# 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 94.98 8.39 12.62 22.10 114.66 -162.75 -93.46 130.25 99.89 0.07 0.03 99.84 0.07 0.03 0.01 0.00 0.00 0.03 0.01 1 S C C 60.00 5.32 13.10 19.80 112.50 -146.09 -87.27 133.67 85.29 3.24 11.47 84.04 0.90 2.87 4.60 4.51 0.00 1.65 1.43 2 L C G 81.52 9.86 11.43 22.13 95.56 -151.47 -69.78 -23.60 53.00 2.33 44.67 24.22 9.76 20.01 6.42 37.46 0.00 1.38 0.75 3 L C G 85.56 9.07 11.32 21.40 94.63 66.50 -73.90 -13.30 54.48 1.66 43.86 14.92 10.59 29.51 5.76 37.65 0.01 0.96 0.59 4 N C G 118.74 2.17 14.77 17.50 97.07 60.31 -88.46 0.92 60.66 1.47 37.88 25.33 14.56 20.36 3.56 34.83 0.00 0.76 0.59 5 K C S 81.20 8.15 9.99 19.94 119.80 103.46 -86.78 144.40 99.22 0.63 0.15 31.43 67.68 0.24 0.06 0.05 0.00 0.17 0.38 6 P C C 72.24 3.22 15.12 19.18 114.43 -103.14 -64.50 151.21 97.80 1.76 0.44 96.70 1.11 0.25 0.15 0.15 0.00 0.47 1.17 7 K H G 116.15 9.67 10.03 20.64 91.84 -111.34 -58.68 -35.01 14.90 0.21 84.89 3.73 1.78 7.28 1.64 85.40 0.00 0.14 0.02 8 S H G 90.92 1.58 13.90 15.49 91.38 61.70 -69.35 -17.08 14.23 0.14 85.62 1.33 1.50 9.82 1.21 86.04 0.00 0.09 0.02 9 E H G 131.16 2.21 14.18 16.90 95.06 57.01 -89.98 -3.15 14.70 0.20 85.10 2.77 2.30 7.73 1.17 85.89 0.00 0.12 0.03 10 M C C 41.35 15.37 6.60 21.17 117.55 104.12 -81.44 140.67 96.73 1.12 2.15 52.31 43.35 0.89 1.04 0.76 0.00 0.19 1.45 11 T C C 66.15 2.68 15.09 18.25 120.83 -129.17 -81.65 161.28 99.65 0.15 0.21 97.12 2.45 0.05 0.20 0.01 0.00 0.03 0.13 12 P H H 99.32 3.07 12.13 16.74 91.22 -107.42 -57.32 -38.00 3.26 0.01 96.73 0.79 0.43 1.88 95.78 1.11 0.00 0.00 0.00 13 E H H 129.58 1.20 14.37 14.90 92.13 52.75 -64.90 -39.79 1.89 0.01 98.11 0.38 0.17 1.16 97.08 1.19 0.00 0.00 0.00 14 E H H 84.22 4.40 13.49 19.47 92.05 49.80 -65.60 -39.82 0.96 0.02 99.02 0.32 0.11 0.48 97.88 1.20 0.00 0.01 0.00 15 L H H 51.32 8.30 11.88 22.13 91.92 51.38 -64.21 -40.90 1.01 0.01 98.97 0.35 0.11 0.48 98.51 0.54 0.00 0.01 0.00 16 Q H H 99.25 2.47 15.84 18.53 91.90 50.58 -64.57 -40.29 2.24 0.02 97.74 0.67 0.22 1.15 97.58 0.36 0.00 0.01 0.01 17 K H H 118.56 1.82 16.25 17.57 92.20 50.06 -65.52 -40.53 3.26 0.03 96.71 0.83 0.33 1.84 96.50 0.47 0.00 0.01 0.01 18 R H H 104.45 5.70 14.60 21.66 92.73 50.34 -66.08 -39.97 4.74 0.05 95.20 1.53 0.57 2.41 94.69 0.75 0.00 0.02 0.02 19 E H H 87.40 7.06 14.29 22.57 92.69 51.93 -65.21 -39.39 7.18 0.08 92.74 2.78 0.83 3.41 