# 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 103.61 7.78 12.82 21.71 116.50 -160.58 -97.17 130.80 99.87 0.12 0.01 99.86 0.06 0.02 0.00 0.00 0.00 0.05 0.01 1 V C C 87.55 6.27 10.13 18.03 117.06 -156.71 -96.31 135.59 89.56 7.70 2.74 87.56 0.92 1.90 1.25 0.80 0.00 5.57 2.01 2 K C C 136.36 3.66 10.86 16.44 114.16 -132.95 -86.83 135.88 82.55 11.11 6.33 62.17 13.15 7.04 2.59 3.61 0.00 8.18 3.25 3 K C C 132.42 4.96 10.24 17.06 112.82 -129.38 -87.19 134.69 82.39 7.47 10.13 54.70 18.11 10.10 3.03 6.79 0.00 5.46 1.81 4 N C C 97.78 5.86 11.26 18.59 113.05 -141.82 -90.80 128.66 83.43 5.44 11.13 56.72 16.54 10.48 2.64 8.38 0.00 4.07 1.17 5 T C C 91.72 5.05 12.04 18.70 109.87 -154.66 -89.53 110.22 83.40 7.11 9.48 57.34 16.66 9.69 2.19 7.16 0.00 5.79 1.17 6 K C C 127.69 4.98 13.69 20.15 111.83 -139.87 -90.46 124.08 77.83 16.01 6.16 55.96 14.38 7.22 1.58 4.54 0.00 14.52 1.79 7 V C C 67.75 11.48 12.03 24.04 115.33 -161.23 -96.58 128.04 68.81 29.07 2.12 56.07 8.83 2.79 0.65 1.45 0.00 28.10 2.11 8 S C C 62.05 7.86 15.95 24.67 107.34 -171.88 -99.68 -3.63 59.24 39.59 1.17 42.54 13.46 3.22 0.26 0.91 0.00 38.26 1.35 9 N E E 60.95 11.67 17.02 29.08 125.20 12.47 -121.99 140.82 41.25 58.15 0.60 30.54 9.42 1.59 0.11 0.49 0.00 56.80 1.04 10 K E E 91.19 12.98 18.70 31.41 125.36 -162.84 -116.81 138.67 28.60 71.24 0.15 23.74 4.25 0.31 0.03 0.12 0.00 70.94 0.61 11 Y E E 30.46 18.83 18.16 36.89 128.41 -169.84 -125.71 142.93 9.88 90.08 0.04 8.89 0.61 0.05 0.01 0.02 0.00 90.15 0.27 12 I E E 54.98 12.39 23.88 36.55 119.16 -150.28 -110.42 128.56 2.76 97.24 0.01 2.57 0.10 0.01 0.00 0.00 0.00 97.19 0.13 13 I E E 8.92 23.69 18.02 42.10 116.96 -159.92 -106.25 125.14 3.11 96.88 0.01 2.96 0.10 0.01 0.00 0.00 0.00 96.72 0.20 14 D E E 55.13 8.77 25.74 35.13 108.94 -147.30 -95.72 110.86 15.33 84.56 0.11 14.53 0.72 0.10 0.04 0.06 0.00 83.62 0.93 15 A C C 6.30 24.19 15.42 40.07 98.39 -175.65 -90.92 2.92 73.00 12.47 14.53 39.53 13.92 20.16 2.35 11.93 0.01 11.02 1.08 16 T C S 67.36 9.68 21.03 30.98 93.88 88.20 -78.85 -16.14 74.41 7.78 17.81 18.45 28.84 28.81 3.40 13.37 0.07 5.16 1.91 17 A C S 52.99 7.52 19.88 28.12 112.89 76.73 -85.94 136.45 75.27 6.30 18.43 26.10 40.18 10.87 4.81 11.97 0.06 3.80 2.21 18 A C C 40.20 13.45 16.38 29.79 107.78 -110.64 -73.32 128.84 74.04 15.18 10.78 60.23 7.68 5.17 4.91 6.08 0.02 9.30 6.61 19 V C C 39.65 