# 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 97.98 9.15 12.22 22.09 113.57 -162.81 -89.18 128.80 99.94 0.05 0.01 99.87 0.08 0.03 0.00 0.00 0.00 0.02 0.01 1 G C C 45.26 4.64 11.79 17.83 115.12 -151.63 -79.98 170.83 90.63 1.01 8.36 82.00 1.59 8.28 3.12 3.94 0.00 0.52 0.55 2 D C C 113.65 2.75 10.66 14.87 102.73 -89.70 -82.52 15.48 78.46 1.81 19.73 39.32 18.13 21.40 5.15 14.19 0.00 0.88 0.92 3 T C C 89.76 4.67 10.75 17.04 105.17 88.81 -86.42 29.68 72.66 2.37 24.96 38.33 16.16 18.62 6.34 18.30 0.00 1.26 1.01 4 D C C 88.80 6.43 12.40 20.17 107.28 98.40 -87.99 98.62 74.78 3.72 21.50 46.67 15.68 12.56 6.28 15.27 0.01 2.18 1.35 5 K C C 104.12 9.43 14.02 24.14 112.74 127.40 -98.32 111.75 79.80 9.51 10.69 61.28 11.65 6.82 4.48 6.20 0.00 7.41 2.16 6 E C C 97.54 8.82 17.67 27.18 122.02 145.58 -104.91 141.42 74.57 21.09 4.34 59.40 11.58 2.90 2.73 1.80 0.00 16.49 5.11 7 Y C C 43.18 19.62 13.57 32.56 117.99 -137.77 -97.54 133.63 71.71 26.65 1.64 62.72 7.49 0.78 1.40 0.49 0.00 17.62 9.50 8 I C C 64.31 8.22 21.51 30.48 107.85 -140.54 -92.19 107.75 90.53 8.05 1.42 89.89 1.39 0.38 1.18 0.21 0.00 5.44 1.50 9 S H H 28.49 17.85 14.01 31.45 94.18 -153.99 -62.19 -39.33 4.13 0.04 95.83 2.08 0.67 1.44 95.13 0.65 0.00 0.02 0.01 10 E H H 126.36 2.27 21.05 22.95 91.82 53.84 -64.10 -39.74 0.99 0.01 99.00 0.21 0.10 0.55 98.70 0.43 0.00 0.00 0.00 11 E H H 84.64 6.34 20.33 27.23 92.02 48.71 -66.04 -40.66 0.44 0.00 99.55 0.10 0.04 0.24 99.22 0.40 0.00 0.00 0.00 12 V H H 5.35 23.95 15.10 39.31 91.91 49.93 -64.31 -43.30 0.23 0.00 99.77 0.05 0.02 0.11 99.71 0.11 0.00 0.00 0.00 13 Q H H 63.61 13.58 20.33 33.49 91.41 51.93 -62.15 -41.93 0.17 0.00 99.83 0.03 0.01 0.09 99.84 0.03 0.00 0.00 0.00 14 K H H 123.84 1.99 25.23 25.75 91.78 49.98 -64.52 -41.33 0.17 0.00 99.83 0.02 0.01 0.10 99.85 0.02 0.00 0.00 0.00 15 A H H 19.75 12.76 21.26 34.81 91.61 49.61 -63.82 -42.87 0.17 0.00 99.83 0.01 0.01 0.11 99.85 0.02 0.00 0.00 0.00 16 I H H 6.05 24.57 18.61 43.14 91.68 48.85 -63.95 -43.54 0.16 0.00 99.84 0.02 0.01 0.09 99.86 0.02 0.00 0.00 0.00 17 D H H 62.85 10.78 22.71 33.34 91.43 50.84 -62.50 -42.18 0.19 0.00 99.81 0.02 0.01 0.11 99.83 0.03 0.00 0.00 0.00 18 D H H 76.27 3.04 25.06 27.14 91.65 49.41 -64.47 -41.68 0.33 0.00 99.67 0.03 0.02 0.22 99.68 0.05 0.00 0.00 0.00 19 S H H 13.64 14.74 19.70 35.31 91.94 50.12 -64.13 -42.86 0.62 0.00 99.38 