# 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 89.83 10.65 15.52 26.49 115.17 -157.86 -96.74 131.57 99.81 0.19 0.00 99.82 0.05 0.01 0.00 0.00 0.00 0.12 0.00 1 E C C 109.11 7.29 17.06 25.33 118.78 -157.01 -102.28 133.27 63.39 36.19 0.42 60.23 1.31 0.67 0.14 0.20 0.00 36.33 1.12 2 A E E 23.88 17.41 13.94 31.14 128.43 -166.58 -121.92 146.70 38.09 61.55 0.36 32.75 3.60 0.67 0.09 0.22 0.00 62.12 0.55 3 K E E 93.72 9.76 22.09 32.32 129.73 -166.94 -130.30 143.82 13.62 86.20 0.18 12.09 1.30 0.21 0.06 0.09 0.00 85.78 0.46 4 A E E 13.96 21.37 16.79 37.65 131.43 -170.26 -131.42 146.63 7.35 92.55 0.10 6.77 0.49 0.08 0.03 0.03 0.00 92.36 0.23 5 V E E 53.63 10.88 23.94 35.16 125.66 -163.37 -126.57 135.64 5.50 94.44 0.07 5.15 0.34 0.05 0.03 0.02 0.00 94.13 0.28 6 A E E 17.21 20.48 15.49 35.54 119.90 -155.75 -107.61 133.95 12.03 87.75 0.22 11.55 0.60 0.12 0.07 0.09 0.00 87.26 0.31 7 R E E 125.27 6.77 21.63 29.03 102.96 -170.04 -95.70 -30.48 26.87 72.89 0.25 11.91 13.73 1.41 0.03 0.20 0.00 72.50 0.22 8 T E E 69.12 8.36 22.23 30.64 119.79 8.07 -139.54 115.03 17.29 82.51 0.21 12.55 3.99 0.74 0.03 0.15 0.00 82.24 0.29 9 I E E 19.47 22.51 14.75 36.90 121.12 -174.81 -115.94 128.61 15.62 84.22 0.15 14.79 0.97 0.14 0.06 0.08 0.00 82.78 1.18 10 R E E 129.06 6.12 24.89 31.50 111.05 -152.66 -95.99 116.21 47.94 51.98 0.08 37.19 9.97 0.33 0.03 0.06 0.00 51.64 0.79 11 I C C 15.71 22.33 13.91 36.07 131.31 155.74 -130.84 150.13 79.78 20.13 0.09 68.07 12.99 0.19 0.05 0.05 0.00 15.82 2.83 12 A C C 39.58 6.46 22.31 29.42 115.82 -104.82 -69.91 149.37 99.70 0.25 0.05 99.51 0.28 0.02 0.03 0.00 0.00 0.12 0.03 13 P H H 51.86 15.35 15.20 30.57 91.61 -116.41 -57.76 -37.70 3.16 0.01 96.83 0.58 0.34 2.01 95.94 1.13 0.00 0.00 0.00 14 R H H 146.29 2.98 22.05 25.27 91.39 55.32 -63.53 -39.00 1.39 0.01 98.61 0.17 0.11 0.97 97.59 1.16 0.00 0.00 0.00 15 K H H 68.06 12.50 20.92 33.18 92.15 48.86 -66.86 -38.93 0.87 0.01 99.12 0.22 0.08 0.48 98.03 1.18 0.00 0.01 0.00 16 V H H 2.72 26.26 16.46 43.18 91.25 52.31 -63.37 -42.55 0.36 0.00 99.63 0.08 0.03 0.17 99.57 0.14 0.00 0.00 0.00 17 R H H 99.25 11.54 23.20 34.35 91.25 52.43 -62.03 -41.32 0.18 0.00 99.82 0.03 0.01 0.08 99.84 0.04 0.00 0.00 0.00 18 L H H 63.22 6.82 25.14 32.42 91.67 50.88 -64.12 -42.05 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 4.10 