# 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 67.16 15.38 14.10 28.83 116.33 -157.36 -92.35 141.10 99.82 0.13 0.06 99.73 0.10 0.06 0.03 0.00 0.00 0.05 0.02 1 S C C 45.23 9.88 13.17 24.08 112.02 -121.86 -78.72 143.87 91.46 0.79 7.75 90.27 0.66 1.95 5.43 0.94 0.00 0.28 0.46 2 A H G 73.90 3.75 14.62 19.50 95.03 -122.82 -65.96 -29.47 31.58 0.62 67.79 9.79 4.97 16.42 30.53 37.63 0.03 0.33 0.29 3 T H G 62.96 8.19 15.67 24.92 94.11 61.33 -70.52 -24.34 27.59 0.34 72.06 4.46 3.30 17.97 32.28 41.61 0.03 0.19 0.16 4 L H G 10.84 23.41 10.87 33.31 94.67 56.89 -78.75 -18.69 16.72 0.20 83.07 3.80 2.11 9.54 37.01 47.34 0.01 0.12 0.07 5 K H G 116.62 7.73 16.48 25.67 92.13 78.90 -60.95 -33.29 10.19 0.11 89.71 1.80 1.02 6.49 34.32 56.26 0.00 0.07 0.03 6 D H G 104.33 2.45 20.52 22.83 91.13 60.16 -70.64 -18.56 17.98 0.08 81.94 0.96 1.14 14.86 23.36 59.60 0.00 0.05 0.03 7 Y H G 27.92 19.15 14.21 33.54 97.33 49.95 -98.44 -4.41 28.05 0.28 71.67 2.13 2.00 22.50 14.25 58.81 0.01 0.17 0.15 8 L C T 46.17 16.28 14.29 30.79 112.96 116.77 -66.20 134.03 95.80 1.32 2.88 1.33 2.43 93.01 0.94 0.99 0.00 0.61 0.69 9 N C T 104.24 4.83 21.40 27.14 92.30 11.53 69.03 15.79 98.97 0.49 0.54 0.58 3.28 95.34 0.05 0.29 0.00 0.41 0.04 10 K C C 79.75 10.13 19.24 30.00 128.70 114.29 -106.88 154.90 96.18 3.76 0.06 48.55 47.25 0.48 0.01 0.05 0.00 3.46 0.20 11 R E E 111.04 9.55 22.51 32.29 113.81 -114.14 -81.42 132.31 7.11 92.88 0.01 7.23 0.16 0.01 0.00 0.00 0.00 91.20 1.39 12 V E E 3.91 24.86 16.54 42.09 131.56 -173.45 -130.05 151.64 0.71 99.29 0.00 0.68 0.01 0.00 0.00 0.00 0.00 99.29 0.01 13 V E E 27.85 12.23 26.34 39.68 116.30 -136.18 -102.33 127.86 0.09 99.91 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 14 I E E 3.56 25.49 20.09 46.37 118.18 -162.26 -110.76 126.23 0.03 99.97 0.00 0.03 0.00 0.00 0.00 0.00 0.00 99.97 0.00 15 I E E 33.72 11.55 24.39 37.17 115.41 -157.11 -107.97 122.01 0.14 99.86 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.87 0.00 16 K E E 22.46 17.92 15.39 33.72 124.44 -150.67 -87.81 166.29 31.77 68.20 0.03 32.44 0.36 0.03 0.00 0.02 0.00 66.44 0.71 17 V C T 88.59 8.91 15.87 25.81 90.50 -103.41 -62.77 -23.67 98.58 0.59 0.82 0.30 2.67 95.82 0.01 0.71 0.00 0.43 0.05 18 D C T 94.83 3.41 16.97 21.17 92.17 59.12 -85.16 0.28 99.10 0.09 0.81 0.18 2.59 96.39 0.01 0.75 0.00 0.05 0.02 19 G C S 38.61 6.22 16.38 23.90 97.84 -101.61 89.76 5.65 98.79 0.51 0.70 12.88 83.74 2.35 0.03 0.57 0.00 0.28 0.14 20 E C C 61.72 10.60 16.82 28.82 118.32 137.37 -77.74 144.80 86.20 13.78 0.02 86.42 0.59 0.05 0.00 0.01 0.00 12.35 0.58 21 C E E 37.75 14.94 19.81 34.89 126.73 -159.19 -121.55 139.78 