26.97 37.82 127.85 -168.80 -127.03 141.41 1.12 98.88 0.00 0.99 0.05 0.00 0.00 0.00 0.00 98.91 0.05 70 V E E 13.48 23.72 16.65 40.50 109.95 -121.81 -82.44 121.04 0.23 99.77 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.78 0.01 71 K E E 90.94 7.69 23.08 31.43 100.05 176.45 -92.41 -33.99 0.87 99.13 0.00 0.56 0.16 0.00 0.00 0.00 0.00 99.28 0.00 72 A E E 41.28 7.23 25.23 33.51 140.93 0.24 -155.97 151.41 0.38 99.62 0.00 0.26 0.04 0.00 0.00 0.00 0.00 99.70 0.00 73 A E E 12.03 24.39 14.85 38.86 129.79 -170.38 -134.71 138.94 0.28 99.72 0.00 0.24 0.01 0.00 0.00 0.00 0.00 99.75 0.00 74 Y E E 83.36 8.16 26.36 35.18 131.92 -174.77 -134.88 146.20 0.20 99.80 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.82 0.00 75 V E E 28.89 21.65 15.18 36.14 123.25 -159.88 -119.78 134.27 1.78 98.22 0.00 1.59 0.06 0.00 0.00 0.00 0.00 98.32 0.03 76 D E E 58.67 8.85 21.09 30.40 121.42 -166.78 -112.79 139.44 14.59 85.40 0.01 12.37 1.46 0.07 0.00 0.01 0.00 85.79 0.30 77 E E E 108.44 9.31 17.32 27.30 113.95 -125.04 -88.96 133.14 35.69 64.26 0.05 31.84 2.81 0.20 0.01 0.05 0.00 63.59 1.50 78 G C C 20.95 13.14 12.24 25.84 128.37 -141.28 -88.95 173.69 62.95 36.96 0.09 51.14 10.15 0.60 0.01 0.10 0.00 37.15 0.84 79 P C C 88.56 3.60 17.34 21.48 113.83 -66.35 -68.05 148.31 62.95 36.88 0.18 42.80 17.85 1.48 0.02 0.19 0.00 37.04 0.62 80 A E E 60.54 9.99 10.88 21.69 118.85 -131.05 -101.04 139.98 27.94 71.79 0.26 23.67 3.93 0.53 0.08 0.20 0.00 69.60 1.97 81 L E E 92.25 5.68 11.91 19.47 119.48 -143.43 -109.24 135.26 17.03 82.86 0.11 15.32 1.45 0.19 0.03 0.07 0.00 81.70 1.24 82 K E E 136.44 4.16 11.54 17.92 117.79 -141.41 -100.43 133.42 16.25 83.71 0.05 14.85 0.90 0.09 0.01 0.03 0.00 83.65 0.47 83 R E E 129.23 4.94 11.05 17.99 124.01 -174.17 -119.91 144.61 17.48 82.49 0.03 16.31 0.75 0.06 0.01 0.02 0.00 82.47 0.38 84 V E E 94.04 4.81 9.63 16.53 117.23 -133.05 -98.75 132.50 14.67 85.29 0.05 13.97 0.51 0.06 0.02 0.03 0.00 83.66 1.75 85 L E E 98.74 3.70 10.60 16.30 121.12 -164.92 -115.49 137.06 21.34 78.62 0.05 20.00 0.86 0.08 0.01 0.03 0.00 78.38 0.65 86 P E E 96.80 3.01 8.85 13.84 113.63 -112.34 -72.05 139.80 28.87 69.99 1.13 26.06 2.09 0.72 0.40 0.67 0.00 68.11 1.95 87 R C C 144.27 3.20 7.69 12.83 119.01 -162.37 -105.71 154.78 66.79 19.68 13.53 54.58 7.10 5.39 2.34 11.04 0.00 17.83 1.72 88 A C G 94.76 0.90 7.54 9.13 112.55 -67.09 -78.52 136.70 43.94 13.63 42.43 8.73 12.52 25.31 2.22 38.67 0.08 10.15 2.32 89 R C T 206.10 0.35 8.96 8.33 96.62 -0.23 47.83 32.67 58.47 1.06 40.47 