24.59 21.29 45.71 91.87 49.19 -64.44 -43.79 0.13 0.00 99.87 0.01 0.00 0.09 99.83 0.07 0.00 0.00 0.00 20 L H H 6.78 24.72 20.07 44.48 91.39 50.63 -62.90 -41.32 0.19 0.00 99.81 0.01 0.01 0.14 99.65 0.19 0.00 0.00 0.00 21 D H H 83.82 5.46 25.41 31.53 91.09 53.36 -64.60 -35.60 1.22 0.00 98.78 0.03 0.03 1.21 97.58 1.15 0.00 0.00 0.00 22 L H H 51.04 12.55 22.49 35.12 91.68 55.12 -69.36 -27.63 4.73 0.00 95.27 0.04 0.08 5.22 93.23 1.42 0.00 0.00 0.00 23 I H H 2.75 26.19 15.49 42.70 95.65 49.09 -89.16 -15.17 26.63 0.04 73.33 0.83 1.22 24.71 71.29 1.87 0.03 0.01 0.04 24 R C T 101.89 13.79 17.52 31.42 112.19 115.74 -62.66 131.55 97.88 0.08 2.05 0.31 0.60 97.32 1.55 0.14 0.00 0.02 0.06 25 G C T 52.51 3.05 21.48 25.13 94.14 18.08 84.19 -2.53 99.70 0.01 0.29 0.15 0.80 98.80 0.20 0.03 0.00 0.00 0.00 26 K C C 63.48 13.66 15.99 30.05 124.15 122.74 -88.40 154.15 99.65 0.33 0.01 51.51 48.11 0.13 0.01 0.01 0.00 0.12 0.11 27 N E B 67.60 6.54 24.55 31.46 118.06 -106.98 -73.20 152.84 7.86 92.12 0.02 5.94 0.10 0.00 0.02 0.00 0.00 3.86 90.07 28 A H H 6.20 24.59 14.99 39.96 91.17 -112.67 -57.63 -39.94 0.45 0.00 99.55 0.04 0.03 0.31 99.38 0.24 0.00 0.00 0.00 29 A H H 52.41 8.42 23.20 31.86 91.64 53.24 -62.87 -40.70 0.13 0.00 99.87 0.01 0.00 0.09 99.73 0.17 0.00 0.00 0.00 30 E H H 97.92 4.16 25.82 29.85 91.69 48.44 -65.85 -40.16 0.04 0.00 99.96 0.00 0.00 0.03 99.85 0.12 0.00 0.00 0.00 31 A H H 2.78 23.94 17.50 41.80 91.47 51.24 -63.40 -42.96 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 26.75 19.10 20.71 39.01 91.46 50.72 -62.73 -42.34 0.09 0.00 99.91 0.01 0.00 0.05 99.90 0.04 0.00 0.00 0.00 33 A H H 55.28 3.12 25.18 27.46 91.25 51.13 -63.01 -41.81 0.19 0.00 99.81 0.01 0.00 0.15 99.68 0.16 0.00 0.00 0.00 34 I H H 42.30 12.07 21.13 33.77 91.76 50.12 -64.39 -41.87 0.59 0.00 99.41 0.02 0.01 0.48 98.65 0.84 0.00 0.00 0.00 35 L H H 4.03 25.58 14.10 40.00 91.20 52.30 -65.41 -36.66 2.11 0.00 97.89 0.10 0.09 1.77 94.79 3.24 0.00 0.00 0.00 36 K H H 120.04 7.59 19.43 28.09 90.65 59.75 -65.99 -24.86 25.11 0.02 74.88 0.45 0.57 25.25 70.90 2.80 0.01 0.01 0.02 37 L C T 113.98 2.95 19.34 22.38 94.31 52.70 -87.97 -6.36 51.77 0.05 48.18 1.34 2.16 47.53 46.38 2.52 0.01 0.02 0.04 38 T C S 30.81 17.44 9.60 26.36 119.65 91.66 -86.73 145.30 97.33 0.42 2.25 42.13 52.57 2.36 2.13 0.31 0.00 0.09 0.41 39 N C C 