# 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 Q C C 124.48 3.57 14.34 19.31 116.17 -163.04 -92.18 134.83 99.91 0.09 0.00 99.90 0.04 0.01 0.00 0.00 0.00 0.05 0.00 1 K C C 125.86 6.37 11.27 19.41 116.46 -142.84 -92.15 134.21 76.81 23.05 0.14 74.36 1.30 0.41 0.02 0.09 0.00 23.09 0.71 2 I E E 82.68 7.83 12.56 22.01 119.01 -152.21 -105.33 134.19 38.87 61.00 0.13 35.06 2.59 0.31 0.03 0.10 0.00 61.13 0.78 3 A E E 60.12 9.42 13.97 24.44 122.45 -159.04 -109.99 138.05 19.51 80.42 0.06 17.26 1.77 0.16 0.01 0.05 0.00 80.38 0.37 4 K E E 71.30 12.06 15.79 28.64 126.97 -170.03 -124.01 140.79 8.48 91.49 0.03 7.28 1.01 0.08 0.00 0.02 0.00 91.43 0.17 5 T E E 69.53 10.02 18.19 29.02 123.61 -156.66 -116.47 137.99 7.00 92.99 0.01 6.16 0.42 0.02 0.00 0.00 0.00 93.32 0.07 6 F E E 28.38 17.76 16.42 34.51 131.44 -174.41 -132.33 148.32 3.15 96.84 0.00 2.87 0.12 0.01 0.00 0.00 0.00 96.96 0.05 7 T E E 55.76 10.06 23.20 33.72 120.57 -146.49 -112.63 130.04 1.40 98.60 0.00 1.32 0.04 0.00 0.00 0.00 0.00 98.60 0.04 8 V E E 9.49 23.08 16.52 39.90 117.28 -161.32 -108.79 125.24 2.14 97.86 0.00 2.07 0.05 0.00 0.00 0.00 0.00 97.72 0.15 9 D E E 60.40 7.50 24.87 32.98 109.34 -148.12 -97.46 111.66 14.92 85.05 0.02 14.26 0.54 0.04 0.00 0.01 0.00 84.52 0.61 10 V C C 11.55 23.09 14.37 37.86 98.20 -177.19 -95.99 5.24 79.46 18.49 2.05 47.81 17.34 14.50 0.23 2.05 0.00 16.79 1.29 11 S C S 60.27 7.81 19.79 28.34 93.21 98.05 -74.96 -18.91 92.49 6.35 1.16 11.86 60.20 20.57 0.09 1.08 0.00 5.35 0.84 12 S C S 62.19 5.02 20.15 25.85 113.17 55.67 -111.87 108.63 95.84 3.69 0.47 17.22 76.90 2.13 0.08 0.31 0.00 2.49 0.87 13 P C C 49.75 14.84 13.13 27.80 114.34 -133.20 -70.07 145.71 89.31 9.85 0.84 83.60 3.83 0.70 0.38 0.38 0.00 3.26 7.86 14 T C C 41.62 12.98 11.44 24.83 118.25 -117.06 -82.32 159.19 85.80 13.04 1.16 80.65 2.95 0.88 0.46 0.56 0.00 4.31 10.18 15 E C T 163.97 1.04 14.66 15.34 93.80 -100.54 -65.35 -20.25 85.41 10.08 4.51 3.14 12.94 69.46 0.41 4.24 0.03 5.83 3.94 16 N C T 110.54 2.98 13.64 17.70 94.26 51.10 -87.15 4.44 95.65 0.63 3.72 0.92 9.34 85.30 0.17 3.72 0.00 0.32 0.24 17 G C S 47.69 4.87 14.34 20.72 94.33 -107.37 81.33 8.31 96.26 1.84 1.90 6.96 75.36 13.99 0.13 1.72 0.00 0.93 0.90 18 V C S 49.09 11.85 16.23 28.93 97.80 115.57 -83.71 -30.68 90.00 9.60 0.40 26.65 61.95 2.07 0.16 0.21 0.00 3.97 4.98 19 F C C 23.79 20.69 12.81 33.15 127.32 32.34 -124.76 141.53 70.24 29.34 0.42 