# 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 93.95 9.12 15.87 25.68 115.76 -167.70 -96.16 131.24 99.68 0.30 0.01 99.64 0.12 0.04 0.00 0.00 0.00 0.16 0.03 1 L C C 97.66 7.23 15.64 23.94 114.20 -139.73 -91.10 127.50 87.36 12.32 0.32 85.70 1.88 0.56 0.16 0.12 0.00 6.98 4.61 2 I C C 32.39 17.28 9.30 26.08 119.08 -141.72 -99.77 134.22 91.83 8.09 0.08 73.12 19.51 0.14 0.05 0.03 0.00 5.41 1.74 3 P C C 65.82 3.34 16.64 20.63 115.09 -107.02 -64.90 152.71 96.03 3.80 0.17 96.46 0.46 0.06 0.11 0.02 0.00 2.18 0.71 4 K H H 136.08 4.52 12.19 18.79 91.35 -110.67 -57.07 -38.84 2.04 0.01 97.96 0.42 0.33 1.09 97.28 0.88 0.00 0.00 0.00 5 E H H 134.18 1.14 16.58 16.53 91.48 53.16 -64.44 -39.28 1.07 0.00 98.93 0.13 0.09 0.72 98.04 1.01 0.00 0.00 0.00 6 D H H 46.73 9.69 14.88 25.96 92.70 47.79 -67.41 -38.44 0.62 0.00 99.38 0.13 0.06 0.36 98.46 1.00 0.00 0.00 0.00 7 R H H 55.81 17.47 14.47 31.33 91.58 53.42 -62.39 -42.05 0.25 0.00 99.75 0.05 0.02 0.12 99.69 0.12 0.00 0.00 0.00 8 K H H 110.36 4.34 20.98 25.77 91.49 51.11 -63.78 -41.07 0.25 0.00 99.75 0.03 0.01 0.15 99.76 0.05 0.00 0.00 0.00 9 K H H 100.18 4.13 22.71 26.71 91.62 49.59 -64.59 -41.76 0.28 0.00 99.72 0.03 0.01 0.19 99.72 0.06 0.00 0.00 0.00 10 I H H 8.49 21.59 18.33 40.14 91.41 49.52 -63.70 -43.71 0.23 0.00 99.77 0.02 0.01 0.16 99.74 0.07 0.00 0.00 0.00 11 H H H 35.99 18.63 20.55 38.26 91.34 50.76 -62.78 -42.48 0.47 0.00 99.53 0.04 0.02 0.36 99.37 0.21 0.00 0.00 0.00 12 Q H H 90.15 3.98 24.17 27.92 91.57 50.80 -64.20 -41.54 0.91 0.00 99.09 0.05 0.04 0.78 98.81 0.31 0.00 0.00 0.00 13 Y H H 53.17 10.59 21.88 33.33 91.82 49.15 -64.97 -42.54 1.42 0.01 98.58 0.08 0.09 1.25 98.12 0.45 0.00 0.00 0.00 14 L H H 4.29 25.06 17.24 42.39 91.81 48.90 -65.00 -42.69 3.00 0.02 96.98 0.21 0.26 2.64 95.85 1.00 0.03 0.01 0.01 15 F H H 55.07 17.20 19.26 35.36 93.40 45.02 -70.04 -37.58 6.75 0.06 93.19 0.46 0.59 5.86 90.49 2.44 0.10 0.03 0.03 16 Q H H 113.92 3.06 22.86 25.85 97.29 42.83 -80.30 -37.10 14.62 0.09 85.29 0.79 1.35 12.69 82.44 2.49 0.13 0.04 0.06 17 E H H 85.89 8.57 21.38 30.20 99.27 26.92 -99.20 -13.79 31.58 0.24 68.18 2.32 5.34 23.94 66.22 1.82 0.12 0.08 0.16 18 G C C 8.61 18.33 20.30 38.29 99.86 -118.37 79.24 15.30 93.62 5.54 0.84 36.27 25.01 32.67 0.24 0.51 0.00 4.84 0.46 19 V E E 14.04 20.38 24.07 43.86 125.94 111.37 -118.63 138.55 28.19 71.72 0.10 