133.44 1.44 18.71 19.74 97.79 -140.17 -85.84 22.37 98.44 0.63 0.93 75.94 18.60 3.80 0.42 0.44 0.00 0.22 0.58 40 K C S 79.80 12.09 13.42 26.14 120.30 115.83 -90.67 144.62 90.75 2.10 7.16 42.45 42.47 5.55 4.18 2.38 0.00 0.48 2.49 41 A C T 67.30 5.94 21.18 27.73 94.03 -121.65 -64.34 -29.89 85.12 0.34 14.54 3.38 14.17 68.39 5.85 7.69 0.01 0.15 0.36 42 S C T 11.88 21.05 16.63 37.08 95.01 52.79 -84.64 -9.33 77.08 0.19 22.73 7.51 6.55 62.40 15.10 8.15 0.01 0.08 0.20 43 S H H 11.72 20.45 17.05 37.57 92.16 93.04 -59.97 -40.71 6.01 0.02 93.96 3.26 0.89 1.61 92.98 1.24 0.00 0.01 0.01 44 P H H 67.78 5.63 25.39 31.40 91.24 54.24 -63.79 -38.55 1.27 0.00 98.72 0.33 0.09 0.62 98.49 0.46 0.00 0.00 0.00 45 V H H 31.25 13.99 23.83 37.76 91.75 49.92 -65.12 -42.02 0.27 0.00 99.73 0.05 0.02 0.14 99.57 0.22 0.00 0.00 0.00 46 I H H 1.36 27.54 20.56 48.58 91.11 49.72 -63.91 -43.07 0.06 0.00 99.94 0.01 0.00 0.03 99.93 0.03 0.00 0.00 0.00 47 E H H 52.49 16.69 23.80 39.15 91.28 51.91 -62.32 -42.20 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 109.69 3.87 27.92 32.06 91.53 50.14 -64.28 -41.45 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 10.38 19.77 23.05 42.51 91.49 49.53 -63.97 -43.74 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 1.94 27.01 21.50 48.65 91.18 49.02 -63.59 -42.88 0.07 0.00 99.93 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 51 M H H 86.14 8.92 26.69 35.94 91.47 50.31 -63.69 -41.87 0.16 0.00 99.84 0.01 0.00 0.11 99.86 0.01 0.00 0.00 0.00 52 S H H 42.19 6.33 26.78 33.94 91.72 49.90 -64.49 -42.10 0.49 0.00 99.51 0.05 0.02 0.35 99.55 0.03 0.00 0.00 0.00 53 A H H 3.75 22.65 21.11 43.75 91.55 49.95 -64.01 -42.73 0.55 0.00 99.45 0.07 0.04 0.38 99.45 0.06 0.00 0.00 0.00 54 L H H 22.69 19.20 22.19 40.60 91.43 50.24 -63.07 -42.53 0.35 0.00 99.65 0.05 0.02 0.21 99.64 0.08 0.00 0.00 0.00 55 A H H 52.10 3.31 25.74 28.48 91.32 50.27 -62.82 -42.43 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 51.04 8.09 22.65 31.54 92.09 48.61 -65.65 -40.34 1.34 0.00 98.66 0.12 0.09 0.95 98.63 0.21 0.00 0.00 0.00 57 A H H 4.65 20.98 13.84 35.49 91.62 51.55 -64.38 -41.70 1.94 0.01 98.05 0.23 0.17 1.33 97.79 0.47 0.00 0.00 0.00 58 E H H 92.09 8.32 17.08 26.17 92.29 50.44 -65.25 -39.92 5.15 0.03 94.82 0.58 0.45 3.94 94.22 0.77 0.02 0.01 0.01 59 H H H 147.02 1.09 18.23 17.71 