# 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 D C C 92.55 3.51 13.39 17.95 105.31 -141.76 -83.81 97.48 99.88 0.01 0.10 99.79 0.06 0.06 0.07 0.00 0.00 0.00 0.00 1 K H H 133.37 3.13 10.78 15.42 95.05 161.90 -67.17 -31.56 27.19 0.08 72.73 20.85 0.85 4.84 72.26 1.13 0.00 0.03 0.04 2 K H H 132.22 2.25 12.03 15.30 93.15 55.52 -65.58 -39.22 10.53 0.05 89.42 4.79 1.39 4.08 88.41 1.29 0.00 0.02 0.02 3 S H H 61.33 2.15 13.54 16.13 92.56 50.66 -65.21 -40.54 5.34 0.03 94.63 2.58 0.69 1.94 93.59 1.17 0.00 0.01 0.01 4 A H H 51.23 2.97 13.75 17.77 92.11 51.02 -64.34 -41.09 2.75 0.02 97.23 1.27 0.36 1.03 96.67 0.64 0.00 0.01 0.01 5 R H H 114.23 5.16 14.62 20.96 92.14 50.83 -64.89 -41.11 1.52 0.01 98.47 0.61 0.19 0.60 98.35 0.25 0.00 0.00 0.00 6 I H H 86.46 4.28 15.80 21.10 92.30 50.00 -64.65 -41.33 1.16 0.01 98.83 0.42 0.12 0.48 98.82 0.15 0.00 0.00 0.00 7 R H H 140.20 1.77 18.32 19.26 92.13 50.03 -64.37 -41.63 1.07 0.01 98.92 0.32 0.10 0.49 98.97 0.12 0.00 0.00 0.00 8 R H H 116.72 4.28 18.39 23.13 91.82 49.48 -64.82 -41.25 0.79 0.00 99.20 0.19 0.07 0.37 99.28 0.09 0.00 0.00 0.00 9 A H H 28.90 10.58 15.47 27.41 92.06 50.97 -63.93 -41.20 0.94 0.00 99.05 0.21 0.07 0.47 99.16 0.09 0.00 0.00 0.00 10 T H H 66.51 3.74 19.54 23.52 91.89 49.98 -64.36 -41.64 1.00 0.00 98.99 0.21 0.08 0.51 99.12 0.09 0.00 0.00 0.00 11 R H H 125.81 2.28 21.14 22.29 92.06 49.84 -64.63 -41.65 0.78 0.00 99.22 0.16 0.06 0.38 99.31 0.09 0.00 0.00 0.00 12 A H H 25.13 11.10 16.70 29.17 91.87 50.21 -64.16 -41.72 1.02 0.00 98.98 0.21 0.07 0.53 99.08 0.11 0.00 0.00 0.00 13 R H H 96.09 11.47 17.62 29.18 91.63 51.59 -62.92 -41.14 1.14 0.00 98.86 0.24 0.08 0.59 98.96 0.12 0.00 0.00 0.00 14 R H H 133.86 2.14 20.87 21.99 91.74 50.78 -64.05 -41.54 1.01 0.00 98.98 0.23 0.08 0.51 99.03 0.15 0.00 0.00 0.00 15 K H H 103.99 4.08 19.41 23.84 91.90 50.39 -64.74 -41.10 1.27 0.01 98.72 0.28 0.11 0.70 98.65 0.27 0.00 0.00 0.00 16 L H H 27.38 16.92 13.06 30.10 92.31 50.14 -65.14 -40.84 1.61 0.01 98.38 0.36 0.15 0.91 97.99 0.57 0.00 0.00 0.00 17 Q H H 108.66 5.64 16.74 23.72 91.95 51.04 -64.01 -39.42 3.21 0.01 96.78 0.57 0.27 2.09 95.82 1.23 0.00 0.00 0.00 18 E H H 141.31 1.39 17.63 18.29 92.33 51.86 -67.82 -30.64 10.34 0.02 89.63 0.74 0.68 8.48 88.80 1.28 0.01 0.01 0.01 19 L H H 79.66 8.24 14.66 23.94 95.21 51.90 -82.15 -11.16 43.48 0.13 56.39 2.80 4.00 35.56 55.82 1.67 0.03 0.04 0.09 20 G C T 44.20 4.87 19.28 24.81 97.41 -116.74 79.35 15.04 97.27 0.35 2.37 23.99 6.65 67.04 1.47 0.56 0.00 0.17 0.11 21 A C C 24.20 15.87 15.93 32.16 118.41 145.32 -84.58 147.00 95.48 4.16 0.36 72.75 21.02 1.69 0.07 0.28 0.00 3.85 0.34 22 T C C 31.38 16.04 21.68 37.51 116.69 -124.00 -91.42 135.72 57.86 41.93 0.21 50.94 3.48 0.51 0.03 0.15 0.00 44.55 0.34 23 R E E 47.34 19.04 23.87 41.48 130.31 -170.52 -129.91 142.43 5.16 94.83 0.01 4.78 0.27 0.01 0.00 0.00 0.00 94.72 0.20 24 L E E 6.88 24.56 22.72 46.97 120.32 -154.64 -112.98 130.96 0.95 99.05 0.00 0.91 0.02 0.00 0.00 0.00 0.00 99.06 0.01 25 V E E 19.46 16.24 27.44 43.82 119.62 -164.43 -115.13 127.08 0.24 99.76 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.76 0.00 26 V E E 7.80 24.12 21.49 45.44 117.71 -164.16 -111.83 124.51 0.28 99.72 0.00 0.26 0.00 0.00 0.00 0.00 0.00 99.73 0.00 27 H E E 52.74 12.08 26.21 38.41 121.56 -169.49 -116.58 129.32 0.44 99.56 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.58 0.01 28 R E E 77.85 16.97 18.98 34.89 115.95 -156.91 -104.33 123.30 5.90 94.10 0.01 5.23 0.33 0.02 0.00 0.00 0.00 94.32 0.10 29 T C C 33.16 9.47 18.66 29.37 131.46 171.43 -122.10 174.26 82.31 17.67 0.02 80.29 1.07 0.06 0.00 0.01 0.00 18.34 0.22 30 P C S 88.00 6.54 17.03 24.75 91.59 -94.61 -63.44 -28.21 99.68 0.20 0.12 2.90 78.49 18.34 0.01 0.10 0.00 0.14 0.04 31 R C S 135.06 5.32 17.60 23.52 103.35 26.91 -107.37 -18.92 99.55 0.32 0.13 2.26 79.36 18.00 0.01 0.11 0.00 0.23 0.04 32 H E E 61.00 10.13 20.72 31.50 142.30 12.94 -154.90 158.17 37.41 62.55 0.04 29.41 6.44 0.25 0.00 0.04 0.00 63.46 0.39 33 I E E 8.49 23.55 17.15 41.30 119.75 -134.61 -112.45 129.93 1.72 98.28 0.00 1.65 0.04 0.00 0.00 0.00 0.00 98.29 0.02 34 Y E E 42.23 13.05 26.77 40.41 123.65 -168.72 -119.37 138.21 0.12 99.88 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 35 A E E 2.06 26.21 20.09 46.86 127.82 -170.13 -126.31 142.57 0.06 99.94 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 36 Q E E 31.98 15.35 28.58 44.05 126.76 -168.87 -124.83 137.96 0.08 99.92 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 37 V E E 3.19 25.12 22.92 48.44 118.09 -154.41 -108.61 127.59 0.15 99.85 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.87 