# 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 97.45 8.48 15.46 24.73 114.88 -167.81 -95.08 130.13 99.73 0.26 0.01 99.69 0.10 0.04 0.00 0.00 0.00 0.14 0.02 1 L C C 99.91 6.83 14.96 22.90 114.09 -141.34 -91.91 127.92 86.33 13.24 0.43 84.01 2.12 0.75 0.22 0.16 0.00 7.45 5.30 2 M C C 39.79 16.20 8.97 24.78 119.73 -147.25 -97.23 137.65 92.38 7.53 0.09 68.87 24.21 0.19 0.06 0.04 0.00 5.05 1.58 3 P C C 67.33 3.26 16.16 20.06 115.06 -105.79 -65.31 153.23 96.91 2.88 0.21 97.01 0.54 0.08 0.14 0.02 0.00 1.66 0.55 4 K H H 140.88 3.91 11.91 17.91 91.58 -109.39 -57.46 -38.88 2.80 0.01 97.19 0.56 0.47 1.58 95.96 1.43 0.00 0.00 0.00 5 E H H 136.69 1.08 15.94 15.89 91.68 53.09 -64.90 -39.03 1.83 0.01 98.16 0.23 0.18 1.27 96.50 1.81 0.00 0.00 0.00 6 D H H 49.72 9.10 14.54 25.06 93.10 47.13 -68.35 -37.30 1.24 0.01 98.74 0.31 0.13 0.72 96.80 2.03 0.00 0.01 0.00 7 R H H 58.30 16.95 13.99 30.42 91.66 54.33 -62.32 -42.07 0.51 0.00 99.48 0.13 0.05 0.24 99.38 0.20 0.00 0.00 0.00 8 N H H 86.74 4.01 20.74 25.01 91.51 51.01 -64.17 -40.63 0.49 0.00 99.50 0.07 0.03 0.29 99.53 0.09 0.00 0.00 0.00 9 K H H 102.29 3.82 22.30 25.88 91.71 49.75 -64.69 -41.80 0.42 0.00 99.58 0.05 0.02 0.26 99.58 0.09 0.00 0.00 0.00 10 I H H 9.66 20.97 17.86 39.09 91.36 49.51 -63.64 -43.83 0.31 0.00 99.69 0.04 0.02 0.19 99.67 0.08 0.00 0.00 0.00 11 H H H 39.82 17.98 20.17 37.28 91.37 50.85 -62.59 -42.41 0.51 0.00 99.49 0.05 0.02 0.37 99.35 0.20 0.00 0.00 0.00 12 Q H H 93.11 3.54 23.95 27.06 91.55 50.86 -64.24 -41.57 0.86 0.00 99.13 0.06 0.04 0.72 98.91 0.28 0.00 0.00 0.00 13 Y H H 55.23 10.30 21.52 32.75 91.83 49.23 -64.84 -42.64 1.18 0.00 98.81 0.08 0.08 1.00 98.47 0.37 0.00 0.00 0.00 14 L H H 5.13 24.65 16.80 41.47 91.70 49.17 -64.99 -42.54 2.04 0.01 97.95 0.15 0.18 1.74 97.12 0.76 0.02 0.01 0.01 15 F H H 61.56 16.36 19.16 34.50 93.77 45.61 -69.95 -38.44 4.38 0.03 95.59 0.27 0.35 3.87 93.72 1.71 0.06 0.01 0.01 16 Q H H 116.07 2.80 22.54 25.13 97.01 42.47 -78.44 -37.63 10.11 0.05 89.84 0.47 0.83 8.98 87.98 1.63 0.06 0.02 0.02 17 E H H 86.40 8.33 21.07 29.68 99.22 27.25 -100.13 -14.91 25.83 0.18 73.99 1.93 4.64 19.44 72.49 1.24 0.10 0.06 0.12 18 G C C 8.50 18.12 19.80 37.76 99.46 -119.98 78.14 19.39 93.94 5.21 0.85 42.45 18.17 33.48 0.27 0.48 0.00 4.75 0.41 19 V E E 14.44 20.33 23.75 43.43 124.64 130.92 -117.59 138.67 26.25 73.67 0.07 23.96 1.56 0.11 0.02 0.04 0.00 73.56 0.74 20 V E E 5.99 23.89 24.63 47.93 122.81 -160.75 -115.83 135.03 3.07 96.91 0.02 3.00 0.13 0.02 0.01 0.01 0.00 96.48 0.36 21 