25.21 2.12 0.16 0.03 0.06 0.00 71.66 0.76 20 V E E 4.56 24.52 24.55 48.59 125.24 -164.52 -118.93 137.14 3.11 96.87 0.02 2.99 0.15 0.02 0.01 0.01 0.00 96.43 0.39 21 V E E 19.91 18.88 27.13 45.25 120.57 -154.24 -111.14 133.20 2.86 97.12 0.03 2.72 0.14 0.02 0.01 0.01 0.00 96.67 0.43 22 A E E 6.30 23.13 18.37 41.45 121.69 -149.68 -100.48 143.54 18.96 80.93 0.10 17.74 0.99 0.11 0.04 0.06 0.00 79.97 1.09 23 K C C 92.81 9.57 22.20 31.63 114.01 -116.60 -72.90 146.06 69.89 29.05 1.06 36.20 30.47 4.26 0.19 0.91 0.00 26.53 1.44 24 K C S 111.51 9.43 18.81 28.25 103.73 -94.93 -74.82 66.04 92.91 5.12 1.97 17.05 65.16 10.86 0.26 1.63 0.00 3.93 1.11 25 D C C 61.24 9.67 16.62 26.87 109.72 62.50 -105.64 99.37 94.12 3.56 2.32 78.66 8.89 5.96 0.40 2.38 0.00 2.04 1.67 26 F C T 83.81 14.30 13.10 27.40 95.28 -171.12 -75.61 -11.84 96.25 2.12 1.63 16.34 19.97 59.74 0.22 1.61 0.00 1.25 0.88 27 N C T 118.27 2.65 18.56 21.66 97.11 60.14 -92.05 9.51 97.70 1.26 1.04 12.45 25.34 59.80 0.10 1.11 0.00 0.79 0.42 28 Q C S 57.57 14.02 11.39 25.73 118.79 118.57 -80.61 142.33 97.87 1.91 0.22 48.73 48.90 0.51 0.06 0.13 0.00 0.66 1.02 29 P C C 70.24 5.88 17.48 24.39 115.37 -103.77 -66.14 151.50 97.20 2.27 0.53 90.55 5.28 1.37 0.13 0.40 0.00 1.31 0.99 30 K C C 125.48 7.21 14.66 23.56 116.04 -107.91 -80.19 141.51 60.26 38.66 1.08 51.76 4.60 0.82 0.52 0.47 0.00 7.51 34.31 31 H C C 36.61 16.24 8.60 24.67 112.79 -122.18 -83.98 132.78 83.13 15.89 0.98 77.12 3.93 1.07 0.49 0.48 0.00 7.07 9.83 32 D C T 130.13 0.70 15.70 14.97 93.25 -137.12 -67.24 -25.77 97.02 0.71 2.27 5.10 16.13 75.72 0.23 2.11 0.00 0.44 0.26 33 E C T 117.15 4.62 14.09 19.99 97.12 47.59 -83.52 -26.10 97.13 0.54 2.32 3.01 16.84 77.31 0.21 2.07 0.00 0.32 0.24 34 I C T 31.88 17.35 9.96 26.60 119.58 36.59 -120.55 127.21 91.42 4.42 4.16 15.67 30.02 45.80 0.73 3.39 0.01 2.07 2.29 35 D C C 116.39 2.08 19.23 21.21 97.44 -134.74 -58.66 34.15 94.67 4.16 1.17 44.72 32.26 18.10 0.38 0.75 0.00 2.71 1.09 36 T C C 29.32 14.86 13.49 29.06 127.84 112.55 -114.11 151.54 78.40 18.91 2.70 48.98 28.14 2.55 2.00 0.93 0.04 10.23 7.14 37 R C C 103.59 7.38 22.93 30.43 111.94 -102.84 -73.63 136.28 51.58 44.42 4.00 47.35 2.26 0.92 3.72 0.66 0.01 15.15 29.95 38 N H H 27.01 21.39 15.76 36.29 94.41 -130.76 -62.58 -36.10 19.21 0.53 80.26 13.91 2.60 3.57 78.30 1.20 0.01 0.28 0.14 39 L H H 70.21 9.51 