# 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 L C C 79.02 11.06 16.14 27.46 118.63 -166.73 -108.24 128.28 98.76 1.24 0.00 98.92 0.06 0.01 0.00 0.00 0.00 0.99 0.02 1 L E E 61.96 11.57 14.74 27.36 119.95 -158.16 -106.37 132.45 49.05 50.91 0.04 48.91 0.33 0.06 0.01 0.02 0.00 50.14 0.54 2 K E E 112.29 7.87 16.73 26.10 122.40 -161.30 -113.09 135.78 22.19 77.77 0.04 19.77 1.47 0.11 0.01 0.03 0.00 78.26 0.36 3 F E E 44.35 15.93 15.49 31.82 131.34 -174.32 -131.11 149.05 8.04 91.95 0.02 7.17 0.44 0.03 0.00 0.01 0.00 92.20 0.15 4 T E E 59.22 10.31 21.36 32.26 123.52 -154.28 -119.37 135.11 2.60 97.40 0.01 2.40 0.11 0.01 0.00 0.00 0.00 97.38 0.10 5 L E E 16.06 21.94 16.49 38.35 118.67 -161.66 -112.67 126.13 3.31 96.69 0.00 3.13 0.12 0.01 0.00 0.00 0.00 96.48 0.26 6 D E E 64.50 7.55 24.57 32.54 109.24 -143.20 -93.89 114.01 18.58 81.39 0.03 17.31 1.00 0.06 0.01 0.02 0.00 80.82 0.78 7 C C C 10.99 22.94 14.03 37.22 99.53 -174.14 -98.58 10.73 82.53 15.99 1.48 48.49 21.00 13.15 0.18 1.52 0.00 14.31 1.35 8 T C S 68.61 8.25 19.84 28.78 93.84 100.57 -75.15 -20.27 94.28 5.04 0.68 10.96 67.20 16.18 0.06 0.68 0.00 4.24 0.69 9 H C S 100.36 5.89 19.15 25.80 110.77 43.35 -118.45 86.41 95.07 4.63 0.31 14.05 79.72 1.72 0.05 0.19 0.00 3.37 0.89 10 P C C 47.80 14.03 13.31 27.62 113.01 -155.68 -69.78 143.08 88.07 11.18 0.76 83.36 3.68 0.75 0.34 0.36 0.00 5.18 6.34 11 V C C 47.41 13.52 11.52 25.23 117.48 -128.91 -94.69 152.61 73.01 25.53 1.47 66.60 3.89 0.94 0.74 0.69 0.00 9.95 17.19 12 E C T 153.70 1.68 14.71 16.83 95.52 -100.24 -66.00 -23.02 73.16 20.20 6.64 3.87 11.33 59.91 0.91 5.44 0.13 12.91 5.49 13 D C T 108.68 2.54 14.45 17.62 94.98 46.43 -87.51 10.43 93.32 0.86 5.82 1.20 7.67 84.20 0.31 5.82 0.00 0.48 0.31 14 G C S 44.46 6.34 13.98 21.67 95.43 -101.91 82.41 6.27 93.28 2.53 4.19 7.97 55.78 29.46 0.32 3.95 0.00 1.40 1.10 15 I C S 61.00 11.54 16.25 28.41 99.16 110.98 -84.24 -30.45 75.64 23.70 0.66 36.29 39.14 2.33 0.32 0.38 0.00 11.78 9.75 16 M C C 21.93 19.94 13.68 33.53 128.10 23.89 -127.51 141.69 54.79 44.54 0.67 37.77 16.77 0.84 0.48 0.27 0.01 18.30 25.56 17 D C C 66.04 5.79 23.91 29.64 122.21 -140.89 -90.38 152.43 83.69 15.51 0.80 82.54 1.77 0.36 0.66 0.18 0.00 10.33 4.15 18 A H H 31.02 17.61 14.61 31.95 92.33 -116.99 -60.13 -37.54 7.49 0.12 92.39 2.26 1.10 4.18 88.38 3.94 0.02 0.08 0.04 19 A H H 61.33 3.11 