V E E 21.26 18.66 26.69 44.51 121.42 -158.07 -113.84 131.59 3.07 96.90 0.03 2.91 0.14 0.02 0.01 0.01 0.00 96.47 0.43 22 A E E 7.07 22.65 17.81 40.43 120.42 -146.17 -95.30 144.10 18.60 81.27 0.13 17.37 0.99 0.12 0.05 0.07 0.00 80.39 1.00 23 K C C 98.37 9.16 21.81 30.93 111.74 -120.82 -75.52 144.78 66.14 32.49 1.37 32.85 30.09 4.44 0.26 1.08 0.00 29.95 1.33 24 K C S 111.87 8.83 19.02 27.92 107.24 -84.57 -79.21 119.14 90.65 6.38 2.97 15.79 63.21 11.93 0.47 2.20 0.00 5.15 1.24 25 D C C 62.42 9.65 17.19 27.34 107.46 52.19 -99.65 94.99 93.03 3.39 3.59 76.75 8.93 6.85 0.69 3.28 0.00 2.06 1.44 26 F C T 68.63 16.11 13.04 28.77 96.60 166.73 -75.98 -13.57 90.54 2.54 6.92 24.08 17.14 49.43 1.66 5.08 0.01 1.28 1.33 27 N C T 110.63 3.99 18.24 23.16 97.82 60.12 -91.02 15.85 90.77 1.49 7.73 19.74 20.31 50.93 1.92 5.49 0.01 0.76 0.84 28 Q C C 66.86 12.50 11.83 24.91 115.44 124.05 -82.02 139.70 85.99 2.17 11.84 57.21 22.99 5.87 4.67 6.78 0.00 0.82 1.65 29 A C C 63.07 5.24 16.33 22.57 113.71 -105.44 -70.08 149.97 80.83 2.51 16.65 57.77 11.43 11.21 5.87 11.03 0.00 1.28 1.42 30 K C C 129.39 6.12 14.19 22.04 114.50 -106.23 -80.48 138.36 73.35 8.67 17.99 46.61 14.43 11.82 6.26 11.68 0.04 3.83 5.32 31 H C C 45.32 15.52 8.65 23.83 111.87 -133.75 -93.80 122.54 80.97 6.63 12.40 66.15 8.29 5.89 5.39 7.01 0.01 3.00 4.26 32 E C T 160.50 0.97 15.26 15.59 93.91 -150.28 -68.77 -25.40 85.93 1.14 12.93 14.11 20.27 52.05 4.21 8.05 0.01 0.60 0.69 33 E C T 123.96 3.89 13.91 18.98 96.19 51.86 -85.11 -19.63 86.73 1.24 12.02 10.99 23.48 53.07 3.58 7.47 0.01 0.66 0.73 34 I C C 33.43 17.50 8.86 25.35 119.58 53.90 -113.97 130.32 83.69 5.19 11.12 33.39 32.38 18.64 4.27 5.74 0.04 2.03 3.51 35 D C C 120.51 1.57 18.94 20.03 99.61 -141.46 -78.24 32.66 94.86 2.33 2.81 48.68 32.68 13.77 1.40 1.29 0.00 1.39 0.78 36 T C C 34.03 14.33 12.94 27.90 127.36 104.55 -113.64 151.20 85.90 6.99 7.11 52.37 29.44 4.33 5.61 1.78 0.02 3.13 3.33 37 K C C 97.98 6.85 22.51 29.31 110.65 -104.63 -74.92 136.24 77.99 7.60 14.41 70.99 3.65 2.76 13.83 1.58 0.00 3.41 3.79 38 N H H 31.60 20.99 15.33 35.23 94.98 -130.20 -63.22 -34.54 20.90 0.48 78.61 15.16 2.93 3.54 76.86 1.15 0.00 0.21 0.16 39 L H H 73.11 8.92 22.15 31.38 91.70 61.96 -63.40 -35.40 2.86 0.06 97.08 1.20 0.36 1.26 96.32 0.82 0.00 0.03 0.01 40 Y H H 79.45 9.46 23.30 33.16 91.83 53.15 -64.84 -40.63 0.65 0.02 99.33 0.23 0.07 0.33 98.69 0.67 0.00 0.01 0.00 41 V H H 3.17 25.09 19.15 44.42 91.71 49.96 -63.80 -43.62 0.26 0.01 99.73 0.07 0.02 0.13 99.49 0.28 0.00 0.00 