# 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 102.73 7.40 11.84 20.45 116.00 -165.74 -98.00 135.61 99.86 0.11 0.02 99.79 0.09 0.05 0.01 0.00 0.00 0.05 0.01 1 D C C 104.21 3.04 11.51 15.95 111.16 -146.40 -91.26 118.16 87.33 7.23 5.44 83.60 1.41 3.12 3.09 1.56 0.00 5.16 2.06 2 V C C 87.21 6.88 8.51 16.80 110.49 -167.04 -92.22 113.62 77.38 12.01 10.61 58.61 11.80 6.90 5.51 4.90 0.01 10.00 2.27 3 E C C 129.46 2.96 11.74 16.09 111.81 -153.68 -92.06 120.30 74.55 14.41 11.04 60.41 8.36 5.42 6.01 4.91 0.01 12.03 2.85 4 M C C 101.78 6.69 9.92 18.05 112.57 -137.90 -89.18 125.50 76.99 11.18 11.83 60.78 10.31 5.59 7.43 4.56 0.01 8.95 2.37 5 K C C 123.51 4.93 11.68 18.13 111.62 -152.18 -90.49 123.74 81.67 7.09 11.23 63.20 12.06 6.16 7.40 4.10 0.00 5.18 1.89 6 K C C 115.09 5.91 10.57 17.90 109.08 -119.74 -82.51 122.76 81.77 4.35 13.87 65.15 8.91 7.67 7.18 6.70 0.00 2.89 1.50 7 Q C T 125.35 3.15 12.07 16.57 99.67 -133.77 -73.69 -19.79 82.94 2.51 14.54 31.83 15.25 36.87 6.03 7.63 0.01 1.39 1.02 8 D C T 97.01 4.44 12.09 17.90 102.79 49.33 -84.78 14.11 83.70 2.39 13.91 31.32 17.25 36.14 5.49 7.56 0.01 1.27 0.98 9 I C C 74.94 9.59 9.80 20.32 110.61 111.02 -91.22 117.14 80.06 4.67 15.27 50.59 20.98 8.66 9.67 5.50 0.01 2.21 2.37 10 D C C 94.80 3.62 14.32 18.89 105.85 -118.45 -82.71 89.28 80.83 3.03 16.14 59.85 11.41 9.15 11.76 4.84 0.00 1.76 1.23 11 V C C 71.75 8.77 11.39 21.19 100.13 73.96 -79.50 -18.05 61.73 3.27 35.00 37.41 11.40 13.26 21.80 12.95 0.03 1.79 1.37 12 A C C 60.79 6.44 12.28 20.01 98.02 71.11 -71.90 -28.18 58.56 2.88 38.56 30.38 11.85 16.83 21.73 16.42 0.04 1.55 1.20 13 S C C 75.30 3.85 12.81 17.91 99.24 59.11 -81.37 -11.23 58.43 3.14 38.43 29.08 12.90 16.90 21.08 17.05 0.04 1.71 1.25 14 T C C 83.50 5.38 12.19 18.96 103.23 67.07 -87.27 14.98 63.52 4.00 32.49 36.70 14.24 12.83 19.29 13.17 0.03 2.24 1.48 15 M C C 96.88 8.50 12.10 21.61 110.49 96.50 -87.28 113.41 72.71 6.96 20.33 50.90 12.62 9.24 12.11 8.39 0.01 5.16 1.56 16 E C C 110.13 6.30 15.71 23.13 112.39 -148.76 -89.99 125.35 69.49 18.24 12.27 50.30 11.28 7.82 5.89 5.92 0.01 16.74 2.04 17 T C C 60.60 12.01 14.61 26.99 120.82 -155.86 -106.02 136.42 54.60 42.00 3.41 43.36 7.72 3.00 1.37 1.80 0.00 41.20 1.53 18 M E E 48.56 14.25 16.44 31.25 123.24 -164.55 -114.60 137.02 25.88 73.37 0.75 21.69 3.57 0.79 0.29 0.39 0.00 72.36 0.91 19 K E E 92.21 10.33 20.80 31.50 121.51 -152.61 -110.48 132.93 