# 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 A C C 53.16 10.56 13.99 25.01 114.31 -150.98 -95.85 129.86 99.71 0.27 0.02 99.69 0.10 0.03 0.01 0.00 0.00 0.14 0.02 1 L C C 103.62 4.97 14.10 20.52 114.24 -144.38 -97.43 125.62 81.83 14.18 3.99 78.06 1.89 2.03 2.05 1.39 0.00 11.48 3.10 2 A C C 58.30 8.89 11.28 21.27 110.70 -132.31 -76.66 132.92 73.90 17.70 8.40 56.42 9.41 7.77 2.70 5.46 0.01 15.27 2.96 3 Y C C 124.25 8.31 12.40 21.73 111.84 -159.49 -93.17 121.46 73.96 17.77 8.27 53.32 11.45 9.11 2.65 5.57 0.01 14.56 3.35 4 R C C 146.77 5.31 14.97 21.59 107.65 -139.55 -95.19 76.56 75.18 16.30 8.52 42.24 21.74 12.60 2.55 5.48 0.03 12.71 2.65 5 T C C 64.71 10.35 13.93 24.95 115.51 109.80 -99.32 137.46 78.04 18.25 3.70 37.75 30.25 10.93 0.81 2.68 0.01 15.76 1.80 6 R C C 116.09 8.91 18.22 27.62 115.98 -147.94 -96.47 135.47 67.07 31.03 1.90 51.26 11.26 3.82 0.47 1.45 0.00 29.93 1.80 7 A E E 33.98 18.05 14.51 31.54 122.96 -157.54 -109.96 142.75 41.27 58.13 0.60 33.58 6.81 0.93 0.16 0.38 0.00 57.27 0.87 8 F E E 63.73 12.44 20.25 33.22 128.66 -166.12 -126.87 143.54 10.83 88.95 0.22 9.61 0.98 0.17 0.07 0.09 0.00 88.76 0.33 9 Q E E 84.74 13.46 18.37 31.65 123.17 -152.48 -114.82 134.79 5.31 94.62 0.07 5.03 0.26 0.04 0.02 0.02 0.00 94.49 0.14 10 L E E 31.77 16.39 17.63 34.40 126.26 -172.21 -125.96 137.45 4.22 95.73 0.06 3.97 0.26 0.03 0.02 0.02 0.00 95.55 0.15 11 S E E 64.47 6.27 22.88 29.87 115.79 -137.23 -93.34 132.38 8.02 91.88 0.10 7.55 0.48 0.07 0.04 0.04 0.00 91.42 0.40 12 L C C 14.78 23.16 10.73 33.23 122.23 -161.36 -109.56 137.88 55.56 44.21 0.22 53.08 1.48 0.22 0.07 0.11 0.00 43.92 1.11 13 D C C 83.13 3.32 21.25 24.13 121.40 -148.40 -99.08 159.29 91.43 8.20 0.37 88.11 2.95 0.42 0.16 0.15 0.00 7.44 0.77 14 Q H G 112.34 8.16 13.32 22.66 93.77 -101.17 -60.18 -36.27 34.10 0.41 65.49 3.71 5.07 24.26 21.64 44.85 0.03 0.23 0.21 15 S H G 89.86 1.23 17.46 17.77 92.45 56.94 -70.12 -24.62 31.19 0.16 68.66 1.65 2.56 25.61 22.90 47.09 0.02 0.08 0.09 16 K H G 71.58 12.12 14.67 27.24 96.74 48.38 -89.84 -12.10 24.61 0.32 75.07 3.78 3.17 16.31 26.07 50.33 0.01 0.18 0.14 17 L H H 14.34 23.14 11.22 33.42 92.36 77.29 -65.15 -36.32 21.49 0.35 78.17 10.84 3.66 6.75 53.70 24.71 0.01 0.18 0.15 18 P H G 86.60 5.22 19.45 25.78 90.88 65.49 -63.39 -28.47 12.45 0.19 87.36 3.02 1.30 7.16 42.34 45.99 0.00 0.14 0.04 19 N H G 97.05 4.80 21.57 26.87 91.12 60.89 -71.48 -19.86 14.45 0.13 85.41 1.72 1.23 10.03 41.04 45.84 0.01 0.09 0.04 20 L H G 5.05 24.41 13.87 38.95 