# 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 127.96 3.67 10.89 16.36 116.30 -158.82 -99.64 134.17 99.85 0.11 0.05 99.74 0.11 0.07 0.02 0.00 0.00 0.05 0.02 1 A C C 76.38 4.11 8.21 14.29 114.75 -145.17 -92.59 135.57 88.21 2.35 9.43 83.65 1.15 5.43 4.13 3.30 0.00 1.50 0.84 2 E C C 146.47 1.86 9.54 12.87 111.77 -146.12 -91.65 126.94 81.72 6.01 12.27 57.46 13.50 11.10 5.45 6.52 0.00 4.10 1.87 3 M C C 119.98 4.81 7.83 14.55 116.56 -151.56 -97.45 131.17 79.27 8.50 12.24 59.80 11.46 8.06 5.97 6.13 0.01 6.00 2.57 4 Q C C 111.43 4.27 9.92 16.16 118.32 -162.27 -102.60 140.35 81.05 8.31 10.65 60.04 14.34 6.58 6.23 4.56 0.01 5.46 2.77 5 D C C 97.50 3.57 11.19 16.38 109.84 -118.44 -82.99 118.35 87.38 4.21 8.41 73.12 9.55 4.79 5.36 3.05 0.00 2.71 1.42 6 Y C C 122.26 7.83 9.14 18.20 100.24 -166.69 -77.66 -13.25 69.04 2.33 28.63 42.23 10.70 16.31 14.54 13.86 0.01 1.28 1.08 7 K C C 134.82 3.94 11.66 17.06 99.23 75.84 -75.55 -16.26 63.59 1.89 34.52 31.18 12.13 20.81 15.41 18.54 0.02 0.97 0.94 8 Q C C 124.81 3.06 11.95 16.22 99.64 66.51 -82.65 -8.32 62.24 2.42 35.34 31.48 14.10 17.36 14.77 19.90 0.03 1.23 1.13 9 S C C 63.98 6.17 11.76 19.36 106.19 68.98 -92.53 48.52 69.91 4.70 25.38 44.81 13.08 12.19 12.62 12.78 0.01 2.81 1.71 10 L C C 82.82 9.93 10.97 21.74 113.37 137.60 -89.24 123.94 81.64 7.40 10.97 66.43 9.79 5.33 6.99 4.12 0.00 5.31 2.02 11 K C C 125.15 5.32 14.98 21.97 118.66 -166.00 -109.44 136.68 80.87 12.88 6.25 69.30 6.86 4.20 4.12 2.30 0.00 9.69 3.50 12 Y C C 113.43 10.56 12.95 24.13 119.39 -156.99 -108.72 135.58 79.01 16.29 4.70 64.41 9.95 3.91 3.17 1.85 0.00 11.93 4.79 13 E C C 98.52 8.50 15.65 25.00 119.95 -155.44 -101.35 144.89 82.71 11.83 5.46 56.82 19.58 6.36 2.93 2.61 0.00 9.23 2.46 14 T C C 55.34 9.44 17.35 27.59 121.95 -108.51 -107.57 147.34 81.78 9.42 8.80 59.20 15.78 6.47 3.37 5.70 0.01 5.83 3.64 15 F H G 52.01 18.88 12.52 30.37 95.87 -132.46 -73.78 -10.55 38.72 3.01 58.27 18.16 7.27 12.64 2.32 57.14 0.00 2.01 0.47 16 S H G 66.90 6.63 16.99 24.88 92.76 82.42 -68.15 -17.80 36.99 1.57 61.44 6.01 6.45 23.13 1.70 61.38 0.00 1.04 0.28 17 Y H G 140.07 5.04 17.42 23.48 96.52 53.95 -94.71 1.93 38.16 1.74 60.10 8.80 7.90 20.61 1.52 59.75 0.00 1.07 0.35 18 L C S 32.00 19.60 9.52 28.28 118.51 106.44 -81.58 142.27 97.66 2.00 0.33 36.17 61.21 0.49 0.11 0.15 0.00 0.64 1.23 19 P C C 66.97 5.70 18.16 24.82 116.47 -103.91 -65.62 152.24 99.00 0.58 0.42 80.54 14.30 4.15 0.08 0.37 0.00 0.31 0.25 20 P C C 100.82 4.45 17.11 23.36 111.77 -94.88 -65.33 140.11 98.26 1.12 0.62 77.91 14.58 5.69 0.15 0.53 0.00 0.54 0.61 21 M C C 36.90 18.89 9.71 27.59 123.75 -150.27 -106.48 143.72 91.18 8.37 0.45 