33.95 33.50 0.58 0.28 0.13 0.00 6.01 25.54 20 D C C 68.92 5.98 23.87 30.03 108.63 -141.83 -97.56 110.34 97.86 1.95 0.19 97.27 0.90 0.12 0.13 0.03 0.00 0.76 0.79 21 P H H 32.57 19.51 14.29 33.49 93.23 -160.96 -62.78 -35.04 6.96 0.03 93.00 3.51 1.07 2.28 92.40 0.71 0.00 0.01 0.01 22 A H H 62.56 3.94 21.68 25.73 91.74 57.21 -63.41 -40.58 1.36 0.00 98.64 0.18 0.11 0.91 97.78 1.02 0.00 0.00 0.00 23 S H H 42.24 6.69 21.28 28.65 91.95 49.38 -65.45 -40.53 0.74 0.01 99.25 0.14 0.06 0.44 98.13 1.22 0.00 0.01 0.00 24 Y H H 11.00 23.38 16.74 39.97 91.84 50.36 -64.32 -42.78 0.48 0.01 99.51 0.13 0.05 0.24 99.14 0.44 0.00 0.00 0.00 25 A H H 24.65 15.71 19.50 35.08 91.49 52.50 -62.78 -41.82 0.68 0.01 99.31 0.15 0.04 0.39 99.26 0.15 0.00 0.00 0.00 26 K H H 121.58 2.43 24.52 26.09 91.68 51.38 -63.99 -41.70 1.00 0.00 99.00 0.09 0.06 0.76 98.93 0.16 0.00 0.00 0.00 27 Y H H 44.85 12.10 20.86 33.74 91.91 49.03 -64.56 -43.06 0.66 0.00 99.33 0.08 0.05 0.44 99.18 0.24 0.00 0.00 0.00 28 L H H 4.41 25.15 17.06 42.32 91.99 49.10 -64.87 -41.67 0.56 0.01 99.43 0.10 0.03 0.35 98.84 0.67 0.00 0.00 0.00 29 I H H 56.25 14.75 19.10 33.30 92.19 51.37 -65.51 -38.40 1.24 0.00 98.76 0.08 0.06 1.02 97.27 1.56 0.00 0.00 0.00 30 D H H 99.17 2.73 22.97 25.24 93.13 50.40 -74.42 -26.41 7.34 0.01 92.65 0.16 0.27 7.08 91.40 1.07 0.01 0.00 0.00 31 H H H 72.64 11.19 19.09 30.64 101.33 36.86 -103.22 -6.90 31.12 0.14 68.74 1.88 2.60 25.69 68.51 1.15 0.04 0.05 0.08 32 I C C 11.75 24.12 13.02 36.65 107.72 88.27 -87.75 103.55 88.68 7.96 3.35 63.32 22.93 2.39 3.20 0.68 0.00 4.43 3.04 33 K E E 104.01 5.92 22.74 29.39 123.51 156.73 -117.31 137.35 40.89 58.08 1.03 38.07 1.77 0.47 0.85 0.31 0.00 41.60 16.95 34 V E E 26.94 19.42 11.50 30.23 118.36 -164.66 -120.62 120.72 19.58 78.44 1.98 13.21 3.75 1.71 1.13 0.99 0.01 52.64 26.56 35 E C T 144.98 3.07 15.52 19.80 93.43 -20.30 51.47 44.07 95.05 1.76 3.19 0.90 4.60 90.09 0.39 2.55 0.00 1.06 0.42 36 G C T 64.08 1.19 14.76 15.46 94.77 -46.12 79.75 2.47 98.12 0.15 1.72 0.83 6.07 91.20 0.13 1.65 0.00 0.09 0.05 37 A E E 53.95 6.18 13.52 21.55 126.95 103.46 -113.42 147.68 25.40 73.72 0.88 6.52 17.45 2.48 0.32 0.53 0.04 44.55 28.12 38 V C T 88.04 7.07 15.44 23.72 111.74 -106.25 -68.11 135.42 67.22 29.40 3.38 5.50 15.06 49.66 0.56 2.86 0.04 22.10 4.23 39 G C T 32.99 10.66 16.97 28.17 95.66 16.88 76.71 1.54 92.11 5.36 2.52 13.47 27.39 51.29 0.39 2.38 0.00 4.07 