0.00 38 I E E 16.77 16.21 23.85 40.60 126.74 -172.05 -122.41 140.52 0.93 99.07 0.00 0.90 0.03 0.00 0.00 0.00 0.00 98.93 0.15 39 A C C 15.34 14.41 19.37 34.77 118.26 -117.88 -73.59 154.29 69.45 30.50 0.05 67.56 0.97 0.09 0.01 0.03 0.00 31.01 0.33 40 P C T 55.60 14.86 15.79 30.80 91.63 -107.51 -61.27 -26.07 95.81 0.77 3.42 2.41 10.55 82.09 0.10 4.10 0.00 0.59 0.16 41 N C T 110.96 2.45 19.89 22.04 93.61 56.10 -87.01 0.17 95.57 0.51 3.92 1.64 9.64 83.56 0.12 4.53 0.00 0.32 0.18 42 G C S 30.59 13.41 12.80 25.99 96.88 -106.63 83.31 5.77 94.08 1.29 4.63 16.36 45.03 31.71 0.24 5.47 0.00 0.77 0.43 43 S C C 72.92 3.77 18.66 23.14 97.12 109.82 -85.10 -20.49 96.93 2.06 1.01 42.49 40.88 13.63 0.14 0.95 0.00 1.47 0.43 44 E C C 99.47 5.94 19.58 26.44 124.81 46.33 -117.07 140.32 66.81 32.49 0.70 46.57 19.66 1.51 0.21 0.55 0.00 27.47 4.03 45 V E E 56.89 16.68 16.13 32.16 111.32 -132.90 -86.51 121.70 5.08 94.88 0.03 4.87 0.32 0.03 0.01 0.01 0.00 94.16 0.59 46 L E E 41.24 15.62 21.22 36.64 99.38 177.44 -91.03 -32.96 2.84 97.15 0.01 1.43 1.26 0.04 0.00 0.00 0.00 97.23 0.03 47 V E E 11.92 20.37 22.17 42.53 140.80 2.56 -153.27 148.62 0.26 99.74 0.00 0.20 0.02 0.00 0.00 0.00 0.00 99.78 0.00 48 A E E 33.82 19.13 24.00 41.18 133.55 -171.40 -138.83 144.06 0.27 99.72 0.00 0.24 0.01 0.00 0.00 0.00 0.00 99.74 0.00 49 A E E 8.27 21.98 22.57 43.81 133.80 -176.08 -139.86 148.26 1.02 98.97 0.00 0.97 0.03 0.00 0.00 0.00 0.00 98.96 0.04 50 S E E 23.19 16.32 23.59 39.35 135.18 -172.78 -138.49 152.47 11.54 88.33 0.13 10.34 0.94 0.11 0.05 0.07 0.00 88.12 0.37 51 T C S 33.62 18.00 18.83 36.21 96.86 -138.94 -80.11 -15.75 70.87 17.02 12.11 29.11 29.28 13.76 6.57 4.66 0.10 15.08 1.44 52 V C C 70.17 10.19 21.18 31.40 96.52 64.69 -85.93 -5.72 76.96 3.34 19.70 37.39 22.54 17.32 14.93 4.73 0.04 1.95 1.09 53 E H H 67.73 15.13 15.63 30.14 108.31 93.85 -76.21 120.33 42.08 0.86 57.06 27.59 9.24 6.61 51.58 4.23 0.01 0.38 0.36 54 K H H 138.03 3.54 18.91 23.49 93.88 -132.65 -64.40 -36.87 12.09 0.19 87.73 4.07 2.55 6.23 82.67 4.26 0.03 0.10 0.08 55 A H H 53.33 4.60 20.38 25.31 92.43 52.34 -65.44 -39.43 9.58 0.18 90.24 3.17 1.64 5.38 84.96 4.62 0.04 0.11 0.07 56 I H H 12.08 20.61 14.92 35.42 92.59 49.15 -66.31 -41.40 6.30 0.15 93.54 2.25 1.10 3.34 89.49 3.66 0.02 0.09 0.05 57 A H H 32.11 14.54 17.04 31.57 