# 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 92.03 10.03 15.48 25.98 116.05 -160.52 -97.35 133.32 99.81 0.18 0.00 99.82 0.05 0.01 0.00 0.00 0.00 0.11 0.01 1 E C C 110.30 7.25 16.67 24.98 119.10 -155.04 -102.83 133.82 62.72 36.77 0.51 59.60 1.34 0.72 0.17 0.24 0.00 36.73 1.20 2 A E E 24.89 17.02 13.77 30.64 128.10 -167.68 -123.06 147.28 38.28 61.29 0.43 33.12 3.39 0.72 0.11 0.25 0.00 61.79 0.63 3 K E E 96.84 9.38 21.81 31.77 128.76 -165.25 -128.30 143.18 15.22 84.55 0.23 13.60 1.35 0.25 0.08 0.11 0.00 84.03 0.59 4 A E E 14.84 21.18 16.51 37.16 130.08 -168.83 -129.84 145.04 10.26 89.59 0.15 9.33 0.73 0.12 0.06 0.06 0.00 89.39 0.32 5 V E E 55.87 10.53 23.60 34.49 126.31 -164.15 -127.30 137.41 8.10 91.78 0.11 7.46 0.58 0.09 0.05 0.04 0.00 91.40 0.38 6 A E E 18.72 20.02 15.10 34.69 119.07 -151.93 -104.61 133.94 14.42 85.22 0.35 13.72 0.78 0.17 0.11 0.15 0.00 84.67 0.39 7 R E E 128.55 6.38 21.26 28.36 101.85 -168.86 -93.91 -30.80 27.50 72.19 0.31 11.71 14.42 1.60 0.04 0.25 0.00 71.74 0.25 8 T E E 67.78 8.05 22.18 30.46 127.05 10.44 -143.88 131.45 15.91 83.82 0.27 11.57 3.67 0.79 0.05 0.19 0.00 83.44 0.29 9 I E E 20.34 22.56 14.68 36.81 121.65 -174.14 -118.80 127.81 15.18 84.65 0.18 14.32 0.98 0.15 0.07 0.09 0.00 83.33 1.06 10 R E E 128.61 6.12 24.78 31.35 110.98 -152.73 -95.96 115.12 45.13 54.78 0.10 35.14 9.04 0.35 0.03 0.07 0.00 54.59 0.77 11 I C C 16.87 21.90 14.00 35.69 131.42 152.26 -131.02 150.38 76.56 23.35 0.09 65.25 12.59 0.20 0.05 0.06 0.00 18.95 2.90 12 A C C 39.03 6.61 21.99 29.29 116.24 -104.57 -70.08 150.05 99.67 0.28 0.04 99.46 0.30 0.02 0.03 0.00 0.00 0.15 0.03 13 P H H 52.60 15.06 15.16 30.30 91.62 -115.86 -57.72 -38.03 3.26 0.01 96.73 0.58 0.35 2.09 95.77 1.20 0.00 0.00 0.00 14 R H H 147.04 2.90 21.93 25.04 91.52 55.10 -63.62 -39.23 1.52 0.01 98.48 0.18 0.13 1.07 97.35 1.26 0.00 0.00 0.00 15 K H H 69.09 12.26 20.83 32.89 92.15 48.62 -67.16 -38.93 0.96 0.01 99.03 0.24 0.09 0.53 97.81 1.31 0.00 0.01 0.00 16 V H H 3.11 25.99 16.38 42.75 91.32 52.47 -63.35 -42.61 0.41 0.00 99.59 0.10 0.03 0.19 99.52 0.16 0.00 0.00 0.00 17 R H H 100.15 11.38 23.13 34.16 91.25 52.47 -62.20 -41.22 0.19 0.00 99.81 0.03 0.01 0.09 99.83 0.05 0.00 0.00 0.00 18 L H H 64.04 6.73 25.06 32.21 91.72 50.84 -64.13 -42.02 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 4.51 24.39 21.21 45.43 91.90 49.21 -64.39 -43.81 0.14 0.00 99.86 0.01 0.00 0.10 99.82 0.07 0.00 0.00 0.00 20 L H H 6.95 24.61 19.94 44.23 91.39 50.57 -63.00 -41.36 0.19 0.00 99.81 0.01 0.01 0.15 99.65 0.19 0.00 0.00 0.00 21 D H H 84.15 5.36 25.27 31.29 91.08 53.26 -64.51 -35.47 1.21 0.00 98.79 0.03 0.03 1.19 97.63 1.12 0.00 0.00 0.00 22 L H H 52.11 12.31 