91.70 1.21 0.01 0.04 0.03 20 E H H 112.12 3.20 15.67 19.54 93.26 51.11 -66.61 -37.82 10.32 0.10 89.57 3.02 1.28 5.73 87.75 2.12 0.01 0.05 0.04 21 E H H 110.30 2.97 16.13 19.38 94.41 50.04 -69.74 -35.67 17.46 0.16 82.38 4.95 2.46 10.03 79.36 3.03 0.02 0.07 0.08 22 E H H 89.83 7.13 15.03 23.14 95.78 50.51 -73.34 -28.99 29.13 0.35 70.52 9.79 4.69 15.33 65.09 4.72 0.04 0.16 0.19 23 F H H 78.38 11.81 12.91 25.17 97.40 58.48 -78.78 -16.19 48.59 0.70 50.71 18.50 7.00 23.81 41.71 8.19 0.03 0.32 0.43 24 N C T 95.85 5.63 16.02 22.59 97.06 65.60 -83.58 -12.17 67.43 0.76 31.82 23.94 10.27 33.58 24.23 7.16 0.01 0.33 0.49 25 T C T 85.60 4.24 17.05 22.09 108.42 54.01 -104.56 9.15 77.17 0.86 21.97 21.93 27.56 28.17 16.06 5.24 0.02 0.29 0.72 26 G C S 24.04 8.68 17.78 27.27 130.45 41.41 119.31 -170.75 86.88 0.37 12.75 19.63 60.18 5.31 13.55 0.93 0.00 0.08 0.33 27 P H H 45.85 15.45 17.65 32.77 92.93 -66.28 -63.48 -34.02 27.85 0.09 72.06 3.30 4.05 20.40 69.65 2.47 0.04 0.03 0.07 28 L H H 46.71 16.60 18.38 34.34 92.16 54.70 -65.35 -35.92 14.81 0.08 85.10 2.43 1.62 10.61 82.91 2.32 0.03 0.03 0.05 29 S H H 43.26 6.77 21.71 29.33 91.90 55.63 -63.95 -40.01 4.10 0.06 95.84 1.94 0.59 1.66 93.97 1.80 0.00 0.03 0.02 30 V H H 37.35 13.00 21.56 34.80 92.03 50.76 -64.58 -42.36 1.46 0.05 98.49 0.59 0.18 0.67 97.81 0.71 0.00 0.03 0.01 31 L H H 11.95 22.81 19.38 41.72 92.10 49.99 -64.66 -42.75 1.11 0.05 98.84 0.39 0.13 0.55 98.30 0.59 0.00 0.03 0.01 32 T H H 45.85 11.09 22.31 33.59 91.70 50.63 -63.35 -42.28 1.61 0.10 98.28 0.60 0.21 0.80 97.76 0.54 0.01 0.07 0.02 33 Q H H 79.57 4.73 23.70 28.42 91.78 50.11 -64.15 -41.40 2.35 0.19 97.47 0.92 0.37 1.16 96.75 0.63 0.01 0.12 0.04 34 S H H 9.85 16.28 16.43 33.79 91.93 51.33 -64.41 -42.03 3.16 0.30 96.54 1.13 0.42 1.68 95.58 0.90 0.02 0.20 0.06 35 V H H 37.81 16.57 16.32 32.42 92.59 49.34 -65.29 -40.99 3.46 0.14 96.40 0.85 0.36 2.16 95.16 1.33 0.01 0.10 0.03 36 K H H 135.10 3.37 19.04 22.98 92.07 50.54 -67.04 -33.76 8.40 0.07 91.53 0.75 0.61 6.82 90.58 1.15 0.02 0.04 0.03 37 N C T 93.99 3.91 17.13 21.66 96.77 40.76 -94.34 2.50 59.88 0.14 39.98 1.68 3.10 53.42 40.39 1.24 0.03 0.05 0.09 38 N C T 103.76 6.98 16.62 25.03 94.76 -121.00 58.38 40.04 99.29 0.16 0.55 8.52 3.43 87.50 0.25 0.16 0.00 0.10 0.03 39 T C C 35.57 12.83 16.11 29.94 120.20 159.93 -91.84 147.05 94.13 5.75 0.12 87.57 5.45 0.50 0.02 0.08 