0.07 0.04 0.41 99.39 0.09 0.00 0.00 0.00 20 V H H 10.97 21.92 17.21 38.87 91.83 49.29 -64.23 -42.40 1.13 0.02 98.85 0.18 0.10 0.73 98.75 0.23 0.01 0.01 0.00 21 K H H 109.64 7.34 19.97 28.04 91.56 51.32 -63.37 -39.76 2.27 0.04 97.69 0.31 0.19 1.68 97.24 0.55 0.01 0.02 0.01 22 Q H H 118.10 2.80 21.24 23.93 93.16 48.31 -69.17 -36.97 6.25 0.05 93.70 0.45 0.40 5.37 92.95 0.77 0.03 0.03 0.02 23 V H H 43.46 14.09 17.59 31.56 99.49 38.08 -84.77 -38.41 12.53 0.15 87.32 0.92 1.25 10.54 86.23 0.84 0.09 0.07 0.06 24 F H H 45.21 17.41 15.97 32.67 101.63 31.44 -95.69 -14.18 32.57 2.48 64.95 5.92 8.32 20.73 60.69 1.65 0.50 1.02 1.18 25 G C C 28.71 7.79 18.46 27.38 115.48 -129.08 83.29 149.22 81.77 6.00 12.23 45.38 10.69 25.69 9.39 3.12 0.01 4.32 1.39 26 I C C 74.85 11.58 13.37 25.41 116.24 -131.16 -92.80 134.31 71.05 15.78 13.17 46.81 12.95 11.28 8.28 5.27 0.06 11.56 3.79 27 K C C 111.72 6.08 13.58 21.16 117.51 -153.40 -102.87 134.95 69.14 20.16 10.69 47.33 11.64 9.78 6.48 4.61 0.05 15.50 4.61 28 D C C 95.12 5.20 11.00 17.95 110.65 -146.57 -92.79 117.32 75.98 16.12 7.90 48.53 14.00 13.72 3.95 3.87 0.02 12.84 3.07 29 D C C 101.48 3.36 10.13 15.08 104.54 138.82 -93.36 29.84 84.99 9.39 5.62 47.85 17.94 19.85 2.14 3.24 0.01 6.72 2.27 30 S C C 85.85 2.33 9.51 13.24 102.64 52.61 -80.62 2.80 91.16 3.26 5.58 37.10 22.38 32.29 1.49 3.78 0.00 1.93 1.04 31 S C T 90.00 1.63 10.00 12.59 101.22 51.45 -85.53 8.09 92.35 2.23 5.43 30.22 28.08 34.53 1.29 3.85 0.00 1.27 0.77 32 Q C C 119.58 3.55 9.92 15.10 110.10 105.20 -95.13 110.34 82.25 10.64 7.11 38.28 27.04 18.22 2.19 4.57 0.02 7.38 2.30 33 V C C 83.80 6.72 10.32 18.65 115.71 -153.63 -100.62 127.55 67.74 25.38 6.87 43.43 15.70 9.23 2.87 4.00 0.05 21.03 3.68 34 T C C 78.59 5.62 13.98 21.16 117.44 -153.31 -105.01 130.15 57.03 36.35 6.62 39.89 11.98 5.87 3.44 3.40 0.06 30.99 4.37 35 I C C 55.65 14.13 11.88 26.42 116.73 -154.74 -101.06 129.28 53.23 40.37 6.40 42.47 7.07 2.98 4.30 2.62 0.05 35.29 5.22 36 T C C 73.47 5.91 19.21 25.96 120.36 -161.90 -108.12 138.17 63.22 30.80 5.98 50.69 8.32 3.34 4.02 2.31 0.01 27.43 3.90 37 Y C C 64.67 18.05 11.52 28.59 113.73 -125.59 -86.50 130.17 75.07 18.23 6.70 57.46 13.01 3.99 4.75 2.54 0.02 13.54 4.69 38 N C C 76.82 5.58 17.79 24.24 111.44 -164.53 -102.52 111.67 91.93 3.36 4.71 83.54 6.06 2.28 3.91 1.05 0.00 2.11 1.05 39 K H H 112.52 9.72 12.89 