# 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 110.30 6.22 12.11 19.49 113.85 -153.10 -92.29 130.27 99.67 0.21 0.13 99.64 0.08 0.07 0.08 0.01 0.00 0.09 0.03 1 A C C 72.80 4.37 9.86 15.72 111.90 -140.70 -89.21 122.96 69.79 8.62 21.59 63.25 1.77 5.08 17.55 3.58 0.00 6.70 2.07 2 L C C 114.29 3.66 9.02 14.35 109.93 -137.22 -89.05 112.58 54.44 14.35 31.21 36.14 9.01 9.15 23.54 8.28 0.05 11.83 1.98 3 H C C 129.72 3.66 9.93 15.18 109.82 -147.96 -90.84 103.80 46.62 19.13 34.26 30.14 8.41 8.41 24.92 9.88 0.08 16.19 1.97 4 Y C H 139.31 5.07 10.22 16.84 110.76 -150.06 -93.48 118.96 40.55 22.31 37.14 26.69 7.22 7.31 28.04 9.45 0.10 19.11 2.06 5 F C H 120.00 5.88 10.26 17.69 112.67 -151.92 -94.84 123.14 40.21 22.40 37.39 27.47 6.39 6.54 30.41 7.38 0.08 19.63 2.10 6 L C H 99.41 5.45 11.23 18.20 110.90 -153.37 -91.73 119.77 40.26 19.83 39.90 25.26 7.45 7.97 33.42 6.58 0.11 17.23 1.98 7 Q C H 113.38 4.71 12.01 18.03 106.76 -154.52 -83.93 70.68 44.70 14.89 40.40 24.77 9.39 10.73 34.26 6.16 0.12 13.07 1.50 8 Y C H 130.43 5.94 11.73 19.05 105.52 100.50 -85.03 16.54 47.02 11.53 41.46 27.74 9.83 9.59 36.41 5.13 0.10 9.74 1.46 9 D H H 86.30 5.34 13.77 20.21 102.23 69.49 -79.00 -7.14 41.92 6.61 51.47 29.06 6.51 6.60 47.56 3.73 0.02 5.61 0.92 10 V H H 75.52 6.98 13.14 21.35 97.65 72.68 -70.84 -34.97 24.92 4.41 70.67 14.81 4.46 7.06 63.44 5.54 0.05 3.96 0.68 11 Q H H 95.72 6.55 15.03 22.48 96.59 58.03 -68.57 -36.39 22.52 4.40 73.08 13.37 3.69 6.68 65.64 5.84 0.05 4.10 0.63 12 I H H 82.54 6.81 15.22 23.02 95.92 53.87 -69.26 -37.90 17.87 4.56 77.57 10.84 2.85 5.12 70.65 5.56 0.04 4.33 0.61 13 L H H 86.13 5.94 16.10 22.89 95.66 53.27 -68.53 -37.87 17.14 4.21 78.65 9.64 2.73 5.43 72.71 5.01 0.05 3.84 0.59 14 C H H 61.01 6.84 15.93 23.75 95.47 52.86 -68.86 -38.44 19.72 4.14 76.14 10.07 2.81 7.08 71.14 4.51 0.05 3.81 0.54 15 I H H 77.84 7.84 15.90 24.65 95.19 52.61 -68.30 -39.61 14.40 3.42 82.18 7.56 2.47 5.01 77.15 4.19 0.06 3.07 0.50 16 A H H 53.06 6.45 15.92 23.34 94.11 53.20 -66.35 -39.31 11.16 2.46 86.38 6.45 1.87 3.55 80.87 4.66 0.03 2.24 0.34 17 L H H 89.63 5.35 16.59 22.66 94.04 51.21 -68.71 -36.25 12.10 2.36 85.53 5.74 1.79 4.93 79.48 5.55 0.04 2.13 0.34 18 M H H 86.88 7.68 15.40 23.96 94.75 51.32 -72.26 -30.84 14.52 1.89 83.59 5.65 2.06 7.05 77.63 5.61 0.06 1.58 0.35 19 F H H 98.38 8.57 