91.80 53.64 -62.50 -41.84 4.29 0.08 95.63 1.45 0.64 2.30 92.47 3.05 0.01 0.05 0.02 58 E H H 117.61 1.76 23.08 22.92 92.08 50.48 -65.09 -40.00 6.23 0.07 93.70 1.18 0.75 4.30 89.08 4.61 0.03 0.04 0.03 59 Q H H 72.33 8.23 18.71 27.78 92.47 49.91 -67.35 -37.84 9.36 0.07 90.56 1.57 1.14 6.57 85.42 5.20 0.03 0.04 0.04 60 L H H 18.30 20.96 12.07 32.25 93.39 52.93 -68.88 -32.99 19.12 0.19 80.69 5.84 3.07 10.48 74.10 6.29 0.03 0.09 0.10 61 K H H 135.78 4.23 17.87 23.47 92.99 59.69 -67.41 -31.12 31.85 0.34 67.81 6.77 4.23 21.24 60.96 6.38 0.07 0.17 0.19 62 Y H H 172.18 1.60 17.20 18.27 99.19 40.67 -89.09 -15.85 43.82 0.46 55.72 7.06 8.15 29.33 49.72 5.17 0.10 0.18 0.30 63 T C H 68.20 7.28 14.91 23.06 104.12 37.19 -102.38 -12.55 61.82 0.90 37.28 16.67 19.96 26.17 33.07 3.18 0.05 0.29 0.62 64 G C C 44.28 8.24 16.50 25.45 99.48 -124.89 79.57 13.25 96.25 0.95 2.80 59.42 19.17 17.94 1.51 1.03 0.00 0.43 0.49 65 N C C 66.36 9.57 18.62 28.82 112.96 140.24 -90.73 123.97 89.41 2.05 8.54 67.95 18.61 1.82 8.76 0.68 0.00 0.46 1.73 66 K H H 88.63 15.72 17.99 32.55 94.71 -160.05 -65.79 -34.77 5.95 0.03 94.03 1.68 1.33 2.71 93.69 0.55 0.00 0.01 0.01 67 D H H 89.66 4.18 26.18 30.93 91.79 53.62 -64.52 -40.29 2.16 0.01 97.84 0.48 0.23 1.25 97.58 0.45 0.00 0.00 0.00 68 A H H 11.59 16.73 22.71 39.59 91.65 50.13 -64.57 -42.04 0.41 0.00 99.59 0.08 0.03 0.23 99.39 0.27 0.00 0.00 0.00 69 A H H 1.51 26.45 21.74 48.21 91.41 51.51 -63.89 -42.57 0.17 0.00 99.83 0.02 0.01 0.10 99.73 0.13 0.00 0.00 0.00 70 A H H 27.81 14.88 28.15 42.89 91.54 50.94 -63.70 -42.43 0.15 0.00 99.85 0.01 0.01 0.10 99.82 0.06 0.00 0.00 0.00 71 A H H 28.98 9.39 30.18 41.61 91.34 50.62 -63.42 -42.73 0.15 0.00 99.85 0.01 0.01 0.10 99.85 0.04 0.00 0.00 0.00 72 V H H 1.75 26.09 27.39 53.05 91.71 49.19 -64.38 -43.66 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 73 G H H 0.57 27.37 25.65 52.95 91.49 50.96 -63.04 -43.35 0.15 0.00 99.85 0.01 0.00 0.10 99.87 0.02 0.00 0.00 0.00 74 K H H 81.05 10.91 30.02 41.97 91.38 50.17 -63.80 -41.85 0.18 0.00 99.82 0.01 0.00 0.11 99.86 0.01 0.00 0.00 0.00 75 A H H 20.21 11.70 29.01 42.31 91.38 50.16 -63.53 -43.02 0.16 0.00 99.84 0.01 0.00 0.09 99.88 0.01 0.00 0.00 0.00 76 V H H 1.26 26.72 26.19 52.64 91.63 49.18 -64.51 -43.83 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 77 