# 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 96.06 8.83 12.54 22.35 116.35 -162.25 -96.32 130.46 99.91 0.07 0.02 99.86 0.07 0.03 0.01 0.00 0.00 0.03 0.01 1 R C C 152.84 3.88 10.93 16.70 114.44 -148.79 -92.69 132.36 89.66 3.63 6.71 85.09 1.32 4.18 3.66 2.08 0.00 2.03 1.64 2 H C C 121.63 5.42 8.91 16.05 113.88 -139.87 -90.92 133.16 85.26 4.83 9.92 62.94 12.82 9.48 4.74 5.09 0.00 2.84 2.07 3 R C C 148.88 4.41 9.76 15.93 112.11 -140.44 -89.83 129.08 83.28 4.27 12.45 58.07 15.01 10.18 5.80 6.65 0.00 2.41 1.88 4 K C C 139.05 3.86 10.57 16.18 110.22 -149.01 -90.73 112.94 81.79 3.21 15.00 53.61 15.77 12.36 7.95 7.03 0.00 1.66 1.62 5 S C C 76.43 4.18 11.00 16.74 112.20 -131.35 -91.29 127.05 78.47 1.67 19.87 32.88 18.50 27.77 10.28 8.83 0.01 0.77 0.97 6 G C C 44.96 5.99 12.01 19.24 109.71 21.54 69.08 -103.27 74.98 1.45 23.58 26.68 22.87 26.42 11.57 10.90 0.02 0.64 0.91 7 R C C 137.71 5.73 12.80 19.90 111.14 28.14 -88.14 123.76 68.89 3.68 27.43 43.99 14.19 10.77 15.57 11.80 0.02 1.99 1.68 8 Q C C 102.56 6.25 14.43 21.88 109.37 -126.11 -85.64 113.94 66.79 6.45 26.75 49.62 9.15 7.81 16.96 9.94 0.02 3.99 2.51 9 L C C 64.20 13.27 11.55 24.68 102.75 -132.09 -79.02 -0.66 67.94 3.85 28.21 42.52 11.91 13.64 17.97 10.11 0.02 2.24 1.59 10 N C C 97.34 5.56 14.16 20.85 102.60 64.86 -84.10 21.59 76.62 2.02 21.36 46.86 12.77 16.87 13.34 8.10 0.00 1.05 1.00 11 R C C 133.74 5.66 12.20 19.34 105.13 114.38 -84.78 0.19 80.50 1.10 18.40 34.19 31.25 15.35 12.95 5.08 0.01 0.44 0.74 12 N C C 93.69 3.64 13.60 18.24 109.78 43.41 -89.62 117.70 87.36 0.98 11.66 56.26 21.70 9.08 9.26 2.65 0.00 0.35 0.70 13 S H H 63.66 6.71 11.54 19.73 97.46 -143.61 -66.79 -36.92 23.40 0.17 76.44 8.95 7.48 7.57 74.02 1.82 0.01 0.05 0.10 14 S H H 80.86 1.61 15.37 16.68 93.47 54.26 -65.84 -38.91 12.25 0.08 87.67 3.54 2.22 6.45 86.08 1.62 0.01 0.03 0.05 15 H H H 101.16 4.08 15.93 20.96 92.85 49.41 -66.73 -39.40 5.29 0.06 94.66 2.43 0.75 2.18 93.24 1.34 0.00 0.02 0.02 16 R H H 53.64 15.52 14.13 29.63 91.80 51.61 -64.08 -42.12 1.73 0.02 98.25 0.78 0.22 0.73 97.80 0.46 0.00 0.01 0.01 17 Q H H 76.71 9.78 18.88 29.20 91.52 50.95 -63.24 -41.19 0.80 0.01 99.19 0.31 0.08 0.36 99.07 0.17 0.00 0.00 0.00 18 A H H 51.73 3.08 22.21 24.69 91.41 50.46 -63.50 -41.39 0.57 0.01 99.42 0.20 0.05 0.27 99.36 0.11 0.00 0.00 0.00 19 M H H 48.01 11.79 20.61 32.95 