21.68 24.47 91.59 55.31 -63.20 -40.32 4.72 0.05 95.23 0.54 0.40 3.51 90.06 5.43 0.02 0.03 0.01 20 N H H 61.82 7.94 20.57 29.09 92.00 49.78 -66.25 -39.25 3.54 0.06 96.40 0.71 0.36 2.22 89.74 6.90 0.01 0.04 0.01 21 F H H 9.44 23.98 15.55 39.64 91.56 51.60 -63.71 -43.17 1.39 0.02 98.59 0.51 0.17 0.67 97.42 1.22 0.00 0.01 0.00 22 E H H 62.14 12.91 19.74 32.66 91.62 52.27 -62.95 -41.66 0.56 0.01 99.43 0.15 0.04 0.28 99.31 0.22 0.00 0.00 0.00 23 Q H H 101.31 2.18 23.69 24.35 91.74 50.59 -64.28 -41.75 0.35 0.00 99.65 0.06 0.02 0.20 99.62 0.11 0.00 0.00 0.00 24 F H H 33.27 12.75 19.19 33.04 91.75 49.25 -64.15 -43.38 0.27 0.00 99.73 0.04 0.01 0.15 99.68 0.11 0.00 0.00 0.00 25 L H H 7.91 23.68 15.01 38.72 91.75 49.73 -64.55 -40.85 0.34 0.00 99.66 0.05 0.02 0.21 99.52 0.21 0.00 0.00 0.00 26 Q H H 95.27 8.87 18.69 28.07 91.78 53.08 -65.41 -35.76 1.46 0.00 98.54 0.07 0.05 1.24 98.07 0.57 0.00 0.00 0.00 27 E H H 128.03 2.29 21.06 22.61 94.10 46.79 -74.70 -29.53 11.08 0.01 88.90 0.18 0.35 11.02 87.69 0.75 0.01 0.00 0.01 28 R H H 98.28 10.48 17.94 28.57 101.57 32.61 -105.43 -11.22 32.71 0.26 67.02 1.89 2.43 27.37 67.02 1.02 0.06 0.11 0.11 29 I C C 21.87 21.97 12.02 33.19 112.58 80.62 -92.73 121.80 86.37 10.41 3.22 63.88 19.66 2.55 3.18 0.69 0.00 6.86 3.17 30 K E E 109.93 5.05 21.26 27.20 124.03 146.77 -119.31 137.35 43.88 55.01 1.11 41.57 1.74 0.53 0.90 0.33 0.00 45.03 9.90 31 V E E 36.52 17.67 10.97 28.08 117.94 -169.70 -122.67 119.43 14.94 83.16 1.89 9.00 3.31 1.87 1.19 0.93 0.04 55.57 28.08 32 N C T 124.34 2.69 14.75 18.66 92.75 -12.63 53.06 39.90 94.90 1.46 3.64 0.82 4.51 90.11 0.29 3.00 0.00 0.87 0.40 33 G C T 63.41 1.32 14.21 15.59 94.38 -52.36 79.87 3.34 97.24 0.28 2.47 0.79 5.76 90.68 0.15 2.35 0.00 0.17 0.10 34 K E E 112.75 4.33 14.21 20.46 122.12 109.90 -113.97 139.10 19.86 79.22 0.92 5.54 9.64 5.48 0.37 0.48 0.12 44.86 33.50 35 A C T 63.89 7.71 13.51 22.55 113.32 -114.71 -70.32 139.21 65.03 29.81 5.16 11.93 15.11 41.04 0.89 4.25 0.05 22.36 4.37 36 G C T 38.25 8.66 16.84 26.15 96.61 19.31 78.78 -0.34 87.50 7.18 5.32 24.08 24.95 38.80 0.89 4.61 0.01 5.20 1.46 37 N C C 75.60 9.12 17.57 27.42 99.38 120.01 -87.36 7.92 83.38 9.26 7.36 55.55 16.46 11.05 1.78 5.78 0.01 5.36 4.01 38 L C C 46.62 17.47 13.32 29.95 100.93 86.40 -87.43 8.36 74.61 16.68 8.71 41.50 16.37 17.32 2.20 6.30 0.06 8.23 8.02 39 G C T 44.24 5.35 