23.57 94.03 -154.78 -62.21 -35.12 22.36 0.26 77.38 3.76 3.68 14.59 67.34 10.24 0.12 0.13 0.15 40 D H H 114.33 1.14 17.96 17.75 92.73 54.06 -66.78 -35.10 21.62 0.12 78.25 1.94 2.05 16.79 68.77 10.22 0.09 0.06 0.07 41 K H H 89.81 7.37 16.92 25.16 94.76 45.54 -76.42 -33.88 15.26 0.14 84.59 2.41 1.50 10.74 74.65 10.50 0.06 0.08 0.06 42 V H H 10.87 21.29 12.52 33.51 92.07 54.60 -63.47 -43.43 2.42 0.01 97.56 0.86 0.36 1.07 97.04 0.65 0.00 0.01 0.00 43 N H H 74.10 7.98 19.80 28.45 91.59 51.82 -63.20 -40.65 0.99 0.00 99.00 0.28 0.08 0.50 98.88 0.27 0.00 0.00 0.00 44 L H H 92.81 2.36 23.51 24.37 91.96 49.81 -65.00 -41.70 0.46 0.00 99.54 0.09 0.03 0.26 99.46 0.17 0.00 0.00 0.00 45 W H H 41.18 15.01 19.99 35.25 92.08 49.07 -64.58 -42.84 0.22 0.00 99.78 0.04 0.01 0.12 99.77 0.07 0.00 0.00 0.00 46 T H H 9.79 22.21 18.34 40.17 91.58 50.57 -63.29 -42.85 0.17 0.00 99.83 0.02 0.01 0.09 99.85 0.02 0.00 0.00 0.00 47 Q H H 86.83 6.81 23.75 30.85 91.68 50.88 -63.91 -40.96 0.11 0.00 99.89 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 48 Q H H 86.84 4.33 25.27 29.43 91.78 49.45 -64.92 -41.87 0.09 0.00 99.91 0.01 0.00 0.06 99.93 0.01 0.00 0.00 0.00 49 I H H 7.24 21.74 20.64 42.33 91.46 49.20 -63.77 -44.14 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 50 I H H 12.20 21.78 20.74 41.98 91.22 49.60 -63.06 -43.47 0.03 0.00 99.97 0.00 0.00 0.02 99.98 0.00 0.00 0.00 0.00 51 D H H 76.34 4.29 25.66 29.90 91.44 50.39 -63.54 -42.00 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 52 Y H H 86.41 7.83 24.47 32.71 91.78 48.69 -64.90 -41.87 0.06 0.00 99.94 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 53 T H H 3.20 24.68 19.12 43.88 91.70 49.21 -63.89 -43.61 0.18 0.00 99.82 0.01 0.01 0.15 99.81 0.02 0.00 0.00 0.00 54 I H H 36.05 17.18 21.61 37.99 91.45 49.72 -62.90 -42.63 0.44 0.00 99.56 0.03 0.02 0.36 99.48 0.10 0.00 0.00 0.00 55 R H H 135.26 2.11 25.93 26.60 91.52 49.89 -63.91 -41.48 1.05 0.00 98.95 0.06 0.07 0.91 98.59 0.36 0.00 0.00 0.00 56 G H H 13.83 10.79 20.16 32.38 91.90 50.25 -64.54 -41.80 3.32 0.00 96.68 0.20 0.22 2.84 95.72 1.00 0.00 0.00 0.00 57 L H H 5.88 23.83 14.07 38.04 91.91 50.55 -64.89 -40.49 4.54 0.02 95.44 0.47 0.41 3.48 92.82 2.80 0.01 0.01 0.01 58 N H H 84.44 7.74 18.04 26.65 91.60 53.38 -64.80 -37.08 13.20 0.05 86.75 1.28 0.99 10.44 82.71 4.51 0.02 0.03 0.03 59 K H H 149.73 1.65 18.99 20.15 