91.97 49.99 -64.79 -41.96 0.44 0.00 99.56 0.13 0.03 0.22 99.56 0.06 0.00 0.00 0.00 20 F H H 16.84 22.25 18.59 40.23 91.42 50.06 -63.42 -42.64 0.22 0.00 99.77 0.06 0.01 0.11 99.78 0.03 0.00 0.00 0.00 21 R H H 109.43 9.82 23.03 32.87 91.28 51.35 -62.74 -41.94 0.14 0.00 99.86 0.03 0.01 0.08 99.87 0.02 0.00 0.00 0.00 22 N H H 86.48 3.93 26.11 30.00 91.84 48.78 -65.39 -40.88 0.31 0.00 99.69 0.03 0.01 0.21 99.71 0.03 0.00 0.00 0.00 23 M H H 19.55 18.98 22.22 40.66 91.82 49.71 -64.71 -42.54 0.50 0.00 99.50 0.05 0.02 0.36 99.52 0.05 0.00 0.00 0.00 24 A H H 6.63 22.97 20.88 43.40 91.44 50.56 -62.98 -42.22 0.54 0.00 99.46 0.06 0.03 0.34 99.51 0.06 0.00 0.00 0.00 25 G H H 24.28 7.91 24.70 33.10 91.47 52.02 -63.82 -41.35 1.07 0.00 98.92 0.14 0.07 0.73 98.88 0.18 0.00 0.00 0.00 26 S H H 29.35 8.55 23.35 33.04 91.66 51.16 -65.50 -40.19 1.50 0.00 98.50 0.18 0.10 1.09 98.28 0.34 0.00 0.00 0.00 27 L H H 5.36 24.22 16.98 41.20 91.82 52.09 -64.41 -40.90 1.55 0.01 98.44 0.21 0.13 1.16 97.92 0.58 0.00 0.00 0.00 28 V H H 43.55 16.53 19.13 34.98 92.43 50.22 -67.40 -36.62 3.87 0.02 96.11 0.34 0.29 3.14 95.49 0.69 0.02 0.01 0.01 29 R H H 149.88 2.90 22.15 24.81 95.21 43.98 -78.12 -32.66 10.99 0.02 88.98 0.50 0.80 9.55 88.63 0.48 0.02 0.01 0.02 30 H H H 81.13 10.46 17.47 28.17 111.85 29.30 -115.22 61.54 45.19 0.34 54.47 14.32 8.26 21.19 55.05 0.85 0.02 0.11 0.20 31 E C S 94.08 13.61 17.81 30.73 95.63 -148.72 -1.82 -9.38 97.77 1.99 0.24 20.99 72.39 4.46 0.08 0.14 0.00 1.76 0.17 32 I E E 59.94 10.74 22.21 33.50 131.05 45.69 -136.40 141.58 35.03 64.48 0.49 27.08 5.43 1.82 0.12 0.32 0.00 64.60 0.63 33 I E E 10.36 23.88 16.46 40.49 124.05 -169.11 -125.13 132.62 19.16 80.70 0.14 18.20 0.62 0.09 0.06 0.06 0.00 80.34 0.64 34 K E E 105.34 7.77 25.63 34.17 117.34 -155.93 -106.93 130.42 13.47 86.44 0.09 12.89 0.50 0.07 0.04 0.04 0.00 85.89 0.57 35 T E E 14.51 20.89 15.83 36.45 139.90 155.06 -146.52 164.88 32.77 67.16 0.07 30.23 1.76 0.11 0.02 0.04 0.00 67.06 0.77 36 T C C 61.24 7.49 22.79 30.37 118.62 -104.17 -86.26 153.25 82.21 17.63 0.16 73.56 8.12 0.32 0.07 0.09 0.00 17.04 0.81 37 L H H 65.34 13.81 16.23 29.82 99.18 -107.76 -63.69 -42.30 14.03 0.12 85.84 4.35 5.27 4.49 84.85 0.92 0.01 0.04 0.06 38 P H H 79.35 2.91 22.50 24.69 92.07 50.94 -63.16 -39.08 6.42 0.02 93.56 0.97 0.80 4.29 92.74 1.16 0.01 0.01 0.01 39 K H H 60.99 