# 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 S C C 55.88 8.46 15.22 24.56 116.90 -135.91 -80.41 151.04 99.90 0.09 0.01 99.79 0.11 0.04 0.00 0.00 0.00 0.05 0.01 1 K C C 103.57 9.43 13.88 24.14 112.84 -147.72 -99.30 121.46 87.85 11.96 0.19 81.84 4.91 0.96 0.05 0.13 0.00 9.77 2.34 2 V E B 81.15 5.99 16.29 23.66 122.47 -151.52 -112.51 137.85 19.80 80.07 0.13 15.97 1.55 0.07 0.10 0.02 0.00 10.89 71.40 3 C C C 16.99 17.62 9.34 27.23 110.17 -114.27 -71.24 129.10 94.00 5.97 0.03 95.13 0.40 0.05 0.01 0.01 0.00 2.96 1.45 4 E C T 134.98 2.96 16.94 20.75 92.95 -144.29 -67.41 -27.32 99.80 0.11 0.09 0.37 4.71 94.75 0.01 0.06 0.00 0.07 0.03 5 I C T 88.43 7.60 14.88 23.39 100.33 42.06 -86.66 -40.97 99.87 0.06 0.07 0.06 1.99 97.86 0.00 0.04 0.00 0.02 0.02 6 S C T 49.22 7.11 13.77 22.43 102.57 19.14 -107.52 -15.38 99.85 0.07 0.07 0.37 3.34 96.19 0.00 0.05 0.00 0.03 0.02 7 G C C 46.63 3.74 14.97 20.09 95.67 -119.35 80.41 5.52 98.93 0.99 0.08 82.03 15.01 1.85 0.02 0.06 0.00 0.47 0.55 8 K C C 90.76 7.40 12.41 21.73 118.30 137.55 -79.40 144.58 81.34 18.55 0.11 72.17 8.65 0.18 0.05 0.05 0.00 3.59 15.31 9 R C C 142.14 4.62 16.63 22.74 121.09 -131.61 -101.96 141.00 62.71 37.17 0.12 54.35 8.40 0.22 0.08 0.06 0.00 18.25 18.63 10 P C C 52.85 14.47 11.33 25.75 115.98 -108.41 -69.62 147.97 80.27 19.67 0.06 73.63 5.41 0.22 0.01 0.04 0.00 19.97 0.72 11 I E E 96.16 6.73 16.13 24.23 118.79 -155.19 -111.62 133.52 27.09 72.83 0.07 22.50 4.43 0.22 0.02 0.06 0.00 71.27 1.50 12 V E E 85.11 7.29 14.64 23.46 123.31 -155.17 -116.94 137.31 7.49 92.49 0.02 6.79 0.58 0.04 0.01 0.01 0.00 92.14 0.44 13 A E E 52.15 9.91 12.09 23.27 129.52 -171.56 -127.83 149.60 5.50 94.47 0.03 4.77 0.44 0.04 0.01 0.01 0.00 94.51 0.22 14 N E E 86.50 6.35 14.35 22.49 127.54 -164.48 -128.73 145.61 6.57 93.39 0.04 5.58 0.62 0.05 0.01 0.02 0.00 93.54 0.18 15 S E E 65.90 6.61 13.07 21.56 122.64 -149.75 -114.96 138.70 10.32 89.52 0.16 9.38 0.73 0.12 0.07 0.07 0.00 89.13 0.51 16 I E E 76.88 8.68 10.96 21.33 120.36 -160.52 -114.36 131.70 19.05 80.44 0.51 18.10 0.92 0.24 0.28 0.21 0.00 78.77 1.49 17 Q C E 119.13 3.57 12.28 17.56 116.35 -155.97 -98.28 138.28 49.54 48.21 2.25 38.02 9.01 2.38 0.82 1.25 0.00 47.21 1.31 18 R C C 151.87 3.90 10.66 16.33 113.39 -129.42 -97.87 123.45 63.42 29.21 7.37 38.14 18.11 8.70 2.71 4.33 0.05 25.58 2.38 19 R C C 160.07 