# 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 101.96 6.90 13.34 21.47 119.01 -145.93 -96.29 139.89 99.96 0.03 0.01 99.70 0.25 0.02 0.00 0.00 0.00 0.01 0.01 1 P C C 71.13 6.79 11.14 19.59 115.63 -103.20 -66.56 150.38 98.01 0.06 1.93 97.26 0.32 0.88 1.27 0.21 0.00 0.02 0.04 2 P C C 81.82 5.96 10.45 18.06 109.76 -101.12 -65.84 148.58 79.45 0.44 20.10 64.14 5.28 10.63 13.42 6.02 0.00 0.20 0.32 3 K C C 148.63 3.00 11.13 15.72 103.64 -114.62 -77.26 30.90 61.77 2.00 36.23 41.42 9.91 10.55 25.14 10.97 0.01 1.03 0.98 4 Q C C 115.57 4.51 10.92 16.94 110.06 68.57 -87.94 116.28 52.91 2.64 44.44 36.79 9.16 7.35 33.45 10.77 0.01 1.56 0.90 5 Q C C 116.02 4.54 12.19 18.31 109.27 -135.73 -85.83 118.29 53.50 2.25 44.24 41.56 6.53 5.74 37.36 6.74 0.00 1.31 0.75 6 L C C 81.09 9.26 10.39 20.53 111.78 -135.88 -87.03 134.22 55.41 1.33 43.26 43.26 6.90 4.66 41.12 2.95 0.00 0.64 0.46 7 S C H 57.90 4.36 14.35 19.72 114.14 -127.20 -80.06 161.18 52.05 0.73 47.22 41.86 5.17 3.76 47.09 1.57 0.00 0.29 0.27 8 K H H 136.54 3.69 13.99 18.97 94.47 -106.75 -64.46 -36.81 9.11 0.14 90.74 5.30 1.87 2.53 88.90 1.29 0.00 0.06 0.04 9 A H H 60.29 4.24 14.91 20.30 92.76 53.07 -65.52 -39.49 5.78 0.11 94.11 2.97 0.94 2.16 92.46 1.37 0.00 0.06 0.03 10 A H H 45.09 6.89 14.47 22.96 92.72 50.97 -66.18 -39.52 4.65 0.11 95.24 2.42 0.71 1.81 93.50 1.46 0.01 0.07 0.02 11 K H H 108.16 5.60 16.72 23.19 92.59 51.48 -65.94 -39.42 4.29 0.10 95.62 2.12 0.66 1.73 94.28 1.12 0.01 0.05 0.02 12 A H H 52.22 4.64 16.74 22.42 92.43 51.23 -65.28 -40.11 5.16 0.11 94.73 2.30 0.72 2.25 93.42 1.21 0.01 0.06 0.03 13 A H H 51.49 5.45 16.47 23.03 92.72 51.17 -65.60 -39.14 8.04 0.16 91.80 3.44 1.14 3.68 89.80 1.78 0.01 0.09 0.05 14 A H H 48.84 7.20 15.37 23.82 93.02 51.79 -66.13 -37.14 13.99 0.27 85.74 5.67 1.92 6.68 82.98 2.46 0.02 0.15 0.10 15 A H H 62.12 5.16 15.59 21.89 93.84 54.23 -68.89 -31.65 25.42 0.50 74.08 10.19 3.64 12.23 70.63 2.80 0.03 0.25 0.22 16 M H H 120.27 3.61 14.92 19.53 96.72 54.72 -77.71 -20.91 42.62 1.14 56.24 17.78 7.41 18.90 51.83 2.97 0.05 0.51 0.55 17 A C H 64.39 6.34 11.87 19.57 103.75 78.20 -78.90 28.16 63.10 1.33 35.57 23.49 13.99 25.98 32.04 3.24 0.03 0.52 0.69 18 G C C 49.32 4.31 12.94 18.54 107.16 28.71 47.69 0.42 81.13 1.09 17.79 32.89 18.50 30.24 12.82 4.45 0.01 0.46 0.64 19 G C C 44.64 5.09 11.65 18.25 111.59 68.29 35.55 -36.04 83.05 1.48 15.48 44.16 21.27 17.91 8.52 6.57 0.00 0.63 0.93 20 K C C 141.35 3.25 11.84 16.49 107.14 -59.15 -84.25 100.69 77.49 2.12 20.39 45.94 18.41 13.18 11.05 9.19 0.01 0.92 1.32 21 K C C 133.68 3.87 10.61 16.16 108.33 -132.73 -83.28 113.79 73.30 1.74 24.96 41.39 17.62 14.41 11.93 12.83 0.01 0.78 1.03 22 S C C 73.18 4.42 10.30 16.32 108.92 -123.34 -82.89 119.68 73.62 1.67 24.71 44.60 15.35 13.62 11.52 13.20 0.00 0.78 0.94 23 K C C 141.23 3.42 10.28 15.34 105.86 -134.75 -85.84 58.85 74.41 1.92 23.67 49.16 13.68 11.29 12.04 11.83 0.00 0.90 1.09 24 K C C 132.52 3.97 10.19 15.94 110.54 74.04 -87.61 126.67 78.53 2.02 19.45 52.85 14.74 10.80 10.69 8.87 0.00 0.99 1.06 25 K C C 147.80 2.51 11.30 15.26 110.32 -140.88 -89.72 118.12 79.51 3.34 17.15 54.72 13.98 10.44 9.95 7.51 0.00 1.78 1.61 26 W C C 128.66 8.93 8.22 17.99 114.35 -145.17 -91.24 134.14 80.23 4.14 15.63 55.37 15.52 8.92 10.81 5.15 0.00 2.02 2.21 27 S C C 63.33 3.55 12.14 16.91 117.69 -146.57 -90.44 153.26 84.26 2.73 13.02 65.61 10.60 7.43 9.89 3.68 0.00 1.43 1.35 28 K C H 147.50 3.13 10.73 15.62 96.56 -115.14 -67.72 -29.62 53.85 1.09 45.07 18.99 15.46 20.78 35.66 7.99 0.07 0.49 0.58 29 K C H 143.25 1.77 12.79 15.01 96.25 60.23 -71.21 -32.21 50.51 0.85 48.64 16.51 13.48 21.59 39.57 7.94 0.06 0.38 0.46 30 S H H 55.12 5.44 12.42 19.38 98.81 54.59 -74.12 -30.78 44.48 1.56 53.96 26.74 8.84 10.30 45.38 7.31 0.03 0.79 0.62 31 H H H 81.89 9.68 11.90 22.38 97.60 57.75 -72.48 -32.70 30.48 1.28 68.25 20.91 5.49 5.88 61.93 4.66 0.01 0.69 0.41 32 K H H 112.77 4.63 15.55 21.22 95.98 60.40 -68.55 -37.88 21.51 1.02 77.47 13.38 3.97 5.93 70.50 5.29 0.02 0.64 0.29 33 D H H 76.66 4.77 17.17 22.51 94.92 52.28 -67.72 -36.49 20.01 1.00 78.99 12.23 3.39 6.01 71.16 6.26 0.02 0.67 0.28 34 K H H 81.72 11.41 16.13 27.74 93.23 54.40 -67.09 -35.60 16.73 0.83 82.44 8.67 2.88 6.36 72.49 8.75 0.03 0.55 0.26 35 A H H 35.16 13.40 15.25 29.00 92.61 57.47 -67.01 -31.90 18.14 0.71 81.16 7.21 2.89 8.35 68.08 12.72 0.06 0.47 0.24 36 K H H 123.57 5.53 20.11 26.36 92.59 60.68 -71.00 -22.16 33.78 0.68 65.54 5.12 4.18 23.77 54.09 11.90 0.20 0.41 0.32 37 H C T 83.70 11.15 18.22 29.62 98.96 48.73 -98.37 5.43 55.71 1.21 43.08 8.51 7.49 38.85 33.55 10.11 0.16 0.68 0.66 38 A C C 31.52 15.83 17.18 33.02 117.57 111.30 -81.10 139.29 74.25 16.98 8.77 46.91 21.54 5.92 6.50 2.93 0.06 9.71 6.44 39 V C C 35.06 17.71 18.00 35.38 113.90 -139.91 -95.58 124.28 65.10 29.04 5.86 51.82 8.08 3.73 4.27 2.23 0.03 23.58 6.26 40 V C C 68.40 10.98 22.50 33.26 115.66 -162.13 -102.08 122.78 65.87 30.86 3.27 52.36 9.81 2.32 2.49 1.30 0.01 24.32 7.39 41 L C C 22.49 21.74 11.88 32.69 120.88 -146.69 -99.53 138.73 81.93 17.02 1.04 68.78 12.46 0.78 0.85 0.36 0.00 12.57 4.19 42 D C C 80.14 4.03 19.88 23.82 114.33 -112.10 -75.98 147.24 98.13 1.49 0.38 96.95 1.18 0.17 