22.83 32.57 91.48 58.93 -63.41 -34.93 3.00 0.05 96.95 0.96 0.34 1.61 96.17 0.87 0.00 0.02 0.01 40 F H H 68.25 9.67 23.89 34.01 91.80 53.15 -64.92 -40.67 0.62 0.01 99.37 0.18 0.06 0.34 98.77 0.64 0.00 0.01 0.00 41 V H H 2.56 25.53 19.69 45.43 91.46 50.22 -63.60 -43.77 0.18 0.00 99.81 0.04 0.01 0.09 99.67 0.18 0.00 0.00 0.00 42 I H H 22.23 18.96 22.32 40.53 91.26 50.48 -63.07 -42.93 0.13 0.00 99.87 0.02 0.01 0.08 99.78 0.11 0.00 0.00 0.00 43 K H H 105.21 4.57 26.83 31.67 91.64 50.79 -63.91 -41.42 0.29 0.00 99.71 0.02 0.01 0.21 99.50 0.25 0.00 0.00 0.00 44 A H H 13.81 16.09 21.57 38.04 91.53 50.44 -64.42 -41.52 1.20 0.00 98.80 0.06 0.05 0.98 98.31 0.59 0.00 0.00 0.00 45 L H H 4.98 25.17 18.15 43.25 91.59 50.75 -66.83 -37.27 6.59 0.03 93.39 0.54 0.42 5.31 91.67 2.01 0.01 0.01 0.01 46 Q H H 89.53 10.38 21.72 32.09 91.84 59.94 -63.87 -34.66 32.69 0.25 67.07 2.07 2.10 28.49 62.59 4.39 0.10 0.12 0.14 47 S C T 60.66 5.08 21.97 27.12 92.64 55.29 -76.90 -18.79 53.79 0.70 45.51 5.37 4.75 42.27 41.02 5.74 0.12 0.37 0.35 48 L C C 22.89 20.20 13.67 33.33 96.09 69.14 -73.75 -20.95 58.94 9.95 31.11 33.66 15.01 11.29 24.52 6.09 0.25 5.70 3.47 49 T C C 64.85 12.13 16.35 28.20 98.80 74.43 -78.23 -21.13 53.32 24.46 22.21 35.60 8.75 8.73 17.56 5.69 0.23 17.82 5.63 50 S C E 74.11 4.07 16.75 21.68 96.90 66.47 -81.12 -4.52 42.62 37.30 20.08 19.73 11.91 13.27 12.66 7.21 1.29 23.85 10.08 51 K C T 118.80 6.31 15.54 22.97 97.79 56.17 -87.30 18.76 84.68 4.64 10.68 6.14 17.92 61.35 3.59 6.09 0.07 2.96 1.88 52 G C T 46.35 5.15 18.65 24.62 95.04 -101.73 79.89 6.33 96.24 0.71 3.05 3.49 19.85 73.34 0.33 2.31 0.00 0.45 0.23 53 Y C T 50.94 15.58 16.53 32.43 98.19 107.55 -91.07 -19.16 70.30 28.03 1.67 12.98 29.22 30.63 0.26 1.40 0.01 23.39 2.11 54 V E E 7.98 23.38 12.65 36.16 131.41 40.99 -131.10 145.97 16.64 83.25 0.11 12.87 3.56 0.29 0.05 0.07 0.00 79.19 3.97 55 K E E 106.57 5.00 24.36 29.61 119.76 -144.26 -104.68 136.50 7.36 92.63 0.01 6.93 0.30 0.03 0.00 0.01 0.00 92.42 0.32 56 T E E 48.91 18.97 13.38 31.13 123.73 -153.41 -114.14 135.88 4.40 95.60 0.00 4.30 0.13 0.01 0.00 0.00 0.00 95.46 0.10 57 Q E E 82.79 6.29 19.10 26.49 124.03 -171.85 -125.69 135.08 3.14 96.85 0.01 2.82 0.22 0.02 0.00 0.00 0.00 96.80 0.13 58 F E E 110.56 10.00 12.83 23.74 118.26 -148.22 -104.47 130.50 12.47 87.50 0.03 10.40 1.42 0.17 0.01 0.02 0.00 87.45 