# 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 T C C 63.23 9.14 20.77 30.12 122.90 -137.98 -108.82 139.89 99.39 0.61 0.00 99.41 0.09 0.01 0.00 0.00 0.00 0.48 0.01 1 Y E E 26.40 20.70 14.14 34.53 128.52 -171.45 -125.85 143.10 14.14 85.84 0.01 13.67 0.30 0.03 0.00 0.01 0.00 85.60 0.39 2 H E E 81.64 7.53 24.08 32.00 119.05 -147.77 -106.48 132.78 3.18 96.82 0.00 2.87 0.12 0.01 0.00 0.00 0.00 96.96 0.04 3 L E E 6.00 24.98 15.46 41.02 123.45 -165.90 -115.88 135.74 1.09 98.91 0.00 1.00 0.03 0.00 0.00 0.00 0.00 98.96 0.01 4 D E E 38.38 9.84 26.35 37.07 119.80 -161.07 -112.42 130.41 0.37 99.63 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.66 0.00 5 V E E 6.50 23.56 19.15 43.19 117.21 -156.83 -107.04 124.79 0.44 99.56 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.61 0.00 6 V E E 25.38 12.07 21.97 35.42 126.11 -173.11 -122.12 141.82 2.14 97.85 0.02 1.82 0.15 0.02 0.01 0.00 0.00 97.93 0.06 7 S E E 19.17 13.63 17.12 31.60 128.00 -163.34 -110.37 169.68 43.54 56.41 0.06 40.16 1.41 0.14 0.01 0.03 0.00 57.99 0.25 8 A C T 58.84 10.09 14.79 25.44 92.87 -94.30 -62.79 -29.93 98.09 0.97 0.94 5.62 42.40 50.23 0.08 0.77 0.00 0.77 0.13 9 E C T 144.63 1.73 15.80 17.19 100.61 30.61 -99.16 -13.25 98.52 0.51 0.97 7.33 42.52 48.75 0.09 0.85 0.00 0.36 0.10 10 Q C E 107.08 3.72 16.16 21.00 131.46 -10.75 -150.37 152.93 59.67 39.81 0.52 38.85 15.34 4.40 0.08 0.50 0.00 40.17 0.66 11 Q E E 99.31 9.53 13.28 23.79 110.76 -120.13 -78.83 123.89 11.18 88.78 0.04 10.02 0.59 0.09 0.01 0.02 0.00 89.07 0.19 12 M E E 68.02 11.23 15.94 28.15 101.70 176.37 -96.03 -32.49 2.93 97.06 0.01 1.83 0.60 0.07 0.00 0.01 0.00 97.46 0.03 13 F E E 46.33 13.31 17.67 32.19 139.35 1.41 -153.38 149.60 0.43 99.56 0.00 0.31 0.03 0.00 0.00 0.00 0.00 99.64 0.01 14 S E E 54.09 12.23 17.30 30.44 133.19 -174.98 -142.69 146.35 0.97 99.03 0.00 0.78 0.06 0.00 0.00 0.00 0.00 99.14 0.01 15 G E E 19.17 7.64 22.08 31.44 143.82 106.14 171.74 -176.92 3.78 96.21 0.00 2.78 0.62 0.02 0.00 0.00 0.00 96.54 0.02 16 L E E 75.33 9.05 23.18 32.40 118.35 -61.73 -92.68 138.43 7.58 92.41 0.00 6.72 0.48 0.02 0.00 0.00 0.00 92.68 0.10 17 V E E 6.62 24.54 13.40 38.23 123.98 -163.33 -114.57 140.94 12.79 87.19 0.03 12.79 0.26 0.03 0.01 0.01 0.00 86.59 0.32 18 E E E 94.91 6.35 23.84 30.70 98.65 -168.93 -87.22 -30.24 28.95 71.00 0.05 10.85 17.59 0.52 0.00 0.05 0.00 70.86 0.14 19 K E E 77.36 8.72 24.98 34.29 138.61 5.13 -152.17 147.85 6.19 93.78 0.03 4.51 1.23 0.11 