0.29 0.04 0.00 1.11 0.26 43 Q H H 116.09 6.07 13.35 21.28 92.34 -118.25 -59.88 -37.84 2.21 0.00 97.78 0.30 0.27 1.34 97.70 0.38 0.00 0.00 0.00 44 D H H 106.98 1.10 18.18 17.59 91.85 52.53 -65.22 -39.86 1.87 0.00 98.12 0.18 0.14 1.39 97.70 0.58 0.00 0.00 0.00 45 K H H 61.05 11.12 16.10 28.07 92.47 47.27 -67.12 -39.38 0.91 0.01 99.08 0.16 0.07 0.56 98.66 0.53 0.00 0.00 0.00 46 F H H 22.17 19.83 13.49 33.21 91.48 52.69 -62.62 -42.57 0.25 0.00 99.75 0.05 0.02 0.12 99.75 0.07 0.00 0.00 0.00 47 D H H 74.72 3.73 21.13 24.83 91.25 51.06 -63.26 -41.08 0.20 0.00 99.79 0.03 0.01 0.11 99.83 0.03 0.00 0.00 0.00 48 R H H 111.44 3.79 21.74 25.32 91.53 50.54 -64.41 -42.05 0.17 0.00 99.83 0.01 0.01 0.11 99.84 0.03 0.00 0.00 0.00 49 I H H 7.79 22.04 15.91 38.15 91.76 49.80 -64.03 -42.83 0.14 0.00 99.86 0.01 0.00 0.09 99.84 0.05 0.00 0.00 0.00 50 M H H 56.53 15.68 17.88 33.04 91.59 51.87 -63.90 -38.87 0.51 0.00 99.49 0.02 0.02 0.43 99.29 0.24 0.00 0.00 0.00 51 K H H 143.90 1.43 22.21 22.01 92.48 50.26 -67.81 -37.48 4.46 0.00 95.53 0.06 0.10 4.56 94.84 0.43 0.00 0.00 0.00 52 E H H 80.14 8.70 18.90 28.10 94.70 45.05 -76.00 -31.64 9.92 0.02 90.07 0.17 0.61 9.43 89.36 0.40 0.02 0.00 0.01 53 A C C 6.12 22.46 11.52 33.64 100.48 45.24 -97.11 19.64 91.78 0.48 7.74 59.79 26.93 4.90 5.29 2.40 0.00 0.13 0.57 54 P C T 76.24 8.43 16.89 26.53 91.98 115.73 -64.91 -23.42 92.93 0.21 6.86 12.53 5.31 74.58 0.68 6.66 0.00 0.12 0.11 55 T C T 101.90 2.22 19.55 21.55 95.49 51.11 -92.26 -3.86 93.21 0.26 6.54 4.35 7.39 80.54 0.42 7.03 0.00 0.15 0.12 56 Y C C 52.90 18.23 10.86 28.44 116.54 105.40 -80.79 137.02 96.66 1.49 1.85 84.37 10.53 1.70 0.33 1.66 0.00 0.73 0.67 57 R C S 141.36 5.48 21.02 27.62 97.55 -163.32 -82.62 -27.96 97.36 2.25 0.40 21.44 73.37 2.80 0.05 0.36 0.00 1.59 0.39 58 Y E E 78.25 12.53 21.69 34.18 130.13 25.62 -134.20 139.83 33.45 65.81 0.75 14.31 18.11 3.44 0.19 0.58 0.03 59.65 3.68 59 V E E 8.39 23.96 19.01 42.95 121.76 -172.05 -122.40 126.79 21.76 78.02 0.23 18.16 3.00 0.17 0.18 0.11 0.00 65.72 12.66 60 S C C 20.71 12.62 26.88 40.11 127.96 -136.00 -103.59 164.07 70.28 29.57 0.15 70.86 1.24 0.06 0.14 0.03 0.00 26.20 1.47 61 V H H 13.37 23.31 19.44 42.75 91.54 -109.62 -59.92 -37.11 2.15 0.01 97.84 0.13 0.19 1.79 97.31 0.57 0.01 0.00 0.00 62 S H H 45.31 9.22 24.17 33.81 91.57 55.55 -63.20 -40.67 1.25 0.01 98.74 0.08 0.07 1.05 98.21 0.58 0.00 0.00 0.00 63 V H H 33.30 10.35 23.44 34.73 91.88 48.96 -65.16 -42.10 0.71 0.02 99.28 0.07 0.06 0.54 98.59 0.72 0.00 0.01 0.00 64 L H H 2.94 24.92 17.78 43.04 91.84 49.51 -64.16 -43.41 0.78 0.04 99.18 0.12 0.11 