12.78 19.68 32.54 92.25 48.69 -66.93 -38.86 3.07 0.02 96.91 0.72 0.32 1.86 95.83 1.25 0.00 0.01 0.01 40 A H H 3.72 23.86 15.00 39.11 91.57 53.48 -62.79 -42.30 0.71 0.00 99.28 0.21 0.07 0.32 99.00 0.40 0.00 0.00 0.00 41 K H H 105.29 5.54 23.94 29.85 91.51 51.41 -63.51 -41.11 0.44 0.00 99.56 0.06 0.02 0.26 99.45 0.20 0.00 0.00 0.00 42 E H H 79.02 6.23 23.90 30.49 91.59 50.23 -64.35 -41.79 0.75 0.00 99.25 0.05 0.03 0.57 99.14 0.21 0.00 0.00 0.00 43 L H H 3.41 25.47 17.99 43.62 91.54 50.42 -64.32 -41.71 0.70 0.00 99.29 0.06 0.03 0.50 99.29 0.12 0.00 0.00 0.00 44 R H H 77.34 17.51 20.77 36.64 91.08 54.27 -61.60 -40.38 0.31 0.00 99.69 0.03 0.01 0.20 99.57 0.19 0.00 0.00 0.00 45 R H H 146.44 2.51 25.48 27.67 91.40 51.34 -66.24 -37.07 0.83 0.00 99.17 0.03 0.02 0.73 98.83 0.39 0.00 0.00 0.00 46 V H H 29.22 16.01 21.46 37.02 96.08 44.45 -78.52 -37.46 3.18 0.00 96.81 0.06 0.08 3.20 96.24 0.42 0.00 0.00 0.00 47 V H H 1.21 27.79 18.48 46.99 93.07 50.32 -70.12 -38.71 2.63 0.00 97.37 0.09 0.14 2.18 97.45 0.15 0.00 0.00 0.00 48 E H H 75.46 12.05 23.69 35.44 91.31 59.57 -60.10 -42.97 0.87 0.00 99.13 0.11 0.04 0.51 98.77 0.56 0.00 0.00 0.00 49 P H H 55.40 5.94 25.71 32.32 91.28 50.76 -64.40 -39.94 0.62 0.00 99.38 0.05 0.02 0.44 98.93 0.55 0.00 0.00 0.00 50 L H H 4.22 24.62 20.96 45.25 91.75 50.25 -64.71 -43.04 0.20 0.00 99.80 0.01 0.01 0.14 99.31 0.53 0.00 0.00 0.00 51 I H H 10.10 22.98 21.62 43.97 91.51 49.78 -63.67 -42.41 0.31 0.00 99.69 0.03 0.02 0.23 99.27 0.45 0.00 0.00 0.00 52 T H H 71.05 4.16 27.12 31.21 91.63 50.86 -64.13 -41.66 1.94 0.00 98.05 0.11 0.10 1.69 97.06 1.03 0.00 0.00 0.00 53 L H H 33.33 12.96 21.51 35.13 91.63 51.02 -65.68 -37.48 4.52 0.00 95.48 0.20 0.25 4.01 93.19 2.34 0.00 0.00 0.00 54 A H H 3.14 25.29 14.36 40.13 90.93 57.81 -68.51 -24.47 25.60 0.07 74.33 1.98 1.50 21.72 71.53 3.16 0.03 0.03 0.05 55 K C T 110.46 9.23 21.28 30.57 93.19 59.20 -79.03 -16.54 58.13 0.19 41.68 5.59 4.96 45.82 40.17 3.23 0.02 0.08 0.13 56 T C C 74.12 4.82 19.84 25.15 114.43 71.21 -107.08 131.43 83.90 0.50 15.60 41.10 27.99 13.07 15.93 1.34 0.00 0.13 0.45 57 D C C 87.66 11.78 13.63 25.69 103.39 -137.32 -84.03 57.95 98.92 0.39 0.69 73.64 22.56 2.71 0.42 0.24 0.00 0.13 0.30 58 S C C 49.03 4.27 18.41 23.39 130.29 135.66 -117.25 163.61 97.53 1.22 1.25 68.92 27.61 0.66 1.17 0.18 0.00 0.25 1.22 59 V H H 92.73 6.19 