0.00 0.02 0.00 94.06 0.06 20 I E E 5.50 25.73 16.33 42.69 123.75 -162.45 -126.26 131.89 1.16 98.83 0.01 1.03 0.05 0.00 0.00 0.00 0.00 98.89 0.02 21 Q E E 62.52 8.89 26.98 36.51 119.05 -160.62 -112.06 128.91 0.44 99.56 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.58 0.01 22 V E E 7.35 23.90 16.03 40.23 127.63 -173.46 -126.10 142.65 0.87 99.12 0.00 0.76 0.03 0.00 0.00 0.00 0.00 99.19 0.01 23 T E E 61.03 6.87 23.35 30.74 118.05 -138.39 -101.96 133.19 3.79 96.20 0.01 3.26 0.27 0.02 0.00 0.01 0.00 96.30 0.15 24 G E E 13.19 16.81 11.77 28.41 133.71 170.79 -127.02 -177.72 27.47 72.46 0.07 24.26 2.60 0.27 0.01 0.06 0.00 71.94 0.86 25 S C T 88.64 2.58 16.38 19.67 91.83 -85.98 -66.95 -26.29 99.43 0.35 0.22 0.70 25.64 73.15 0.00 0.21 0.00 0.26 0.04 26 E C T 140.09 2.20 15.01 17.69 100.08 36.52 -99.72 1.19 99.54 0.27 0.19 0.65 23.68 75.25 0.00 0.18 0.00 0.19 0.03 27 G E E 27.80 4.19 18.24 23.56 138.01 -71.39 130.15 -171.27 26.25 73.67 0.08 14.94 11.65 0.82 0.01 0.08 0.00 71.96 0.55 28 E E E 101.30 9.03 17.06 26.98 118.97 -38.13 -94.26 137.66 6.42 93.54 0.04 5.64 0.51 0.06 0.01 0.02 0.00 93.51 0.25 29 L E E 32.74 17.53 16.84 34.42 129.02 -171.20 -127.35 142.24 2.43 97.54 0.03 2.11 0.16 0.03 0.01 0.01 0.00 97.55 0.13 30 G E E 14.55 13.21 23.35 36.57 136.01 -172.74 -130.00 163.50 8.40 91.55 0.05 6.90 1.06 0.12 0.02 0.02 0.00 91.63 0.24 31 I E E 23.69 21.62 16.92 38.01 119.17 -128.37 -112.11 126.41 26.26 73.66 0.08 22.20 3.60 0.21 0.04 0.06 0.00 69.64 4.26 32 Y C C 84.35 9.60 19.53 29.79 126.06 -167.93 -115.15 143.45 91.22 8.71 0.07 82.36 9.04 0.33 0.02 0.06 0.00 6.59 1.61 33 P C T 86.14 7.21 15.46 23.92 109.68 -89.24 -59.72 136.61 98.58 0.83 0.59 1.04 4.56 93.10 0.04 0.50 0.00 0.60 0.16 34 G C T 60.94 1.54 16.82 17.92 95.75 19.03 83.46 -1.97 99.29 0.31 0.41 1.25 4.50 93.55 0.02 0.39 0.00 0.23 0.05 35 H C C 72.07 12.40 11.44 24.30 126.44 107.54 -105.52 153.90 85.80 13.70 0.50 65.80 18.70 1.10 0.16 0.40 0.00 5.58 8.25 36 A C C 63.22 5.18 18.30 24.07 119.14 -104.81 -84.69 149.97 91.64 7.98 0.39 70.41 20.38 1.25 0.10 0.32 0.00 5.97 1.56 37 P C C 71.83 10.59 16.12 27.16 113.35 -87.38 -67.06 143.31 92.38 7.14 0.48 75.21 14.49 2.37 0.08 0.47 0.00 6.63 0.76 38 L E E 49.40 15.11 16.10 31.35 124.50 -166.48 -117.93 138.98 40.09 58.51 1.39 32.86 6.16 1.31 0.49 0.99 0.00 54.66 3.52 39 L E E 82.51 10.41 20.16 31.01 120.58 -149.69 -109.68 131.70 19.74 79.71 0.55 16.53 3.02 0.58 0.15 0.38 0.00 78.20 1.14 40 T E E 