13.14 86.74 0.11 11.74 1.23 0.13 0.03 0.05 0.00 86.42 0.39 20 V E E 11.97 21.57 17.01 38.71 123.17 -167.48 -118.53 133.10 5.86 94.12 0.02 5.63 0.19 0.02 0.01 0.01 0.00 94.02 0.13 21 C E E 37.84 10.83 24.51 35.90 120.47 -160.60 -110.95 131.73 3.08 96.92 0.01 2.92 0.10 0.01 0.00 0.00 0.00 96.90 0.06 22 I E E 7.68 24.18 17.81 42.36 119.92 -164.71 -113.84 127.95 1.84 98.16 0.00 1.86 0.04 0.00 0.00 0.00 0.00 98.07 0.04 23 D E E 54.49 9.96 26.48 36.77 118.36 -162.03 -110.93 126.60 1.48 98.52 0.01 1.42 0.04 0.00 0.00 0.00 0.00 98.50 0.03 24 M E E 7.19 24.93 17.97 43.19 124.40 -170.20 -118.60 135.85 2.43 97.55 0.02 2.44 0.05 0.01 0.01 0.00 0.00 97.42 0.08 25 A E E 35.15 10.98 25.70 36.88 130.47 -174.11 -127.20 147.06 6.51 93.46 0.03 6.23 0.28 0.03 0.01 0.01 0.00 93.09 0.35 26 S E E 11.54 19.40 15.67 35.33 139.02 165.14 -148.57 159.67 29.27 70.66 0.07 28.15 1.06 0.09 0.02 0.04 0.00 68.85 1.79 27 L C S 104.14 6.03 19.99 26.93 94.39 -134.21 -81.49 -18.28 99.34 0.63 0.03 3.51 95.49 0.54 0.01 0.01 0.00 0.39 0.05 28 E C C 91.47 6.04 18.57 25.69 110.44 78.92 -96.29 112.52 98.67 1.17 0.16 59.80 38.62 0.45 0.09 0.06 0.00 0.44 0.55 29 E H H 86.98 12.90 13.62 26.97 93.27 -160.19 -61.59 -37.78 2.21 0.00 97.79 0.35 0.31 1.34 96.64 1.35 0.00 0.00 0.00 30 K H H 142.48 1.51 20.49 20.95 92.11 54.28 -64.05 -40.64 1.24 0.00 98.75 0.10 0.09 0.98 97.41 1.42 0.00 0.00 0.00 31 Q H H 58.92 8.77 18.61 28.48 92.12 48.53 -66.25 -40.32 0.61 0.00 99.39 0.07 0.04 0.42 97.91 1.55 0.00 0.00 0.00 32 I H H 6.41 23.73 14.22 38.14 91.19 51.58 -63.09 -43.49 0.18 0.00 99.82 0.03 0.01 0.09 99.76 0.11 0.00 0.00 0.00 33 N H H 63.91 9.96 21.81 31.94 91.41 51.19 -62.92 -41.59 0.13 0.00 99.87 0.01 0.00 0.07 99.89 0.03 0.00 0.00 0.00 34 K H H 110.01 2.62 25.44 26.90 91.54 49.99 -64.29 -41.99 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 35 V H H 14.03 17.43 20.87 38.61 91.66 49.18 -63.87 -43.39 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 36 C H H 5.96 23.33 19.00 42.19 91.24 50.52 -63.57 -42.30 0.16 0.00 99.84 0.01 0.00 0.10 99.87 0.02 0.00 0.00 0.00 37 R H H 117.93 5.52 24.20 30.11 91.42 51.93 -63.35 -41.70 0.14 0.00 99.86 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 38 E H H 76.33 6.36 23.74 30.44 91.60 50.01 -64.59 -41.72 0.17 0.00 99.83 0.01 0.00 0.12 99.84 0.03 0.00 0.00 0.00 39 F H H 11.27 22.56 19.23 41.59 91.89 49.44 -64.02 -43.31 0.23 0.00 99.77 0.02 0.01 0.16 