14.71 22.47 91.62 -108.27 -59.75 -37.25 4.61 0.02 95.38 0.90 1.00 2.46 94.93 0.69 0.01 0.01 0.01 60 A H H 61.60 2.86 19.25 21.90 91.41 53.73 -63.57 -40.43 2.74 0.01 97.25 0.47 0.28 1.71 96.79 0.74 0.00 0.00 0.00 61 N H H 27.11 15.15 15.84 31.50 92.18 49.55 -66.14 -39.39 1.06 0.01 98.94 0.31 0.11 0.53 98.34 0.70 0.00 0.00 0.00 62 R H H 61.76 17.76 16.90 33.64 91.71 52.89 -62.65 -41.62 0.23 0.00 99.77 0.05 0.02 0.11 99.69 0.13 0.00 0.00 0.00 63 R H H 134.99 3.04 24.13 26.83 91.50 50.60 -64.04 -41.01 0.19 0.00 99.81 0.02 0.01 0.12 99.76 0.09 0.00 0.00 0.00 64 L H H 62.33 7.30 23.17 30.96 91.68 49.85 -64.34 -42.05 0.24 0.00 99.76 0.02 0.01 0.17 99.65 0.15 0.00 0.00 0.00 65 A H H 2.03 25.05 15.28 40.94 91.34 50.39 -63.31 -42.92 0.58 0.00 99.42 0.03 0.02 0.46 99.00 0.49 0.00 0.00 0.00 66 F H H 75.28 13.96 19.41 32.98 91.44 51.94 -64.28 -36.44 3.24 0.00 96.76 0.11 0.10 2.97 94.56 2.26 0.00 0.00 0.00 67 A H H 73.40 2.47 22.74 24.47 91.45 55.15 -67.75 -29.15 19.48 0.01 80.52 0.24 0.42 19.88 76.93 2.51 0.01 0.00 0.01 68 R H H 90.78 11.73 18.29 30.06 97.86 43.50 -91.32 -17.17 39.34 0.04 60.62 0.84 1.78 36.46 58.55 2.31 0.02 0.01 0.03 69 T C C 12.96 23.09 10.04 31.97 119.34 68.92 -104.70 138.59 92.92 1.93 5.16 74.85 13.18 3.42 5.32 0.59 0.00 0.43 2.21 70 R C S 177.16 2.08 19.70 21.85 95.23 -150.54 -77.67 -13.16 99.51 0.18 0.30 42.16 53.60 3.79 0.17 0.11 0.00 0.06 0.10 71 D C C 61.09 8.77 14.63 24.91 109.27 89.65 -96.27 107.27 99.57 0.14 0.29 77.33 20.84 1.40 0.17 0.09 0.00 0.04 0.13 72 N H H 99.00 7.74 14.42 24.01 93.48 -170.99 -66.32 -29.70 4.34 0.00 95.65 0.98 1.03 1.89 95.60 0.49 0.00 0.00 0.00 73 E H H 130.52 1.79 21.40 22.33 91.89 58.24 -64.62 -40.17 1.20 0.00 98.80 0.11 0.10 0.87 98.57 0.35 0.00 0.00 0.00 74 I H H 16.83 16.75 17.52 34.92 92.26 47.69 -65.25 -42.72 0.37 0.00 99.63 0.04 0.02 0.23 99.44 0.26 0.00 0.00 0.00 75 V H H 7.55 22.40 16.86 39.32 91.19 51.24 -62.26 -43.95 0.05 0.00 99.95 0.00 0.00 0.02 99.95 0.02 0.00 0.00 0.00 76 A H H 41.98 6.24 23.30 30.21 91.33 51.04 -62.56 -42.22 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 77 K H H 84.37 6.33 24.30 30.91 91.57 50.11 -64.31 -42.09 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 78 L H H 2.74 25.42 17.99 43.80 91.50 49.01 -63.47 -43.76 0.07 0.00 99.93 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 79 F H H 31.76 