24.18 18.02 17.76 35.67 133.73 173.86 -136.67 151.89 12.15 87.67 0.17 10.65 1.18 0.24 0.04 0.11 0.00 87.50 0.29 41 A E E 42.97 9.94 24.66 34.94 118.67 -126.61 -97.86 135.49 6.58 93.34 0.08 5.95 0.51 0.10 0.03 0.05 0.00 92.56 0.80 42 I E E 5.95 25.73 14.53 41.18 118.09 -151.80 -106.04 130.83 10.92 89.05 0.03 10.59 0.36 0.04 0.01 0.02 0.00 85.44 3.55 43 K C E 102.84 5.83 25.11 31.36 121.61 -148.30 -93.78 147.91 54.02 45.95 0.04 43.33 8.77 0.26 0.00 0.04 0.00 47.25 0.35 44 P C E 59.98 11.92 19.26 31.15 114.34 -78.76 -64.07 144.39 61.18 38.78 0.04 23.08 34.51 1.12 0.00 0.05 0.00 41.04 0.20 45 G E E 13.28 9.66 21.76 33.45 142.57 106.12 160.15 -173.91 9.19 90.79 0.02 7.34 1.43 0.14 0.00 0.02 0.00 90.90 0.16 46 M E E 64.72 9.72 24.08 34.49 119.32 -57.11 -99.65 136.22 0.92 99.07 0.00 0.87 0.02 0.00 0.00 0.00 0.00 99.08 0.02 47 I E E 3.84 25.81 16.53 43.30 123.25 -164.12 -116.37 135.71 0.22 99.78 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.80 0.00 48 R E E 70.61 9.68 26.79 37.30 117.02 -150.62 -107.38 127.61 0.08 99.92 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 49 I E E 5.61 24.17 17.49 42.39 119.62 -161.77 -110.52 129.16 0.13 99.87 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.88 0.00 50 V E E 30.98 9.62 20.97 32.63 118.63 -160.44 -112.60 127.67 0.75 99.25 0.00 0.69 0.02 0.00 0.00 0.00 0.00 99.24 0.05 51 K C C 52.53 11.58 13.60 26.46 122.62 -147.32 -85.68 164.76 62.94 36.96 0.10 61.49 0.74 0.14 0.02 0.06 0.00 37.00 0.55 52 Q C T 119.39 5.83 12.63 19.96 93.06 -99.87 -62.34 -26.44 94.28 3.24 2.47 2.33 6.56 85.28 0.08 2.60 0.00 2.87 0.28 53 H C T 152.55 1.02 12.86 13.33 94.85 53.26 -85.68 5.60 97.13 0.34 2.53 1.16 5.08 90.59 0.09 2.79 0.00 0.23 0.07 54 G C S 52.14 2.81 11.99 16.12 97.35 -98.98 87.31 4.62 97.71 0.69 1.60 19.59 71.91 6.14 0.12 1.59 0.00 0.43 0.22 55 H C C 107.01 3.50 12.86 18.20 117.35 136.17 -82.74 141.39 96.27 3.66 0.06 94.17 2.10 0.27 0.01 0.04 0.00 3.13 0.29 56 E E E 106.09 9.53 12.84 23.79 122.32 -150.19 -112.41 137.53 7.66 92.32 0.02 7.14 0.34 0.03 0.00 0.01 0.00 92.24 0.24 57 E E E 64.32 11.09 17.05 29.23 129.03 -176.03 -131.20 143.86 1.09 98.90 0.00 0.90 0.06 0.01 0.00 0.00 0.00 99.02 0.01 58 F E E 91.33 11.57 20.19 32.00 119.07 -140.08 -103.88 131.32 0.47 99.53 0.00 0.38 0.02 0.00 0.00 0.00 0.00 99.59 0.00 59 I E E 14.02 21.00 18.42 39.58 125.50 -173.33 -124.82 136.99 0.31 99.69 0.00 0.26 0.01 0.00 0.00 0.00 0.00 99.74 0.00 60 Y E E 69.99 11.70 26.07 