99.76 0.06 0.00 0.00 0.00 40 Y H H 45.04 17.19 19.89 36.45 91.86 49.84 -63.51 -42.12 0.46 0.00 99.54 0.05 0.02 0.30 99.49 0.13 0.00 0.00 0.00 41 E H H 107.35 2.66 23.75 25.31 91.85 49.70 -64.92 -41.07 1.78 0.00 98.21 0.16 0.10 1.36 98.05 0.33 0.00 0.00 0.00 42 Y H H 68.85 9.23 19.52 29.79 92.60 48.20 -67.51 -38.89 5.07 0.02 94.91 0.38 0.33 4.09 94.45 0.73 0.01 0.00 0.01 43 G H H 6.09 20.38 12.58 33.00 92.43 53.83 -66.00 -34.76 14.11 0.09 85.81 2.18 1.47 10.22 83.98 2.05 0.03 0.03 0.05 44 K H H 115.56 6.94 16.91 24.84 92.69 55.75 -67.66 -31.70 30.32 0.25 69.43 3.69 3.07 23.51 65.01 4.37 0.09 0.11 0.14 45 T H H 92.51 2.46 17.51 19.76 96.51 49.97 -81.17 -26.12 41.83 0.34 57.83 4.75 5.38 31.35 54.31 3.81 0.07 0.15 0.19 46 F C H 93.30 9.45 14.00 24.17 103.19 39.79 -95.88 -17.35 64.32 1.14 34.55 14.01 21.46 29.42 30.11 3.77 0.08 0.42 0.73 47 I C C 83.16 9.76 13.92 24.21 104.65 45.78 -89.38 30.10 87.73 2.02 10.25 42.39 17.37 28.67 5.43 4.24 0.00 1.13 0.75 48 D C C 75.45 9.43 13.88 23.94 104.00 115.00 -82.39 16.96 86.69 5.80 7.51 52.99 23.94 10.25 1.54 5.78 0.00 4.63 0.87 49 D C C 88.90 5.24 18.37 24.32 107.75 60.02 -93.12 79.02 54.83 37.30 7.87 41.56 7.35 6.33 1.70 5.85 0.01 35.64 1.57 50 L E E 37.82 19.47 9.87 28.00 113.35 146.44 -90.07 122.22 25.88 72.69 1.43 23.58 1.57 0.50 0.88 0.69 0.00 64.94 7.84 51 Q E E 115.58 4.20 17.91 23.04 101.65 -165.53 -91.53 -24.00 37.65 61.42 0.92 25.98 11.17 2.07 0.25 0.67 0.00 58.49 1.37 52 R E E 122.46 3.47 20.58 24.22 137.09 -1.30 -145.38 161.85 47.28 52.39 0.33 10.54 34.18 2.31 0.04 0.26 0.00 52.21 0.45 53 E E E 91.56 12.59 15.98 28.51 114.90 -89.12 -69.70 141.37 47.84 52.01 0.15 44.13 2.10 0.21 0.03 0.11 0.00 53.00 0.43 54 T E E 27.54 16.20 15.84 32.59 124.82 -162.28 -122.43 137.43 12.99 86.97 0.04 12.27 0.50 0.04 0.02 0.02 0.00 83.87 3.28 55 V E E 77.39 8.13 22.43 31.03 115.67 -137.85 -94.53 129.36 16.37 83.62 0.01 15.81 0.53 0.02 0.01 0.01 0.00 80.12 3.50 56 L C C 27.21 20.87 13.87 34.20 119.28 -150.13 -97.48 137.70 69.16 30.83 0.01 66.71 1.93 0.03 0.00 0.01 0.00 30.92 0.39 57 P C C 37.76 12.14 17.09 30.36 114.83 -105.80 -66.06 148.72 74.63 25.31 0.05 72.73 1.58 0.14 0.01 0.05 0.00 24.86 0.64 58 K C C 127.94 6.71 17.30 25.22 97.64 -143.63 -83.40 -19.99 70.68 29.23 0.09 35.67 34.77 0.75 0.01 0.09 0.00 28.04 0.67 59 K E E 102.84 5.65 18.58 25.23 128.85 42.74 -124.45 146.94 17.27 82.67 0.06 12.37 4.63 0.29 0.01 0.05 