0.00 42 I H H 24.11 18.63 21.83 39.76 91.55 50.16 -63.24 -42.67 0.24 0.00 99.75 0.04 0.02 0.15 99.57 0.22 0.00 0.00 0.00 43 K H H 105.56 4.68 26.28 31.23 91.56 51.06 -64.06 -40.81 0.74 0.00 99.25 0.07 0.04 0.56 98.78 0.55 0.00 0.00 0.00 44 A H H 15.85 16.03 21.01 37.34 91.55 50.88 -65.13 -39.91 3.35 0.01 96.65 0.17 0.16 2.85 95.82 0.99 0.01 0.00 0.00 45 L H H 6.21 24.66 17.50 42.01 92.56 51.10 -71.57 -29.95 14.57 0.10 85.34 1.80 1.25 11.23 82.57 3.02 0.03 0.04 0.05 46 Q H H 91.96 10.10 20.93 31.24 92.66 72.01 -63.02 -34.81 39.75 0.82 59.43 5.09 3.78 30.22 51.86 8.02 0.18 0.48 0.37 47 S C T 61.06 5.05 21.62 26.74 92.84 54.84 -75.33 -21.00 53.53 1.58 44.89 8.88 6.12 37.39 36.36 9.48 0.17 1.00 0.61 48 L C C 24.53 19.71 13.85 33.00 95.45 62.70 -73.54 -18.68 55.86 8.31 35.83 31.10 13.53 12.33 26.30 8.82 0.23 5.14 2.55 49 T C C 62.19 12.91 15.95 28.44 97.45 72.53 -75.51 -27.30 51.52 23.28 25.20 33.28 9.25 9.15 19.28 6.52 0.30 16.84 5.38 50 S C E 74.32 4.04 16.77 21.62 95.76 66.72 -78.84 -4.83 44.17 34.50 21.33 21.17 12.30 12.60 13.58 7.43 1.31 21.88 9.71 51 K C T 121.64 5.85 15.57 22.57 97.26 56.01 -87.46 20.81 86.22 3.74 10.04 5.76 17.58 63.59 3.56 5.51 0.06 2.32 1.63 52 G C T 46.09 5.28 18.56 24.67 94.89 -103.16 79.02 6.28 96.62 0.56 2.82 3.21 19.11 74.76 0.31 2.08 0.00 0.35 0.18 53 Y C T 49.73 15.87 16.64 32.75 98.88 104.24 -92.02 -19.63 70.29 28.15 1.55 12.83 29.47 30.44 0.23 1.30 0.01 23.89 1.83 54 V E E 6.91 23.82 12.71 36.76 130.95 42.05 -129.83 146.00 14.89 85.05 0.06 11.89 2.78 0.20 0.02 0.04 0.00 82.72 2.35 55 K E E 103.85 5.25 24.61 30.12 120.46 -148.49 -105.94 138.65 4.65 95.34 0.00 4.44 0.14 0.01 0.00 0.00 0.00 95.25 0.15 56 T E E 47.97 19.30 13.47 31.48 123.58 -154.59 -116.03 136.25 1.90 98.10 0.00 1.92 0.04 0.00 0.00 0.00 0.00 98.00 0.04 57 Q E E 83.46 6.10 19.45 26.59 124.64 -172.77 -127.05 136.52 1.43 98.57 0.00 1.31 0.08 0.00 0.00 0.00 0.00 98.55 0.05 58 F E E 108.68 10.68 12.68 24.07 118.50 -149.38 -105.76 130.93 9.40 90.59 0.01 8.06 0.80 0.07 0.00 0.01 0.00 90.75 0.30 59 S C C 47.91 6.32 13.19 21.12 125.13 175.46 -125.19 152.63 76.36 23.59 0.05 71.21 3.16 0.26 0.01 0.04 0.00 24.89 0.44 60 W C S 192.42 2.68 14.22 17.63 96.34 -68.90 -53.22 -37.29 99.35 0.43 0.22 3.63 71.32 24.50 0.01 0.18 0.00 0.29 0.07 61 Q C S 112.80 5.22 14.59 20.76 101.79 7.78 -103.93 -11.43 98.92 0.89 0.18 2.70 72.83 23.53 0.01 0.15 0.00 0.71 0.08 62 Y E E 71.88 10.54 15.39 27.25 131.75 43.48 -132.39 150.85 33.99 65.96 0.05 25.99 7.14 0.41 0.01 0.05 0.00 65.90 0.50 63 