91.67 55.04 -67.94 -26.60 35.21 0.10 64.69 2.52 2.28 29.70 60.88 4.47 0.03 0.05 0.07 60 L C T 57.30 12.67 12.21 25.37 94.97 58.04 -79.82 -11.21 64.60 0.45 34.95 6.78 10.93 45.47 32.10 4.13 0.06 0.17 0.37 61 G C T 53.97 2.48 18.25 20.92 99.14 -109.17 82.76 13.24 96.44 0.38 3.18 34.48 14.23 48.20 1.52 1.19 0.00 0.17 0.20 62 K C C 96.02 10.06 13.77 24.67 120.31 128.91 -96.55 143.20 98.82 0.65 0.53 64.74 30.25 3.88 0.11 0.42 0.00 0.31 0.29 63 H C C 114.61 6.09 18.02 25.04 109.26 -114.77 -81.51 120.21 97.49 2.21 0.31 69.43 24.43 3.68 0.04 0.33 0.00 1.75 0.34 64 F C C 35.34 18.22 13.97 32.00 135.69 144.20 -136.44 157.80 59.98 39.89 0.12 46.64 12.19 0.63 0.02 0.13 0.00 39.54 0.86 65 K E E 86.64 9.00 23.79 33.12 121.84 -131.93 -110.11 137.89 11.34 88.63 0.02 9.65 1.13 0.06 0.00 0.02 0.00 88.96 0.18 66 Y E E 21.91 23.24 16.62 39.52 125.84 -164.33 -122.15 137.04 0.80 99.20 0.00 0.71 0.03 0.00 0.00 0.00 0.00 99.24 0.02 67 C E E 39.36 9.57 25.55 35.85 119.24 -164.35 -115.27 126.28 0.21 99.78 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.00 68 V E E 8.62 24.31 17.39 41.77 123.25 -169.89 -119.24 131.97 0.18 99.82 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.84 0.00 69 T E E 46.61 8.86 26.76 36.21 119.81 -165.70 -115.71 127.78 0.29 99.71 0.00 0.24 0.01 0.00 0.00 0.00 0.00 99.74 0.00 70 A E E 8.52 24.16 16.38 40.47 124.27 -169.23 -121.14 134.50 0.70 99.29 0.01 0.61 0.02 0.00 0.00 0.00 0.00 99.36 0.01 71 I E E 57.94 8.46 26.00 35.23 120.31 -165.37 -116.82 127.40 0.72 99.27 0.01 0.62 0.03 0.00 0.00 0.00 0.00 99.34 0.01 72 L E E 28.37 20.12 17.58 37.66 116.87 -159.73 -106.37 126.54 1.28 98.71 0.01 1.12 0.05 0.00 0.00 0.00 0.00 98.79 0.03 73 Q E E 58.76 10.41 19.93 31.17 127.98 -176.76 -125.07 145.04 4.69 95.28 0.03 4.26 0.23 0.03 0.01 0.01 0.00 95.25 0.19 74 Q E E 77.51 10.50 15.89 27.24 116.49 -138.02 -95.58 135.88 20.84 78.97 0.19 17.79 2.64 0.44 0.06 0.12 0.00 78.34 0.60 75 T C C 74.25 8.91 12.55 22.54 113.72 -135.99 -94.27 125.95 68.50 29.39 2.12 35.68 24.29 9.64 0.35 1.70 0.01 26.98 1.36 76 N C C 100.62 4.24 11.91 17.67 116.34 138.31 -111.11 128.88 81.86 15.03 3.12 41.62 26.05 15.17 0.54 2.72 0.01 11.83 2.07 77 H C S 162.97 1.46 12.07 14.08 100.84 -101.61 -67.64 8.74 90.00 5.10 4.89 32.63 33.63 24.40 0.84 3.99 0.00 3.34 1.16 78 A C S 75.38 3.57 10.51 15.70 108.43 102.02 -94.00 79.05 85.76 8.84 5.40 