0.00 82.39 0.26 60 V E E 63.07 13.06 14.77 28.16 121.11 -149.58 -112.46 131.30 3.42 96.56 0.01 3.12 0.17 0.01 0.00 0.01 0.00 96.63 0.07 61 E E E 55.64 12.60 15.86 29.45 121.98 -162.80 -110.73 136.34 0.87 99.13 0.00 0.78 0.03 0.00 0.00 0.00 0.00 99.18 0.02 62 S E E 53.66 8.28 19.19 28.45 121.46 -158.77 -112.27 135.17 0.66 99.33 0.00 0.57 0.02 0.00 0.00 0.00 0.00 99.40 0.01 63 I E E 32.31 16.86 14.41 31.66 121.94 -165.70 -117.69 131.83 1.32 98.68 0.00 1.22 0.04 0.00 0.00 0.00 0.00 98.72 0.02 64 T E E 52.92 8.06 20.22 29.14 125.10 -165.73 -113.04 145.37 3.63 96.35 0.01 3.27 0.16 0.02 0.00 0.00 0.00 96.49 0.06 65 T E E 35.88 15.55 14.85 30.60 124.85 -159.42 -116.27 140.72 6.26 93.70 0.04 5.62 0.44 0.06 0.01 0.01 0.00 93.58 0.27 66 L E E 66.44 9.37 16.42 27.00 119.76 -145.39 -102.39 137.06 13.31 86.63 0.07 11.64 1.59 0.17 0.02 0.04 0.00 85.62 0.92 67 R E E 127.36 6.99 15.44 23.75 114.58 -138.76 -91.95 132.59 46.01 53.83 0.16 38.32 6.82 0.53 0.05 0.14 0.00 51.44 2.70 68 N C C 51.51 9.80 10.93 22.23 115.47 -113.54 -86.42 139.86 90.36 9.44 0.20 83.43 6.01 0.74 0.05 0.16 0.00 8.39 1.22 69 P C T 97.30 3.82 12.26 17.76 92.48 -135.43 -65.47 -20.52 94.98 1.19 3.82 7.28 23.68 63.64 0.25 3.96 0.00 0.84 0.34 70 S C T 75.08 3.12 11.32 15.56 96.23 57.33 -88.33 -3.18 93.88 1.21 4.91 4.12 24.07 65.59 0.35 4.65 0.00 0.69 0.53 71 G C S 49.14 3.72 10.28 15.68 100.52 -106.52 81.97 6.78 89.00 3.53 7.47 18.77 49.31 20.75 0.76 6.92 0.00 1.90 1.59 72 Q C T 124.63 2.33 10.61 14.35 107.20 123.53 -89.04 95.52 86.86 4.31 8.83 23.09 26.90 37.23 1.12 7.69 0.01 2.39 1.55 73 G C T 54.40 2.43 11.50 14.89 102.09 -7.80 84.64 -0.28 84.19 6.26 9.56 22.94 28.59 33.40 1.04 8.53 0.01 3.73 1.76 74 T C C 82.07 4.18 10.62 16.50 113.40 108.65 -93.03 138.42 82.45 8.83 8.71 38.42 26.75 17.86 0.97 8.10 0.01 6.12 1.78 75 K C C 136.91 4.49 12.29 18.42 103.30 -116.20 -80.62 64.89 78.95 16.04 5.01 49.79 16.55 12.39 0.52 4.86 0.00 14.55 1.31 76 K C C 111.06 5.55 13.49 20.68 122.03 126.16 -107.06 141.72 55.40 43.81 0.79 45.19 8.31 1.62 0.18 0.71 0.00 41.87 2.13 77 W E E 102.97 12.32 11.34 24.12 119.91 -140.56 -102.14 140.74 19.37 80.54 0.09 17.25 1.57 0.23 0.03 0.07 0.00 77.64 3.20 78 S E E 47.50 7.83 16.14 25.27 120.57 -145.26 -99.69 147.02 14.87 85.11 0.03 12.24 1.81 0.15 0.00 0.02 0.00 85.39 0.39 79 R E E 121.58 9.22 15.35 25.64 122.41 -130.89 -112.84 136.89 8.72 91.27 0.01 7.69 0.63 0.03 0.00 0.01 