3.22 10.12 15.05 114.19 -145.08 -96.66 126.80 74.09 17.42 8.49 40.99 16.93 17.39 2.88 5.31 0.02 13.99 2.49 20 G C C 47.49 3.85 10.43 15.86 118.31 33.80 -105.71 157.80 82.46 10.03 7.52 38.16 25.34 20.15 2.76 4.48 0.02 7.04 2.04 21 K C C 140.17 2.97 10.74 15.30 113.71 -80.30 -93.91 129.72 78.20 11.66 10.14 52.80 17.83 7.61 6.34 3.98 0.03 7.57 3.85 22 A C C 64.02 5.69 8.91 16.29 112.42 -127.91 -77.99 139.52 71.86 12.10 16.04 53.10 10.71 7.54 10.94 5.52 0.02 9.28 2.90 23 K C C 145.86 2.60 10.57 14.63 105.59 -137.60 -86.98 39.77 63.24 17.82 18.94 42.59 11.84 8.88 12.54 6.53 0.06 13.90 3.66 24 R C C 150.70 3.43 8.96 14.23 113.43 59.34 -98.42 127.82 53.08 28.42 18.49 35.91 9.62 7.51 12.10 6.70 0.16 21.88 6.12 25 E C C 136.20 2.73 8.88 13.39 111.11 -154.58 -93.30 123.40 53.48 28.55 17.96 28.08 12.74 14.66 10.63 7.03 0.52 19.72 6.63 26 G C T 56.24 2.27 9.21 12.91 112.30 -5.04 61.94 147.13 79.04 9.02 11.95 22.45 20.81 36.98 4.23 7.04 0.06 5.89 2.54 27 G C T 58.04 1.60 10.09 12.59 109.05 -26.47 73.74 -124.91 85.53 4.55 9.92 19.47 25.89 40.89 2.15 7.29 0.02 2.72 1.57 28 V C T 118.33 1.66 9.62 12.23 104.95 14.16 -89.48 28.87 78.48 13.03 8.49 19.93 24.99 34.98 2.03 5.87 0.09 8.31 3.80 29 G C C 46.51 4.51 9.18 15.32 108.16 57.37 -44.10 18.15 74.06 19.78 6.16 29.19 25.32 21.59 1.46 4.49 0.04 14.41 3.51 30 K C C 138.88 2.92 11.68 16.03 106.81 75.56 -86.49 52.25 67.15 27.24 5.61 43.54 15.64 8.23 2.09 3.85 0.03 20.97 5.66 31 K C C 124.56 5.16 11.26 17.94 109.77 68.78 -83.37 107.44 64.93 30.78 4.29 48.24 11.00 4.58 1.95 2.70 0.02 23.67 7.84 32 T C C 78.80 6.49 11.79 19.70 104.97 -163.12 -98.39 3.84 73.09 24.19 2.72 60.85 8.16 2.84 1.30 1.57 0.00 18.43 6.84 33 T C C 76.40 6.85 12.20 20.32 111.20 62.01 -95.04 114.26 80.63 17.17 2.20 57.21 16.74 6.62 0.70 1.58 0.00 14.15 3.00 34 G C C 39.38 5.75 15.05 21.78 118.01 -114.03 -17.36 152.19 75.63 23.44 0.93 50.49 19.35 5.81 0.17 0.86 0.00 21.62 1.71 35 I E E 91.79 9.18 12.55 22.75 119.43 -138.79 -107.53 132.79 47.38 52.32 0.31 41.60 3.94 0.47 0.14 0.20 0.00 43.99 9.65 36 S E E 49.36 7.31 13.45 22.44 123.68 -166.03 -108.50 146.88 41.75 58.15 0.10 37.96 2.73 0.23 0.04 0.07 0.00 55.42 3.55 37 K E E 131.03 5.76 14.08 21.73 115.74 -134.12 -93.85 130.86 38.66 61.30 0.04 33.98 3.41 0.22 0.01 0.04 0.00 61.45 0.90 38 R E E 104.80 8.56 13.86 23.89 128.52 144.34 -124.83 148.34 