94.87 44.30 -71.65 -38.69 12.42 0.02 87.56 0.50 0.79 11.02 86.76 0.88 0.02 0.01 0.01 60 N H H 93.17 5.09 15.26 21.37 99.79 33.13 -90.75 -28.13 33.79 0.05 66.16 1.29 2.70 28.74 66.27 0.92 0.03 0.01 0.04 61 Y C S 83.03 11.35 11.40 23.48 106.95 25.84 -116.15 10.34 75.06 0.38 24.57 13.02 30.47 29.91 24.50 1.62 0.02 0.10 0.37 62 D C C 131.67 0.73 18.22 17.01 94.49 -120.82 55.49 40.99 99.68 0.07 0.25 60.45 15.59 23.64 0.07 0.16 0.00 0.03 0.05 63 M C C 37.54 17.33 8.83 25.48 123.80 143.59 -102.55 148.48 99.65 0.27 0.08 89.64 9.65 0.29 0.03 0.04 0.00 0.07 0.27 64 N C C 89.56 3.07 22.77 24.95 108.38 -119.39 -83.45 118.15 99.84 0.12 0.04 99.47 0.37 0.06 0.01 0.01 0.00 0.04 0.04 65 T H G 36.67 20.32 11.81 31.38 92.81 -150.15 -64.00 -27.36 10.54 0.12 89.33 0.85 0.92 6.86 0.40 90.88 0.00 0.08 0.01 66 D H G 102.74 4.08 20.43 25.38 90.82 65.47 -71.28 -14.86 10.98 0.14 88.88 0.42 0.84 7.98 0.35 90.31 0.00 0.09 0.01 67 E H G 87.02 8.09 20.48 29.49 97.54 56.22 -96.18 2.34 11.09 0.48 88.43 1.50 1.57 6.09 0.42 90.01 0.00 0.39 0.02 68 L E E 7.18 25.24 13.44 39.00 118.70 101.67 -92.79 135.04 20.91 79.02 0.07 18.46 2.22 0.10 0.02 0.05 0.00 78.69 0.45 69 V E E 39.07 10.51 26.83 38.09 123.03 -166.59 -120.44 134.75 1.05 98.94 0.00 0.95 0.05 0.00 0.00 0.00 0.00 98.94 0.07 70 V E E 14.22 23.75 16.51 40.48 110.27 -128.80 -83.01 120.72 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 91.62 7.47 22.94 31.15 100.34 176.52 -92.72 -34.54 1.65 98.34 0.00 1.00 0.40 0.02 0.00 0.00 0.00 98.57 0.01 72 E E E 81.95 6.31 25.05 32.31 139.47 1.07 -153.81 148.44 0.95 99.04 0.00 0.59 0.16 0.01 0.00 0.00 0.00 99.23 0.00 73 A E E 12.95 24.54 14.49 38.64 129.68 -170.73 -133.98 139.51 0.73 99.27 0.00 0.61 0.03 0.00 0.00 0.00 0.00 99.34 0.00 74 Y E E 82.82 8.20 26.49 35.39 130.99 -173.80 -134.97 143.81 0.36 99.64 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.67 0.01 75 A E E 21.45 21.88 15.30 36.44 124.74 -162.75 -119.45 137.08 2.65 97.35 0.00 2.37 0.11 0.01 0.00 0.00 0.00 97.46 0.06 76 N E E 62.17 8.89 21.56 30.82 126.08 -169.53 -120.26 145.11 17.51 82.47 0.02 14.29 2.54 0.14 0.00 0.02 0.00 82.64 0.38 77 E E E 109.14 9.25 17.90 27.77 114.56 -117.35 -87.57 134.43 39.50 60.43 0.06 33.86 4.74 0.28 0.01 0.06 0.00 59.43 1.62 78 G C C 19.43 14.10 12.32 26.66 126.99 -137.56 -86.86 173.93 65.20 34.74 0.06 53.75 