1.01 40 N C C 77.86 8.06 20.23 28.85 100.74 124.87 -90.53 48.19 86.34 10.24 3.43 54.93 21.21 9.93 0.81 2.82 0.00 4.98 5.31 41 L C C 21.76 21.07 13.94 34.37 96.98 115.74 -88.25 -8.16 81.63 14.06 4.31 58.45 13.22 8.76 1.28 2.99 0.01 5.73 9.55 42 G C C 27.36 10.46 18.30 29.23 114.65 -146.74 62.09 -146.83 81.56 4.88 13.56 45.47 15.35 18.93 1.15 14.70 0.00 2.81 1.58 43 N C T 131.44 1.70 19.53 21.02 94.47 -18.55 -80.19 -8.36 82.99 3.34 13.67 8.93 26.78 46.90 0.73 13.65 0.00 2.17 0.83 44 A C T 46.62 10.75 17.86 29.11 96.49 63.00 -90.85 -7.08 79.10 10.20 10.69 19.53 19.22 39.71 0.50 11.28 0.00 9.00 0.75 45 V E E 8.86 25.02 10.94 35.60 121.50 82.70 -106.75 134.67 37.55 62.40 0.05 32.64 3.81 0.17 0.01 0.05 0.00 62.72 0.61 46 T E E 71.12 4.36 26.53 31.13 120.72 -163.68 -116.08 132.33 2.65 97.34 0.01 2.66 0.06 0.00 0.00 0.00 0.00 97.15 0.12 47 V E E 26.47 23.40 12.72 35.42 121.63 -162.91 -117.18 130.40 1.16 98.84 0.00 1.18 0.02 0.00 0.00 0.00 0.00 98.79 0.01 48 T E E 66.19 4.02 24.31 28.45 130.52 177.49 -133.23 147.80 0.67 99.33 0.00 0.58 0.03 0.00 0.00 0.00 0.00 99.38 0.01 49 E E E 84.72 16.47 11.42 26.99 121.14 -151.86 -115.86 129.65 3.77 96.20 0.03 3.03 0.40 0.08 0.00 0.01 0.00 96.35 0.12 50 D E E 99.61 2.23 17.10 19.56 111.03 174.09 -123.56 92.38 48.39 51.54 0.07 43.51 2.52 0.34 0.01 0.05 0.00 53.19 0.37 51 G C T 53.58 1.87 16.71 18.72 108.25 -61.00 63.72 -122.71 99.46 0.40 0.14 1.69 45.36 52.46 0.00 0.14 0.00 0.31 0.04 52 T C S 71.18 10.79 14.65 26.13 97.77 -8.90 -101.40 1.90 99.49 0.40 0.11 1.33 49.16 49.04 0.00 0.11 0.00 0.32 0.03 53 V E E 50.12 10.09 19.74 31.09 123.56 85.60 -110.97 137.70 20.17 79.81 0.01 15.10 4.12 0.14 0.00 0.01 0.00 80.30 0.32 54 V E E 6.08 23.57 15.91 40.45 118.59 -155.49 -109.98 128.08 1.33 98.67 0.00 1.23 0.03 0.00 0.00 0.00 0.00 98.73 0.02 55 T E E 29.53 9.99 26.59 37.87 119.27 -161.95 -111.28 128.99 0.09 99.91 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 56 V E E 3.81 25.48 18.11 44.46 119.92 -166.02 -114.85 128.27 0.05 99.95 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.95 0.00 57 V E E 45.48 9.47 26.85 37.13 121.28 -166.39 -115.80 130.87 0.97 99.03 0.00 0.87 0.02 0.00 0.00 0.00 0.00 99.08 0.02 58 S E E 8.60 23.25 13.46 36.40 129.08 -158.39 -122.16 147.75 23.22 76.76 0.02 21.18 1.21 0.06 0.00 0.01 0.00 77.25 0.29 59 T C S 85.95 4.63 22.79 27.96 97.34 -156.64 -95.78 -2.26 83.24 16.66 0.10 27.56 53.91 