A H H 2.28 25.28 23.49 48.32 91.17 51.20 -63.01 -43.14 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 78 E H H 87.28 5.76 29.01 35.74 91.30 50.23 -63.33 -42.47 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 79 R H H 67.20 10.56 25.77 36.72 91.79 49.39 -64.79 -41.49 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 80 A H H 1.12 26.46 16.08 43.50 91.05 50.93 -63.30 -43.17 0.19 0.00 99.81 0.01 0.01 0.13 99.78 0.07 0.00 0.00 0.00 81 L H H 63.38 14.44 19.22 33.03 91.35 50.29 -62.91 -41.14 0.55 0.00 99.45 0.02 0.01 0.47 99.15 0.34 0.00 0.00 0.00 82 E H H 145.00 1.42 21.72 22.17 89.98 53.67 -64.66 -28.54 5.89 0.00 94.11 0.06 0.10 6.20 93.23 0.41 0.00 0.00 0.00 83 K C T 94.95 9.85 16.43 27.06 92.93 52.99 -88.31 0.85 79.76 0.01 20.22 0.18 0.56 79.19 19.52 0.53 0.00 0.00 0.01 84 G C T 41.99 4.31 22.86 27.65 98.67 -99.99 92.03 10.50 99.90 0.00 0.10 0.54 0.50 98.92 0.03 0.01 0.00 0.00 0.00 85 I C C 9.38 24.68 10.42 35.05 111.66 150.83 -78.34 124.78 87.46 12.47 0.07 87.96 0.38 0.06 0.02 0.02 0.00 11.03 0.53 86 K C C 124.37 4.76 23.52 29.31 101.49 174.59 -104.97 -16.56 77.22 22.68 0.10 64.29 10.81 0.42 0.01 0.09 0.00 24.00 0.37 87 D E E 63.95 9.09 25.08 34.92 128.55 38.80 -134.03 138.04 12.76 87.09 0.15 10.30 2.06 0.26 0.02 0.09 0.00 87.02 0.24 88 V E E 6.07 25.98 16.49 42.94 127.98 -171.48 -132.45 138.51 2.11 97.85 0.04 1.97 0.10 0.02 0.01 0.01 0.00 97.75 0.13 89 S E E 29.03 13.04 27.14 40.32 127.70 -169.41 -122.21 142.18 2.37 97.60 0.03 2.25 0.10 0.01 0.01 0.01 0.00 97.46 0.15 90 F E E 18.06 23.67 17.98 41.20 127.46 -167.52 -123.97 137.32 15.26 84.69 0.05 14.68 0.46 0.05 0.02 0.02 0.00 84.40 0.38 91 D C C 62.07 9.60 23.00 32.82 109.36 -143.42 -95.68 112.91 53.99 45.78 0.22 47.04 4.76 0.57 0.05 0.17 0.00 46.58 0.84 92 R C C 59.53 17.52 13.45 30.75 100.61 172.64 -102.19 8.34 87.83 7.45 4.72 72.69 8.47 6.22 0.92 4.23 0.00 5.73 1.74 93 S C T 73.90 5.10 14.76 21.68 106.13 134.70 -64.42 116.61 89.67 2.83 7.50 19.14 14.83 55.32 0.96 6.92 0.00 1.77 1.05 94 G C T 62.17 1.33 16.10 16.77 97.33 9.27 83.31 -0.14 89.58 1.29 9.13 9.42 22.24 57.59 0.87 8.59 0.00 0.76 0.54 95 F C C 79.59 12.80 9.47 22.29 123.29 96.86 -105.09 149.37 89.00 4.13 6.87 48.32 30.88 9.28 1.33 5.86 0.00 1.99 2.33 96 Q C C 132.86 2.18 19.02 21.14 112.70 -121.32 -86.69 133.10 94.45 2.80 