81.89 7.19 0.36 0.27 0.15 0.00 1.65 8.49 22 N C C 79.65 2.61 21.52 22.78 122.28 -128.75 -85.84 163.55 98.78 0.85 0.37 97.31 1.54 0.15 0.26 0.05 0.00 0.28 0.42 23 A H H 54.02 12.44 12.43 25.24 91.26 -106.08 -58.81 -38.19 1.70 0.00 98.30 0.22 0.23 1.08 98.07 0.40 0.00 0.00 0.00 24 E H H 138.10 1.32 18.14 18.53 91.71 52.76 -64.21 -39.68 0.86 0.00 99.14 0.10 0.07 0.59 98.86 0.39 0.00 0.00 0.00 25 R H H 113.01 5.12 18.25 24.14 91.98 48.33 -66.05 -39.82 0.45 0.00 99.55 0.08 0.04 0.27 99.18 0.44 0.00 0.00 0.00 26 I H H 9.38 22.04 14.01 36.09 91.61 50.83 -63.23 -43.63 0.18 0.00 99.82 0.03 0.01 0.09 99.79 0.07 0.00 0.00 0.00 27 R H H 84.70 12.60 19.91 32.33 91.31 50.74 -62.20 -42.10 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 28 A H H 55.49 2.45 24.06 25.10 91.22 50.37 -63.53 -42.32 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 29 Q H H 42.42 13.56 21.38 35.00 92.17 49.80 -65.22 -41.87 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 30 I H H 4.02 25.66 17.73 43.61 91.19 50.04 -63.37 -42.82 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 31 K H H 102.54 7.04 23.24 30.77 91.16 51.97 -62.28 -41.64 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 32 Y H H 101.63 3.97 23.51 27.28 91.66 50.21 -63.74 -42.44 0.09 0.00 99.91 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 33 A H H 5.64 19.45 16.51 36.73 91.60 50.09 -63.87 -43.06 0.15 0.00 99.85 0.01 0.01 0.11 99.80 0.07 0.00 0.00 0.00 34 I H H 38.20 17.53 16.22 33.29 91.88 49.58 -63.99 -41.07 0.37 0.00 99.63 0.01 0.01 0.33 99.37 0.28 0.00 0.00 0.00 35 A H H 82.90 2.29 19.19 21.74 90.06 55.77 -65.05 -26.90 5.17 0.00 94.83 0.05 0.09 5.45 94.02 0.38 0.00 0.00 0.00 36 Q C T 102.88 5.45 16.96 23.50 93.18 53.55 -88.38 0.75 84.98 0.01 15.00 0.17 0.62 84.19 14.59 0.41 0.00 0.00 0.01 37 G C T 42.15 5.02 20.30 25.96 99.40 -101.54 89.76 9.83 99.89 0.01 0.10 0.79 0.72 98.43 0.03 0.02 0.00 0.01 0.00 38 W C C 41.85 19.42 13.90 32.94 119.10 143.84 -82.82 146.59 88.54 11.44 0.02 88.23 0.61 0.04 0.00 0.01 0.00 10.78 0.34 39 S E E 43.19 11.02 26.11 37.21 113.10 -142.40 -107.71 114.23 36.64 63.35 0.01 36.11 0.57 0.04 0.00 0.01 0.00 62.36 0.91 40 P E E 11.70 24.16 19.47 43.57 116.69 -138.41 -73.61 145.09 17.82 82.15 0.03 16.91 0.70 0.05 0.01 0.02 0.00 81.57 0.74 41 G E E 8.26 17.52 25.79 42.80 133.94 -157.70 -129.72 156.50 8.04 91.89 0.06 6.74 1.13 0.13 0.02 0.04 0.00 91.65 0.30 42 I E E 21.71 21.90 21.79 43.17 123.95 -146.98 -120.42 133.23 3.93 96.01 0.06 3.44 0.32 0.05 0.03 0.03 0.00 95.86 0.27 43 E E E 41.03 15.69 23.37 38.86 124.49 -166.93 -117.37 135.50 4.41 95.48 0.11 3.78 0.43 0.10 0.05 0.05 0.00 95.36 0.24 44 H E E 47.62 