22.36 34.78 91.69 55.22 -69.35 -27.47 4.72 0.00 95.28 0.05 0.08 5.19 93.24 1.44 0.00 0.00 0.00 23 I H H 3.17 25.94 15.34 42.21 95.69 49.01 -88.98 -14.74 25.47 0.03 74.50 0.73 1.08 23.88 72.45 1.79 0.03 0.01 0.03 24 R C T 103.77 13.48 17.31 31.02 112.12 115.54 -62.52 131.18 97.76 0.07 2.17 0.31 0.60 97.24 1.62 0.15 0.00 0.02 0.06 25 G C T 53.33 2.83 21.30 24.63 94.12 18.01 84.13 -2.43 99.72 0.01 0.27 0.16 0.81 98.82 0.18 0.03 0.00 0.00 0.00 26 K C C 64.12 13.49 15.65 29.62 123.87 123.34 -86.97 153.97 99.67 0.31 0.02 52.31 47.32 0.13 0.01 0.01 0.00 0.11 0.11 27 N E B 69.07 6.21 24.41 30.93 118.19 -106.48 -73.12 152.93 8.70 91.28 0.02 6.63 0.11 0.00 0.02 0.00 0.00 3.86 89.39 28 A H H 7.02 24.32 14.83 39.43 91.28 -112.21 -57.56 -39.99 0.47 0.00 99.52 0.05 0.03 0.33 99.35 0.25 0.00 0.00 0.00 29 A H H 53.57 7.99 23.08 31.36 91.63 53.29 -62.92 -40.65 0.14 0.00 99.86 0.01 0.01 0.10 99.70 0.18 0.00 0.00 0.00 30 E H H 98.32 4.07 25.61 29.49 91.65 48.46 -65.95 -40.17 0.05 0.00 99.95 0.00 0.00 0.03 99.83 0.13 0.00 0.00 0.00 31 A H H 2.94 23.77 17.33 41.46 91.50 51.24 -63.50 -42.90 0.07 0.00 99.93 0.00 0.00 0.04 99.91 0.05 0.00 0.00 0.00 32 I H H 27.82 18.87 20.61 38.70 91.49 50.76 -62.83 -42.27 0.10 0.00 99.90 0.01 0.00 0.06 99.88 0.05 0.00 0.00 0.00 33 A H H 55.89 3.00 25.15 27.21 91.24 51.19 -63.09 -41.76 0.25 0.00 99.75 0.01 0.01 0.21 99.54 0.24 0.00 0.00 0.00 34 I H H 42.17 11.98 21.04 33.63 91.77 50.06 -64.46 -41.80 0.73 0.00 99.27 0.03 0.02 0.61 98.03 1.31 0.00 0.00 0.00 35 L H H 4.14 25.52 14.05 39.87 91.17 52.41 -65.37 -35.98 2.41 0.00 97.59 0.13 0.11 2.02 93.28 4.47 0.00 0.00 0.00 36 K H H 120.68 7.40 19.42 27.93 90.74 60.22 -65.95 -24.68 26.65 0.02 73.32 0.50 0.62 26.62 68.78 3.44 0.01 0.01 0.02 37 L C T 114.17 2.88 19.30 22.30 94.23 52.63 -88.35 -5.70 54.10 0.05 45.85 1.46 2.15 49.92 43.54 2.86 0.01 0.02 0.04 38 T C S 30.36 17.50 9.32 26.09 120.15 93.45 -85.43 146.68 97.88 0.37 1.75 43.19 52.48 1.99 1.64 0.25 0.00 0.08 0.37 39 N C C 134.63 1.29 18.62 19.26 97.60 -139.89 -85.83 19.82 98.73 0.56 0.71 77.91 17.72 2.99 0.32 0.32 0.00 0.19 0.54 40 K C S 81.88 11.38 13.16 25.40 120.32 114.27 -90.63 145.01 90.22 1.83 7.94 36.24 48.11 5.73 4.95 2.31 0.00 0.41 2.24 41 A C T 69.47 5.30 20.79 26.75 93.80 -120.81 -63.79 -29.68 83.48 0.28 16.24 2.88 13.06 68.47 7.09 8.05 0.01 0.12 0.32 42 S C T 12.81 20.53 16.25 36.27 94.19 53.93 -82.17 -11.56 74.13 0.15 25.73 6.29 5.80 61.31 17.92 8.46 0.01 0.06 0.16 43 S H H 12.57 20.01 16.70 36.83 92.16 90.59 -59.72 -40.87 4.92 0.01 95.06 2.44 0.70 1.45 94.25 1.16 0.00 0.00 0.00 44 P H H 68.58 5.29 25.18 30.77 91.19 53.92 -63.90 -38.59 1.10 0.00 98.90 0.27 0.08 0.54 98.66 0.45 0.00 0.00 