16.48 12.44 28.30 111.67 56.66 -94.75 125.16 60.70 30.55 8.76 40.64 11.21 8.20 4.38 4.73 0.22 16.33 14.29 20 N C T 117.22 3.05 16.82 20.59 101.39 -108.96 -75.11 11.98 68.90 23.71 7.39 18.99 23.47 28.78 2.38 4.60 0.22 15.00 6.57 21 D C T 79.68 7.58 13.80 22.37 99.23 49.55 -91.71 13.27 92.37 3.11 4.52 11.94 39.69 41.29 0.92 3.17 0.01 1.83 1.14 22 K C S 144.92 4.50 16.91 22.79 95.29 -116.02 64.58 11.69 94.24 4.09 1.68 8.87 57.39 28.46 0.27 1.20 0.00 2.81 0.98 23 I C S 53.37 13.40 17.07 30.65 99.78 94.10 -87.31 -28.59 68.92 30.31 0.77 17.23 47.34 5.97 0.26 0.53 0.01 22.05 6.60 24 F C C 17.96 22.20 12.78 34.60 127.00 36.45 -124.06 138.69 51.12 48.20 0.68 34.79 16.57 1.21 0.44 0.35 0.01 25.88 20.75 25 D C C 71.63 5.92 24.15 30.18 108.41 -141.73 -94.87 107.52 83.87 15.45 0.69 83.61 1.14 0.30 0.57 0.14 0.00 11.05 3.19 26 V H H 31.09 20.20 14.77 34.54 93.44 -162.36 -63.89 -35.72 4.41 0.04 95.55 2.29 0.57 1.48 95.06 0.57 0.00 0.02 0.01 27 A H H 57.87 4.00 22.25 26.28 91.48 56.37 -62.39 -41.36 0.92 0.00 99.07 0.12 0.06 0.61 98.50 0.71 0.00 0.00 0.00 28 A H H 33.27 7.86 20.90 29.92 91.68 50.09 -65.01 -40.53 0.46 0.00 99.54 0.07 0.03 0.29 98.86 0.75 0.00 0.00 0.00 29 F H H 5.88 24.65 16.70 41.47 91.90 50.23 -63.86 -42.96 0.23 0.00 99.77 0.04 0.01 0.12 99.56 0.25 0.00 0.00 0.00 30 E H H 53.18 15.71 20.40 35.41 91.56 52.13 -62.81 -41.97 0.29 0.00 99.71 0.04 0.01 0.19 99.66 0.10 0.00 0.00 0.00 31 K H H 118.69 2.55 24.79 26.48 91.59 50.60 -64.13 -41.88 0.52 0.00 99.48 0.03 0.02 0.42 99.42 0.10 0.00 0.00 0.00 32 Y H H 36.09 13.25 20.80 34.83 91.88 48.98 -64.56 -43.10 0.38 0.00 99.62 0.03 0.02 0.27 99.52 0.16 0.00 0.00 0.00 33 L H H 3.31 25.56 17.26 43.08 91.66 49.19 -64.44 -42.23 0.39 0.00 99.61 0.05 0.02 0.27 99.25 0.43 0.00 0.00 0.00 34 I H H 56.76 14.42 19.50 33.43 92.06 51.60 -65.28 -37.94 1.33 0.00 98.66 0.05 0.04 1.19 97.55 1.15 0.00 0.00 0.00 35 D H H 96.03 3.11 23.16 26.02 93.09 51.30 -73.93 -26.12 8.81 0.01 91.18 0.18 0.30 8.63 89.95 0.93 0.01 0.00 0.01 36 R H H 82.37 12.10 19.26 31.46 100.79 38.48 -100.85 -10.30 33.79 0.21 65.99 2.38 3.03 27.30 65.91 1.15 0.05 0.08 0.11 37 I C C 10.30 24.41 13.29 37.41 108.73 84.36 -88.69 108.53 88.50 8.70 2.80 62.01 24.20 2.25 2.68 0.60 0.00 5.18 3.08 38 K E E 100.51 6.30 22.93 29.92 124.82 155.81 -121.28 137.36 34.07 65.24 0.69 32.53 1.37 0.34 0.58 0.20 0.00 49.53 