16.91 19.54 36.10 124.89 -165.00 -117.34 139.01 12.82 86.90 0.28 11.48 1.21 0.23 0.13 0.14 0.00 86.00 0.82 45 V E E 33.73 13.49 17.50 32.03 125.64 -166.56 -121.64 140.84 44.38 55.09 0.53 39.69 3.66 0.49 0.25 0.29 0.00 53.86 1.77 46 E C C 87.28 7.91 17.16 26.03 113.13 -122.78 -82.69 135.41 84.58 13.66 1.76 71.36 10.89 1.83 0.75 0.93 0.00 12.82 1.41 47 V C C 75.29 9.00 12.80 22.74 104.03 -120.94 -72.37 95.13 70.60 3.75 25.65 41.18 13.50 16.77 8.86 16.11 0.01 2.37 1.20 48 K C C 140.87 2.92 13.45 17.35 100.64 70.22 -77.60 -14.25 70.38 2.56 27.06 33.94 15.45 21.92 9.13 16.95 0.02 1.27 1.31 49 N C C 87.96 5.61 11.96 18.98 103.34 56.35 -86.91 22.07 69.25 2.95 27.81 34.49 16.91 18.81 9.41 17.30 0.02 1.35 1.71 50 S C C 56.59 8.62 10.47 20.11 99.90 85.51 -76.31 -16.84 73.04 2.25 24.71 39.52 14.16 19.74 10.76 13.44 0.01 1.06 1.30 51 M C C 114.92 5.12 13.25 19.49 98.69 72.76 -79.46 -12.98 73.77 1.83 24.40 28.71 18.93 27.00 11.22 12.17 0.02 0.82 1.14 52 N C C 96.95 5.22 14.09 20.43 100.67 58.34 -82.68 5.26 72.86 2.12 25.02 28.68 22.21 22.97 12.66 11.27 0.03 0.99 1.18 53 Q C C 82.21 8.99 13.68 23.70 107.71 97.62 -93.72 58.46 64.75 7.49 27.75 38.65 15.26 11.28 17.03 10.62 0.10 4.44 2.62 54 Y C C 95.20 11.07 14.49 26.07 102.63 97.63 -83.60 -9.31 46.75 14.92 38.33 28.64 8.73 9.97 22.92 15.52 0.21 10.96 3.06 55 W H H 100.46 11.16 15.40 27.08 99.57 62.73 -80.70 -18.02 35.05 19.23 45.72 18.27 7.22 11.26 25.92 18.94 0.36 15.45 2.58 56 Y H H 95.99 9.92 17.18 27.70 98.85 56.46 -79.93 -21.49 28.90 21.69 49.40 15.56 6.09 9.36 26.51 21.81 0.31 17.97 2.39 57 M H G 63.12 14.12 16.29 30.28 96.98 63.09 -76.61 -25.02 31.51 17.22 51.27 14.03 7.61 12.45 22.96 26.65 0.47 13.53 2.30 58 W C G 80.54 14.70 16.11 30.68 98.19 58.98 -84.24 -8.06 42.43 16.64 40.94 15.06 10.50 19.51 15.58 23.40 0.57 12.48 2.91 59 K C C 117.07 6.93 20.56 28.27 100.47 68.67 -86.72 12.75 62.25 14.99 22.75 31.38 15.09 17.65 8.38 13.41 0.15 10.69 3.24 60 L C C 32.37 19.91 12.96 32.23 116.73 118.51 -88.16 136.06 90.49 8.48 1.03 61.84 27.61 1.64 0.50 0.56 0.00 5.71 2.15 61 P C C 64.70 7.58 20.88 29.12 113.69 -111.18 -68.49 150.09 88.00 8.30 3.70 67.34 12.00 8.18 0.69 3.50 0.00 6.75 1.56 62 F C C 95.80 14.08 16.11 29.80 111.95 -105.96 -76.21 132.22 77.48 16.82 5.70 49.25 16.43 11.33 1.10 5.30 0.01 11.89 4.70 63 F C C 83.38 13.42 15.47 28.91 106.90 -161.77 -89.98 89.90 68.47 27.77 3.76 41.85 14.31 12.34 0.95 3.33 0.02 19.09 8.09 64 G C C 50.70 4.42 19.66 24.51 98.10 -96.73 83.75 4.94 82.49 16.26 1.25 50.43 20.74 11.92 0.20 1.37 0.00 13.17 2.18 65 E C C 53.30 14.17 11.71 26.32 116.21 131.20 -88.78 135.65 85.96 13.44 0.60 79.19 5.11 1.45 0.21 0.42 0.00 