0.00 6.20 0.18 40 Q E E 73.83 11.08 23.47 34.47 116.73 -120.27 -89.06 135.59 27.94 72.00 0.05 25.82 1.05 0.12 0.01 0.03 0.00 72.78 0.19 41 V E E 4.29 24.73 17.97 43.37 124.36 -166.38 -118.81 136.64 3.15 96.84 0.00 3.07 0.10 0.01 0.00 0.00 0.00 96.79 0.03 42 L E E 34.30 12.34 26.59 39.79 116.25 -146.89 -103.27 125.85 0.19 99.81 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.81 0.00 43 I E E 4.60 25.04 19.34 45.02 119.56 -165.39 -113.65 127.94 0.20 99.80 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.81 0.00 44 N E E 48.28 9.85 24.71 35.22 112.75 -155.92 -102.56 118.62 2.81 97.18 0.01 2.53 0.10 0.01 0.00 0.00 0.00 97.32 0.04 45 C E E 13.85 20.17 13.57 33.40 122.71 -169.79 -97.78 165.51 38.08 61.64 0.27 34.44 2.14 0.38 0.04 0.21 0.00 62.31 0.48 46 R C T 118.75 8.13 17.02 25.50 105.90 -87.30 -66.64 133.05 67.02 16.71 16.27 4.65 14.89 49.45 0.43 15.72 0.01 13.68 1.16 47 N C T 109.78 3.68 16.46 20.93 95.62 18.93 42.35 20.89 84.80 0.42 14.77 1.73 11.74 69.16 0.24 16.71 0.00 0.25 0.16 48 N C T 107.84 5.48 15.87 22.54 94.26 -84.93 67.86 18.97 84.30 1.45 14.25 8.35 27.54 47.24 0.34 15.23 0.00 0.92 0.37 49 K E E 72.28 10.87 16.26 28.18 119.44 139.40 -89.62 142.37 45.03 54.81 0.16 40.27 2.24 0.66 0.02 0.12 0.00 56.19 0.50 50 K E E 72.86 14.19 20.97 34.84 127.40 -158.39 -122.25 140.05 3.01 96.98 0.00 2.57 0.19 0.01 0.00 0.00 0.00 97.18 0.04 51 L E E 6.60 23.45 20.50 44.07 123.17 -163.79 -117.37 135.33 0.18 99.82 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.84 0.00 52 L E E 31.41 15.24 26.54 41.63 120.14 -153.71 -108.54 134.15 0.20 99.80 0.00 0.17 0.01 0.00 0.00 0.00 0.00 99.82 0.00 53 G E E 3.51 19.37 23.79 43.23 145.50 109.21 166.11 -174.80 1.46 98.54 0.00 1.16 0.14 0.01 0.00 0.00 0.00 98.68 0.01 54 R E E 71.88 11.43 26.94 39.37 123.57 -76.03 -115.13 139.95 2.74 97.26 0.00 2.42 0.15 0.01 0.00 0.00 0.00 97.36 0.05 55 V E E 4.37 25.56 16.26 43.00 110.41 -115.49 -76.52 127.18 4.91 95.06 0.03 4.69 0.16 0.01 0.01 0.01 0.00 95.02 0.09 56 K E E 87.34 8.14 24.53 33.38 99.60 177.75 -94.28 -30.33 7.64 92.32 0.04 4.16 2.93 0.19 0.00 0.03 0.00 92.65 0.04 57 A E E 30.54 9.01 25.50 35.63 143.17 -5.62 -159.81 156.91 1.90 98.08 0.02 1.34 0.34 0.06 0.00 0.02 0.00 98.22 0.02 58 F E E 39.42 22.86 13.59 35.46 133.49 -169.96 -141.73 146.30 1.98 98.01 0.01 1.83 0.14 0.01 0.01 0.01 0.00 96.21 1.81 59 D C C 51.45 7.69 20.84 