15.45 39 V E E 25.00 19.98 11.81 31.12 118.18 -165.97 -119.93 120.06 16.09 82.56 1.35 10.63 3.12 1.54 0.74 0.69 0.02 59.40 23.86 40 D C T 112.97 3.41 15.82 20.42 93.35 -14.45 53.11 42.58 97.26 0.82 1.92 0.55 3.59 93.52 0.16 1.53 0.00 0.46 0.19 41 G C T 62.08 1.72 14.74 16.67 94.21 -47.91 79.55 2.91 98.81 0.12 1.07 0.57 5.01 93.25 0.06 1.02 0.00 0.06 0.03 42 K E E 107.42 4.83 14.92 21.66 125.08 104.27 -114.64 141.73 18.20 81.21 0.59 5.43 11.96 1.88 0.23 0.35 0.07 50.40 29.67 43 T C T 78.67 7.78 15.49 24.43 112.02 -109.84 -68.21 135.84 61.95 35.18 2.87 7.31 16.02 41.35 0.42 2.56 0.02 28.49 3.83 44 G C T 30.97 11.61 17.43 29.32 95.62 16.41 77.33 1.65 92.27 5.26 2.47 14.62 33.62 43.92 0.35 2.35 0.00 4.21 0.92 45 N C C 75.76 8.41 20.79 29.70 102.52 123.17 -90.73 55.15 88.39 8.68 2.92 58.35 21.00 8.79 0.68 2.45 0.00 4.25 4.47 46 L C C 19.36 21.53 14.40 35.33 96.56 134.43 -85.58 -9.97 82.54 13.84 3.62 64.49 10.78 5.31 1.17 2.49 0.00 5.22 10.54 47 G C C 25.45 11.59 18.56 30.32 113.82 -149.17 67.06 -143.44 76.10 3.83 20.06 45.14 11.92 15.80 1.25 22.44 0.00 2.24 1.20 48 S C T 91.17 2.25 19.68 22.15 94.25 -17.85 -79.04 -11.81 75.15 2.49 22.36 5.62 16.46 50.73 0.77 24.07 0.00 1.65 0.69 49 S C T 54.04 9.44 18.77 28.71 97.52 58.96 -94.91 -0.10 75.43 4.78 19.79 13.24 13.32 46.67 0.68 21.59 0.00 3.96 0.53 50 V E E 9.43 25.00 11.00 35.67 119.64 93.74 -102.65 133.28 47.47 52.46 0.08 41.83 4.23 0.17 0.01 0.06 0.00 53.18 0.51 51 V E E 73.31 5.32 26.72 32.46 120.28 -162.72 -114.59 130.70 2.53 97.46 0.01 2.49 0.07 0.00 0.01 0.00 0.00 97.27 0.15 52 V E E 21.99 23.59 13.90 37.06 120.91 -162.37 -115.87 128.69 0.93 99.07 0.00 0.90 0.02 0.00 0.00 0.00 0.00 99.06 0.01 53 S E E 47.94 5.54 24.35 30.22 133.74 174.91 -136.18 156.10 0.72 99.27 0.00 0.64 0.03 0.00 0.00 0.00 0.00 99.31 0.01 54 R E E 110.61 14.03 13.24 27.04 117.38 -131.18 -102.15 127.78 3.53 96.43 0.03 3.05 0.29 0.06 0.01 0.02 0.00 96.26 0.32 55 E C C 107.97 5.42 14.98 21.72 112.58 -175.08 -118.06 102.90 54.84 44.86 0.29 48.39 3.33 0.86 0.04 0.24 0.00 46.60 0.55 56 G C T 50.10 1.76 16.29 17.75 118.46 -52.00 83.91 -153.53 84.35 12.77 2.87 3.78 18.20 62.48 0.08 3.33 0.00 11.41 0.71 57 S C T 86.87 3.52 15.54 20.07 97.31 -21.14 -74.87 -6.72 97.07 0.23 2.70 1.56 12.73 82.20 0.06 3.23 0.00 0.15 0.07 58 S C T 42.91 14.61 14.56 28.59 100.63 6.40 -109.12 13.43 96.34 0.95 2.71 