3.81 9.60 42.31 1.39 41.82 0.00 0.63 0.42 90 G C T 64.57 0.77 8.68 9.72 96.99 -61.90 80.91 2.55 79.50 1.44 19.06 8.18 26.92 43.32 1.00 19.15 0.00 0.81 0.61 91 R C C 151.14 1.74 8.73 12.06 122.17 110.21 -107.08 146.48 63.96 33.61 2.43 40.98 15.74 8.33 0.54 2.11 0.01 27.43 4.87 92 A E E 71.28 4.88 7.81 14.71 118.51 -136.71 -98.35 140.46 42.34 56.85 0.81 34.09 7.10 1.85 0.22 0.65 0.00 53.42 2.66 93 D E E 82.94 4.04 11.47 17.42 124.90 -170.55 -122.79 145.95 29.84 69.96 0.21 24.50 4.54 0.66 0.04 0.15 0.00 69.46 0.64 94 I E E 109.46 4.85 11.06 17.93 114.75 -121.17 -85.93 132.34 19.42 80.53 0.06 17.56 1.23 0.11 0.01 0.03 0.00 80.66 0.41 95 I E E 82.55 7.38 11.09 20.16 119.73 -163.28 -107.75 135.54 14.84 85.13 0.03 13.83 0.66 0.06 0.01 0.02 0.00 85.12 0.30 96 K E E 120.02 5.74 13.07 20.56 117.20 -141.24 -104.31 129.01 9.21 90.76 0.02 8.56 0.41 0.04 0.01 0.01 0.00 90.58 0.40 97 K E E 99.06 8.84 14.14 24.30 124.84 -171.92 -122.38 140.65 15.87 84.11 0.01 14.72 0.65 0.03 0.00 0.01 0.00 84.17 0.41 98 R E E 104.25 10.24 16.31 27.32 119.18 -140.32 -99.14 137.12 21.26 78.73 0.02 20.50 0.54 0.03 0.00 0.01 0.00 78.28 0.64 99 T E E 41.70 12.81 18.38 31.65 127.81 -164.97 -121.94 150.09 24.08 75.90 0.02 23.36 0.66 0.04 0.00 0.01 0.00 74.88 1.04 100 S E E 12.41 19.27 16.99 36.35 126.95 -147.68 -118.71 146.85 19.18 80.80 0.02 17.76 0.93 0.05 0.00 0.01 0.00 80.60 0.65 101 H E E 59.49 11.39 23.67 35.43 121.28 -148.74 -113.85 133.52 11.51 88.48 0.01 10.17 0.83 0.03 0.00 0.01 0.00 88.77 0.19 102 I E E 9.77 23.25 18.42 41.82 122.15 -163.07 -115.68 132.12 3.40 96.60 0.00 3.32 0.08 0.00 0.00 0.00 0.00 96.55 0.05 103 T E E 28.08 11.69 25.75 38.31 121.42 -165.30 -114.79 131.99 0.64 99.36 0.00 0.60 0.02 0.00 0.00 0.00 0.00 99.36 0.01 104 V E E 6.02 24.09 19.64 44.07 120.14 -161.51 -113.62 128.07 0.16 99.84 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.84 0.00 105 I E E 33.20 11.47 26.48 38.96 119.23 -165.03 -112.20 127.95 0.14 99.86 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.86 0.00 106 L E E 11.36 22.69 18.10 40.87 120.18 -162.22 -108.46 132.41 1.10 98.90 0.00 0.99 0.03 0.00 0.00 0.00 0.00 98.96 0.02 107 G E E 17.71 10.33 21.26 32.41 137.97 170.51 -140.34 168.05 8.04 91.93 0.03 6.98 0.70 0.08 0.01 0.02 0.00 92.01 0.21 108 E E E 98.03 9.71 15.48 25.83 116.80 -97.90 -86.93 138.98 29.84 70.07 0.09 28.63 0.79 0.14 0.03 0.05 0.00 69.45 0.92 109 K C C 130.99 5.84 15.23 22.65 110.83 -109.71 -76.80 133.40 99.76 0.24 0.00 99.77 0.05 0.01 0.00 0.00 0.00 0.16 0.01