0.45 99.55 0.00 0.42 0.02 0.00 0.00 0.00 0.00 99.54 0.03 22 L E E 10.59 21.65 20.50 42.00 125.37 -167.67 -122.72 136.32 0.04 99.96 0.00 0.03 0.00 0.00 0.00 0.00 0.00 99.96 0.00 23 I E E 44.66 12.98 26.03 39.23 118.98 -156.54 -110.50 127.52 0.04 99.96 0.00 0.03 0.00 0.00 0.00 0.00 0.00 99.97 0.00 24 A E E 4.43 21.88 20.99 42.80 141.43 155.39 -150.26 167.34 0.15 99.85 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.87 0.00 25 S E E 28.42 10.75 26.79 38.78 120.41 -103.83 -106.02 135.96 0.45 99.55 0.00 0.38 0.01 0.00 0.00 0.00 0.00 99.60 0.00 26 L E E 5.78 25.23 16.21 42.50 110.12 -120.62 -77.61 126.09 1.83 98.15 0.01 1.64 0.07 0.01 0.00 0.00 0.00 98.23 0.03 27 N E E 68.87 8.10 24.69 33.34 101.14 175.55 -101.04 -20.99 4.60 95.34 0.06 3.67 0.67 0.10 0.02 0.03 0.00 95.41 0.10 28 G E E 15.68 9.81 24.22 35.07 146.27 -37.63 159.59 171.09 7.86 92.07 0.08 5.79 1.84 0.23 0.02 0.05 0.00 91.87 0.21 29 F E E 55.72 19.51 14.18 32.90 134.18 -132.88 -142.35 152.77 11.07 88.83 0.10 9.25 1.67 0.20 0.05 0.06 0.00 85.77 3.01 30 D C C 57.63 7.39 17.91 26.18 126.97 -145.76 -104.45 173.42 79.48 20.30 0.22 69.20 5.72 3.60 0.05 0.20 0.00 19.67 1.55 31 K C T 161.18 2.43 15.94 19.48 92.17 -87.55 -64.75 -19.65 99.43 0.16 0.41 0.37 7.89 91.21 0.02 0.37 0.00 0.09 0.04 32 N C T 93.18 5.35 17.27 23.29 96.72 50.05 -93.62 -0.99 99.46 0.11 0.44 0.54 8.44 90.48 0.02 0.43 0.00 0.06 0.03 33 T C S 39.72 15.75 16.68 31.87 96.72 -110.16 72.13 22.36 89.33 9.96 0.72 34.22 45.99 9.30 0.10 0.76 0.00 7.84 1.79 34 N C C 35.55 11.84 21.86 34.58 117.97 149.82 -79.03 142.76 78.86 21.03 0.11 67.67 8.01 1.61 0.02 0.10 0.00 21.66 0.93 35 L E E 7.52 24.25 18.74 43.33 117.69 -137.50 -103.06 129.51 3.28 96.70 0.02 3.11 0.17 0.02 0.00 0.01 0.00 96.39 0.29 36 F E E 40.47 12.41 26.63 39.77 120.94 -164.34 -115.13 129.88 0.23 99.77 0.00 0.22 0.01 0.00 0.00 0.00 0.00 99.75 0.02 37 I E E 7.09 24.40 17.80 42.71 115.81 -158.22 -104.61 123.86 0.37 99.62 0.01 0.36 0.01 0.00 0.00 0.00 0.00 99.61 0.01 38 T E E 48.82 9.06 23.36 32.69 123.94 -170.72 -121.23 155.79 4.49 95.36 0.15 3.05 0.97 0.22 0.02 0.09 0.00 95.62 0.04 39 N E E 86.60 5.56 24.11 30.00 99.56 7.65 59.34 62.01 5.61 94.27 0.13 3.80 1.11 0.23 0.02 0.08 0.00 94.72 0.05 40 V E E 20.48 22.11 13.65 35.15 119.86 -165.80 -98.11 135.27 4.45 95.48 0.07 4.11 0.24 0.04 0.02 0.02 0.00 95.46 0.11 41 F E E 72.00 8.80 22.47 32.03 124.53 -171.62 -124.52 136.69 4.13 95.79 0.08 3.60 0.39 0.08 0.03 0.04 0.00 95.47 0.38 42 N E E 50.82 13.50 15.72 29.79 117.31 -147.58 -101.49 130.59 15.11 84.71 0.18 11.90 2.08 0.50 0.05 0.11 0.00 85.06 0.30 43 R E E 96.69 8.62 14.70 24.67 114.17 -160.11 -102.64 119.90 39.60 59.76 0.64 28.57 7.96 2.73 0.16 0.44 0.00 59.51 0.63 44 I C C 90.54 7.39 11.57 20.23 111.71 -156.10 -100.00 109.94 64.29 34.68 1.03 44.03 12.01 6.70 0.25 0.75 0.00 35.22 1.04 45 S C C 80.52 2.96 12.25 16.15 107.92 2.65 -97.44 53.54 87.72 11.27 1.01 65.50 11.23 9.12 0.23 0.74 0.00 12.61 0.55 46 K C C 132.41 3.26 11.36 16.11 119.64 41.24 -109.59 144.37 89.57 9.55 0.88 68.98 10.94 8.04 0.19 0.69 0.00 10.72 0.44 47 E C C 127.91 4.34 11.83 17.97 114.10 -113.87 -89.26 129.22 71.62 27.88 0.51 60.53 5.42 2.72 0.10 0.39 0.00 30.31 0.53 48 F E E 87.68 9.83 12.11 23.26 121.24 -166.56 -111.70 134.20 36.13 63.63 0.24 32.02 2.33 0.50 0.06 0.15 0.00 64.21 0.72 49 I E E 83.79 7.93 16.27 25.41 115.16 -138.04 -94.20 127.79 19.70 80.09 0.20 17.56 1.37 0.30 0.07 0.11 0.00 79.81 0.78 50 C E E 41.50 14.58 14.45 29.11 116.30 -172.30 -107.15 136.86 19.74 79.94 0.32 15.78 2.85 0.74 0.09 0.19 0.00 79.93 0.41 51 K E E 73.49 10.21 20.06 30.79 130.53 -148.00 -134.64 153.51 17.61 82.04 0.35 12.18 4.27 0.95 0.08 0.21 0.00 82.08 0.23 52 A E E 37.31 16.49 17.32 33.26 125.06 -142.86 -117.24 136.57 8.29 91.52 0.20 6.72 1.11 0.22 0.05 0.08 0.00 91.73 0.09 53 Q E E 44.46 14.53 20.38 35.24 128.45 -172.35 -127.59 139.59 1.40 98.55 0.05 1.30 0.09 0.02 0.02 0.01 0.00 98.53 0.04 54 L E E 61.81 12.90 22.08 34.99 116.03 -143.17 -98.66 125.36 0.62 99.37 0.01 0.60 0.02 0.00 0.00 0.00 0.00 99.34 0.03 55 L E E 16.20 20.54 17.24 37.97 125.74 -172.29 -120.80 139.99 2.73 97.25 0.02 2.57 0.09 0.01 0.01 0.00 0.00 97.17 0.14 56 R E E 103.01 7.20 23.70 31.16 114.40 -120.48 -77.18 136.43 35.16 64.65 0.19 32.92 1.63 0.18 0.05 0.11 0.00 64.68 0.43 57 G H G 17.56 19.41 14.94 33.47 93.13 -123.10 -59.65 -36.98 16.95 2.46 80.59 2.83 3.86 9.77 0.72 80.54 0.00 2.17 0.10 58 S H G 75.04 4.46 22.02 27.28 91.00 63.20 -72.66 -16.28 16.37 2.49 81.14 1.60 2.87 10.84 0.60 81.64 0.00 2.36 0.09 59 E H G 64.01 12.90 18.52 31.86 96.41 55.55 -95.39 -2.29 15.92 4.58 79.49 3.45 2.92 9.20 0.72 79.13 0.00 4.47 0.10 60 I E E 17.26 23.10 14.06 36.96 115.37 94.42 -90.19 127.54 3.82 96.12 0.05 3.58 0.29 0.04 0.02 0.02 0.00 95.64 0.41 61 A E E 42.00 10.63 22.72 33.37 102.43 176.13 -98.86 -32.70 1.87 98.10 0.03 1.48 0.24 0.03 0.01 0.01 0.00 98.21 0.03 62 L E E 62.73 10.91 23.92 34.82 134.12 -1.84 -144.00 143.50 0.58 99.40 0.02 0.49 0.04 0.01 0.00 0.00 0.00 99.44 0.02 63 V E E 30.96 21.78 16.76 37.48 125.04 -165.87 -125.12 130.93 2.21 97.73 0.07 1.82 0.21 0.05 0.02 0.02 0.00 97.81 0.07 64 G E E 19.15 9.70 23.18 33.60 144.15 141.27 -162.11 176.54 15.40 84.45 0.15 10.53 4.25 0.51 0.03 0.10 0.00 84.37 0.22 65 L E E 79.56 10.18 19.99 