0.53 59 S C C 47.03 6.77 12.58 21.01 124.57 174.26 -122.81 147.20 69.67 30.24 0.10 62.46 4.77 0.43 0.02 0.08 0.00 31.55 0.69 60 W C S 191.53 2.66 13.92 17.26 97.11 -74.71 -54.87 -32.37 98.31 1.18 0.51 8.07 63.52 26.89 0.04 0.44 0.00 0.86 0.18 61 Q C S 114.21 4.59 14.64 20.19 101.88 9.64 -101.92 -15.54 98.02 1.55 0.43 5.89 65.97 26.32 0.03 0.37 0.00 1.26 0.16 62 Y E E 76.53 9.82 15.12 26.32 132.47 36.28 -134.16 152.86 42.38 57.40 0.21 27.12 13.78 2.28 0.03 0.22 0.00 55.85 0.73 63 Y E E 45.86 15.02 16.49 32.48 122.11 -146.48 -114.31 135.80 8.53 91.46 0.02 7.59 0.59 0.06 0.00 0.01 0.00 91.50 0.25 64 Y E E 35.41 14.62 21.21 36.74 127.35 -170.37 -124.85 141.14 1.35 98.65 0.00 1.22 0.05 0.00 0.00 0.00 0.00 98.68 0.04 65 Y E E 18.59 20.64 20.32 40.93 124.66 -161.53 -118.16 138.09 0.70 99.30 0.00 0.63 0.02 0.00 0.00 0.00 0.00 99.31 0.04 66 T E E 26.71 14.28 25.66 40.06 126.21 -164.56 -119.88 141.18 2.49 97.51 0.00 2.26 0.12 0.01 0.00 0.00 0.00 97.48 0.14 67 L E E 8.28 24.08 17.02 41.69 113.84 -120.74 -79.58 132.13 19.68 80.31 0.01 19.25 0.52 0.02 0.00 0.00 0.00 78.55 1.66 68 T C C 31.73 10.49 21.32 32.77 124.59 -138.61 -86.06 169.14 96.57 3.36 0.07 96.03 1.08 0.04 0.04 0.01 0.00 2.58 0.22 69 D H H 97.19 5.38 19.27 25.90 90.97 -96.48 -59.57 -36.70 2.39 0.01 97.61 0.38 0.33 1.57 97.29 0.42 0.00 0.00 0.00 70 E H H 104.02 3.31 22.67 25.59 91.48 52.85 -64.50 -39.97 0.77 0.00 99.23 0.05 0.04 0.61 98.91 0.39 0.00 0.00 0.00 71 G H H 2.90 21.22 16.18 37.95 91.58 50.57 -63.63 -42.60 0.49 0.00 99.50 0.06 0.03 0.33 99.21 0.37 0.00 0.00 0.00 72 V H H 16.12 19.39 18.20 37.46 91.57 50.31 -63.52 -42.42 0.13 0.00 99.87 0.01 0.01 0.07 99.86 0.05 0.00 0.00 0.00 73 E H H 104.71 3.00 24.31 26.56 91.44 50.50 -63.71 -41.89 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 74 F H H 57.73 8.90 21.27 31.26 91.71 49.03 -64.11 -42.69 0.15 0.00 99.85 0.01 0.01 0.11 99.85 0.03 0.00 0.00 0.00 75 L H H 5.45 23.73 16.35 40.22 91.65 48.88 -64.36 -42.57 0.16 0.00 99.84 0.01 0.01 0.12 99.82 0.04 0.00 0.00 0.00 76 R H H 72.63 13.18 17.35 30.68 91.88 50.45 -63.50 -41.67 0.22 0.00 99.78 0.01 0.01 0.17 99.74 0.07 0.00 0.00 0.00 77 T H H 96.88 1.57 20.68 20.83 93.49 45.46 -67.32 -40.61 0.58 0.00 99.42 0.02 0.02 0.54 99.31 0.12 0.00 0.00 0.00 78 E H H 75.25 10.42 16.94 27.91 94.33 44.69 -73.35 -37.13 3.54 0.00 96.45 0.06 0.12 3.44 96.18 