20.60 79.38 0.02 19.66 0.79 0.05 0.00 0.02 0.00 78.65 0.84 39 R E E 130.75 7.34 16.01 24.92 120.33 -139.37 -105.89 133.30 9.86 90.13 0.02 9.49 0.36 0.03 0.01 0.01 0.00 87.97 2.13 40 Q E E 50.19 14.25 14.09 28.90 126.25 -171.02 -121.36 143.87 17.15 82.82 0.03 16.09 0.79 0.05 0.01 0.02 0.00 77.00 6.03 41 Y C C 127.31 6.69 20.92 28.25 114.50 -136.22 -102.22 122.06 78.77 21.21 0.02 75.83 2.38 0.07 0.00 0.02 0.00 21.24 0.46 42 P C C 26.07 19.69 14.89 33.81 116.19 -124.87 -72.21 149.77 84.75 15.02 0.23 60.51 19.16 3.57 0.02 0.30 0.00 16.03 0.41 43 N E E 58.74 9.89 21.21 31.56 107.15 -128.22 -84.06 108.31 49.38 50.35 0.27 36.07 9.15 2.93 0.02 0.31 0.00 50.49 1.03 44 L E E 47.04 16.82 15.63 32.21 119.42 -158.57 -101.84 132.99 14.12 85.86 0.01 13.30 0.61 0.03 0.00 0.01 0.00 85.71 0.34 45 Q E E 54.69 10.90 18.22 30.33 128.17 -173.19 -125.46 145.06 1.79 98.21 0.00 1.64 0.09 0.01 0.00 0.00 0.00 98.22 0.04 46 K E E 111.21 7.43 18.92 27.39 115.16 -123.67 -87.65 130.63 0.74 99.26 0.00 0.66 0.03 0.00 0.00 0.00 0.00 99.30 0.00 47 V E E 20.96 16.51 13.35 30.68 131.55 -177.34 -132.53 150.70 0.46 99.54 0.00 0.42 0.01 0.00 0.00 0.00 0.00 99.57 0.00 48 R E E 120.91 5.72 19.98 26.60 116.97 -131.21 -101.12 129.70 0.30 99.70 0.00 0.27 0.00 0.00 0.00 0.00 0.00 99.73 0.00 49 V E E 17.51 17.51 12.10 30.05 130.70 -175.31 -130.01 151.78 0.39 99.61 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.65 0.00 50 R E E 125.59 4.49 16.61 22.34 114.58 -130.41 -98.28 126.02 1.72 98.28 0.01 1.42 0.08 0.01 0.00 0.00 0.00 98.46 0.02 51 V E E 45.36 12.90 8.97 22.34 118.40 176.62 -127.85 119.07 6.29 93.63 0.08 3.96 1.49 0.48 0.01 0.06 0.00 93.72 0.27 52 A C T 95.88 1.41 12.15 14.15 93.37 -15.84 52.10 42.76 99.30 0.43 0.26 0.62 4.02 94.78 0.02 0.21 0.00 0.32 0.03 53 G C T 66.59 0.61 11.52 11.37 95.26 -49.56 80.49 2.28 99.66 0.12 0.23 0.62 4.42 94.67 0.02 0.18 0.00 0.08 0.01 54 Q E E 111.73 2.42 11.79 15.93 125.01 104.15 -113.49 145.00 7.75 92.21 0.04 4.60 2.83 0.30 0.01 0.02 0.00 91.89 0.35 55 E E E 120.88 5.32 11.53 18.97 113.99 -119.11 -83.34 129.58 3.75 96.24 0.01 3.26 0.13 0.01 0.00 0.00 0.00 96.55 0.03 56 I E E 53.89 10.08 12.86 24.76 125.84 -174.46 -124.33 142.74 0.94 99.05 0.01 0.82 0.03 0.00 0.01 0.00 0.00 99.13 0.01 57 T E E 74.32 8.26 16.32 25.95 121.93 -146.14 -112.26 135.46 0.29 99.70 