Y E E 40.97 15.53 17.03 33.52 122.14 -148.13 -114.41 134.96 2.86 97.14 0.00 2.71 0.09 0.00 0.00 0.00 0.00 97.09 0.10 64 Y E E 29.69 15.40 21.57 37.81 125.56 -169.14 -122.01 138.36 0.49 99.51 0.00 0.45 0.01 0.00 0.00 0.00 0.00 99.52 0.01 65 Y E E 17.66 20.69 21.16 41.76 124.76 -162.04 -117.45 138.70 0.32 99.68 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.69 0.01 66 T E E 23.20 15.17 25.60 40.76 126.85 -165.86 -121.35 142.10 1.46 98.53 0.00 1.37 0.05 0.00 0.00 0.00 0.00 98.53 0.05 67 L E E 7.96 24.03 17.34 41.99 113.52 -119.40 -80.35 133.33 15.51 84.48 0.01 15.38 0.34 0.01 0.00 0.00 0.00 83.24 1.03 68 T C C 29.97 10.85 21.22 33.08 124.14 -137.63 -84.67 168.22 95.55 4.40 0.04 95.29 0.85 0.03 0.02 0.01 0.00 3.59 0.22 69 E H H 122.38 5.40 19.37 26.06 90.77 -99.15 -59.30 -37.44 1.84 0.00 98.15 0.24 0.21 1.26 97.86 0.42 0.00 0.00 0.00 70 E H H 104.02 3.25 22.78 25.62 91.37 52.86 -64.26 -40.17 0.61 0.00 99.39 0.03 0.03 0.50 99.01 0.43 0.00 0.00 0.00 71 G H H 2.63 21.60 16.09 38.28 91.54 50.41 -64.04 -42.79 0.40 0.00 99.60 0.04 0.02 0.27 99.21 0.45 0.00 0.00 0.00 72 V H H 16.50 19.31 18.25 37.41 91.57 50.52 -63.52 -42.43 0.13 0.00 99.87 0.02 0.00 0.07 99.85 0.06 0.00 0.00 0.00 73 E H H 103.62 2.88 24.23 26.26 91.52 50.84 -63.64 -41.93 0.15 0.00 99.85 0.01 0.00 0.10 99.86 0.03 0.00 0.00 0.00 74 Y H H 63.56 8.88 21.17 31.18 91.73 49.20 -64.26 -42.61 0.23 0.00 99.77 0.01 0.01 0.17 99.76 0.04 0.00 0.00 0.00 75 L H H 5.30 23.94 16.05 40.13 91.69 49.41 -64.47 -42.56 0.19 0.00 99.81 0.02 0.01 0.13 99.78 0.06 0.00 0.00 0.00 76 R H H 74.19 12.89 17.25 30.35 91.79 50.52 -63.78 -41.09 0.20 0.00 99.80 0.01 0.01 0.14 99.76 0.08 0.00 0.00 0.00 77 E H H 133.33 1.43 20.47 20.41 92.87 47.27 -66.69 -40.67 0.51 0.00 99.49 0.02 0.01 0.45 99.39 0.13 0.00 0.00 0.00 78 Y H H 92.66 10.27 16.80 27.59 94.98 43.11 -74.86 -37.64 3.14 0.00 96.85 0.06 0.10 3.02 96.61 0.21 0.00 0.00 0.00 79 L H H 28.68 17.53 13.39 31.07 97.22 33.52 -97.81 -5.02 39.38 0.11 60.51 1.13 3.07 33.96 60.96 0.73 0.04 0.03 0.09 80 N C T 123.46 2.00 20.33 22.14 93.89 -124.87 58.64 40.49 99.42 0.07 0.51 22.47 3.09 74.02 0.24 0.12 0.00 0.03 0.03 81 L C C 27.04 19.55 8.56 27.05 119.51 167.75 -86.70 144.37 99.70 0.25 0.04 94.65 4.95 0.10 0.02 0.02 0.00 0.07 0.19 82 P C C 63.70 4.43 17.49 22.81 114.46 -104.27 -65.73 151.46 99.25 0.24 0.51 98.31 0.69 0.44 0.09 0.27 0.00 0.09 0.13 83 E C T 137.02 5.39 13.00 20.39 93.34 -111.12 -63.67 -24.47 89.03 0.48 10.48 3.37 15.62 68.58 0.58 11.33 0.00 0.27 0.24 84 H C T 143.59 