28.94 129.40 -155.45 -109.49 175.01 83.05 16.91 0.04 82.66 0.69 0.10 0.00 0.02 0.00 15.95 0.57 60 R C T 149.68 6.79 17.57 25.52 91.57 -88.67 -65.04 -21.77 99.20 0.10 0.70 0.24 4.68 94.23 0.01 0.75 0.00 0.06 0.02 61 H C T 101.42 6.90 19.45 27.10 95.46 51.27 -92.92 1.37 99.29 0.05 0.66 0.30 4.91 94.01 0.01 0.72 0.00 0.02 0.02 62 C C S 17.48 19.72 16.97 36.40 95.79 -106.92 70.97 24.25 97.72 1.34 0.94 31.09 46.16 20.30 0.07 1.06 0.00 0.80 0.52 63 N C C 34.75 11.80 23.69 36.44 115.18 148.44 -80.45 138.66 91.03 8.92 0.05 85.67 3.00 1.85 0.01 0.04 0.00 9.03 0.41 64 M E E 7.53 24.65 19.25 44.02 121.16 -153.66 -111.27 133.34 1.31 98.69 0.00 1.29 0.03 0.00 0.00 0.00 0.00 98.52 0.17 65 V E E 23.77 13.51 26.85 41.05 122.76 -168.14 -121.21 130.64 0.07 99.93 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.92 0.01 66 L E E 7.64 24.28 18.41 43.07 114.51 -148.89 -96.09 125.73 0.41 99.59 0.00 0.43 0.01 0.00 0.00 0.00 0.00 99.54 0.01 67 E E E 64.48 9.67 23.17 33.14 128.01 -173.38 -117.23 154.36 5.09 94.74 0.16 2.85 1.40 0.53 0.01 0.18 0.00 95.01 0.03 68 N E E 89.87 4.75 24.02 29.30 94.67 8.83 60.28 47.56 6.83 93.09 0.08 3.73 1.99 0.33 0.00 0.09 0.00 93.84 0.02 69 V E E 12.27 23.79 12.60 36.18 116.58 -177.80 -85.76 134.24 4.45 95.55 0.00 4.34 0.07 0.00 0.00 0.00 0.00 95.56 0.02 70 K E E 86.87 7.76 24.83 32.94 122.97 -166.54 -117.07 136.57 1.25 98.75 0.00 1.06 0.06 0.00 0.00 0.00 0.00 98.87 0.02 71 E E E 47.71 17.27 17.85 34.68 121.71 -154.98 -110.10 134.41 0.85 99.15 0.00 0.71 0.03 0.00 0.00 0.00 0.00 99.24 0.01 72 M E E 48.15 11.48 19.65 32.31 121.99 -167.62 -116.92 133.97 2.27 97.71 0.02 1.97 0.13 0.02 0.00 0.00 0.00 97.84 0.04 73 W E E 63.67 14.01 16.33 31.12 126.53 -167.49 -119.38 143.64 6.56 93.36 0.09 5.68 0.56 0.10 0.03 0.04 0.00 93.38 0.21 74 T E E 48.44 10.67 16.63 28.50 122.80 -155.24 -115.19 142.49 16.77 82.98 0.25 13.56 2.72 0.47 0.07 0.14 0.00 82.56 0.48 75 E E E 98.79 7.23 16.42 24.75 117.64 -134.87 -99.21 134.86 26.94 72.70 0.36 21.85 4.95 0.63 0.11 0.21 0.00 70.83 1.42 76 V C C 62.91 10.12 12.07 23.54 116.56 -140.11 -96.96 129.94 54.94 44.76 0.30 48.46 5.07 0.37 0.11 0.15 0.00 44.87 0.97 77 P C C 60.68 7.10 11.24 20.35 113.49 -111.43 -66.11 148.40 67.82 30.06 2.12 58.98 5.20 2.30 0.68 1.35 0.00 29.88 1.60 78 K C C 152.65 2.43 11.11 14.96 103.22 -122.37 -78.96 -0.82 72.90 20.88 6.22 43.68 18.21 12.25 1.55 4.82 