16.88 23.44 104.57 -104.92 71.90 29.06 72.74 13.29 13.97 21.93 19.03 32.95 2.17 11.13 0.06 7.04 5.69 40 G C T 58.74 2.50 17.04 20.22 95.84 -15.00 63.30 18.81 86.34 1.86 11.81 5.63 21.03 59.11 1.00 11.24 0.01 1.11 0.88 41 G C T 40.50 9.63 16.30 26.22 98.15 -64.22 82.23 6.20 89.18 3.95 6.87 8.48 27.27 53.27 0.49 6.74 0.00 2.93 0.80 42 V E E 51.35 11.22 18.49 30.45 102.13 113.45 -93.08 -11.04 42.82 56.32 0.86 29.74 11.52 2.98 0.26 0.74 0.01 49.22 5.53 43 V E E 16.38 22.60 13.06 35.09 124.40 86.00 -116.75 134.64 16.31 83.64 0.04 14.80 1.06 0.08 0.01 0.03 0.00 83.25 0.77 44 S E E 47.38 6.41 25.68 32.44 125.01 -166.66 -117.88 141.90 3.57 96.41 0.01 3.45 0.11 0.01 0.00 0.00 0.00 96.28 0.15 45 L E E 34.98 22.41 13.10 34.56 124.02 -160.72 -121.01 133.08 2.14 97.85 0.00 2.02 0.10 0.01 0.00 0.00 0.00 97.85 0.03 46 E E E 100.48 3.89 23.22 27.45 125.43 -174.64 -127.30 138.28 1.03 98.97 0.01 0.89 0.06 0.01 0.00 0.00 0.00 98.99 0.04 47 R E E 119.10 12.99 12.51 25.57 119.29 -150.41 -105.40 130.04 5.36 94.60 0.04 4.32 0.63 0.11 0.01 0.02 0.00 94.74 0.18 48 S C C 51.80 4.16 14.95 20.45 127.85 173.72 -124.70 167.32 65.32 34.63 0.05 60.89 2.05 0.21 0.01 0.04 0.00 36.45 0.36 49 K C S 168.63 1.20 14.96 16.13 94.35 -84.17 -59.91 -37.22 99.28 0.52 0.20 2.63 60.21 36.51 0.01 0.18 0.00 0.39 0.06 50 S C S 63.37 8.17 13.88 22.86 102.25 12.65 -109.91 -1.00 99.37 0.46 0.17 1.91 59.85 37.69 0.00 0.16 0.00 0.35 0.04 51 K E E 77.02 8.79 18.71 28.53 138.55 42.19 -142.67 155.52 33.30 66.65 0.04 24.22 8.41 0.35 0.00 0.04 0.00 66.44 0.53 52 I E E 11.34 22.09 14.85 37.68 120.27 -145.92 -114.77 129.20 3.09 96.91 0.00 2.98 0.06 0.00 0.00 0.00 0.00 96.89 0.06 53 T E E 32.80 9.57 25.28 36.06 119.24 -163.23 -111.85 130.38 0.24 99.76 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.78 0.00 54 V E E 6.79 24.19 17.42 42.10 122.23 -167.61 -117.68 130.39 0.10 99.90 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 55 T E E 47.07 9.47 25.77 35.77 124.77 -170.28 -120.20 138.36 1.15 98.85 0.00 1.05 0.03 0.00 0.00 0.00 0.00 98.89 0.04 56 S E E 10.83 22.11 13.69 35.39 132.48 -168.15 -129.62 153.59 24.52 75.47 0.01 22.49 1.13 0.04 0.00 0.01 0.00 75.94 0.39 57 E C S 126.14 4.02 22.19 26.79 96.59 -144.13 -88.67 -6.75 86.08 13.89 0.03 28.69 56.58 0.53 0.00 0.03 0.00 13.80 0.36 58 V C S 38.74 13.76 16.23 30.97 120.27 81.94 -103.05 135.11 93.52 