1.04 0.01 0.09 0.00 16.97 0.41 60 A C S 29.96 13.38 16.30 30.54 122.98 91.72 -93.47 145.45 91.72 8.02 0.26 24.48 66.01 1.67 0.05 0.21 0.00 6.74 0.84 61 K C C 132.53 4.33 22.64 27.84 112.12 -108.13 -73.52 135.14 95.11 4.71 0.18 89.53 5.06 0.76 0.04 0.13 0.00 3.61 0.87 62 F C C 15.80 24.40 11.41 35.41 123.67 -156.54 -112.02 143.47 91.16 8.49 0.35 87.44 3.31 0.30 0.20 0.12 0.00 2.90 5.72 63 S C C 42.25 6.45 22.62 29.24 122.70 -131.43 -94.40 160.85 97.05 2.43 0.52 96.15 1.21 0.19 0.39 0.06 0.00 0.87 1.14 64 G H H 35.45 11.07 16.03 27.66 92.09 -110.07 -59.06 -37.36 9.24 0.02 90.74 0.76 1.30 7.04 87.89 2.95 0.04 0.01 0.01 65 K H H 122.24 3.58 21.10 24.40 91.59 54.94 -64.43 -39.15 6.46 0.02 93.52 0.45 0.53 5.28 89.98 3.69 0.04 0.01 0.01 66 Y H H 36.00 17.29 17.78 35.04 92.13 50.29 -65.44 -40.99 3.31 0.02 96.67 0.41 0.28 2.34 92.56 4.39 0.01 0.01 0.00 67 L H H 12.45 22.51 16.73 38.78 91.65 52.07 -64.08 -41.20 0.81 0.00 99.19 0.18 0.07 0.48 97.43 1.83 0.00 0.00 0.00 68 K H H 102.95 7.33 22.15 29.84 91.75 52.99 -63.84 -39.62 1.62 0.01 98.38 0.15 0.09 1.32 95.42 3.01 0.00 0.00 0.00 69 Y H H 81.20 8.86 22.31 31.52 92.43 49.23 -66.55 -40.17 3.53 0.01 96.46 0.26 0.21 2.99 94.06 2.46 0.01 0.00 0.00 70 L H H 12.65 21.48 19.18 40.18 94.07 47.46 -70.12 -39.10 13.93 0.08 85.99 1.46 1.66 10.64 84.32 1.79 0.05 0.03 0.05 71 T H H 16.64 19.37 19.02 37.74 96.97 44.73 -77.22 -34.63 43.30 0.41 56.29 12.41 3.97 25.75 55.48 1.99 0.02 0.16 0.23 72 K H H 101.51 8.44 20.14 29.00 92.62 60.80 -63.27 -40.76 9.84 0.06 90.10 1.98 1.62 5.98 89.68 0.68 0.01 0.02 0.03 73 K H H 101.14 3.94 21.81 25.57 92.33 48.91 -65.63 -41.42 4.70 0.03 95.27 0.72 0.54 3.28 94.89 0.53 0.01 0.01 0.01 74 Y H H 28.18 15.00 17.04 32.86 92.87 46.94 -65.94 -42.56 1.93 0.03 98.05 0.40 0.28 1.26 97.26 0.77 0.01 0.01 0.01 75 L H H 14.34 18.75 13.43 32.44 92.16 50.35 -64.35 -42.35 1.32 0.02 98.66 0.30 0.15 0.82 97.77 0.94 0.01 0.01 0.00 76 K H H 129.63 2.87 17.16 20.63 92.33 49.14 -65.47 -40.91 1.96 0.01 98.03 0.23 0.14 1.47 97.43 0.72 0.01 0.01 0.00 77 K H H 135.24 2.41 16.15 19.03 92.23 50.34 -66.95 -33.90 7.99 0.02 91.99 0.23 0.36 7.55 91.20 0.62 0.02 0.00 0.01 78 N C T 60.77 10.12 12.41 23.84 97.07 41.05 -100.02 7.71 84.27 0.07 15.67 0.75 3.09 79.34 15.86 0.85 0.01 0.02 0.08 79 Q C T 141.81 1.85 18.76 20.69 92.78 -122.80 57.79 39.19 98.03 0.04 1.92 3.32 3.09 91.84 1.24 0.46 0.00 0.02 0.03 80 L C C 16.61 