9.90 0.43 0.01 0.07 0.00 35.03 0.81 79 P C C 81.55 4.60 17.61 22.85 113.91 -75.40 -70.00 150.38 62.81 37.07 0.12 47.51 13.09 0.92 0.02 0.13 0.00 37.74 0.60 80 T E E 75.73 9.10 12.31 22.51 120.46 -128.95 -105.48 138.21 24.77 75.04 0.20 21.51 2.90 0.39 0.06 0.15 0.00 73.28 1.71 81 L E E 81.78 7.55 11.80 21.12 120.03 -152.28 -107.28 136.18 13.92 85.97 0.11 12.53 1.20 0.17 0.04 0.07 0.00 85.00 0.99 82 K E E 131.09 4.48 12.58 19.12 118.08 -142.75 -99.21 133.38 12.23 87.70 0.07 11.20 0.71 0.09 0.02 0.04 0.00 87.46 0.48 83 R E E 126.82 5.58 11.56 19.02 124.10 -168.56 -118.85 144.11 15.64 84.29 0.08 14.36 0.90 0.11 0.02 0.04 0.00 84.01 0.55 84 F E E 123.20 5.51 9.50 17.01 117.56 -129.94 -95.82 134.94 22.64 77.23 0.13 21.15 1.11 0.15 0.05 0.07 0.00 75.43 2.04 85 R E E 142.71 3.22 11.24 16.35 120.74 -162.78 -114.19 137.24 35.75 64.09 0.16 33.02 1.83 0.20 0.05 0.09 0.00 63.79 1.01 86 P E E 95.44 3.39 8.82 14.24 113.52 -111.50 -71.40 140.79 39.35 57.51 3.14 34.05 3.58 1.71 1.27 1.98 0.00 54.06 3.34 87 R C C 143.70 3.25 7.75 12.95 118.30 -157.86 -101.20 153.19 68.96 15.22 15.82 54.65 8.09 6.31 3.57 12.29 0.00 13.07 2.02 88 A C G 95.04 0.93 7.56 9.18 111.52 -82.59 -79.56 139.59 49.98 12.31 37.70 11.15 13.97 27.48 2.79 33.09 0.10 9.01 2.40 89 Q C T 162.35 0.43 8.77 8.52 98.06 7.48 42.07 30.68 65.33 1.20 33.46 5.37 12.10 45.87 1.85 33.51 0.01 0.70 0.58 90 G C T 64.40 0.77 8.84 9.87 98.57 -66.01 82.67 2.13 81.88 1.73 16.39 10.69 34.53 36.62 1.28 15.16 0.00 0.97 0.75 91 R C C 151.99 1.83 8.73 12.22 121.10 109.89 -103.27 146.05 72.21 24.02 3.76 44.38 19.86 8.81 1.01 2.90 0.02 17.85 5.18 92 A C C 72.88 4.59 8.29 14.97 117.52 -131.21 -92.42 141.63 52.41 45.33 2.26 40.47 8.91 3.36 0.80 1.68 0.01 39.51 5.25 93 S E E 59.08 4.98 11.45 18.34 125.32 -170.45 -120.79 149.33 47.09 51.98 0.93 37.14 7.95 1.92 0.26 0.67 0.00 50.79 1.28 94 A E E 69.89 5.27 12.05 19.16 114.60 -112.15 -80.84 136.97 33.81 65.88 0.32 29.35 3.40 0.55 0.09 0.20 0.00 65.58 0.84 95 I E E 83.08 8.17 11.84 21.41 116.30 -165.20 -108.44 136.50 20.20 79.64 0.15 18.49 1.37 0.21 0.06 0.08 0.00 78.76 1.04 96 N E E 84.72 7.17 13.44 22.07 117.43 -143.54 -108.52 130.73 14.59 85.30 0.10 13.07 1.15 0.18 0.03 0.06 0.00 84.28 1.24 97 K E E 103.21 9.20 14.56 24.96 125.30 -172.45 -122.49 138.57 24.21 75.71 0.08 21.47 1.95 0.17 0.02 0.05 