2.21 17.53 20.04 96.59 63.04 -84.53 0.66 86.62 2.16 11.22 6.20 10.29 68.51 0.71 12.18 0.00 1.65 0.45 85 I C C 48.52 16.00 12.17 28.04 111.76 113.43 -85.54 120.08 74.65 15.82 9.53 51.33 16.64 6.18 1.65 8.73 0.01 9.76 5.71 86 V C C 53.28 11.64 16.08 28.58 118.84 163.43 -107.70 126.04 79.68 19.66 0.66 58.27 21.60 0.58 0.42 0.30 0.00 14.99 3.84 87 P C C 45.22 11.32 14.85 27.39 113.20 -111.92 -65.28 146.30 75.96 20.18 3.85 69.26 4.25 1.71 1.51 2.17 0.00 16.82 4.28 88 G H G 44.21 7.12 14.59 23.00 94.83 -121.65 -63.88 -27.68 47.53 1.81 50.66 20.22 11.40 16.38 13.93 36.40 0.01 1.06 0.61 89 T H G 85.10 4.48 15.66 21.00 94.16 65.42 -77.68 -15.67 42.86 2.38 54.76 16.00 9.67 17.90 17.55 36.64 0.05 1.37 0.83 90 Y H G 89.03 11.64 12.37 24.48 98.73 57.33 -91.06 -4.60 40.15 4.96 54.89 22.26 8.74 10.57 19.22 34.80 0.04 3.05 1.34 91 I C C 72.98 11.43 11.25 23.12 106.71 86.00 -86.27 84.45 59.32 8.64 32.04 42.08 11.23 6.35 24.44 7.56 0.04 4.61 3.68 92 Q C C 119.84 3.94 12.36 17.79 107.64 111.04 -85.74 87.80 69.10 5.84 25.05 50.36 10.55 7.49 20.47 5.44 0.02 3.62 2.07 93 E C C 128.99 3.70 10.84 16.33 110.18 81.06 -88.76 118.86 76.23 4.10 19.67 54.01 13.59 8.23 15.43 4.77 0.01 2.29 1.67 94 R C C 154.75 3.90 10.13 15.93 111.90 -142.71 -89.43 124.25 83.31 3.56 13.13 61.56 14.75 6.41 10.38 3.03 0.00 1.54 2.33 95 N C C 98.04 4.98 9.30 16.05 113.18 -125.64 -91.78 124.68 94.54 1.11 4.36 75.66 16.14 2.62 3.28 1.13 0.00 0.49 0.67 96 P C C 90.48 4.41 9.34 15.60 108.24 -121.82 -71.53 143.73 92.99 0.76 6.25 76.45 9.19 7.47 3.36 2.72 0.00 0.39 0.41 97 T C C 111.05 1.84 9.68 12.72 103.79 -131.21 -86.20 12.83 93.91 0.99 5.09 68.86 16.52 8.53 2.39 2.62 0.00 0.47 0.62 98 Q C C 125.63 2.63 9.33 13.77 116.11 87.15 -95.77 134.92 95.73 1.21 3.06 68.43 23.07 4.22 1.34 1.56 0.00 0.52 0.86 99 R C C 152.86 3.68 8.57 14.40 116.11 -121.45 -85.58 138.59 98.24 0.68 1.09 80.91 16.12 1.24 0.58 0.44 0.00 0.28 0.42 100 P C C 85.98 4.67 8.60 15.25 112.48 -105.04 -66.88 148.40 90.69 0.97 8.34 73.41 6.80 10.13 1.93 6.71 0.00 0.54 0.48 101 Q C C 138.78 2.00 8.67 12.37 111.38 -124.85 -83.48 131.02 85.00 2.54 12.46 53.75 15.31 15.30 2.30 10.83 0.00 1.45 1.04 102 R C C 168.88 2.36 7.66 11.95 113.41 -140.80 -92.65 129.30 81.24 5.11 13.65 54.00 15.29 11.46 2.41 11.96 0.00 3.20 1.68 103 R C C 173.45 2.04 7.73 11.53 109.90 -155.10 -92.67 110.49 88.41 4.83 6.76 79.98 2.73 6.65 1.77 4.03 0.00 3.01 1.84 104 Y C C 157.89 3.87 9.24 14.85 110.04 69.92 -93.32 108.52 99.80 0.16 0.04 99.62 0.15 0.11 0.01 0.01 0.00 0.08 0.03