38.31 115.82 -137.52 -94.75 130.49 0.45 99.55 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.61 0.01 61 L E E 4.13 26.01 17.87 44.58 115.55 -162.69 -110.52 120.87 5.86 94.14 0.00 5.57 0.13 0.01 0.00 0.00 0.00 94.15 0.14 62 S E E 38.37 10.72 25.36 36.16 121.41 -175.46 -107.01 146.24 22.95 76.99 0.06 10.13 9.87 2.34 0.00 0.07 0.00 77.34 0.24 63 G E E 26.36 8.84 25.14 34.50 112.56 -3.04 83.96 107.43 40.95 59.01 0.04 5.40 30.77 2.95 0.00 0.04 0.00 60.68 0.15 64 G E E 9.11 18.01 20.78 38.24 136.42 120.69 134.38 -172.11 24.62 75.37 0.01 21.41 1.80 0.08 0.00 0.01 0.00 76.58 0.12 65 I E E 46.41 11.88 26.89 39.71 125.93 -87.17 -123.48 140.20 0.84 99.16 0.00 0.78 0.02 0.00 0.00 0.00 0.00 99.11 0.09 66 L E E 4.30 26.33 18.69 45.59 120.66 -160.24 -112.04 130.29 0.22 99.78 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.78 0.00 67 E E E 61.38 9.55 28.14 38.51 120.46 -167.50 -116.36 128.96 0.16 99.84 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.86 0.00 68 V E E 16.66 23.26 15.36 38.36 118.17 -161.29 -110.77 123.14 1.18 98.82 0.00 0.97 0.09 0.01 0.00 0.00 0.00 98.91 0.02 69 Q E E 80.53 5.17 22.33 27.95 130.08 167.55 -134.79 151.23 16.09 83.89 0.02 13.08 1.74 0.22 0.00 0.02 0.00 84.74 0.20 70 P C T 94.93 5.31 17.95 24.53 106.38 -65.49 -58.11 128.69 99.59 0.25 0.16 0.51 7.87 91.26 0.00 0.16 0.00 0.17 0.02 71 G C T 39.09 9.14 17.32 26.84 96.24 5.04 85.75 -1.23 99.70 0.16 0.14 0.65 8.08 90.99 0.00 0.14 0.00 0.12 0.01 72 N E E 62.92 8.59 21.71 31.06 134.29 76.96 -133.15 152.33 8.01 91.97 0.01 6.10 1.38 0.12 0.00 0.01 0.00 92.20 0.20 73 V E E 10.85 24.67 14.86 39.73 125.22 -164.87 -126.40 134.32 1.03 98.97 0.00 0.92 0.02 0.00 0.00 0.00 0.00 99.05 0.01 74 T E E 38.94 10.19 27.59 38.62 122.27 -166.82 -117.33 132.96 0.16 99.84 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 75 V E E 5.43 25.62 19.22 45.40 118.52 -161.70 -112.91 126.26 0.08 99.92 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 76 L E E 44.10 11.34 27.37 39.13 119.59 -167.02 -112.81 130.21 0.55 99.45 0.00 0.49 0.01 0.00 0.00 0.00 0.00 99.49 0.01 77 A E E 6.81 24.11 15.83 39.76 129.81 -173.57 -124.72 147.37 6.66 93.33 0.01 6.30 0.17 0.01 0.00 0.00 0.00 93.46 0.06 78 D E E 77.83 6.73 23.51 30.75 96.54 -144.53 -78.77 -29.36 32.66 67.33 0.01 6.69 24.54 0.42 0.00 0.01 0.00 68.28 0.07 79 T E E 47.43 9.24 24.42 34.16 136.13 7.72 -146.65 148.19 13.99 85.99 0.01 10.33 2.65 0.11 0.00 0.01 0.00 86.82 0.08 80 A E E 22.33 22.17 