14.49 23.87 96.55 57.03 -77.80 -25.87 18.53 2.09 79.38 7.74 3.17 8.49 73.70 4.74 0.09 1.57 0.50 20 S H H 61.36 5.11 15.67 21.72 95.61 60.47 -67.48 -37.07 21.52 2.46 76.02 10.84 3.70 7.97 69.68 5.24 0.06 2.07 0.44 21 I H H 90.14 5.76 15.97 22.59 94.53 51.85 -70.10 -34.63 21.07 3.44 75.49 9.93 3.28 8.56 68.82 5.70 0.08 3.12 0.51 22 F H H 78.64 11.40 13.70 25.60 95.98 52.87 -77.38 -29.89 18.87 4.35 76.78 10.27 3.12 6.56 69.30 6.06 0.07 4.01 0.60 23 R H H 123.27 7.06 15.57 23.58 94.96 58.70 -66.15 -37.13 18.17 5.74 76.09 11.02 3.03 5.54 68.80 5.49 0.07 5.36 0.70 24 V H H 84.15 4.68 16.33 21.56 97.52 52.04 -72.50 -32.83 19.73 6.44 73.84 10.91 3.16 6.56 66.93 5.44 0.08 6.18 0.74 25 C H H 57.74 8.65 14.31 24.03 99.48 52.38 -78.92 -24.56 26.63 6.22 67.16 15.01 4.56 8.62 60.08 5.29 0.09 5.38 0.97 26 I H H 75.45 10.55 12.83 23.96 104.88 60.19 -84.70 7.61 33.97 6.37 59.67 19.12 6.24 10.32 53.70 4.36 0.10 4.94 1.22 27 S C H 69.51 5.15 14.26 20.59 104.89 65.68 -85.62 8.30 49.55 3.80 46.65 25.05 9.17 15.85 42.39 4.04 0.06 2.53 0.91 28 T C H 83.09 5.23 13.33 19.90 108.85 80.70 -90.67 93.09 60.41 3.95 35.64 29.68 13.72 17.15 31.15 4.72 0.06 2.45 1.07 29 A C C 64.64 6.84 12.52 20.67 107.75 -133.50 -83.68 103.05 64.69 5.99 29.32 40.36 11.47 12.33 24.44 5.74 0.04 4.08 1.53 30 I C C 85.50 9.22 11.54 21.75 110.72 102.20 -92.71 110.63 64.82 8.21 26.98 40.49 12.28 11.63 21.39 6.39 0.07 5.66 2.09 31 D C C 88.94 5.17 14.01 20.44 108.00 -143.48 -93.35 96.30 73.34 6.56 20.10 51.59 9.38 11.41 15.65 5.40 0.01 4.71 1.85 32 F C C 111.33 9.35 10.66 20.80 103.29 144.93 -86.43 15.81 80.10 3.90 15.99 43.50 15.95 20.73 11.63 4.48 0.01 2.38 1.33 33 T C C 98.90 2.94 13.39 17.34 101.77 83.47 -90.45 -1.11 87.75 2.31 9.94 42.82 25.27 19.95 6.45 3.29 0.00 1.15 1.06 34 S C C 51.02 6.39 10.17 18.48 116.38 101.33 -91.69 139.11 94.67 1.02 4.32 59.86 31.61 3.21 3.16 1.17 0.00 0.41 0.58 35 P C C 87.68 4.33 11.55 17.54 104.24 -115.92 -65.13 132.23 74.41 0.79 24.80 42.24 11.22 20.90 16.69 8.13 0.00 0.41 0.42 36 K C C 130.38 3.60 12.62 17.40 105.04 -89.25 -78.75 60.95 65.88 2.11 32.01 40.08 9.23 16.71 22.48 9.39 0.01 1.13 0.97 37 L C H 82.86 7.95 10.64 19.77 99.81 80.65 -74.32 -26.28 49.91 1.96 48.13 32.93 9.32 8.49 38.40 9.08 0.02 1.02 0.74 38 D H H 91.08 3.58 13.94 18.50 97.85 59.89 -71.88 -32.07 47.56 1.88 50.57 32.86 