20.33 19.44 38.67 93.43 43.31 -70.13 -38.96 0.40 0.00 99.60 0.01 0.01 0.36 99.57 0.06 0.00 0.00 0.00 80 N H H 102.36 2.69 22.69 25.08 99.61 35.49 -87.59 -37.14 5.37 0.00 94.63 0.03 0.10 5.84 93.82 0.19 0.00 0.00 0.00 81 E H T 93.36 5.71 21.63 27.76 105.04 26.85 -101.59 -41.03 49.85 0.01 50.14 0.14 0.86 49.27 49.22 0.48 0.01 0.00 0.01 82 L H H 7.01 22.41 17.35 39.86 100.18 34.45 -85.88 -39.83 33.29 0.05 66.66 0.55 1.91 31.01 64.70 1.71 0.06 0.01 0.04 83 G H H 6.01 20.96 15.53 36.41 91.81 63.05 -59.53 -44.61 6.32 0.02 93.67 1.07 0.54 3.91 67.22 27.24 0.00 0.01 0.00 84 P H H 80.96 3.28 22.70 25.63 91.14 51.00 -64.49 -34.55 3.43 0.01 96.56 0.22 0.16 2.62 65.98 31.00 0.00 0.01 0.00 85 R H H 115.61 7.05 20.84 28.33 91.57 51.84 -69.08 -29.27 3.81 0.01 96.19 0.18 0.18 3.00 69.31 27.31 0.00 0.00 0.00 86 F H H 11.26 22.64 13.03 35.91 98.72 40.28 -101.53 -0.47 23.69 0.18 76.13 1.76 2.26 17.88 58.26 19.49 0.14 0.07 0.14 87 A C T 52.65 12.96 15.72 28.74 93.85 95.90 -61.76 -31.07 93.41 0.23 6.36 3.79 3.36 86.51 4.71 1.33 0.00 0.08 0.21 88 S C T 94.14 1.40 19.47 19.67 95.48 45.83 -87.11 3.84 97.72 0.12 2.16 2.28 6.09 89.69 0.70 1.10 0.00 0.07 0.06 89 R C C 82.40 13.85 11.77 25.79 118.35 104.70 -89.41 135.93 98.57 0.72 0.71 78.00 19.34 1.18 0.23 0.41 0.00 0.26 0.59 90 A C T 82.00 2.88 19.52 22.74 111.23 -116.50 -68.97 139.35 95.75 2.43 1.82 12.97 17.16 65.54 0.25 1.78 0.00 1.35 0.95 91 G C T 32.72 8.87 19.04 28.46 109.08 16.21 90.40 -8.12 95.28 3.39 1.32 5.49 22.07 67.66 0.07 1.56 0.00 2.64 0.51 92 G C C 14.51 17.08 18.58 34.89 121.75 -141.33 91.46 138.73 84.33 14.31 1.36 66.69 13.30 3.48 0.15 1.66 0.00 13.58 1.12 93 Y E E 46.44 17.90 23.73 40.36 108.73 -133.12 -106.72 -8.92 36.08 63.72 0.20 26.04 10.57 0.79 0.04 0.18 0.00 61.29 1.09 94 T E E 9.34 24.13 19.28 42.99 126.12 41.81 -120.82 139.80 3.91 96.07 0.02 3.26 0.44 0.04 0.00 0.01 0.00 96.16 0.08 95 R E E 77.46 11.96 26.33 38.27 129.11 -169.59 -128.87 141.95 0.56 99.44 0.00 0.48 0.02 0.00 0.00 0.00 0.00 99.48 0.01 96 I E E 36.87 20.51 18.60 38.30 119.13 -148.01 -108.40 127.86 0.24 99.76 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.77 0.00 97 L E E 41.28 13.09 21.17 34.87 123.57 -169.32 -119.28 134.96 0.29 99.71 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.73 0.00 98 K E E 101.96 9.98 20.93 31.36 113.18 -130.34 -84.68 128.15 1.39 98.61 0.00 