0.53 98.89 0.32 0.01 0.02 0.01 65 V H H 20.36 16.51 17.19 34.10 92.04 49.88 -64.15 -43.08 1.64 0.08 98.28 0.22 0.26 1.14 97.96 0.33 0.03 0.03 0.03 66 D H H 98.93 2.43 21.15 23.26 92.85 47.09 -66.22 -41.08 2.34 0.03 97.64 0.18 0.18 1.87 97.12 0.61 0.02 0.01 0.01 67 R H H 110.54 8.72 18.30 27.50 93.77 45.18 -70.67 -37.77 5.31 0.02 94.66 0.14 0.37 4.80 94.07 0.58 0.02 0.01 0.01 68 F H H 42.36 16.75 14.50 31.34 96.95 31.73 -98.96 -3.01 22.54 0.13 77.32 1.10 3.22 18.14 76.57 0.81 0.05 0.03 0.09 69 K C T 157.88 2.10 20.70 22.91 93.59 -126.45 57.73 41.41 99.49 0.07 0.44 25.04 5.57 68.99 0.23 0.11 0.00 0.04 0.02 70 L C C 29.69 19.03 11.65 30.12 122.31 147.33 -107.82 139.88 98.49 1.27 0.24 89.45 8.25 0.73 0.13 0.08 0.00 0.46 0.90 71 G C C 44.21 4.71 21.91 26.96 122.60 -136.31 -95.91 162.01 98.80 0.90 0.30 95.22 3.03 0.61 0.16 0.07 0.00 0.31 0.59 72 G C S 30.03 10.84 19.21 29.95 129.82 44.18 110.09 -167.81 67.26 0.83 31.91 14.44 43.32 7.36 33.07 1.04 0.02 0.18 0.59 73 S H H 63.24 5.96 23.35 29.68 93.77 -31.93 -65.38 -38.38 10.69 0.09 89.21 1.98 3.20 5.62 88.26 0.84 0.03 0.03 0.05 74 L H H 31.98 17.16 22.00 38.33 92.07 52.27 -65.20 -40.98 1.63 0.01 98.37 0.35 0.18 0.92 98.13 0.42 0.00 0.00 0.00 75 A H H 1.77 26.06 18.64 45.08 91.14 51.24 -63.36 -42.48 0.29 0.00 99.71 0.07 0.02 0.13 99.60 0.18 0.00 0.00 0.00 76 R H H 89.05 12.59 26.17 38.22 91.50 51.38 -63.25 -42.12 0.11 0.00 99.89 0.02 0.00 0.06 99.86 0.06 0.00 0.00 0.00 77 V H H 43.50 7.58 27.68 36.76 91.38 50.34 -63.90 -42.93 0.04 0.00 99.96 0.00 0.00 0.02 99.95 0.02 0.00 0.00 0.00 78 A H H 2.10 24.03 22.82 46.73 91.46 49.90 -63.61 -43.83 0.04 0.00 99.96 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 79 L H H 2.73 26.13 21.83 47.86 91.34 49.74 -64.10 -42.14 0.05 0.00 99.95 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 80 R H H 112.26 6.30 26.57 33.34 91.43 50.91 -63.06 -42.58 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 81 H H H 59.38 8.77 23.63 33.09 91.78 49.30 -64.63 -41.98 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 82 L H H 4.02 23.74 15.96 40.17 91.81 49.42 -64.16 -42.62 0.19 0.00 99.81 0.02 0.01 0.11 99.79 0.07 0.00 0.00 0.00 83 E H H 67.68 14.05 16.88 30.64 91.80 50.55 -63.22 -41.78 0.32 0.00 99.68 0.03 0.01 0.23 99.52 0.22 0.00 0.00 0.00 84 N H H 127.37 1.09 19.51 19.30 90.71 51.30 -65.04 -31.50 3.00 0.00 97.00 0.05 0.06 3.11 96.47 0.31 0.00 0.00 0.00 85 E C T 100.28 6.59 15.50 23.43 92.18 52.07 -85.27 -5.07 84.54 0.01 15.45 0.07 0.41 84.43 14.84 0.25 0.00 0.00 0.01 86 G C T 44.00 4.84 19.24 25.07 94.37 -113.25 81.33 13.25 99.91 0.00 0.09 0.11 