7.49 8.05 43.37 6.55 0.01 1.05 0.62 39 E H H 108.39 4.08 14.44 19.50 95.75 57.53 -69.83 -35.06 36.49 1.73 61.77 25.56 6.10 6.46 54.50 5.86 0.01 0.99 0.52 40 F H H 84.60 9.41 12.90 23.35 94.15 55.67 -68.08 -37.69 27.30 1.01 71.70 19.26 4.75 4.85 66.25 4.05 0.01 0.54 0.29 41 S H H 54.60 5.42 15.15 21.80 93.57 55.42 -66.33 -39.02 24.65 0.98 74.37 17.99 3.50 4.60 69.33 3.73 0.01 0.59 0.25 42 L H H 90.73 3.28 16.84 20.54 93.08 52.00 -66.37 -39.09 19.20 1.18 79.62 12.90 3.28 4.63 73.80 4.34 0.01 0.76 0.28 43 I H H 66.48 8.73 15.77 25.68 93.04 50.89 -67.19 -39.54 19.39 1.43 79.18 13.10 3.23 4.61 74.06 3.72 0.01 0.92 0.34 44 M H H 61.51 12.35 14.97 27.68 93.38 51.40 -68.41 -37.50 25.92 1.17 72.91 18.06 3.85 5.16 69.34 2.61 0.01 0.65 0.32 45 E H H 105.16 4.01 18.78 23.18 93.58 55.01 -66.23 -39.47 32.35 0.59 67.06 23.94 3.69 4.40 65.96 1.55 0.00 0.27 0.17 46 M H H 95.49 3.97 20.05 24.12 93.22 50.00 -66.29 -39.38 14.12 0.20 85.68 8.15 1.96 3.85 84.54 1.35 0.00 0.08 0.07 47 G H H 9.35 16.99 16.01 33.27 93.14 51.61 -64.66 -41.64 10.47 0.13 89.40 5.31 1.30 3.74 88.11 1.43 0.00 0.06 0.05 48 E H H 66.54 13.40 18.34 31.59 92.27 52.12 -63.87 -40.88 5.23 0.10 94.67 2.85 0.65 1.87 93.26 1.28 0.00 0.05 0.03 49 I H H 93.08 2.69 22.48 24.15 91.84 50.55 -64.57 -41.69 2.58 0.07 97.36 1.25 0.31 1.07 95.90 1.40 0.00 0.04 0.02 50 L H H 54.72 9.96 20.06 30.73 92.15 50.02 -64.85 -41.77 2.37 0.06 97.57 0.80 0.25 1.27 95.51 2.12 0.00 0.04 0.02 51 L H H 6.94 24.52 15.05 39.54 91.79 50.39 -64.19 -41.30 2.24 0.02 97.74 0.51 0.20 1.36 94.70 3.21 0.00 0.01 0.01 52 T H H 68.43 9.92 19.90 30.05 91.33 53.39 -64.35 -35.14 4.23 0.02 95.75 0.38 0.23 3.24 89.13 7.00 0.01 0.01 0.01 53 S H H 71.02 3.28 22.34 25.41 91.47 57.33 -69.93 -24.30 21.92 0.03 78.05 0.40 0.54 21.39 70.98 6.64 0.02 0.01 0.02 54 W C T 36.03 18.34 15.88 34.45 96.92 47.69 -96.38 -6.76 51.37 0.09 48.55 1.30 1.42 48.78 42.15 6.24 0.01 0.03 0.06 55 L C T 43.07 17.32 14.29 31.68 112.54 118.97 -64.88 133.53 96.70 0.69 2.62 0.85 1.63 94.97 1.18 0.64 0.00 0.21 0.52 56 N C T 101.41 5.59 21.10 27.60 92.32 11.11 69.14 16.04 99.23 0.17 0.60 0.34 2.36 96.80 0.09 0.28 0.00 0.10 0.02 57 R C S 97.80 8.35 19.83 29.15 130.21 110.12 -113.80 156.46 96.73 3.16 0.12 30.99 65.18 0.69 0.02 0.07 0.00 2.83 0.23 58 S E E 50.57 9.83 21.75 31.84 114.92 -109.61 -79.13 135.82 