31.45 31.56 23.87 1.39 3.78 0.00 6.51 1.44 79 G C C 41.71 4.61 13.20 19.24 123.35 -118.80 110.64 174.96 65.51 31.34 3.15 38.52 20.74 7.97 1.25 1.97 0.01 27.51 2.03 80 I E E 92.39 9.69 10.67 21.36 121.18 -75.55 -108.42 136.36 41.06 56.25 2.69 34.43 4.96 1.73 1.80 1.00 0.00 53.71 2.38 81 S E E 63.54 5.81 15.44 23.07 123.14 -166.63 -118.62 136.90 28.27 68.77 2.97 24.29 2.89 1.17 2.21 0.84 0.00 66.89 1.72 82 V E E 78.51 11.37 12.24 24.61 126.86 -168.53 -129.00 137.56 30.24 66.66 3.10 26.11 2.93 1.08 2.29 0.82 0.00 65.41 1.35 83 Q E E 102.67 5.24 16.16 23.35 126.23 -173.16 -128.14 139.50 35.66 60.83 3.51 29.30 4.76 1.59 2.34 1.05 0.00 59.90 1.06 84 I E E 87.54 11.61 12.65 25.21 127.36 -168.81 -129.31 139.77 38.05 58.43 3.52 32.13 4.57 1.46 2.29 1.16 0.00 57.07 1.32 85 T E E 77.61 5.49 17.38 24.62 127.40 -173.74 -132.38 142.45 40.00 56.43 3.57 33.01 5.46 1.77 2.10 1.35 0.00 54.72 1.59 86 A E E 48.40 13.96 12.44 26.57 127.45 -168.48 -129.88 139.28 38.22 58.76 3.01 30.91 5.98 2.16 1.60 1.36 0.01 56.17 1.80 87 Y E E 138.06 4.57 18.56 24.30 122.17 -167.55 -117.79 133.35 35.12 63.11 1.77 27.78 5.74 1.88 1.02 0.83 0.00 59.15 3.58 88 Q E E 70.73 13.40 11.42 25.00 130.35 154.70 -135.38 152.83 46.90 52.31 0.79 36.27 9.33 1.16 0.52 0.40 0.00 46.90 5.43 89 D C C 75.42 5.24 15.83 22.07 110.46 -117.51 -90.60 118.15 75.16 24.42 0.43 65.75 7.56 0.83 0.22 0.26 0.00 21.63 3.76 90 T C T 90.29 7.18 11.34 20.10 93.23 -144.12 -67.33 -23.32 88.90 1.39 9.71 5.26 19.51 64.96 2.33 6.40 0.02 0.82 0.71 91 N C T 131.59 0.93 15.99 15.71 95.64 55.25 -79.82 -18.01 91.16 0.60 8.24 2.95 18.05 70.86 1.58 5.83 0.00 0.33 0.39 92 T C T 72.47 6.06 14.11 21.39 108.75 26.46 -114.57 2.24 84.80 5.75 9.45 11.70 20.83 53.07 2.21 6.58 0.03 3.78 1.79 93 D C C 59.31 12.99 12.35 25.42 117.19 112.55 -93.39 140.43 79.50 17.95 2.55 46.90 15.01 18.46 0.74 1.76 0.00 14.72 2.40 94 G C C 25.43 10.71 18.29 29.62 122.96 144.88 103.91 150.49 65.27 33.65 1.09 36.33 16.93 12.68 0.19 0.95 0.00 31.78 1.14 95 S E E 42.90 13.52 17.91 31.44 131.35 -145.89 -126.60 148.77 26.96 72.68 0.37 22.64 3.49 0.75 0.09 0.28 0.00 71.98 0.77 96 L E E 38.33 15.65 17.84 33.98 131.47 -173.78 -136.75 144.27 2.88 97.09 0.03 2.62 0.21 0.04 0.01 0.02 0.00 96.96 0.14 97 I E E 71.82 12.50 19.93 32.72 124.16 -162.25 -123.01 133.26 0.84 99.15 0.01 0.76 0.05 0.01 0.00 0.00 0.00 99.16 0.02 98 Q E E 