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.73 0.00 58 F E E 41.34 15.26 15.80 31.92 128.70 -174.79 -131.16 144.74 0.20 99.79 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.82 0.00 59 R E E 111.33 9.21 22.15 31.81 116.79 -133.48 -97.14 129.43 0.18 99.82 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 60 V E E 9.15 21.19 17.06 38.46 134.08 172.67 -134.61 155.30 0.79 99.21 0.00 0.73 0.01 0.00 0.00 0.00 0.00 99.23 0.02 61 A E E 18.78 11.58 21.05 33.92 116.79 -106.92 -72.67 148.01 15.94 83.99 0.07 15.82 0.29 0.02 0.03 0.02 0.00 83.47 0.34 62 A H H 32.03 14.70 16.61 31.93 91.52 -119.79 -59.95 -35.04 24.18 0.50 75.32 2.02 2.50 18.48 40.63 35.72 0.08 0.44 0.12 63 S H H 68.04 3.82 22.20 26.06 91.51 59.23 -65.55 -32.26 21.46 0.23 78.31 0.95 1.48 18.04 45.19 34.02 0.07 0.18 0.08 64 H H H 47.22 12.78 17.72 31.14 95.45 46.90 -79.70 -32.74 16.35 0.30 83.36 1.79 1.69 11.23 48.27 36.67 0.05 0.22 0.09 65 I H H 20.14 21.52 14.46 35.25 93.16 59.80 -63.64 -42.07 19.93 1.49 78.58 7.54 3.59 8.62 52.88 25.83 0.08 1.07 0.38 66 P H H 74.00 6.46 19.49 26.62 91.77 54.03 -66.15 -33.28 34.36 1.52 64.12 6.63 3.88 21.61 41.35 24.79 0.14 1.19 0.42 67 K H H 116.04 3.67 20.08 23.71 94.10 48.80 -78.51 -23.38 38.11 2.60 59.29 10.64 6.00 20.54 37.18 22.87 0.14 1.90 0.72 68 V H H 26.07 18.00 14.35 32.01 94.57 68.49 -66.29 -38.80 39.05 6.39 54.57 26.19 8.14 6.40 47.87 5.60 0.05 4.31 1.46 69 Y H H 95.60 12.20 17.00 29.04 93.09 58.39 -65.44 -39.26 29.70 6.74 63.56 19.49 5.02 6.55 55.61 6.44 0.05 5.93 0.92 70 E H H 113.77 2.99 20.19 22.81 93.14 52.88 -67.44 -38.14 23.36 9.28 67.36 14.06 4.22 6.21 58.56 6.88 0.06 9.15 0.86 71 L H H 58.35 9.84 17.51 28.17 94.83 46.78 -72.03 -37.59 21.97 12.59 65.44 13.97 3.64 5.20 57.90 5.87 0.06 12.31 1.05 72 V H H 26.12 17.60 13.62 30.88 95.31 52.37 -71.16 -36.55 24.99 15.63 59.38 17.03 3.86 4.76 54.14 4.22 0.05 14.53 1.41 73 E H H 98.82 6.10 17.86 24.70 94.15 57.71 -67.36 -37.08 28.83 15.07 56.10 19.21 4.46 5.71 51.21 4.12 0.06 13.73 1.49 74 R H H 133.29 4.68 17.06 22.44 94.15 52.99 -71.00 -30.08 35.64 10.99 53.36 22.12 5.94 8.41 47.80 4.61 0.08 9.58 1.46 75 A C H 37.50 12.83 11.61 24.74 96.38 57.64 -79.17 -15.77 48.84 6.52 44.63 29.03 7.75 12.68 39.47 4.79 0.07 4.81 1.41 76 K C T 132.25 5.30 13.69 20.50 103.76 80.63 -73.18 55.82 70.34 2.02 27.64 14.75 11.00 43.33 23.40 5.50 0.07 1.17 0.80 77 G C