0.00 91.45 0.18 80 Y E E 49.72 14.20 14.46 29.70 127.17 -172.38 -124.87 144.89 3.52 96.48 0.00 3.28 0.11 0.00 0.00 0.00 0.00 96.51 0.10 81 K E E 109.43 7.14 19.13 27.36 118.80 -139.51 -102.79 134.00 2.03 97.97 0.00 1.83 0.06 0.00 0.00 0.00 0.00 98.08 0.03 82 M E E 31.31 17.98 14.73 32.65 131.99 -170.38 -131.32 151.61 1.70 98.30 0.00 1.52 0.04 0.00 0.00 0.00 0.00 98.42 0.02 83 I E E 52.58 9.93 20.96 32.11 116.38 -129.55 -101.42 128.68 0.86 99.14 0.00 0.79 0.02 0.00 0.00 0.00 0.00 99.18 0.01 84 V E E 21.94 17.91 17.72 36.02 119.65 -162.55 -110.96 128.73 1.00 99.00 0.00 0.91 0.03 0.00 0.00 0.00 0.00 99.04 0.02 85 H E E 36.71 13.59 20.54 35.09 120.24 -163.95 -111.30 132.04 2.86 97.14 0.00 2.57 0.11 0.00 0.00 0.00 0.00 97.27 0.04 86 L E E 47.28 14.73 20.98 35.59 122.25 -161.26 -112.54 134.66 7.20 92.79 0.00 6.45 0.36 0.01 0.00 0.00 0.00 93.12 0.06 87 R E E 37.13 17.79 19.30 36.87 125.18 -170.03 -120.14 138.27 4.22 95.77 0.00 3.94 0.15 0.01 0.00 0.00 0.00 95.84 0.07 88 N E E 42.40 12.64 23.02 36.07 119.46 -155.06 -111.71 130.13 1.41 98.59 0.00 1.29 0.06 0.00 0.00 0.00 0.00 98.61 0.04 89 F E E 12.70 22.28 18.63 41.00 124.06 -168.92 -119.62 134.17 0.45 99.55 0.00 0.44 0.01 0.00 0.00 0.00 0.00 99.54 0.02 90 Y E E 74.13 10.39 25.45 36.28 117.36 -158.69 -108.39 125.52 0.91 99.09 0.00 0.86 0.02 0.00 0.00 0.00 0.00 99.09 0.02 91 L E E 8.15 23.95 16.48 40.68 121.76 -168.08 -114.82 131.10 7.75 92.16 0.09 7.32 0.39 0.07 0.03 0.04 0.00 91.83 0.31 92 E E E 93.50 7.06 25.08 32.47 113.33 -156.62 -103.89 118.35 31.74 68.16 0.11 25.41 5.81 0.47 0.03 0.09 0.00 67.10 1.11 93 A C C 15.08 19.92 13.49 32.87 134.81 147.10 -136.45 158.41 79.09 20.77 0.15 59.54 19.04 0.48 0.05 0.10 0.00 19.92 0.87 94 T C C 59.33 4.90 20.58 25.68 116.46 -98.51 -71.43 153.43 95.23 4.26 0.52 94.32 1.32 0.24 0.35 0.09 0.00 3.07 0.62 95 H H H 112.60 8.59 14.29 24.00 92.33 -110.95 -59.36 -37.23 5.14 0.03 94.83 1.13 1.02 2.95 93.73 1.14 0.01 0.01 0.01 96 Q H H 120.77 1.62 19.59 20.08 91.97 54.54 -64.40 -39.64 3.44 0.02 96.54 0.56 0.39 2.41 95.26 1.35 0.01 0.01 0.01 97 Q H H 44.01 12.40 17.06 30.24 92.44 49.02 -66.55 -40.63 1.53 0.01 98.46 0.35 0.15 0.94 97.17 1.37 0.00 0.01 0.00 98 L H H 13.42 21.22 14.47 35.52 91.54 51.96 -63.03 -42.55 0.45 0.00 99.55 0.10 0.04 0.23 99.40 0.23 0.00 0.00 0.00 99 E H H 100.87 4.59 21.48 26.40 91.51 51.62 -63.73 -40.33 0.43 0.00 99.57 0.06 0.02 0.24 99.56 0.11 0.00 0.00 