9.62 4.01 66 Q C S 127.97 4.39 17.81 23.55 99.96 -173.83 -105.12 -6.67 98.63 1.17 0.21 29.25 68.52 1.17 0.07 0.10 0.00 0.60 0.29 67 N C S 83.28 3.99 21.16 25.35 117.59 82.75 -97.69 131.67 97.07 2.26 0.66 34.92 61.93 0.47 0.54 0.11 0.00 0.50 1.54 68 V H H 39.20 19.25 12.29 30.99 91.89 -137.78 -60.18 -37.60 2.59 0.01 97.40 0.50 0.39 1.51 96.94 0.64 0.00 0.00 0.00 69 D H H 102.01 2.55 20.55 23.48 91.49 56.21 -63.05 -39.74 1.50 0.01 98.49 0.29 0.13 0.93 98.01 0.63 0.00 0.00 0.00 70 N H H 71.12 4.82 21.10 26.23 91.80 48.82 -65.71 -40.24 0.41 0.00 99.58 0.10 0.03 0.21 99.19 0.46 0.00 0.00 0.00 71 V H H 4.12 23.49 15.73 39.66 91.37 50.34 -63.06 -44.26 0.15 0.00 99.85 0.03 0.01 0.07 99.83 0.06 0.00 0.00 0.00 72 L H H 32.64 16.83 20.96 37.28 91.25 50.12 -62.88 -42.27 0.06 0.00 99.94 0.00 0.00 0.03 99.94 0.02 0.00 0.00 0.00 73 A H H 57.46 2.47 25.94 26.96 91.23 50.59 -63.09 -42.42 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 74 E H H 48.04 12.70 22.54 35.33 91.95 49.69 -65.09 -41.89 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 75 I H H 1.83 27.05 17.46 45.22 90.96 50.05 -63.47 -43.04 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 76 E H H 91.58 8.08 24.42 32.78 91.28 51.14 -62.71 -41.61 0.08 0.00 99.92 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 77 A H H 50.80 3.05 24.73 27.01 91.40 50.56 -63.83 -42.04 0.14 0.00 99.86 0.01 0.00 0.10 99.88 0.02 0.00 0.00 0.00 78 C H H 7.63 19.20 17.21 37.08 91.82 49.88 -64.23 -42.82 0.20 0.00 99.80 0.01 0.00 0.14 99.79 0.05 0.00 0.00 0.00 79 R H H 61.17 17.57 16.36 33.17 91.57 52.02 -64.17 -38.00 0.57 0.00 99.43 0.03 0.02 0.45 99.36 0.14 0.00 0.00 0.00 80 S H H 87.54 1.28 20.74 20.66 92.04 51.91 -66.70 -34.90 3.91 0.00 96.09 0.06 0.11 3.80 95.77 0.25 0.00 0.00 0.00 81 A H H 63.68 5.06 17.65 23.44 94.19 45.69 -75.96 -29.77 7.58 0.01 92.41 0.12 0.51 7.09 92.07 0.19 0.01 0.00 0.00 82 Y C C 52.06 14.77 11.93 27.12 111.67 25.29 -132.66 72.15 99.63 0.16 0.21 68.14 30.98 0.47 0.16 0.03 0.00 0.04 0.17 83 P C T 82.09 6.91 15.35 24.23 92.82 165.40 -65.33 -22.62 99.75 0.08 0.17 3.08 3.15 93.56 0.02 0.13 0.00 0.04 0.03 84 T C T 95.00 3.49 20.02 24.01 94.40 52.96 -91.89 2.32 99.81 0.08 0.10 1.03 6.15 92.64 0.01 0.11 0.00 0.06 0.01 85 H C S 33.73 17.41 16.14 33.72 126.58 92.65 -99.67 152.95 94.70 5.26 0.05 42.14 52.32 0.48 0.00 0.05 0.00 4.81 0.21 86 Q E E 34.48 14.63 25.02 39.69 121.49 -133.73 -98.85 146.50 8.39 91.60 0.01 7.74 0.38 0.02 0.00 0.01 0.00 91.58 0.27 87 V E E 2.43 26.48 20.95 48.16 122.34 -152.52 -115.55 133.78 0.60 99.40 0.00 0.55 0.01 0.00 0.00 0.00 0.00 99.42 0.02 88 K E E 36.33 16.08 28.18 43.95 124.09 -167.99 -119.55 136.03 