16.73 37.73 128.63 -167.62 -129.28 139.04 4.39 95.61 0.00 4.14 0.16 0.00 0.00 0.00 0.00 95.61 0.08 81 I E E 32.15 12.73 21.68 35.57 129.57 -174.06 -129.31 142.46 1.25 98.75 0.00 1.18 0.04 0.00 0.00 0.00 0.00 98.46 0.31 82 R E E 90.49 9.09 22.40 31.67 115.97 -119.83 -78.60 141.18 17.04 82.94 0.02 16.99 0.34 0.02 0.01 0.01 0.00 82.17 0.46 83 G H G 14.76 19.88 13.06 32.04 93.28 -114.06 -57.58 -37.82 18.13 0.33 81.54 2.18 2.16 11.79 1.05 82.53 0.00 0.25 0.03 84 Q H G 136.83 2.17 18.80 21.26 91.73 56.18 -71.85 -20.84 17.01 0.12 82.86 0.64 1.25 13.28 1.11 83.62 0.00 0.08 0.01 85 D H G 98.06 3.31 17.77 21.50 96.46 53.85 -93.58 2.04 17.63 0.19 82.18 2.15 2.23 10.86 1.27 83.36 0.00 0.11 0.03 86 L C C 32.52 21.05 8.13 27.00 112.33 108.58 -77.96 131.84 97.70 0.67 1.62 69.65 27.27 0.78 0.95 0.48 0.00 0.15 0.71 87 D C C 85.93 3.58 19.04 22.63 112.54 -135.49 -93.64 125.67 99.06 0.22 0.72 97.58 1.31 0.23 0.62 0.06 0.00 0.05 0.15 88 E H H 116.53 7.06 13.70 22.37 93.89 -136.57 -61.62 -37.21 3.55 0.01 96.43 0.93 0.68 1.67 96.24 0.47 0.00 0.00 0.00 89 A H H 70.76 1.59 18.22 18.54 92.40 52.24 -64.45 -41.51 2.10 0.01 97.90 0.43 0.22 1.23 97.45 0.67 0.00 0.00 0.00 90 R H H 102.47 6.65 17.61 25.22 92.32 48.00 -66.75 -39.85 1.13 0.01 98.85 0.40 0.12 0.54 98.29 0.65 0.00 0.01 0.00 91 A H H 10.98 17.45 12.77 30.82 91.66 51.86 -63.13 -42.63 0.79 0.01 99.20 0.30 0.08 0.32 99.07 0.22 0.00 0.00 0.00 92 M H H 92.88 3.36 21.14 24.25 91.87 50.02 -63.89 -41.73 0.77 0.01 99.22 0.27 0.06 0.31 99.28 0.07 0.00 0.00 0.00 93 E H H 100.73 2.26 21.75 22.65 91.56 49.63 -64.45 -41.77 0.70 0.00 99.30 0.19 0.05 0.33 99.37 0.05 0.00 0.00 0.00 94 A H H 13.59 13.78 14.98 30.36 91.78 50.91 -63.91 -41.94 0.95 0.00 99.05 0.30 0.08 0.42 99.11 0.07 0.00 0.00 0.00 95 K H H 85.30 9.42 17.42 27.57 91.76 51.28 -63.77 -41.08 1.04 0.00 98.95 0.28 0.08 0.53 98.99 0.11 0.00 0.00 0.00 96 R H H 138.76 1.59 18.62 18.89 92.16 50.15 -64.57 -41.08 1.76 0.01 98.23 0.44 0.14 0.97 98.23 0.21 0.00 0.00 0.00 97 K H H 111.69 3.50 15.98 20.29 92.31 49.64 -66.13 -38.81 3.65 0.02 96.33 0.75 0.31 2.24 96.28 0.41 0.00 0.00 0.00 98 A H H 37.32 12.00 10.54 23.22 92.79 52.59 -68.07 -33.06 11.88 0.03 88.09 1.64 0.87 8.32 88.56 0.57 0.00 0.01 0.02 99 E H H 135.79 2.39 13.18 16.53 94.46 54.08 -75.16 -22.05 40.63 0.12 59.26 11.67 1.14 24.55 61.84 0.69 0.00 0.03 0.08 100 E C C 136.23 2.31 13.57 16.77 101.71 73.82 -78.06 9.05 99.83 0.02 0.16 99.32 0.17 0.34 0.15 0.01 0.00 0.01 0.00