6.43 0.05 23.42 70.05 0.60 0.01 0.04 0.00 5.38 0.50 59 P C C 75.75 6.86 23.35 30.52 112.49 -109.94 -67.83 140.74 96.34 3.61 0.05 90.52 5.67 0.39 0.01 0.04 0.00 2.83 0.54 60 F C C 14.01 24.62 11.86 36.29 120.30 -137.08 -107.77 143.65 92.07 7.76 0.16 87.04 4.47 0.20 0.09 0.07 0.00 2.45 5.70 61 S C C 39.28 6.69 22.28 29.37 121.13 -124.44 -82.08 159.60 96.96 2.84 0.20 96.40 0.96 0.09 0.13 0.03 0.00 0.94 1.45 62 K H H 112.72 9.68 15.95 26.49 91.40 -110.64 -59.33 -36.22 3.94 0.01 96.05 0.31 0.51 3.04 94.72 1.41 0.01 0.00 0.00 63 R H H 138.30 3.21 20.68 23.70 91.36 55.49 -63.57 -39.81 2.88 0.01 97.12 0.18 0.21 2.42 95.19 1.99 0.01 0.00 0.00 64 Y H H 36.39 16.85 17.73 34.59 91.98 48.97 -66.06 -40.70 1.28 0.00 98.71 0.15 0.10 0.93 96.31 2.50 0.00 0.00 0.00 65 L H H 13.80 21.87 16.62 38.08 91.63 51.63 -63.77 -41.52 0.38 0.00 99.62 0.07 0.03 0.23 98.91 0.75 0.00 0.00 0.00 66 K H H 99.01 7.50 21.77 29.58 91.79 52.37 -64.24 -40.02 0.97 0.00 99.02 0.07 0.05 0.85 97.51 1.53 0.00 0.00 0.00 67 Y H H 84.55 8.06 22.21 30.74 92.39 49.32 -66.76 -40.83 2.34 0.00 97.65 0.13 0.11 2.08 96.48 1.19 0.00 0.00 0.00 68 L H H 14.01 20.38 19.21 39.26 93.62 47.77 -68.44 -39.56 10.74 0.04 89.22 0.84 1.05 8.65 88.32 1.08 0.03 0.02 0.02 69 T H H 16.46 19.23 18.87 37.56 96.15 47.06 -75.75 -35.42 40.49 0.35 59.16 9.35 3.61 25.95 59.18 1.55 0.02 0.14 0.19 70 K H H 99.24 8.55 20.39 29.26 92.59 59.12 -63.08 -41.16 10.88 0.09 89.03 2.46 1.68 6.42 88.59 0.77 0.02 0.03 0.03 71 K H H 101.65 3.85 21.93 25.54 92.40 48.94 -66.04 -41.45 5.17 0.03 94.80 0.86 0.59 3.57 94.36 0.59 0.01 0.01 0.01 72 Y H H 32.79 14.45 17.30 32.53 92.84 47.32 -66.00 -42.40 1.96 0.03 98.02 0.44 0.29 1.23 97.17 0.83 0.01 0.01 0.01 73 L H H 14.99 18.76 13.43 32.41 92.07 50.39 -64.36 -41.61 1.28 0.02 98.70 0.30 0.14 0.78 97.65 1.10 0.00 0.01 0.00 74 K H H 131.66 2.83 17.22 20.69 92.21 49.35 -65.25 -40.59 1.84 0.01 98.15 0.22 0.12 1.36 97.32 0.96 0.00 0.00 0.00 75 K H H 136.92 2.37 16.28 19.06 92.06 50.88 -66.62 -33.21 7.33 0.01 92.66 0.22 0.33 6.87 91.82 0.73 0.01 0.00 0.01 76 N C T 59.30 10.31 12.38 24.01 96.84 42.21 -99.83 7.75 85.87 0.05 14.08 0.62 2.45 81.84 14.28 0.74 0.00 0.01 0.06 77 N C T 126.12 1.81 18.83 20.68 92.82 -121.74 57.74 38.93 99.38 0.02 0.60 2.48 1.92 95.15 0.29 0.13 0.00 0.01 0.01 78 L C C 17.78 19.30 12.16 31.91 100.02 133.92 -103.73 14.16 95.47 0.47 