95.67 50.66 -92.06 -13.46 25.22 0.28 74.50 3.06 2.28 17.91 37.39 39.01 0.03 0.16 0.18 21 V C T 59.74 14.64 16.37 31.24 111.88 113.35 -62.75 130.74 94.04 0.39 5.57 0.88 2.15 91.08 4.63 0.84 0.00 0.17 0.25 22 G C T 50.01 3.27 21.74 25.64 93.87 20.35 84.69 -3.61 99.03 0.05 0.93 0.83 1.85 96.52 0.38 0.37 0.00 0.02 0.01 23 T C C 35.50 16.85 14.46 31.21 119.92 130.82 -77.79 148.97 99.51 0.48 0.01 97.39 2.15 0.02 0.00 0.00 0.00 0.21 0.23 24 K E B 105.36 5.65 24.16 30.47 127.29 -142.42 -108.14 155.79 43.30 56.66 0.03 41.89 0.37 0.02 0.02 0.01 0.00 4.30 53.39 25 I C T 44.31 19.14 14.80 33.81 110.01 -84.78 -60.21 133.83 99.54 0.41 0.05 0.09 0.89 98.78 0.00 0.03 0.00 0.14 0.08 26 G C T 35.31 7.87 20.89 29.51 95.79 24.57 89.67 -6.04 99.93 0.05 0.01 0.08 0.98 98.90 0.00 0.01 0.00 0.03 0.00 27 D C C 48.50 10.89 18.04 30.24 118.58 129.50 -72.22 147.85 98.37 1.63 0.00 96.19 2.32 0.02 0.00 0.00 0.00 1.40 0.07 28 V E E 79.41 9.26 20.73 30.69 117.61 -131.68 -100.99 129.65 1.39 98.61 0.00 1.46 0.03 0.00 0.00 0.00 0.00 93.45 5.04 29 I E E 15.51 21.12 14.74 35.87 127.53 -174.24 -123.21 143.85 2.68 97.32 0.00 2.69 0.05 0.00 0.00 0.00 0.00 97.07 0.18 30 D E E 69.13 5.65 23.55 29.47 107.80 -121.11 -85.23 117.49 25.75 74.08 0.17 25.23 0.72 0.11 0.04 0.09 0.00 73.23 0.58 31 I H G 13.78 22.64 12.16 35.00 95.31 -171.38 -75.50 -14.07 29.23 11.02 59.75 15.32 6.45 9.60 10.22 47.35 0.10 9.91 1.04 32 N H G 103.42 4.13 18.60 24.18 91.23 85.77 -62.98 -31.98 19.22 6.63 74.15 7.91 4.10 8.86 8.64 63.84 0.05 5.94 0.66 33 V H G 74.43 8.45 16.81 26.24 91.35 59.46 -68.63 -26.28 18.63 2.59 78.79 3.12 3.59 12.59 6.61 71.55 0.06 2.17 0.33 34 S H G 23.54 17.36 13.46 30.85 94.63 46.58 -92.40 0.80 33.74 0.47 65.79 1.12 3.20 28.16 5.44 61.49 0.07 0.25 0.28 35 G C T 54.24 2.04 20.73 22.19 95.19 -105.07 83.68 11.02 95.57 0.95 3.48 6.13 9.56 79.39 0.52 3.46 0.00 0.63 0.31 36 V C C 27.05 18.12 10.53 28.28 118.56 130.50 -100.50 135.88 84.94 13.93 1.13 66.93 11.74 6.40 0.37 0.86 0.00 8.17 5.54 37 N C C 116.06 2.49 21.04 23.25 99.68 -138.76 -85.01 31.29 86.96 12.73 0.31 70.12 13.59 2.55 0.06 0.30 0.00 12.49 0.89 38 L C C 34.82 15.92 15.38 31.70 130.12 104.04 -115.58 153.25 66.88 33.03 0.09 58.19 6.45 0.48 0.01 0.09 0.00 34.03 0.76 39 K E E 90.96 9.77 23.58 33.46 120.06 -129.72 -101.71 134.17 17.05 82.94 0.01 16.04 0.54 0.02 0.00 0.01 0.00 83.03 0.35 40 L E E 6.71 24.79 16.69 41.97 124.26 -164.77 -116.55 137.15 0.94 99.05 0.00 0.90 0.02 0.00 0.00 0.00 0.00 99.04 0.04 41 K E E 80.24 9.29 27.38 