0.00 45 V H H 32.85 13.47 23.73 37.23 91.80 50.09 -65.15 -42.01 0.23 0.00 99.77 0.04 0.01 0.12 99.62 0.21 0.00 0.00 0.00 46 I H H 1.42 27.44 20.34 48.24 91.22 49.70 -63.94 -42.98 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 52.18 16.61 23.63 38.94 91.23 51.86 -62.28 -42.27 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 110.89 3.67 27.79 31.61 91.54 50.03 -64.40 -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 11.33 19.26 22.92 41.92 91.54 49.56 -63.95 -43.66 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 1.98 26.98 21.11 48.28 91.17 48.99 -63.74 -42.89 0.08 0.00 99.92 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 51 M H H 86.75 8.84 26.45 35.61 91.53 50.21 -63.78 -41.78 0.20 0.00 99.80 0.02 0.01 0.13 99.83 0.01 0.00 0.00 0.00 52 S H H 43.66 5.93 26.65 33.29 91.67 49.90 -64.41 -42.08 0.58 0.00 99.42 0.07 0.03 0.40 99.47 0.03 0.00 0.00 0.00 53 A H H 4.30 21.98 20.99 43.00 91.61 49.85 -64.05 -42.63 0.63 0.00 99.37 0.09 0.05 0.42 99.38 0.06 0.00 0.00 0.00 54 L H H 22.94 19.07 21.90 40.23 91.44 50.29 -63.12 -42.57 0.40 0.00 99.60 0.06 0.03 0.24 99.59 0.08 0.00 0.00 0.00 55 A H H 52.35 3.29 25.41 28.11 91.37 50.31 -62.90 -42.36 0.69 0.00 99.31 0.07 0.04 0.45 99.31 0.12 0.00 0.00 0.00 56 N H H 53.97 7.64 22.52 30.92 92.06 48.64 -65.59 -40.28 1.63 0.00 98.37 0.15 0.11 1.17 98.32 0.25 0.00 0.00 0.00 57 A H H 5.22 20.46 13.81 34.94 91.63 51.62 -64.53 -41.61 2.33 0.01 97.66 0.29 0.22 1.60 97.29 0.58 0.01 0.00 0.00 58 E H H 91.30 8.29 16.81 25.91 92.37 50.39 -65.34 -39.92 6.08 0.03 93.89 0.70 0.56 4.65 93.12 0.91 0.02 0.01 0.02 59 H H H 147.07 1.09 17.94 17.48 94.97 43.66 -71.65 -38.13 13.99 0.03 85.99 0.62 0.96 12.29 85.04 1.05 0.02 0.01 0.02 60 N H H 94.46 4.79 15.00 20.81 100.06 33.35 -90.32 -26.43 35.96 0.07 63.98 1.54 3.12 30.16 64.02 1.06 0.03 0.02 0.05 61 Y C S 87.10 10.76 11.23 22.83 106.86 26.53 -116.00 9.90 77.98 0.40 21.61 13.40 31.68 31.45 21.19 1.77 0.01 0.11 0.39 62 D C C 132.26 0.69 17.86 16.56 94.52 -121.09 54.49 40.65 99.64 0.07 0.29 59.80 14.81 25.04 0.08 0.19 0.00 0.04 0.05 63 M C C 40.67 16.79 8.58 24.71 123.06 144.34 -100.11 148.25 99.65 0.27 0.08 90.06 9.22 0.30 0.03 0.04 0.00 0.07 0.28 64 N C C 91.15 2.92 22.22 24.24 108.16 -118.52 -83.96 116.18 99.84 0.11 0.04 99.44 0.39 0.07 0.01 0.01 0.00 0.04 0.04 65 T H G 38.73 19.90 11.41 30.51 92.79 -152.72 -64.31 -27.60 11.46 0.15 88.38 1.08 1.07 7.28 0.43 90.03 0.00 0.10 0.01 66 D H G 105.43 3.57 19.94 24.35 90.92 65.32 -71.24 -15.42 11.96 0.17 87.87 0.51 0.98 8.59 0.36 89.43 0.00 0.12 0.01 67 E H G 93.41 7.16 20.03 28.09 97.21 54.99 -96.84 2.66 12.00 0.55 87.44 1.72 1.72 6.53 0.43 89.13 0.00 0.45 0.02 68 L E E 8.36 24.95 