0.03 15.60 3.85 79 S C C 80.77 2.56 9.50 13.43 115.72 18.68 -105.24 146.50 79.29 13.32 7.39 30.37 24.68 25.84 1.17 6.09 0.02 8.82 3.00 80 G C T 56.88 2.15 8.88 12.48 111.05 -18.95 39.09 -26.85 86.92 4.66 8.42 24.72 29.95 32.77 1.19 7.17 0.01 2.74 1.46 81 K C T 167.21 1.03 9.40 10.96 106.03 -1.40 -89.78 60.08 88.21 2.79 9.00 19.52 29.78 39.22 1.39 7.41 0.00 1.55 1.12 82 G C S 53.80 2.28 9.90 13.52 109.83 10.22 89.48 -123.83 85.37 6.83 7.80 22.90 35.29 27.98 1.36 6.21 0.01 4.52 1.73 83 K C C 139.65 3.01 10.03 14.72 113.37 68.36 -90.63 135.44 74.78 18.30 6.92 47.98 18.28 8.94 1.98 5.20 0.02 13.91 3.69 84 K C C 129.61 4.76 9.94 16.67 115.39 -137.61 -90.50 135.98 64.74 29.31 5.95 48.56 10.34 5.16 2.35 3.99 0.02 23.36 6.23 85 K C C 123.29 4.85 12.00 18.65 117.23 -141.41 -92.41 137.49 68.49 27.68 3.84 53.42 10.05 4.79 1.28 2.66 0.01 23.91 3.88 86 S C C 56.99 9.97 10.07 20.81 117.47 -129.50 -86.74 143.66 76.19 22.14 1.67 57.36 14.71 3.52 0.37 1.34 0.00 20.93 1.76 87 K C C 127.21 3.59 15.17 20.24 120.38 -146.83 -107.46 137.80 71.08 28.69 0.22 54.33 15.80 0.64 0.05 0.17 0.00 27.71 1.30 88 P C C 79.24 7.51 13.01 22.00 114.24 -106.37 -64.89 145.01 58.60 41.01 0.39 55.19 2.26 0.48 0.16 0.25 0.00 37.07 4.58 89 V C C 59.07 10.74 10.95 22.75 115.48 -145.78 -97.43 136.09 62.51 36.77 0.72 51.19 8.93 1.89 0.18 0.62 0.00 34.47 2.72 90 N C E 115.37 3.63 14.43 19.55 105.84 -128.31 -86.99 93.51 53.86 45.53 0.61 39.48 12.30 2.35 0.10 0.56 0.00 43.99 1.21 91 K E E 101.78 7.40 13.32 22.11 122.71 150.16 -116.49 140.24 43.06 56.38 0.56 35.04 6.98 1.27 0.12 0.49 0.00 54.47 1.64 92 D E E 88.00 8.02 14.30 23.57 116.87 -156.29 -103.82 126.74 31.31 68.43 0.26 26.50 4.19 0.59 0.06 0.21 0.00 66.97 1.48 93 R E E 84.55 12.06 15.78 28.39 128.02 -174.90 -128.80 143.32 23.13 76.74 0.13 20.33 2.39 0.29 0.03 0.10 0.00 75.85 1.02 94 Y E E 109.97 9.21 20.04 29.74 117.94 -133.97 -97.87 132.17 20.57 79.36 0.08 19.00 1.41 0.13 0.03 0.06 0.00 74.99 4.38 95 I E E 16.93 21.17 14.21 35.29 118.24 -161.63 -111.14 126.43 31.68 68.24 0.09 31.38 0.56 0.05 0.02 0.05 0.00 67.18 0.76 96 S E E 49.66 7.53 22.45 30.66 97.66 -167.76 -82.55 -32.22 45.00 54.92 0.08 22.76 20.45 0.73 0.00 0.08 0.00 55.81 0.17 97 K E E 70.23 10.55 23.34 34.31 135.15 12.55 -143.53 143.59 8.39 91.51 0.10 5.86 1.83 0.25 0.01 0.07 0.00 91.90 0.08 98 M E E 16.41 23.18 18.53 41.34 128.91 -171.76 -131.06 138.83 0.97 99.02 0.01 0.85 0.07 0.01 0.00 0.00 0.00 99.04 0.01 99 F E E 38.73 13.64 25.93 40.04 120.16 -158.18 -116.06 129.51 0.21 99.79 0.00 0.18 0.01 0.00 0.00 0.00 0.00 99.80 0.00 100 L E E 17.44 22.40 18.94 41.22 119.79 -162.10 -112.26 129.52 2.34 97.66 0.01 1.92 0.14 0.02 0.00 0.00 0.00 97.87 0.05 101 R E E 90.27 10.20 23.04 33.18 116.56 -172.07 -125.16 113.77 27.40 72.47 0.12 22.79 3.41 0.58 0.02 0.11 0.00 72.58 0.51 102 G C T 28.29 9.89 21.52 31.75 112.47 -46.12 62.21 -135.59 95.95 2.34 1.71 2.34 30.33 63.42 0.04 1.78 0.00 1.84 0.25 103 D C T 76.00 11.65 19.68 31.63 97.47 -20.58 -92.32 5.39 96.71 1.54 1.75 2.75 30.40 63.52 0.07 1.82 0.00 1.25 0.19 104 S E E 28.42 14.10 22.04 36.55 122.94 93.92 -103.54 138.58 25.80 73.29 0.90 15.70 8.01 3.48 0.16 0.73 0.00 71.26 0.65 105 V E E 13.60 22.82 19.05 41.61 118.06 -161.76 -109.14 125.30 3.21 96.76 0.02 2.98 0.17 0.02 0.01 0.01 0.00 96.67 0.14 106 I E E 40.52 14.81 24.79 39.21 105.72 -164.73 -103.16 -13.18 1.67 98.31 0.03 1.44 0.09 0.02 0.01 0.01 0.00 98.41 0.02 107 V E E 34.92 15.67 24.27 39.48 126.82 7.93 -132.55 130.81 0.95 99.03 0.02 0.88 0.04 0.01 0.00 0.01 0.00 99.04 0.02 108 V E E 19.28 20.78 20.41 40.94 118.99 -165.36 -114.84 124.79 2.73 97.24 0.04 2.60 0.13 0.02 0.02 0.01 0.00 97.15 0.07 109 L E E 37.36 14.71 20.57 35.60 119.04 -162.50 -102.88 134.85 16.91 82.96 0.13 15.31 1.19 0.19 0.05 0.07 0.00 82.76 0.43 110 R C C 107.70 11.57 19.47 30.81 104.77 -148.69 -81.66 -3.05 70.52 28.72 0.77 41.60 27.16 1.96 0.23 0.49 0.00 27.70 0.86 111 N C C 62.37 9.95 17.19 27.94 109.41 17.85 -111.75 96.23 90.96 4.03 5.02 63.66 23.85 3.96 2.44 2.42 0.00 2.78 0.89 112 P C C 57.31 11.98 14.79 27.66 95.61 -169.61 -65.44 -22.79 64.57 1.81 33.62 34.14 9.38 20.88 11.38 22.46 0.01 1.10 0.66 113 L C C 87.04 7.56 16.74 25.16 94.41 64.89 -73.56 -17.17 58.50 4.07 37.43 28.26 10.43 20.38 13.71 23.28 0.06 2.33 1.55 114 I C C 66.97 11.30 13.37 25.19 98.36 60.63 -86.05 -10.28 58.18 6.32 35.50 35.11 11.10 12.40 13.93 21.42 0.05 3.63 2.35 115 A C C 55.40 9.87 10.80 21.37 106.62 83.68 -81.46 89.44 73.08 5.08 21.84 34.61 13.93 25.51 11.31 9.67 0.04 2.96 1.97 116 G C C 55.08 2.99 12.96 17.18 106.19 19.78 68.92 -0.33 90.96 1.73 7.32 59.22 4.93 27.68 3.02 3.43 0.00 1.08 0.66 117 K C C 144.47 3.31 13.03 17.87 107.56 65.96 -87.62 99.60 99.91 0.06 0.03 99.76 0.12 0.06 0.01 0.00 0.00 0.03 0.01