0.00 100 K H H 99.27 4.84 21.96 26.82 91.75 50.57 -65.04 -41.10 0.55 0.00 99.45 0.08 0.03 0.33 99.44 0.12 0.00 0.00 0.00 101 V H H 8.85 21.96 17.50 39.48 92.06 49.40 -64.65 -42.75 0.73 0.01 99.27 0.15 0.05 0.40 99.25 0.15 0.00 0.00 0.00 102 V H H 30.36 16.37 18.52 34.72 91.85 51.08 -63.89 -40.50 0.89 0.01 99.10 0.20 0.07 0.50 98.92 0.30 0.00 0.01 0.00 103 Q H H 103.27 2.43 22.14 23.54 91.91 51.91 -64.69 -39.30 2.32 0.02 97.66 0.33 0.16 1.70 96.81 0.99 0.00 0.01 0.00 104 F H H 65.61 11.11 18.23 30.09 92.30 49.88 -67.40 -37.13 5.04 0.03 94.93 0.51 0.34 4.02 93.66 1.43 0.01 0.02 0.01 105 L H H 14.79 22.00 12.60 34.01 93.25 53.74 -72.34 -28.76 14.18 0.19 85.63 3.36 1.66 8.95 83.16 2.66 0.03 0.09 0.08 106 R H H 144.12 5.65 17.04 24.17 92.17 65.71 -65.96 -25.87 42.86 0.52 56.62 10.15 3.39 28.14 54.67 3.12 0.02 0.25 0.26 107 N C T 114.60 2.29 17.76 20.00 93.37 55.10 -81.72 -9.19 71.79 0.43 27.77 23.01 6.47 40.80 26.32 2.97 0.00 0.20 0.24 108 F C C 43.25 17.82 9.25 26.40 112.14 87.46 -97.71 115.59 98.75 0.60 0.66 70.51 26.42 1.84 0.42 0.21 0.00 0.24 0.35 109 P C T 92.44 3.44 18.15 22.18 107.70 -129.43 -68.50 136.25 98.68 0.67 0.65 25.40 14.91 58.50 0.14 0.46 0.00 0.46 0.13 110 H C T 112.52 7.37 17.61 25.74 96.22 19.03 53.66 20.22 94.59 4.89 0.53 18.29 15.86 60.26 0.05 0.52 0.00 4.79 0.23 111 V E E 14.47 22.58 10.70 32.83 121.51 111.97 -107.78 133.53 33.78 66.13 0.10 29.24 3.55 0.29 0.02 0.07 0.00 66.19 0.63 112 E E E 98.75 5.02 24.97 30.30 119.13 -162.12 -112.14 129.13 7.16 92.79 0.05 6.88 0.24 0.03 0.02 0.02 0.00 92.64 0.17 113 I E E 28.59 23.27 13.09 35.54 123.29 -167.82 -120.86 131.63 3.87 96.10 0.03 3.76 0.12 0.02 0.01 0.01 0.00 96.03 0.05 114 N E E 79.28 5.51 25.35 31.10 122.33 -170.49 -120.55 132.43 2.85 97.12 0.03 2.65 0.12 0.02 0.01 0.01 0.00 97.17 0.03 115 L E E 35.40 22.38 13.50 34.78 126.36 -168.38 -124.05 136.93 2.65 97.34 0.02 2.61 0.06 0.01 0.01 0.00 0.00 97.28 0.03 116 S E E 46.37 6.61 23.46 30.52 131.54 -174.50 -133.08 152.12 2.76 97.22 0.03 2.60 0.10 0.02 0.01 0.01 0.00 97.21 0.06 117 I E E 60.50 16.43 13.41 29.44 119.36 -141.40 -109.90 130.44 8.38 91.56 0.06 7.80 0.41 0.07 0.03 0.02 0.00 91.29 0.38 118 Q E E 87.09 7.48 14.03 22.95 121.48 -164.32 -111.13 141.55 45.32 54.54 0.14 42.70 1.24 0.33 0.04 0.09 0.00 54.94 0.66 119 N C C 122.63 2.83 15.87 19.91 107.06 -111.68 -76.69 110.86 99.51 0.48 0.01 99.34 0.20 0.05 0.00 0.00 0.00 0.40 0.01