5.61 35.47 54.85 0.08 3.13 0.00 0.67 0.18 59 K E E 65.72 10.37 20.81 32.11 124.44 98.61 -112.76 138.45 41.10 58.84 0.06 35.88 3.81 0.37 0.01 0.06 0.00 58.40 1.47 60 I E E 6.31 23.81 16.63 41.18 123.94 -166.90 -120.59 134.47 2.21 97.79 0.00 2.03 0.06 0.00 0.00 0.00 0.00 97.86 0.05 61 A E E 21.89 11.15 26.56 38.94 119.49 -155.27 -108.99 131.35 0.16 99.84 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.86 0.00 62 V E E 3.87 25.47 19.03 45.27 120.44 -163.94 -114.75 127.55 0.06 99.94 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 63 I E E 44.93 10.67 26.90 38.38 118.56 -163.46 -110.64 127.06 0.75 99.25 0.00 0.69 0.01 0.00 0.00 0.00 0.00 99.28 0.02 64 A E E 6.86 23.51 15.33 38.80 124.17 -166.50 -110.34 143.92 17.56 82.43 0.01 16.57 0.58 0.03 0.00 0.01 0.00 82.55 0.27 65 H C S 102.73 6.73 23.36 30.59 99.06 -159.96 -97.68 4.47 79.51 20.42 0.06 31.20 46.59 0.77 0.01 0.06 0.00 21.02 0.37 66 I C S 47.57 13.08 17.71 31.67 124.76 80.77 -110.81 141.90 88.69 11.07 0.24 33.82 54.28 1.11 0.05 0.18 0.00 9.60 0.95 67 D C C 92.35 5.57 22.88 29.36 111.93 -107.30 -72.24 133.66 94.10 5.60 0.29 88.89 4.62 0.78 0.07 0.20 0.00 4.46 0.97 68 F C C 14.34 24.48 12.06 36.35 119.34 -148.93 -103.11 135.82 92.85 6.13 1.03 87.16 4.57 0.78 0.62 0.38 0.00 2.53 3.97 69 S C C 42.56 6.65 23.05 29.77 124.23 -139.11 -92.24 162.71 95.64 2.40 1.96 91.47 3.36 0.79 1.70 0.29 0.00 0.88 1.50 70 G H H 32.40 12.37 16.26 28.82 92.72 -106.37 -58.88 -37.66 13.30 0.08 86.62 1.77 2.90 8.97 83.11 3.11 0.07 0.03 0.05 71 R H H 136.61 3.87 21.38 25.10 91.76 54.92 -64.61 -39.41 8.16 0.05 91.79 0.83 0.90 6.31 88.02 3.84 0.06 0.02 0.02 72 Y H H 35.97 17.42 18.34 35.57 92.25 50.07 -65.76 -40.68 4.18 0.04 95.78 0.68 0.43 2.86 91.57 4.41 0.02 0.03 0.01 73 L H H 11.08 22.85 17.54 39.95 91.65 51.65 -64.21 -41.50 0.98 0.01 99.01 0.24 0.10 0.56 97.24 1.84 0.00 0.01 0.00 74 K H H 94.50 8.58 22.86 31.60 91.76 51.94 -63.76 -40.83 1.64 0.01 98.34 0.19 0.11 1.27 95.85 2.57 0.00 0.01 0.00 75 Y H H 74.39 8.86 23.17 32.55 92.07 49.11 -65.53 -41.60 3.26 0.02 96.73 0.31 0.23 2.62 94.70 2.11 0.01 0.01 0.01 76 L H H 9.25 21.86 19.88 41.44 92.54 48.19 -66.53 -41.10 11.09 0.10 88.81 1.64 1.36 8.00 87.28 1.58 0.04 0.05 0.05 77 T H H 14.18 20.32 19.91 39.48 93.72 48.86 -68.54 -40.83 31.19 0.36 68.46 7.74 3.20 19.50 67.71 1.50 0.03 0.15 0.17 78 K H H 99.11 7.79 22.19 