30.31 114.27 -67.94 -72.30 139.39 29.84 69.62 0.54 26.47 2.82 0.53 0.21 0.32 0.00 68.17 1.48 66 I C C 44.00 17.50 12.81 29.87 114.20 -140.34 -92.49 128.93 75.75 20.33 3.91 61.06 9.68 4.27 1.55 2.35 0.00 18.39 2.71 67 D C C 78.12 6.03 16.87 23.74 113.08 -150.25 -98.07 124.14 86.55 7.38 6.07 65.83 13.06 7.49 2.39 3.72 0.00 5.47 2.04 68 A C C 65.51 7.85 12.11 21.16 99.07 -150.98 -74.38 -15.31 73.98 2.29 23.73 32.91 16.76 25.24 8.38 14.35 0.01 1.16 1.17 69 E C C 139.01 2.22 13.94 16.86 99.30 65.22 -78.37 -15.36 76.22 1.64 22.14 33.13 15.69 27.99 8.25 13.19 0.01 0.80 0.96 70 N C C 80.71 7.79 11.04 20.04 103.15 62.78 -90.93 19.34 78.89 1.57 19.55 48.82 15.39 14.83 7.94 11.33 0.00 0.74 0.95 71 D C C 75.76 8.72 11.11 20.78 105.20 118.13 -85.38 33.23 78.46 1.32 20.22 54.64 11.11 12.51 9.62 10.66 0.00 0.64 0.81 72 D C C 106.18 3.80 13.58 18.81 98.70 80.76 -80.60 -2.81 71.87 1.49 26.64 34.47 14.15 23.92 9.89 15.96 0.01 0.70 0.90 73 S C C 71.94 4.58 13.93 19.78 100.97 75.70 -83.93 -3.17 72.78 2.26 24.96 35.00 15.65 23.08 8.83 15.11 0.01 1.09 1.22 74 L C C 64.72 12.88 11.21 24.06 105.30 85.81 -88.26 45.96 78.10 3.64 18.26 43.32 23.14 11.98 8.50 9.23 0.01 1.58 2.24 75 A C C 50.41 8.15 14.56 23.89 114.36 111.93 -86.31 134.55 90.52 2.28 7.20 58.29 27.29 5.09 4.17 2.84 0.00 1.02 1.30 76 P C C 73.31 7.69 14.50 23.24 101.99 -107.56 -69.13 -4.15 74.54 2.54 22.92 44.03 11.50 19.06 9.79 13.01 0.00 1.51 1.09 77 I C C 79.32 10.44 11.97 22.91 104.02 80.70 -82.51 15.04 66.41 6.57 27.02 34.63 12.96 19.53 11.57 14.92 0.06 3.94 2.39 78 D C C 92.70 4.81 14.76 20.63 104.39 62.47 -87.09 36.09 66.13 8.04 25.83 38.90 12.88 14.60 11.79 14.02 0.05 5.18 2.59 79 E C C 96.01 9.42 10.86 20.98 104.31 101.16 -82.82 19.11 68.03 8.25 23.72 38.49 14.04 15.87 12.32 11.29 0.05 5.30 2.64 80 K C C 136.63 4.05 13.26 18.71 102.00 99.99 -79.04 -1.40 76.34 5.80 17.86 33.25 19.12 24.86 9.26 8.00 0.05 3.66 1.81 81 K C C 137.74 3.95 14.69 19.83 104.84 53.78 -89.30 41.18 80.35 6.38 13.27 37.12 22.83 21.42 5.99 6.67 0.03 4.10 1.85 82 V C C 50.44 13.92 10.58 24.66 117.60 112.62 -99.77 131.15 86.33 7.60 6.07 58.57 25.74 2.63 4.25 1.92 0.00 4.80 2.09 83 P C C 66.12 7.06 16.89 25.14 112.13 -113.56 -67.52 147.82 79.62 8.88 11.50 71.92 4.14 3.80 5.88 5.16 0.00 7.39 1.70 84 M C C 94.37 10.21 16.47 26.97 111.35 -117.62 -81.28 131.93 60.87 19.68 19.45 41.30 11.52 8.01 9.64 10.51 0.09 13.41 5.53 85 L C C 46.70 17.20 11.42 27.88 110.42 -134.61 -86.81 120.72 56.51 18.12 25.37 39.32 9.27 8.29 10.01 15.65 0.07 13.34 4.05 86 K C C 130.33 4.78 17.26 23.12 106.48 -157.30 -87.61 43.96 64.72 12.16 23.12 35.11 13.11 17.60 7.36 15.29 0.05 