12.55 37.64 118.75 101.46 -92.67 135.21 22.98 76.94 0.08 20.25 2.46 0.12 0.02 0.06 0.00 76.66 0.43 69 V E E 43.33 9.59 26.57 36.91 123.41 -166.55 -120.64 134.11 1.08 98.92 0.00 0.97 0.05 0.00 0.00 0.00 0.00 98.92 0.06 70 V E E 16.32 23.33 15.79 39.28 110.20 -127.76 -82.21 121.06 0.29 99.71 0.00 0.27 0.00 0.00 0.00 0.00 0.00 99.72 0.01 71 K E E 95.23 6.89 22.54 30.21 100.28 176.48 -92.82 -34.37 1.32 98.67 0.00 0.82 0.29 0.01 0.00 0.00 0.00 98.87 0.01 72 E E E 83.59 6.03 24.64 31.59 139.23 0.99 -154.14 149.06 0.67 99.33 0.00 0.43 0.10 0.00 0.00 0.00 0.00 99.47 0.00 73 A E E 14.97 24.17 14.19 37.84 129.48 -170.80 -134.41 138.98 0.51 99.49 0.00 0.43 0.02 0.00 0.00 0.00 0.00 99.54 0.00 74 Y E E 87.20 7.68 26.22 34.55 130.17 -174.14 -134.22 142.90 0.31 99.69 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.71 0.01 75 A E E 23.54 21.52 14.90 35.61 124.45 -162.97 -117.67 136.56 2.69 97.31 0.00 2.41 0.11 0.01 0.00 0.00 0.00 97.42 0.06 76 N E E 64.93 8.53 21.03 30.00 125.11 -168.97 -119.93 144.23 19.29 80.69 0.02 15.68 2.91 0.16 0.00 0.02 0.00 80.82 0.40 77 E E E 111.30 8.80 17.40 26.97 114.47 -117.88 -87.09 134.21 42.81 57.11 0.08 35.90 5.94 0.39 0.02 0.08 0.00 56.00 1.69 78 G C C 21.24 13.30 12.10 25.77 127.20 -140.73 -88.36 173.52 66.68 33.23 0.09 53.33 11.90 0.58 0.01 0.09 0.00 33.18 0.90 79 P C C 84.98 4.20 17.23 22.08 113.99 -75.91 -69.91 150.37 64.84 34.96 0.20 45.05 17.63 1.45 0.03 0.20 0.00 34.95 0.70 80 T E E 77.99 8.67 11.96 21.79 119.54 -130.63 -102.84 137.92 30.70 68.98 0.32 25.54 4.71 0.67 0.09 0.24 0.00 67.10 1.65 81 L E E 83.61 7.27 11.48 20.56 120.56 -152.37 -106.94 136.34 17.33 82.49 0.18 15.50 1.56 0.23 0.06 0.10 0.00 81.51 1.04 82 K E E 132.50 4.32 12.44 18.85 118.07 -143.04 -100.29 132.93 12.48 87.41 0.11 11.35 0.81 0.12 0.03 0.06 0.00 87.03 0.59 83 R E E 127.63 5.48 11.41 18.82 124.39 -169.32 -119.40 142.52 15.27 84.64 0.10 14.07 0.86 0.12 0.03 0.05 0.00 84.21 0.65 84 F E E 124.18 5.32 9.46 16.84 117.61 -133.57 -97.78 135.02 22.94 76.90 0.16 21.43 1.10 0.16 0.06 0.09 0.00 74.87 2.28 85 R E E 143.22 3.22 11.14 16.24 120.90 -160.90 -113.26 137.68 41.20 58.53 0.26 37.94 2.15 0.26 0.10 0.15 0.00 58.38 1.04 86 P E E 94.92 3.40 8.76 14.18 113.24 -110.43 -71.30 141.54 43.59 52.12 4.29 37.30 4.15 2.14 1.84 2.60 0.00 48.61 3.37 87 R C C 147.62 3.06 7.73 12.72 114.91 -154.02 -99.00 153.59 62.07 13.41 24.53 45.27 8.91 8.28 4.92 19.39 0.01 11.42 1.80 88 A C G 94.59 0.95 7.53 9.18 112.46 -68.80 -86.96 139.43 45.78 10.72 43.51 11.24 12.88 24.72 3.38 37.65 0.10 8.00 2.03 89 Q C T 161.83 0.46 8.65 8.55 99.11 -1.08 23.86 32.12 59.90 1.36 38.74 5.72 11.89 40.84 2.27 37.85 0.01 0.79 0.63 90 G C T 64.84 0.73 8.92 