1.22 0.05 0.00 0.00 0.00 0.00 98.69 0.03 99 C E E 26.35 17.33 15.37 32.48 117.85 -168.66 -115.09 134.31 16.44 83.52 0.04 14.61 1.18 0.10 0.01 0.02 0.00 83.86 0.22 100 G E E 24.22 6.66 20.66 28.27 138.84 -80.67 140.29 -173.39 26.07 73.86 0.07 19.22 6.03 0.51 0.01 0.06 0.00 73.78 0.39 101 F E E 114.14 8.06 15.65 24.86 119.67 -59.38 -95.90 141.59 24.36 75.42 0.22 21.17 2.23 0.28 0.10 0.15 0.00 69.80 6.27 102 R C C 92.84 9.93 10.73 21.95 114.57 -123.17 -84.83 132.10 57.15 42.52 0.33 51.97 3.22 0.50 0.13 0.23 0.00 37.41 6.54 103 A C T 88.27 2.36 11.26 15.34 108.43 -107.74 -63.81 134.43 94.81 1.47 3.72 3.53 13.68 76.78 0.16 4.37 0.00 1.13 0.34 104 G C T 69.15 0.28 12.58 10.25 97.90 18.70 81.84 -4.07 94.71 0.44 4.85 2.06 13.61 77.85 0.16 5.88 0.00 0.27 0.18 105 D C T 71.87 6.65 9.05 17.21 123.61 79.95 -122.44 146.45 91.24 2.74 6.02 12.26 38.80 38.97 0.25 7.19 0.00 1.64 0.90 106 N C S 129.41 1.80 14.59 16.99 96.07 -135.18 -80.69 10.70 96.31 2.99 0.70 29.13 42.50 24.63 0.06 0.79 0.00 2.37 0.52 107 A C C 32.16 10.30 13.06 25.15 120.99 119.82 -84.61 150.20 81.62 18.30 0.09 50.21 32.14 0.50 0.01 0.08 0.00 15.89 1.15 108 P E E 40.61 11.24 18.54 30.86 114.64 -104.33 -66.92 146.88 37.21 62.76 0.03 35.79 0.95 0.06 0.01 0.02 0.00 60.73 2.43 109 M E E 34.75 16.25 19.96 36.27 127.20 -151.12 -117.71 147.87 7.18 92.81 0.01 6.39 0.59 0.03 0.00 0.01 0.00 92.54 0.43 110 A E E 5.54 22.56 19.11 41.87 127.69 -155.19 -119.02 144.12 1.36 98.64 0.00 1.24 0.05 0.00 0.00 0.00 0.00 98.66 0.04 111 Y E E 50.46 12.68 26.27 39.52 120.13 -147.11 -108.86 133.03 0.61 99.39 0.00 0.55 0.02 0.00 0.00 0.00 0.00 99.42 0.01 112 I E E 3.98 25.71 19.02 45.49 120.83 -161.95 -113.65 130.83 0.48 99.52 0.00 0.46 0.01 0.00 0.00 0.00 0.00 99.53 0.01 113 E E E 54.20 11.29 26.90 38.60 124.25 -169.09 -118.29 135.92 0.52 99.48 0.00 0.48 0.02 0.00 0.00 0.00 0.00 99.49 0.01 114 L E E 18.14 21.09 17.78 38.99 114.57 -134.87 -87.97 129.30 3.29 96.71 0.01 2.79 0.37 0.04 0.00 0.01 0.00 96.62 0.16 115 V E E 37.11 12.78 18.22 32.03 120.57 -164.37 -111.46 136.39 24.50 75.37 0.13 20.67 2.88 0.48 0.03 0.10 0.00 75.13 0.71 116 D C C 81.84 7.48 15.86 24.33 116.30 -124.15 -93.03 133.57 55.73 44.14 0.14 49.14 3.77 0.88 0.02 0.13 0.00 45.11 0.95 117 R C C 141.95 7.12 15.21 23.42 103.82 -120.50 -84.02 53.89 99.63 0.37 0.00 99.57 0.12 0.03 0.00 0.00 0.00 0.27 0.01