30.20 92.53 52.33 -64.60 -41.40 9.67 0.07 90.26 1.78 1.48 6.28 89.54 0.84 0.02 0.03 0.03 79 K H H 87.45 5.86 22.30 28.44 92.64 47.95 -66.60 -41.37 5.61 0.04 94.36 0.79 0.64 4.09 93.56 0.86 0.02 0.02 0.01 80 F H H 18.47 17.19 17.47 35.21 92.88 47.52 -65.98 -42.73 2.92 0.04 97.04 0.52 0.37 2.01 95.65 1.40 0.02 0.02 0.01 81 L H H 16.14 18.66 14.57 33.42 92.15 50.12 -64.47 -41.96 2.18 0.03 97.79 0.45 0.24 1.41 95.89 1.97 0.01 0.02 0.01 82 K H H 131.96 2.78 18.09 21.32 92.48 48.88 -65.75 -40.13 3.17 0.02 96.81 0.37 0.23 2.42 95.28 1.68 0.01 0.01 0.00 83 K H H 126.44 3.48 16.75 21.02 92.58 49.02 -68.00 -33.75 10.11 0.02 89.87 0.41 0.58 9.14 88.59 1.23 0.02 0.01 0.01 84 H C T 69.51 11.61 13.09 25.56 98.20 38.79 -101.43 5.24 79.09 0.13 20.78 1.55 4.70 70.93 21.31 1.33 0.01 0.04 0.13 85 S C T 84.37 2.88 19.75 23.21 94.50 -124.52 58.11 39.47 98.50 0.08 1.42 9.84 3.98 84.90 0.82 0.37 0.00 0.04 0.04 86 L C C 19.88 20.79 12.88 33.22 102.37 138.96 -92.71 36.15 93.15 1.36 5.49 87.58 3.25 2.90 1.96 2.90 0.00 0.61 0.79 87 R C C 96.85 13.84 19.06 31.98 96.80 117.40 -70.04 -30.16 67.81 2.48 29.71 45.99 7.53 12.73 1.99 29.50 0.00 1.66 0.59 88 D C G 82.26 8.17 22.51 30.80 94.07 62.71 -73.14 -14.42 60.56 4.20 35.24 10.63 20.33 29.55 1.21 34.62 0.01 2.85 0.79 89 W C G 38.68 18.66 19.27 37.42 99.85 55.56 -95.46 -7.53 47.63 17.51 34.85 14.70 12.49 22.02 1.20 32.42 0.01 16.46 0.70 90 L E E 8.63 24.44 17.88 42.28 122.63 80.70 -110.50 136.54 20.84 77.76 1.41 16.29 4.03 1.07 0.28 0.99 0.00 76.80 0.54 91 R E E 65.23 13.51 26.24 39.45 125.06 -170.97 -119.05 138.47 4.32 95.64 0.05 3.64 0.39 0.06 0.01 0.02 0.00 95.81 0.07 92 V E E 20.99 21.33 20.21 41.03 118.52 -149.16 -107.80 127.15 0.61 99.38 0.00 0.53 0.02 0.00 0.00 0.00 0.00 99.43 0.01 93 V E E 30.13 13.23 22.23 36.13 124.86 -171.70 -121.77 137.61 0.39 99.61 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.64 0.01 94 S E E 30.21 14.79 15.78 31.02 118.45 -151.66 -106.08 129.24 4.51 95.47 0.02 4.08 0.20 0.03 0.00 0.01 0.00 95.60 0.07 95 T E E 73.77 7.06 16.57 24.93 99.20 -173.79 -95.03 -21.41 38.53 61.33 0.14 16.41 19.68 1.17 0.01 0.12 0.00 62.40 0.21 96 K E E 117.85 2.59 17.40 20.20 131.95 5.20 -136.12 159.01 33.47 66.21 0.32 5.43 25.25 4.38 0.04 0.31 0.00 63.15 1.44 97 K C T 161.40 1.85 15.10 17.83 108.24 -71.43 -61.54 129.63 98.95 0.50 0.55 0.56 10.39 88.10 0.03 0.50 