2.74 74.98 12.74 6.59 0.73 2.05 0.00 1.62 1.28 97 Y C C 86.87 17.11 10.41 26.39 116.90 -134.46 -96.53 130.18 94.31 3.26 2.44 80.65 10.13 3.28 1.15 1.19 0.00 1.44 2.16 98 H C C 104.93 4.54 17.33 23.27 130.86 171.57 -137.95 158.90 95.51 1.08 3.41 84.55 8.72 1.88 3.23 0.50 0.00 0.39 0.73 99 G H H 45.67 3.04 19.55 22.90 113.34 -25.45 63.59 -136.06 22.70 0.12 77.17 4.00 10.09 8.70 75.97 1.10 0.03 0.03 0.08 100 R H H 83.92 15.22 18.99 33.49 92.93 -7.13 -67.55 -32.09 5.60 0.03 94.37 1.03 0.91 3.45 93.72 0.85 0.01 0.01 0.01 101 V H H 7.21 24.47 17.52 41.61 91.84 55.85 -64.31 -41.04 1.73 0.02 98.25 0.49 0.20 0.90 97.82 0.57 0.00 0.01 0.00 102 Q H H 78.54 9.89 24.94 34.87 91.51 52.99 -63.07 -41.35 0.34 0.00 99.65 0.08 0.03 0.16 99.56 0.17 0.00 0.00 0.00 103 A H H 28.12 8.68 25.60 35.51 91.50 51.21 -64.11 -41.82 0.21 0.00 99.79 0.03 0.01 0.12 99.76 0.08 0.00 0.00 0.00 104 L H H 4.05 24.96 23.29 47.56 92.08 49.51 -64.83 -42.76 0.14 0.00 99.86 0.01 0.00 0.09 99.84 0.05 0.00 0.00 0.00 105 A H H 6.81 21.52 22.84 43.82 91.20 50.72 -62.36 -43.45 0.12 0.00 99.88 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 106 D H H 73.32 4.02 28.60 32.84 91.43 50.14 -63.57 -41.69 0.19 0.00 99.81 0.02 0.01 0.11 99.84 0.02 0.00 0.00 0.00 107 A H H 13.12 13.51 22.67 37.26 91.38 50.70 -63.37 -42.80 0.17 0.00 99.83 0.01 0.01 0.10 99.83 0.04 0.00 0.00 0.00 108 A H H 1.94 25.77 16.41 42.76 91.10 50.43 -63.26 -43.08 0.29 0.00 99.71 0.04 0.02 0.19 99.66 0.10 0.00 0.00 0.00 109 R H H 122.76 8.69 20.77 30.08 91.54 50.00 -62.82 -41.18 0.87 0.00 99.13 0.10 0.06 0.63 98.96 0.25 0.00 0.00 0.00 110 E H H 137.65 1.99 21.52 23.17 90.42 52.72 -64.71 -30.34 5.43 0.00 94.57 0.13 0.17 5.11 94.28 0.30 0.00 0.00 0.00 111 A C T 31.20 14.25 14.25 29.23 92.80 54.42 -85.23 -1.57 74.27 0.02 25.71 0.34 0.79 72.02 26.32 0.51 0.00 0.00 0.02 112 G C T 50.00 2.68 21.91 24.51 96.82 -102.93 86.01 10.60 99.61 0.01 0.38 1.62 1.07 97.08 0.17 0.05 0.00 0.01 0.00 113 L C C 16.75 22.86 9.39 31.36 117.02 141.18 -85.25 138.60 97.99 1.62 0.39 95.46 2.06 0.76 0.14 0.19 0.00 1.05 0.34 114 Q C C 124.17 2.75 22.46 25.40 114.36 -141.70 -95.02 129.66 75.43 24.09 0.48 75.20 0.77 1.02 0.21 0.18 0.00 15.56 7.05 115 F C C 50.01 21.53 13.90 33.91 115.99 -157.42 -97.42 128.37 97.54 2.45 0.01 98.16 0.08 0.01 0.00 0.00 0.00 1.61 0.13