0.65 99.20 0.03 0.01 0.00 0.00 0.00 87 I C S 24.46 17.41 16.84 34.93 95.61 119.08 -81.16 -26.21 99.69 0.30 0.01 7.68 91.62 0.49 0.00 0.00 0.00 0.17 0.03 88 I E E 3.13 26.02 13.67 40.79 131.96 30.43 -133.34 146.65 19.04 80.95 0.00 9.29 11.19 0.17 0.00 0.01 0.00 78.45 0.89 89 K E E 97.90 6.13 25.91 32.60 123.63 -159.09 -122.60 134.39 2.67 97.33 0.00 2.38 0.13 0.00 0.00 0.00 0.00 97.43 0.05 90 P E E 57.88 16.29 16.59 32.24 111.13 -113.33 -67.72 130.75 1.32 98.68 0.00 1.32 0.01 0.00 0.00 0.00 0.00 98.65 0.02 91 V E E 51.34 11.95 17.46 30.29 101.52 176.64 -97.66 -32.05 3.25 96.74 0.01 2.23 0.60 0.03 0.00 0.00 0.00 97.12 0.02 92 S E E 40.16 7.62 19.47 28.39 139.11 -2.76 -154.55 154.24 1.25 98.74 0.01 0.89 0.16 0.02 0.00 0.00 0.00 98.91 0.01 93 K E E 117.07 10.03 12.98 24.54 123.84 -157.74 -130.10 132.95 4.32 95.66 0.02 3.62 0.37 0.06 0.00 0.01 0.00 95.84 0.09 94 H E E 89.95 6.77 13.00 21.33 124.77 174.96 -128.19 143.93 41.45 58.45 0.10 37.58 2.34 0.27 0.02 0.08 0.00 59.23 0.48 95 S C T 94.80 1.42 14.43 15.66 99.79 -59.52 18.38 -72.60 98.55 0.68 0.77 2.15 38.17 58.25 0.02 0.82 0.00 0.50 0.10 96 K C T 150.03 3.72 14.21 18.70 98.13 -8.66 -95.03 2.36 98.73 0.49 0.78 2.04 36.98 59.68 0.02 0.86 0.00 0.36 0.07 97 Q E E 55.06 13.06 14.19 27.98 126.87 84.73 -116.50 143.09 26.10 73.71 0.19 19.05 6.00 1.09 0.02 0.17 0.00 73.33 0.35 98 A E E 19.20 15.28 18.93 35.11 120.17 -145.68 -106.47 135.10 2.66 97.34 0.00 2.53 0.06 0.00 0.00 0.00 0.00 97.37 0.04 99 I E E 15.12 17.69 22.70 40.95 120.43 -158.39 -113.63 130.78 0.34 99.66 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.70 0.00 100 Y E E 12.32 22.18 21.81 43.80 125.25 -166.57 -115.08 142.08 0.27 99.73 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.73 0.00 101 T E E 18.88 16.02 24.44 40.46 135.03 -175.39 -134.91 154.89 1.94 98.05 0.01 1.85 0.07 0.01 0.00 0.00 0.00 98.01 0.06 102 R E E 68.76 15.43 21.28 36.11 115.02 -103.67 -75.71 142.46 20.19 79.70 0.11 18.80 1.20 0.14 0.04 0.06 0.00 78.97 0.79 103 A C C 25.32 17.01 15.49 32.43 111.74 -109.92 -70.88 144.44 87.57 9.03 3.40 69.51 12.68 4.92 0.60 2.95 0.00 8.46 0.87 104 T C C 76.43 6.91 17.27 24.86 108.44 -143.23 -90.96 86.43 87.03 3.24 9.73 47.29 23.34 15.97 1.29 9.11 0.00 1.96 1.04 105 A C C 74.73 5.10 12.76 19.16 99.23 -98.01 -80.60 -8.79 87.08 1.99 10.94 33.31 28.10 25.07 1.10 10.57 0.00 1.05 0.80 106 S C C 71.93 5.20 10.32 16.90 107.95 74.28 -87.10 65.99 90.58 1.75 7.67 69.90 4.74 15.94 0.98 6.66 0.00 1.12 0.65 107 E C C 130.90 4.14 12.87 18.54 108.25 67.01 -85.57 97.46 99.87 0.10 0.03 99.73 0.13 0.06 0.01 0.00 0.00 0.05 0.01