0.19 0.00 0.00 0.00 79 L H H 28.28 17.58 13.72 31.44 97.02 35.25 -97.50 -4.48 44.81 0.14 55.05 1.31 3.74 38.23 55.74 0.77 0.06 0.03 0.12 80 N C T 121.44 2.31 20.45 22.68 94.20 -124.13 58.60 42.49 99.51 0.07 0.42 23.59 3.30 72.75 0.17 0.11 0.00 0.03 0.03 81 I C C 26.96 19.48 8.70 27.19 120.50 162.94 -90.58 140.29 99.66 0.30 0.04 94.97 4.59 0.07 0.01 0.01 0.00 0.09 0.25 82 P C C 68.99 4.13 17.18 22.01 115.97 -104.43 -65.11 151.91 99.47 0.18 0.34 98.62 0.63 0.36 0.06 0.17 0.00 0.07 0.10 83 E C T 145.08 3.44 14.01 19.46 108.65 -96.50 -62.80 136.09 90.20 0.30 9.50 1.85 7.87 79.53 0.53 9.87 0.00 0.17 0.18 84 G C T 55.51 2.49 17.57 20.50 96.91 29.60 81.60 -2.82 88.77 0.68 10.55 3.17 6.28 78.21 0.52 11.16 0.00 0.46 0.19 85 I C C 56.16 13.32 14.58 28.32 106.13 87.79 -89.61 56.87 79.26 11.01 9.72 52.99 17.89 7.43 1.49 9.23 0.01 5.69 5.27 86 L C C 39.03 16.88 13.44 30.19 117.55 95.12 -96.56 130.99 86.36 13.02 0.62 56.34 30.67 0.47 0.47 0.21 0.00 8.73 3.11 87 P C C 35.98 10.54 15.50 27.88 113.56 -110.83 -65.04 145.55 82.47 16.32 1.21 79.70 2.22 0.52 0.59 0.45 0.00 11.69 4.83 88 L H G 103.11 6.46 14.91 22.73 92.31 -122.37 -62.17 -30.62 35.21 1.30 63.49 13.00 7.49 14.96 20.26 43.07 0.01 0.75 0.45 89 T H G 83.00 4.35 15.51 20.87 93.82 64.29 -74.67 -18.68 32.49 1.49 66.02 9.71 6.49 16.48 22.83 43.03 0.08 0.86 0.53 90 R H G 91.18 11.49 12.15 24.07 98.01 58.28 -87.08 -3.77 30.17 2.85 66.98 14.76 6.62 9.96 23.11 42.99 0.05 1.72 0.79 91 L C C 75.86 11.14 11.02 22.57 106.12 86.60 -82.09 71.16 57.94 6.28 35.78 36.95 13.39 8.53 25.48 9.50 0.07 2.88 3.19 92 K C C 145.26 2.78 12.58 16.54 104.00 61.41 -83.31 17.72 73.71 4.01 22.28 45.75 16.15 11.69 17.25 5.26 0.02 1.99 1.89 93 N C C 119.36 2.45 11.52 15.51 112.38 11.00 -91.67 117.50 83.69 2.40 13.91 54.14 19.76 9.65 10.17 3.78 0.01 1.01 1.50 94 A C C 63.60 6.59 8.66 16.98 116.64 -127.98 -83.88 143.69 92.71 1.25 6.03 72.80 17.36 2.46 4.79 1.29 0.00 0.48 0.83 95 P C C 91.78 3.90 10.22 15.97 112.36 -103.91 -67.58 147.99 89.09 1.20 9.71 80.51 4.96 4.20 5.21 3.82 0.00 0.58 0.72 96 A C C 85.14 2.52 9.72 14.04 110.57 -105.69 -75.65 139.91 87.90 1.70 10.40 72.63 9.17 6.08 4.97 5.27 0.00 0.82 1.06 97 E C C 142.75 2.59 9.15 13.68 113.48 -116.26 -86.86 130.55 91.13 1.99 6.88 68.62 17.36 4.88 3.46 3.37 0.00 0.84 1.46 98 R C C 159.31 2.85 8.99 13.97 116.99 -132.66 -89.94 136.77 