19.50 12.15 32.05 99.51 131.72 -101.19 10.55 90.11 0.36 9.53 85.13 2.38 3.55 2.27 6.28 0.00 0.16 0.23 81 R H G 89.35 15.67 14.99 30.13 92.29 105.90 -60.58 -33.02 14.76 0.21 85.03 2.43 1.48 8.99 1.66 85.26 0.00 0.16 0.02 82 D H G 105.28 2.70 21.97 24.97 90.45 62.48 -70.92 -15.94 17.68 0.12 82.20 0.57 1.27 14.54 1.66 81.85 0.00 0.07 0.03 83 W H G 50.19 16.87 17.59 34.49 97.68 53.15 -97.89 -6.90 22.18 0.30 77.51 1.36 2.35 16.97 1.81 77.25 0.00 0.21 0.06 84 I E E 8.11 24.92 15.11 40.15 122.82 80.85 -109.40 134.63 33.90 65.75 0.35 26.92 7.77 0.45 0.11 0.25 0.00 63.22 1.28 85 R E E 83.65 10.77 25.34 35.96 126.56 -170.45 -119.71 143.01 6.85 93.12 0.03 6.17 0.32 0.03 0.01 0.01 0.00 93.37 0.09 86 F E E 54.07 18.68 19.02 36.94 115.05 -130.39 -91.82 127.63 0.85 99.14 0.00 0.80 0.02 0.00 0.00 0.00 0.00 99.14 0.03 87 V E E 37.94 13.76 19.98 34.04 108.48 -171.08 -105.18 -6.28 0.84 99.15 0.01 0.73 0.05 0.01 0.00 0.00 0.00 99.19 0.03 88 S E E 29.81 12.97 15.60 29.47 128.44 -4.20 -135.01 142.53 4.60 95.37 0.02 4.12 0.27 0.04 0.00 0.01 0.00 95.45 0.12 89 T E E 83.83 6.76 15.21 23.40 100.38 -170.49 -98.56 -14.32 40.10 59.81 0.08 17.94 19.73 1.15 0.01 0.08 0.00 60.88 0.22 90 K E E 125.38 2.16 16.65 18.87 127.66 55.22 -119.91 154.92 48.12 51.68 0.20 8.94 35.25 4.10 0.02 0.21 0.00 50.52 0.97 91 T C T 100.42 3.23 14.54 18.92 108.56 -71.23 -65.72 132.30 99.03 0.53 0.44 1.11 23.53 74.44 0.02 0.44 0.00 0.37 0.08 92 N C T 94.33 7.91 15.07 24.05 95.70 5.99 66.66 21.48 99.10 0.61 0.29 1.86 24.07 73.17 0.01 0.34 0.00 0.50 0.06 93 E E E 63.90 8.68 18.28 28.47 125.78 105.70 -120.92 139.55 26.99 72.94 0.06 21.94 4.30 0.31 0.01 0.05 0.00 72.85 0.54 94 Y E E 27.37 20.92 14.08 34.74 131.20 -174.95 -129.87 147.22 5.03 94.97 0.00 4.47 0.15 0.01 0.00 0.00 0.00 95.34 0.03 95 R E E 94.79 8.31 24.60 33.43 125.32 -159.52 -121.09 137.96 0.35 99.65 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.69 0.00 96 L E E 18.79 22.20 15.72 37.80 117.15 -139.93 -94.69 131.31 0.17 99.83 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 97 A E E 32.73 10.31 21.11 32.40 123.76 -169.28 -117.66 140.49 1.56 98.44 0.00 1.42 0.04 0.00 0.00 0.00 0.00 98.52 0.02 98 F E E 74.84 13.90 15.64 29.69 118.95 -138.58 -98.37 139.21 15.11 84.88 0.01 14.25 0.35 0.04 0.00 0.00 0.00 84.94 0.42 99 Y C C 80.33 13.57 16.41 29.87 109.82 -145.35 -93.52 109.56 99.62 0.37 0.01 99.52 0.11 0.05 0.00 0.00 0.00 0.31 0.01