9.36 2.10 87 D C C 89.64 5.81 17.06 23.65 110.01 14.51 -97.17 108.32 68.95 10.63 20.41 36.52 14.15 19.58 5.92 13.98 0.06 7.51 2.28 88 T C C 44.71 15.92 10.23 25.37 111.38 145.27 -93.86 117.93 75.96 12.97 11.07 60.08 9.55 5.63 6.26 5.22 0.01 8.78 4.48 89 K C C 130.07 4.81 16.28 22.13 99.51 -160.60 -81.63 -12.39 73.44 10.64 15.92 37.82 20.42 15.88 10.12 5.90 0.09 6.99 2.77 90 N C C 79.31 8.64 14.14 23.71 104.68 61.38 -94.32 64.98 76.02 8.47 15.51 34.72 25.10 17.20 9.33 5.94 0.08 5.54 2.08 91 K C C 108.23 8.53 14.62 24.14 110.03 115.71 -89.07 112.96 74.50 9.12 16.38 55.96 10.62 7.15 11.98 5.20 0.01 6.29 2.79 92 I C C 58.95 13.51 11.30 24.93 111.81 -153.07 -96.38 127.11 71.07 5.93 23.00 56.45 7.87 5.92 19.15 4.87 0.01 3.62 2.12 93 E C H 133.80 2.96 16.16 19.73 99.61 -129.60 -71.74 -25.91 67.03 2.02 30.95 25.75 15.79 25.29 25.83 5.42 0.05 1.14 0.73 94 N C C 81.99 7.00 16.19 23.96 100.73 34.47 -80.70 29.98 66.76 1.32 31.92 31.52 10.10 24.99 27.66 4.48 0.02 0.62 0.63 95 E H H 57.67 15.73 13.93 29.18 94.84 124.63 -65.80 -34.57 13.99 0.22 85.80 8.58 2.41 3.56 83.84 1.45 0.00 0.10 0.07 96 H H H 88.39 8.06 18.06 26.79 93.07 54.41 -66.01 -39.43 3.92 0.14 95.94 1.93 0.55 1.52 95.19 0.70 0.00 0.08 0.03 97 V H H 65.74 4.43 20.17 24.98 92.44 51.03 -65.18 -41.62 1.68 0.19 98.13 0.87 0.24 0.66 97.56 0.48 0.00 0.16 0.02 98 I H H 29.87 12.83 17.89 31.83 92.08 50.60 -63.99 -43.61 0.72 0.09 99.20 0.34 0.08 0.27 99.05 0.17 0.00 0.07 0.01 99 W H H 51.05 15.13 17.63 32.98 92.26 49.72 -64.58 -41.88 0.39 0.02 99.59 0.14 0.04 0.17 99.54 0.09 0.00 0.01 0.00 100 E H H 90.74 4.68 20.18 25.30 91.79 51.53 -63.60 -41.57 0.39 0.01 99.60 0.11 0.03 0.20 99.57 0.08 0.00 0.01 0.00 101 K H H 98.98 4.25 20.08 24.53 92.10 49.82 -64.78 -41.48 0.61 0.01 99.37 0.15 0.05 0.36 99.31 0.12 0.00 0.01 0.00 102 V H H 27.68 13.13 15.83 30.07 92.08 49.31 -64.70 -42.62 1.14 0.02 98.84 0.24 0.09 0.71 98.75 0.19 0.00 0.01 0.00 103 Y H H 81.56 8.36 15.45 25.22 92.16 49.66 -65.10 -39.94 2.96 0.03 97.00 0.66 0.28 1.87 96.71 0.47 0.00 0.02 0.01 104 E H H 114.58 2.03 16.15 18.03 92.42 52.16 -66.46 -36.09 8.06 0.04 91.90 1.16 0.64 5.82 91.47 0.86 0.01 0.02 0.02 105 S H H 59.98 4.67 12.12 18.31 93.90 54.52 -72.05 -28.66 20.30 0.10 79.60 2.96 2.10 14.59 78.90 1.33 0.02 0.04 0.06 106 K H H 119.77 5.52 10.25 17.17 97.07 59.62 -77.55 -18.73 42.37 0.91 56.73 12.29 7.69 23.23 53.98 1.95 0.06 0.34 0.47 107 T C C 98.32 2.55 9.65 13.70 102.22 67.50 -83.00 3.47 70.92 0.94 28.15 45.21 1.70 21.64 29.07 1.49 0.00 0.42 0.48 108 K C C 150.00 2.38 11.08 14.94 106.07 79.41 -83.15 80.65 99.93 0.04 0.03 99.85 0.06 0.05 0.02 0.00 0.00 0.02 0.00