97.36 1.04 1.60 74.21 22.19 0.98 1.10 0.48 0.00 0.40 0.63 99 P C C 98.89 3.07 9.14 14.25 114.09 -105.95 -66.30 147.75 97.28 0.81 1.91 90.60 5.48 1.30 1.15 0.60 0.00 0.32 0.55 100 R C C 161.24 2.91 8.67 13.66 114.11 -106.76 -78.12 139.89 96.28 1.03 2.69 87.71 7.14 1.47 1.57 0.99 0.00 0.39 0.74 101 P C C 104.91 2.41 9.37 13.55 111.34 -104.74 -68.39 145.63 92.52 1.33 6.15 75.24 9.15 8.05 2.28 3.83 0.00 0.67 0.78 102 S C C 91.63 1.93 8.63 12.14 105.71 -109.34 -82.46 86.34 90.82 2.53 6.65 69.72 11.29 9.52 2.16 4.53 0.00 1.31 1.47 103 R C C 163.73 2.65 8.36 12.78 107.94 72.37 -88.91 91.63 92.17 2.90 4.93 67.97 14.98 8.98 1.57 3.31 0.00 1.40 1.79 104 G C C 55.48 2.32 9.94 13.76 111.88 -116.75 75.02 146.23 95.47 1.97 2.56 61.53 24.33 9.56 0.76 1.72 0.00 0.92 1.16 105 G C C 42.82 4.04 9.89 15.66 124.43 -117.21 101.55 175.85 96.96 1.70 1.34 59.57 32.92 4.45 0.38 0.94 0.00 0.76 0.98 106 P C C 108.31 2.34 11.33 14.78 107.62 -59.24 -71.00 136.44 92.31 2.30 5.38 60.08 15.89 15.99 1.19 4.39 0.00 1.24 1.21 107 R C C 152.81 3.94 8.72 14.48 111.43 -123.71 -89.35 120.72 88.38 4.68 6.94 58.14 15.64 14.11 1.95 5.02 0.00 2.24 2.89 108 R C C 166.97 2.47 10.23 14.33 108.46 -128.05 -83.72 116.27 85.53 3.54 10.93 50.87 15.70 19.10 3.32 7.27 0.00 1.78 1.96 109 G C C 51.58 3.34 11.46 16.17 110.08 1.33 76.32 135.55 85.04 1.78 13.18 36.00 19.71 30.08 4.05 8.32 0.00 0.82 1.03 110 G C C 43.49 5.06 12.00 18.40 109.27 8.02 68.35 -47.19 80.01 2.24 17.74 37.77 19.91 23.24 6.53 10.18 0.01 1.01 1.36 111 Y C C 132.18 5.92 10.99 18.31 105.68 4.34 -83.90 53.59 68.27 4.72 27.01 40.05 15.14 13.48 14.99 11.33 0.04 2.23 2.74 112 R C C 133.37 4.95 11.59 18.02 105.28 100.08 -84.91 35.38 63.28 4.32 32.40 38.92 12.34 12.73 20.19 11.32 0.04 2.21 2.25 113 G C C 40.23 5.18 11.12 17.75 103.67 53.23 -63.45 -30.00 62.47 2.84 34.70 39.56 10.57 12.69 19.22 14.99 0.02 1.50 1.45 114 R C C 153.28 3.15 10.25 14.86 101.87 28.13 -79.42 -0.17 58.23 2.38 39.38 29.71 12.63 16.84 19.16 19.18 0.04 1.16 1.28 115 A C C 77.75 3.13 8.97 13.72 101.89 61.45 -82.09 0.98 64.94 2.04 33.03 34.26 13.14 18.32 14.57 17.55 0.02 0.95 1.19 116 R C C 162.84 2.66 8.75 13.08 107.34 67.86 -84.66 100.20 81.11 1.40 17.50 64.33 4.44 13.74 8.35 7.56 0.00 0.72 0.87 117 D C C 112.90 2.40 10.89 14.80 106.47 69.92 -83.80 95.78 99.82 0.07 0.11 99.14 0.34 0.39 0.04 0.03 0.00 0.03 0.02