0.00 0.33 0.08 98 G C T 40.18 7.10 15.55 23.93 94.63 14.72 84.16 -0.80 99.22 0.48 0.31 1.07 10.93 87.22 0.01 0.34 0.00 0.39 0.04 99 V E E 49.22 8.74 17.88 28.39 122.16 103.78 -116.76 131.70 15.42 84.56 0.02 13.06 1.60 0.11 0.00 0.02 0.00 84.62 0.59 100 Y E E 33.68 20.15 14.02 33.84 130.71 -176.11 -129.36 147.71 2.66 97.33 0.00 2.31 0.10 0.01 0.00 0.00 0.00 97.54 0.03 101 E E E 68.30 9.25 24.76 34.55 124.53 -159.76 -121.22 136.67 0.38 99.62 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.64 0.00 102 L E E 17.04 22.84 16.52 39.34 118.30 -148.02 -101.70 129.60 0.31 99.69 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.70 0.00 103 R E E 80.12 10.93 23.90 34.84 123.53 -170.03 -118.03 133.58 1.46 98.54 0.00 1.31 0.07 0.01 0.00 0.00 0.00 98.59 0.02 104 Y E E 57.39 18.27 18.14 35.65 123.12 -155.98 -109.63 140.00 7.81 92.14 0.04 7.09 0.44 0.06 0.01 0.02 0.00 92.02 0.35 105 Y E E 55.73 14.90 18.87 33.93 124.26 -165.39 -118.82 138.04 40.47 58.97 0.55 34.09 4.66 0.89 0.18 0.33 0.00 58.64 1.20 106 N C C 66.64 11.06 19.95 31.18 114.76 -146.38 -107.07 117.94 61.90 37.13 0.97 50.74 8.20 1.83 0.32 0.66 0.00 36.15 2.08 107 V C C 45.23 15.54 15.39 30.84 110.51 -164.02 -95.11 108.88 74.66 20.50 4.84 49.76 17.26 7.67 2.33 2.70 0.01 16.97 3.29 108 V C C 65.22 9.59 15.70 26.24 114.48 62.18 -99.54 129.61 79.15 15.06 5.79 52.08 17.12 9.83 2.85 3.17 0.01 10.91 4.04 109 V C C 84.82 7.28 13.99 22.34 111.37 -155.86 -95.18 119.49 85.54 6.82 7.64 43.48 23.91 18.89 3.45 3.94 0.01 4.26 2.05 110 G C C 40.00 6.29 13.19 20.59 110.97 21.37 -45.95 122.13 88.22 1.62 10.16 35.77 26.66 26.54 4.32 5.13 0.00 0.77 0.81 111 N C C 96.64 5.17 11.76 18.30 105.23 -30.57 -83.56 37.32 69.19 1.53 29.29 31.15 18.52 20.58 15.76 12.36 0.02 0.67 0.94 112 D C C 88.63 4.18 11.12 16.79 102.24 79.30 -77.64 -9.69 55.86 1.66 42.48 29.07 11.28 15.69 22.79 19.47 0.02 0.81 0.86 113 E H H 114.28 4.50 10.11 16.23 98.24 66.70 -74.38 -23.77 40.61 1.62 57.77 21.12 7.56 12.00 29.67 28.12 0.02 0.88 0.62 114 E H H 120.31 4.14 9.73 15.50 98.72 64.54 -75.79 -19.56 42.39 1.79 55.82 21.64 7.36 13.31 29.34 26.65 0.02 0.98 0.71 115 E C C 128.79 3.17 9.46 14.28 101.63 66.32 -82.61 -0.48 56.98 1.15 41.87 41.47 3.27 13.90 22.39 17.73 0.00 0.63 0.62 116 Q C C 121.52 3.66 11.15 16.45 105.68 81.50 -82.83 66.92 99.32 0.05 0.63 98.87 0.24 0.36 0.44 0.05 0.00 0.02 0.02