16.20 83.78 0.02 16.20 0.33 0.03 0.01 0.01 0.00 82.54 0.88 59 V E E 5.87 23.93 15.87 40.17 132.27 -175.16 -130.95 150.79 2.32 97.68 0.00 2.27 0.04 0.00 0.00 0.00 0.00 97.62 0.06 60 H E E 54.67 10.39 25.93 37.18 116.96 -136.42 -104.98 127.12 0.29 99.70 0.00 0.28 0.00 0.00 0.00 0.00 0.00 99.70 0.01 61 I E E 4.24 25.13 17.98 43.96 119.64 -164.50 -112.20 127.01 0.15 99.85 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 62 E E E 57.22 8.88 24.44 34.20 114.62 -155.16 -104.38 122.23 0.64 99.35 0.00 0.60 0.01 0.00 0.00 0.00 0.00 99.37 0.01 63 I E E 13.86 19.95 13.10 33.20 123.27 -159.56 -93.36 163.14 22.26 77.60 0.14 20.68 1.00 0.18 0.02 0.09 0.00 77.59 0.44 64 F C T 116.14 7.75 16.50 25.11 93.68 -100.89 -64.87 -25.69 86.19 6.65 7.16 3.60 7.95 74.46 0.23 7.32 0.00 5.95 0.49 65 D C T 84.83 5.15 15.32 21.76 94.24 52.58 -86.82 6.50 92.94 0.27 6.79 1.77 7.03 83.39 0.19 7.38 0.00 0.15 0.09 66 E C S 129.64 4.35 16.73 22.28 94.28 -102.96 74.10 15.06 93.64 0.67 5.69 13.12 54.84 24.97 0.28 6.16 0.00 0.39 0.25 67 R C C 73.22 11.94 15.11 28.11 119.33 138.74 -84.79 143.94 70.71 29.22 0.07 68.02 1.37 0.23 0.01 0.04 0.00 29.93 0.41 68 K E E 71.39 12.61 21.00 33.85 122.76 -152.88 -115.13 134.11 0.99 99.01 0.00 0.89 0.03 0.00 0.00 0.00 0.00 99.05 0.02 69 F E E 10.57 22.77 19.44 42.26 122.00 -166.44 -116.05 133.96 0.05 99.95 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.95 0.00 70 I E E 39.04 13.09 26.12 39.52 121.14 -162.78 -115.88 130.04 0.06 99.94 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.94 0.00 71 G E E 4.54 18.65 23.11 41.64 145.57 122.34 -167.60 -176.38 0.32 99.68 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.73 0.00 72 K E E 62.95 11.30 26.90 39.14 123.01 -80.04 -111.39 138.36 0.78 99.22 0.00 0.69 0.02 0.00 0.00 0.00 0.00 99.28 0.01 73 F E E 6.22 25.26 17.34 43.75 110.47 -116.77 -75.11 127.36 2.15 97.84 0.00 2.07 0.06 0.00 0.00 0.00 0.00 97.79 0.07 74 L E E 55.54 10.44 25.32 36.62 101.04 176.26 -99.47 -26.89 6.58 93.41 0.01 5.56 0.84 0.06 0.00 0.01 0.00 93.44 0.09 75 C E E 24.38 12.57 26.16 39.35 144.46 -6.23 -163.04 159.24 5.42 94.58 0.01 4.24 0.93 0.05 0.00 0.01 0.00 94.70 0.07 76 T E E 24.03 22.10 15.88 37.16 132.74 -156.47 -133.29 149.84 4.11 95.88 0.01 3.87 0.24 0.01 0.01 0.00 0.00 91.05 4.81 77 D C C 39.63 11.00 18.54 30.31 125.73 -127.80 -86.45 176.86 