0.00 75.61 0.72 98 R E E 105.48 10.34 16.26 27.24 122.05 -149.90 -109.18 138.48 30.59 69.32 0.09 28.67 1.39 0.15 0.02 0.05 0.00 68.74 0.98 99 T E E 49.99 11.85 18.54 30.79 125.40 -156.94 -115.33 147.38 29.61 70.30 0.09 28.21 1.14 0.12 0.03 0.05 0.00 69.01 1.44 100 S E E 14.15 19.00 16.27 35.30 126.41 -150.71 -118.54 146.87 22.58 77.35 0.08 20.85 1.31 0.12 0.02 0.04 0.00 76.81 0.83 101 H E E 66.79 10.64 23.28 34.27 119.66 -147.51 -110.92 131.82 14.28 85.68 0.05 12.43 1.32 0.08 0.01 0.02 0.00 85.91 0.23 102 I E E 11.49 22.94 17.79 40.76 122.08 -162.37 -114.36 131.52 4.09 95.86 0.05 3.85 0.13 0.01 0.03 0.01 0.00 95.88 0.08 103 T E E 31.53 11.17 25.59 37.59 121.28 -165.09 -114.87 131.31 0.85 99.14 0.01 0.77 0.03 0.00 0.01 0.00 0.00 99.17 0.02 104 I E E 8.19 23.73 19.29 43.25 119.53 -162.69 -111.94 128.28 0.44 99.54 0.02 0.41 0.01 0.00 0.01 0.00 0.00 99.55 0.01 105 V E E 29.09 11.60 26.16 38.82 120.02 -166.08 -113.53 128.77 0.72 99.26 0.02 0.68 0.02 0.00 0.02 0.00 0.00 99.25 0.02 106 V E E 11.56 22.44 19.08 41.59 119.80 -162.00 -109.16 130.62 4.19 95.53 0.28 3.78 0.26 0.07 0.25 0.06 0.00 95.43 0.15 107 S E E 22.80 11.53 21.68 34.17 136.11 173.36 -136.85 160.70 22.23 76.69 1.08 19.74 1.97 0.42 0.84 0.37 0.00 75.88 0.77 108 D C C 67.36 10.48 18.60 29.39 105.86 -112.84 -83.05 91.43 62.93 29.85 7.23 42.02 16.80 4.10 5.07 2.23 0.02 28.23 1.54 109 G C C 30.99 9.34 17.10 27.01 103.43 -47.76 74.55 -14.42 64.85 3.10 32.05 35.78 18.19 11.20 25.20 6.83 0.03 1.95 0.82 110 K H H 111.59 7.42 15.69 23.86 96.54 57.85 -70.14 -32.18 47.87 1.41 50.72 29.29 9.89 9.55 39.99 9.99 0.02 0.80 0.48 111 E H H 107.33 4.98 15.39 21.44 95.38 59.32 -69.56 -34.31 38.85 1.42 59.73 23.58 7.44 8.74 47.45 11.46 0.02 0.83 0.46 112 E H H 93.50 6.82 14.71 22.69 96.37 54.11 -71.49 -32.54 37.24 1.61 61.15 23.39 6.51 8.50 49.21 10.90 0.02 0.94 0.52 113 A H H 42.43 11.03 11.19 22.98 97.43 59.66 -73.36 -28.77 43.84 1.51 54.66 26.81 7.95 10.37 45.17 8.29 0.02 0.80 0.58 114 K C H 128.84 4.35 12.59 18.40 98.96 62.32 -78.48 -16.59 56.53 1.75 41.72 33.83 9.34 13.90 34.80 6.47 0.02 0.88 0.77 115 E C C 131.37 2.95 11.34 15.73 104.11 74.97 -83.04 25.52 73.38 1.10 25.52 58.40 2.55 12.13 22.60 3.18 0.00 0.53 0.61 116 A C C 73.95 4.76 12.22 18.41 106.17 64.86 -80.38 67.92 99.82 0.03 0.15 99.62 0.11 0.14 0.10 0.00 0.00 0.01 0.00