9.81 99.05 -62.42 82.60 1.82 81.46 1.79 16.76 9.83 30.99 40.65 1.38 15.35 0.01 1.00 0.79 91 R C C 153.32 1.82 8.72 12.19 120.99 108.86 -102.54 145.17 70.93 23.87 5.20 39.63 21.33 11.50 1.20 4.02 0.04 17.13 5.15 92 A C C 72.66 4.63 8.41 15.10 116.96 -132.11 -90.82 140.88 56.00 41.31 2.68 42.92 9.51 3.78 0.88 2.04 0.01 35.66 5.20 93 S C E 58.97 5.16 11.34 18.39 124.78 -168.95 -118.35 149.37 50.73 48.23 1.04 39.89 8.57 2.16 0.27 0.78 0.00 47.02 1.31 94 A E E 69.84 5.23 12.24 19.28 114.96 -111.24 -81.63 137.49 36.61 63.07 0.31 31.35 4.04 0.59 0.08 0.20 0.00 62.95 0.79 95 I E E 81.51 8.34 11.81 21.61 117.93 -160.56 -109.87 135.73 18.89 80.98 0.13 17.38 1.22 0.18 0.05 0.07 0.00 79.89 1.21 96 N E E 84.50 7.26 13.36 22.13 117.61 -145.59 -103.79 128.90 14.98 84.93 0.09 13.60 1.04 0.15 0.03 0.05 0.00 83.46 1.66 97 K E E 104.17 8.99 14.61 24.75 124.44 -172.88 -121.31 138.11 31.39 68.52 0.08 27.20 3.13 0.22 0.02 0.06 0.00 68.55 0.82 98 R E E 110.29 9.63 16.40 26.73 120.20 -148.12 -105.00 138.59 40.28 59.65 0.07 37.04 2.26 0.18 0.02 0.05 0.00 59.61 0.84 99 T E E 48.88 12.31 18.13 30.80 126.00 -157.66 -115.62 147.10 33.92 66.02 0.06 32.53 1.11 0.10 0.01 0.04 0.00 64.69 1.53 100 S E E 14.07 18.72 16.43 35.26 126.54 -154.46 -119.17 147.13 21.35 78.63 0.03 19.73 1.12 0.07 0.01 0.02 0.00 78.25 0.80 101 H E E 66.40 10.51 23.28 34.20 120.33 -148.35 -109.88 132.30 11.99 88.00 0.01 10.28 1.12 0.05 0.00 0.01 0.00 88.36 0.18 102 I E E 10.68 23.13 17.64 40.90 122.35 -163.66 -114.68 132.02 2.97 97.03 0.00 2.80 0.08 0.00 0.00 0.00 0.00 97.06 0.05 103 T E E 31.49 10.83 25.70 37.46 121.10 -164.55 -113.74 131.12 0.60 99.40 0.00 0.55 0.02 0.00 0.00 0.00 0.00 99.42 0.01 104 I E E 7.35 24.07 18.97 43.36 119.93 -163.76 -112.76 128.70 0.22 99.78 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.00 105 V E E 30.74 10.75 26.32 38.24 120.15 -165.60 -114.50 129.08 0.18 99.82 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.82 0.00 106 V E E 10.33 22.81 18.05 41.05 120.25 -162.02 -109.60 130.84 0.82 99.17 0.00 0.76 0.02 0.00 0.00 0.00 0.00 99.20 0.02 107 S E E 30.40 9.92 21.73 32.49 134.01 175.11 -134.27 157.55 7.06 92.92 0.02 6.35 0.42 0.04 0.01 0.01 0.00 92.88 0.28 108 D E E 71.04 10.98 15.75 27.19 110.11 -113.62 -85.58 122.75 36.03 63.55 0.42 27.37 8.09 1.28 0.10 0.33 0.00 61.92 0.90 109 G C C 40.82 7.51 13.56 22.11 112.56 -136.85 -34.91 157.79 82.24 16.51 1.25 50.16 24.96 6.71 0.20 1.09 0.00 15.98 0.90 110 K C C 142.95 3.27 11.92 16.93 114.19 -82.04 -89.28 132.55 92.83 6.11 1.06 86.87 2.33 3.77 0.27 0.68 0.00 5.28 0.80 111 E C C 137.87 3.60 12.45 17.87 111.84 -119.96 -83.19 127.89 99.87 0.10 0.02 99.81 0.07 0.05 0.01 0.00 0.00 0.06 0.00