T 60.57 1.66 15.30 16.92 98.85 -3.03 79.94 0.95 82.83 1.37 15.80 19.83 13.55 49.70 10.76 4.80 0.01 0.80 0.55 78 L C C 66.08 11.36 9.84 21.88 115.84 125.01 -87.24 138.21 79.40 6.92 13.67 51.89 17.35 9.86 8.61 5.44 0.01 4.68 2.17 79 K C C 138.30 3.24 16.39 20.70 111.12 -137.11 -88.46 123.38 74.56 12.81 12.63 56.11 9.45 8.08 7.78 5.30 0.01 9.77 3.50 80 L C C 60.54 15.11 9.63 23.92 103.09 -159.72 -91.47 11.42 76.59 11.02 12.39 60.38 8.88 6.51 6.79 5.92 0.00 8.08 3.43 81 E C C 137.45 3.06 14.08 18.70 109.18 130.26 -74.50 128.48 83.64 6.73 9.62 35.88 14.58 34.29 4.23 4.76 0.01 4.56 1.68 82 G C T 61.40 1.51 14.89 16.27 99.31 15.93 81.67 0.93 90.20 3.48 6.33 31.85 21.10 38.07 1.78 4.09 0.00 2.22 0.88 83 L C C 52.79 12.88 7.91 20.97 119.50 127.53 -87.14 145.07 94.00 3.93 2.07 70.10 22.33 1.47 1.33 0.76 0.00 1.57 2.44 84 S C C 58.05 2.28 16.71 18.64 118.33 -115.83 -73.75 155.96 97.45 0.84 1.71 92.65 4.29 0.52 1.56 0.23 0.00 0.34 0.42 85 P H H 84.73 6.91 11.39 19.99 91.81 -110.08 -57.39 -37.88 5.30 0.04 94.66 2.45 0.82 1.98 93.62 1.09 0.00 0.02 0.01 86 K H H 139.86 1.42 15.46 16.44 91.85 53.20 -64.94 -39.48 2.64 0.03 97.33 0.94 0.32 1.32 96.13 1.26 0.00 0.02 0.00 87 E H H 94.35 3.06 16.06 19.64 92.08 49.69 -65.74 -40.16 1.31 0.03 98.65 0.60 0.17 0.57 97.47 1.16 0.00 0.02 0.00 88 I H H 34.96 12.14 12.38 25.90 91.93 50.73 -64.11 -42.46 0.62 0.02 99.36 0.27 0.07 0.25 99.03 0.37 0.00 0.01 0.00 89 K H H 97.88 5.94 16.44 23.63 91.58 51.12 -63.25 -40.82 0.63 0.02 99.35 0.24 0.05 0.28 99.11 0.30 0.00 0.02 0.00 90 K H H 116.15 1.80 18.16 18.98 91.89 50.25 -64.40 -41.12 0.78 0.02 99.19 0.25 0.06 0.39 98.84 0.43 0.00 0.02 0.00 91 E H H 78.68 5.14 16.22 22.72 92.15 49.98 -64.93 -40.74 1.46 0.03 98.51 0.38 0.12 0.83 97.93 0.72 0.00 0.03 0.00 92 L H H 44.86 11.59 12.87 25.62 92.29 51.25 -64.98 -40.16 2.88 0.04 97.07 0.66 0.23 1.78 95.79 1.49 0.00 0.03 0.01 93 L H H 90.87 4.44 14.08 19.94 91.96 52.52 -65.43 -35.54 8.46 0.07 91.46 1.30 0.57 6.19 87.03 4.83 0.01 0.05 0.02 94 K H H 147.68 1.42 14.44 15.77 92.56 53.94 -68.64 -29.90 30.73 0.15 69.11 2.21 1.42 26.52 65.07 4.60 0.02 0.08 0.08 95 L C H 90.39 6.36 11.51 19.25 95.42 54.59 -78.03 -20.51 50.78 0.30 48.91 12.77 1.31 35.05 47.31 3.25 0.00 0.12 0.20 96 L C C 82.87 9.99 11.67 22.08 101.81 74.24 -79.29 1.63 99.82 0.08 0.10 99.53 0.18 0.15 0.07 0.01 0.00 0.03 0.02