4.06 93.94 1.11 1.45 0.99 2.03 0.00 0.19 0.29 79 R H G 88.62 15.72 15.11 30.31 92.09 112.81 -60.50 -33.40 26.46 0.42 73.12 6.60 2.57 13.66 1.52 75.31 0.00 0.29 0.05 80 D H G 104.38 2.91 22.22 25.46 90.49 62.00 -71.80 -15.91 29.54 0.22 70.24 0.84 2.18 24.06 1.20 71.52 0.00 0.12 0.05 81 W H G 51.37 16.72 18.09 34.86 98.10 51.50 -98.33 -7.15 32.03 0.59 67.38 1.85 3.56 24.21 1.27 68.60 0.00 0.42 0.09 82 L E E 6.99 25.15 15.70 41.04 122.56 81.63 -107.19 136.95 31.06 68.36 0.58 24.73 7.18 0.67 0.18 0.41 0.00 65.30 1.53 83 R E E 74.91 12.24 26.31 38.31 126.15 -172.21 -123.07 139.70 7.66 92.32 0.02 6.60 0.55 0.04 0.01 0.01 0.00 92.70 0.09 84 V E E 22.44 20.99 20.36 40.83 117.21 -136.92 -100.88 128.28 0.87 99.13 0.00 0.80 0.02 0.00 0.00 0.00 0.00 99.15 0.02 85 V E E 28.66 14.21 21.91 36.56 121.21 -171.61 -117.43 134.92 0.56 99.43 0.00 0.50 0.02 0.00 0.00 0.00 0.00 99.45 0.02 86 A E E 23.92 15.24 15.60 31.43 125.15 -161.66 -120.48 139.85 5.14 94.85 0.01 4.79 0.20 0.02 0.00 0.01 0.00 94.85 0.14 87 N C E 95.46 5.78 16.89 23.95 98.97 -165.74 -92.95 -19.31 53.46 46.47 0.07 20.92 29.75 1.26 0.00 0.07 0.00 47.74 0.26 88 T C S 71.50 2.65 17.99 20.38 135.06 11.67 -138.42 168.78 67.48 32.30 0.22 11.35 51.05 4.86 0.02 0.23 0.00 31.39 1.11 89 K C T 147.71 4.39 13.96 19.89 93.65 -91.19 -64.80 -28.02 99.33 0.30 0.37 0.92 38.27 60.22 0.01 0.35 0.00 0.18 0.06 90 E C T 121.98 5.10 15.67 21.83 100.28 30.97 -103.90 4.53 99.11 0.63 0.26 1.78 39.24 58.15 0.01 0.29 0.00 0.47 0.07 91 S E E 33.23 9.06 17.56 28.28 130.60 71.21 -130.01 147.05 38.37 61.57 0.06 31.72 5.29 0.34 0.01 0.06 0.00 62.07 0.52 92 Y E E 31.15 20.42 13.23 33.48 134.28 -174.62 -138.17 150.27 4.84 95.16 0.00 4.37 0.15 0.01 0.00 0.00 0.00 95.42 0.05 93 E E E 75.71 7.76 24.49 32.85 124.09 -155.80 -121.47 136.34 0.36 99.64 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.68 0.01 94 L E E 22.63 21.84 14.94 36.64 117.40 -141.42 -96.75 131.57 0.25 99.75 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.77 0.00 95 R E E 91.24 8.83 21.38 30.78 124.17 -168.93 -119.27 136.69 2.92 97.08 0.00 2.67 0.08 0.00 0.00 0.00 0.00 97.21 0.04 96 Y E E 91.25 13.32 15.48 28.97 116.77 -132.63 -91.27 135.67 19.97 80.02 0.02 18.58 0.59 0.08 0.00 0.01 0.00 80.16 0.58 97 F C C 62.68 15.30 16.04 30.76 107.24 -152.22 -92.24 79.89 99.63 0.37 0.01 99.51 0.11 0.06 0.00 0.00 0.00 0.30 0.01