0.29 99.71 0.00 0.25 0.00 0.00 0.00 0.00 0.00 99.74 0.00 89 L E E 3.83 25.76 22.05 48.11 120.67 -157.18 -111.15 130.37 0.18 99.82 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.84 0.00 90 V E E 22.00 16.04 26.73 42.70 122.07 -168.15 -118.14 132.15 0.20 99.80 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.82 0.00 91 A E E 7.06 22.22 21.24 43.03 133.72 -173.06 -132.94 149.85 0.15 99.85 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.87 0.00 92 Y E E 60.24 12.46 22.00 35.14 121.43 -146.68 -115.18 131.41 0.29 99.70 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.67 0.03 93 D E E 26.17 13.06 15.23 30.21 108.91 -147.86 -97.17 110.13 14.04 85.95 0.01 13.56 0.29 0.02 0.00 0.00 0.00 85.89 0.23 94 N C T 94.30 6.17 14.80 22.88 93.52 -163.44 -69.42 -27.00 98.70 0.15 1.15 0.35 2.99 95.35 0.03 1.15 0.00 0.10 0.03 95 Y C T 180.08 1.12 14.82 15.41 96.29 48.25 -75.24 -39.58 98.68 0.07 1.25 0.30 2.91 95.46 0.03 1.24 0.00 0.03 0.03 96 A C T 61.51 3.97 13.28 18.50 98.39 26.58 -99.96 -12.01 98.87 0.05 1.08 0.75 2.88 95.15 0.04 1.13 0.00 0.03 0.02 97 Q C T 119.45 5.35 14.44 21.82 93.87 -128.11 56.92 39.61 99.24 0.38 0.38 21.38 4.18 73.80 0.10 0.21 0.00 0.29 0.05 98 S E E 37.62 8.11 18.48 28.04 138.42 118.91 -140.01 165.09 24.57 75.35 0.08 20.57 3.15 0.40 0.01 0.08 0.00 74.63 1.15 99 L E E 60.32 14.96 18.19 32.88 113.26 -104.64 -78.26 135.00 1.28 98.72 0.00 1.22 0.07 0.00 0.00 0.00 0.00 98.57 0.14 100 G E E 15.08 16.34 19.53 35.53 103.90 -161.26 -93.84 -43.76 2.76 97.24 0.00 1.97 0.55 0.02 0.00 0.00 0.00 97.43 0.02 101 L E E 44.26 13.73 23.66 37.32 137.01 -15.19 -146.05 149.33 1.18 98.82 0.00 1.01 0.07 0.00 0.00 0.00 0.00 98.90 0.01 102 A E E 18.20 21.58 19.11 39.72 132.13 -172.40 -136.38 144.42 0.99 99.01 0.00 0.85 0.04 0.00 0.00 0.00 0.00 99.10 0.01 103 F E E 45.30 15.38 24.73 39.72 125.31 -164.57 -124.49 136.96 0.40 99.60 0.00 0.35 0.01 0.00 0.00 0.00 0.00 99.63 0.00 104 V E E 22.76 18.78 21.99 40.42 117.47 -150.17 -104.42 126.42 0.32 99.68 0.00 0.30 0.00 0.00 0.00 0.00 0.00 99.69 0.00 105 V E E 20.84 18.13 21.69 39.51 119.51 -167.89 -113.31 129.25 0.86 99.14 0.00 0.74 0.03 0.00 0.00 0.00 0.00 99.21 0.02 106 Y E E 73.80 12.57 21.83 34.45 124.05 -158.64 -117.01 136.59 4.57 95.42 0.01 4.00 0.30 0.03 0.00 0.01 0.00 95.44 0.23 107 R E E 85.26 14.43 16.47 30.60 113.48 -154.66 -99.24 122.28 47.69 52.19 0.12 43.82 2.19 0.32 0.03 0.09 0.00 52.13 1.43 108 G C C 27.93 10.30 14.34 25.29 121.20 -109.29 82.92 171.68 93.98 5.94 0.08 92.18 1.25 0.67 0.02 0.05 0.00 5.37 0.45 109 N C C 126.39 2.14 17.46 19.85 105.21 -63.70 -80.84 98.75 99.88 0.11 0.01 99.63 0.23 0.07 0.00 0.00 0.00 0.06 0.01