92.34 7.64 0.02 92.09 0.73 0.09 0.00 0.01 0.00 6.46 0.62 78 R C T 172.28 3.54 17.23 22.33 91.02 -89.45 -64.14 -21.88 99.74 0.05 0.21 0.17 3.83 95.77 0.01 0.18 0.00 0.03 0.01 79 E C T 111.91 4.78 19.12 24.60 92.87 55.66 -88.61 0.48 99.75 0.04 0.21 0.22 4.27 95.26 0.00 0.22 0.00 0.02 0.01 80 G C S 11.41 16.32 16.73 33.65 95.42 -108.41 81.73 13.04 99.17 0.57 0.26 32.24 65.59 1.38 0.02 0.26 0.00 0.27 0.24 81 A C C 19.40 13.22 22.90 37.29 117.94 145.53 -80.18 143.89 93.82 6.16 0.02 92.49 1.69 0.13 0.00 0.01 0.00 5.00 0.68 82 A E E 2.77 25.23 20.23 46.08 119.23 -138.16 -103.52 132.92 1.02 98.98 0.00 1.04 0.03 0.00 0.00 0.00 0.00 98.69 0.24 83 I E E 25.64 14.16 27.79 42.64 118.27 -161.25 -112.98 126.03 0.11 99.89 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.88 0.01 84 L E E 4.67 25.18 19.09 44.76 117.70 -161.21 -104.78 125.70 0.40 99.60 0.00 0.42 0.01 0.00 0.00 0.00 0.00 99.55 0.02 85 S E E 30.26 10.45 23.96 34.74 127.38 -170.34 -115.82 165.50 5.64 94.34 0.02 3.34 1.61 0.23 0.00 0.02 0.00 94.77 0.03 86 N E E 93.39 5.18 24.54 30.22 95.61 7.65 58.25 48.06 8.65 91.34 0.01 5.15 2.37 0.31 0.00 0.02 0.00 92.13 0.03 87 T E E 8.52 23.40 13.30 36.63 118.36 174.25 -85.72 142.00 4.29 95.70 0.00 4.16 0.09 0.00 0.00 0.00 0.00 95.71 0.03 88 T E E 44.30 9.09 24.45 34.12 126.02 -165.94 -122.49 142.22 0.40 99.60 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.60 0.02 89 E E E 30.55 16.94 16.00 33.32 128.18 -165.86 -127.38 142.22 0.62 99.38 0.00 0.55 0.02 0.00 0.00 0.00 0.00 99.41 0.01 90 Y E E 85.64 9.07 15.80 26.46 117.77 -145.51 -110.51 127.45 5.44 94.54 0.01 4.58 0.43 0.05 0.00 0.01 0.00 94.83 0.10 91 N E E 65.90 8.82 10.56 20.93 121.43 172.11 -133.15 123.15 21.26 78.63 0.10 15.93 3.91 0.88 0.01 0.10 0.00 78.79 0.37 92 K C T 176.92 0.83 12.45 12.78 94.69 -17.08 52.42 43.26 99.48 0.31 0.21 3.35 14.95 81.16 0.01 0.23 0.00 0.26 0.03 93 G C T 66.09 0.70 11.60 11.78 95.75 -46.92 80.11 0.10 99.60 0.20 0.20 3.04 15.27 81.28 0.01 0.22 0.00 0.16 0.02 94 F E E 132.10 2.51 12.15 16.26 122.14 103.21 -111.68 138.53 19.76 80.20 0.03 14.01 5.20 0.29 0.01 0.03 0.00 80.06 0.39 95 S E E 66.72 8.09 10.36 19.98 116.63 -130.38 -86.67 135.09 6.27 93.73 0.00 5.61 0.20 0.01 0.00 0.00 0.00 94.11 0.06 96 R E E 100.84 7.62 15.29 24.55 126.31 -173.78 -128.35 138.87 1.32 98.68 0.00 1.17 0.09 0.01 0.00 0.00 