42.14 14.72 19.31 34.49 126.02 -175.27 -126.64 137.73 0.50 99.50 0.00 0.46 0.02 0.00 0.00 0.00 0.00 99.51 0.01 99 C E E 51.59 12.31 19.44 32.17 123.73 -163.24 -119.46 133.87 0.84 99.16 0.00 0.81 0.01 0.00 0.00 0.00 0.00 99.16 0.01 100 Y E E 50.64 13.68 17.54 32.25 129.31 -174.53 -129.44 146.22 0.77 99.22 0.00 0.71 0.03 0.00 0.00 0.00 0.00 99.24 0.02 101 E E E 102.94 8.12 17.03 26.53 121.48 -160.41 -117.93 132.03 4.38 95.61 0.01 3.86 0.28 0.03 0.00 0.01 0.00 95.69 0.14 102 I C C 62.63 9.78 12.75 23.94 123.61 176.29 -129.10 136.70 71.91 28.06 0.03 68.43 1.57 0.09 0.01 0.02 0.00 29.55 0.33 103 N C S 129.57 1.23 16.28 17.03 100.78 -63.06 19.47 -69.58 99.62 0.25 0.13 2.71 71.36 25.60 0.01 0.10 0.00 0.18 0.04 104 D C S 93.58 5.93 14.78 21.67 99.39 1.16 -102.67 -2.39 99.34 0.52 0.14 2.22 69.69 27.47 0.01 0.11 0.00 0.45 0.04 105 I E E 34.17 15.61 13.76 30.16 128.72 67.55 -123.12 142.40 22.60 77.39 0.01 18.99 2.28 0.09 0.00 0.01 0.00 78.33 0.29 106 Y E E 66.31 11.03 21.10 33.12 123.85 -161.64 -118.31 135.55 0.77 99.23 0.00 0.73 0.02 0.00 0.00 0.00 0.00 99.23 0.02 107 A E E 6.25 21.61 18.70 40.68 126.61 -169.82 -123.90 139.65 0.15 99.85 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.87 0.00 108 I E E 38.10 11.85 25.85 38.45 118.40 -158.34 -111.93 126.12 0.09 99.91 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 109 V E E 6.24 23.67 20.11 43.96 123.51 -170.26 -119.17 133.67 0.15 99.85 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.86 0.00 110 S E E 19.11 12.78 26.14 39.74 120.87 -161.53 -111.90 132.36 0.23 99.77 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.00 111 V E E 7.50 23.61 20.71 44.42 123.72 -168.56 -120.55 133.20 0.31 99.69 0.00 0.27 0.00 0.00 0.00 0.00 0.00 99.72 0.00 112 F E E 41.35 13.45 26.03 39.81 123.96 -168.67 -120.03 135.49 0.45 99.55 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.59 0.01 113 A E E 8.32 21.67 20.09 41.65 129.90 -170.96 -126.74 145.37 0.88 99.11 0.00 0.80 0.03 0.00 0.00 0.00 0.00 99.14 0.02 114 M E E 47.32 11.93 23.28 35.73 125.54 -163.67 -124.76 137.96 3.21 96.77 0.02 2.98 0.16 0.02 0.01 0.01 0.00 96.65 0.17 115 A E E 27.84 15.74 16.86 32.78 121.71 -153.64 -107.12 137.40 18.27 81.63 0.09 17.33 0.64 0.12 0.03 0.05 0.00 81.06 0.76 116 V C C 63.52 10.38 19.35 30.03 112.06 -145.46 -92.48 120.90 99.56 0.43 0.00 99.61 0.06 0.01 0.00 0.00 0.00 0.30 0.01