0.00 98.71 0.02 97 A E E 66.01 7.38 16.69 25.46 112.44 -121.68 -81.18 127.17 1.30 98.69 0.00 1.16 0.09 0.01 0.00 0.00 0.00 98.70 0.03 98 L E E 42.84 15.64 15.08 30.79 103.64 174.06 -102.25 -3.72 6.86 93.13 0.01 6.21 0.28 0.02 0.00 0.01 0.00 93.42 0.06 99 G E E 24.88 8.00 21.53 30.15 120.82 -123.14 90.37 -159.23 14.34 85.65 0.01 4.89 8.47 0.22 0.00 0.01 0.00 86.36 0.05 100 L E E 61.67 13.79 20.22 33.68 118.84 -23.47 -105.98 134.73 4.89 95.11 0.00 3.95 0.48 0.02 0.00 0.00 0.00 95.53 0.02 101 V E E 14.87 20.45 20.12 40.34 126.99 -171.07 -125.59 138.60 0.35 99.65 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.67 0.01 102 V E E 39.21 15.32 25.32 40.20 116.26 -152.81 -104.99 124.46 0.22 99.78 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.78 0.01 103 I E E 6.64 23.73 20.13 44.02 119.39 -169.89 -120.23 123.55 4.93 95.07 0.00 4.57 0.10 0.00 0.00 0.00 0.00 95.27 0.06 104 P E E 34.18 9.78 24.80 35.78 112.54 -117.63 -66.94 139.04 36.31 63.57 0.12 34.88 1.27 0.12 0.01 0.10 0.00 63.28 0.33 105 G H G 12.83 21.04 15.26 35.98 92.07 -129.87 -60.29 -33.21 8.07 0.37 91.56 1.46 1.33 4.08 0.48 92.33 0.00 0.31 0.01 106 K H G 139.09 3.18 22.75 26.64 90.26 64.71 -68.31 -19.04 6.76 0.42 92.82 0.60 0.96 4.27 0.39 93.42 0.00 0.35 0.01 107 H H G 49.30 14.82 18.02 33.32 95.24 54.07 -96.54 -3.44 7.68 0.67 91.64 1.22 1.13 4.25 0.39 92.43 0.00 0.58 0.02 108 I E E 11.94 24.41 12.59 37.07 110.67 98.63 -82.21 121.78 3.76 96.20 0.03 3.77 0.19 0.02 0.01 0.01 0.00 95.61 0.39 109 K E E 99.81 6.30 21.81 28.93 100.52 175.69 -96.41 -32.31 3.54 96.45 0.01 2.25 1.21 0.04 0.00 0.00 0.00 96.48 0.02 110 S E E 46.78 5.66 24.55 31.06 142.94 -2.33 -160.30 155.96 0.41 99.58 0.00 0.30 0.03 0.00 0.00 0.00 0.00 99.65 0.00 111 F E E 41.51 23.18 13.26 35.35 128.65 -160.71 -135.50 136.33 0.27 99.72 0.00 0.24 0.01 0.00 0.00 0.00 0.00 99.75 0.00 112 S E E 47.27 6.39 23.89 30.75 130.79 -177.22 -131.46 147.49 1.17 98.82 0.01 0.97 0.06 0.01 0.00 0.00 0.00 98.94 0.02 113 V E E 52.78 17.76 12.23 29.09 121.67 -152.96 -113.89 132.08 9.36 90.60 0.04 8.45 0.47 0.06 0.01 0.02 0.00 90.79 0.19 114 R E E 139.01 4.29 15.75 21.49 119.51 -163.85 -107.00 137.10 48.35 51.58 0.07 46.86 0.59 0.14 0.02 0.04 0.00 51.78 0.57 115 A C C 72.42 5.76 13.91 21.23 114.31 -109.33 -79.12 141.41 99.62 0.37 0.00 99.67 0.05 0.01 0.00 0.00 0.00 0.26 0.01