37.39 116.64 -143.49 -100.11 128.62 0.38 99.62 0.00 0.38 0.00 0.00 0.00 0.00 0.00 99.59 0.03 42 I E E 4.68 25.97 16.73 43.71 112.10 -138.31 -89.20 123.41 8.23 91.76 0.01 8.19 0.15 0.01 0.00 0.01 0.00 91.22 0.42 43 T C E 52.15 10.04 25.76 36.03 105.84 175.30 -107.40 -9.61 52.51 47.42 0.07 44.46 5.17 0.60 0.01 0.07 0.00 49.08 0.61 44 G C C 20.45 14.11 23.58 36.78 129.65 -30.05 127.45 -108.18 76.06 23.84 0.10 40.73 32.47 2.58 0.01 0.13 0.00 23.07 1.00 45 G C C 14.19 18.27 20.51 37.54 136.04 136.44 -103.52 173.18 68.76 31.05 0.19 54.37 12.95 1.10 0.05 0.19 0.00 27.19 4.16 46 S E B 29.75 13.72 21.03 35.03 132.81 -131.68 -130.91 154.85 25.81 73.95 0.24 22.36 1.38 0.10 0.18 0.05 0.00 17.17 58.76 47 D C C 49.18 15.49 16.17 30.91 115.16 -136.28 -84.67 -96.35 90.56 7.84 1.60 82.59 4.12 3.62 0.31 1.36 0.00 4.54 3.46 48 N C T 127.49 2.46 18.35 21.45 92.57 -79.66 -68.88 -18.10 97.04 0.54 2.42 0.88 4.69 90.81 0.05 3.04 0.00 0.36 0.16 49 S C T 60.17 6.64 16.70 24.46 93.76 55.03 -92.08 0.35 96.78 0.23 2.99 0.47 4.32 91.33 0.05 3.62 0.00 0.12 0.08 50 G C S 33.36 8.22 18.16 27.50 96.15 -103.89 88.27 7.86 97.73 1.11 1.16 14.86 78.33 4.38 0.07 1.27 0.00 0.44 0.66 51 F C C 37.97 17.22 17.29 34.78 117.77 135.33 -87.60 137.66 92.92 6.99 0.09 79.87 13.07 0.33 0.03 0.06 0.00 3.36 3.28 52 S E B 28.50 12.86 23.37 36.66 114.86 -114.13 -70.12 145.10 38.08 61.70 0.23 32.92 2.30 0.20 0.13 0.09 0.00 11.12 53.24 53 M C C 26.17 22.46 16.35 38.19 115.49 -122.74 -86.43 139.95 82.55 17.13 0.32 72.32 9.47 0.71 0.12 0.25 0.00 10.01 7.12 54 R C C 80.81 12.33 19.89 32.38 122.05 -157.01 -111.87 135.45 77.25 22.49 0.26 71.34 5.37 0.47 0.10 0.18 0.00 12.21 10.32 55 F C T 124.67 7.84 17.84 26.47 107.86 -122.44 -73.75 140.46 80.07 18.90 1.03 25.79 24.99 30.76 0.10 1.02 0.00 15.74 1.60 56 D C T 112.14 2.74 18.69 21.73 97.45 27.58 47.48 25.10 81.34 17.84 0.82 27.80 22.57 31.91 0.07 0.90 0.00 15.40 1.36 57 V C C 32.95 17.47 9.32 26.18 113.69 137.24 -90.95 122.81 70.67 28.44 0.88 51.80 15.76 2.08 0.29 0.75 0.00 20.44 8.88 58 G C C 48.65 3.63 17.52 22.01 113.51 -138.65 -78.08 142.63 82.72 16.03 1.25 66.12 9.20 6.55 0.26 1.23 0.00 12.26 4.39 59 G C T 41.24 7.39 12.54 21.12 123.75 88.06 131.81 -172.68 89.36 7.32 3.32 23.95 30.64 35.18 0.33 3.34 0.00 4.78 1.77 60 G C S 56.81 3.25 15.43 19.48 99.79 -39.75 -80.17 1.09 91.43 4.58 4.00 20.87 35.68 34.81 0.34 4.20 0.00 2.92 1.18 61 A C S 58.66 5.83 14.55 21.77 124.58 84.84 -109.62 155.16 86.42 10.38 3.20 24.14 48.55 14.01 0.41 2.95 0.00 7.64 2.29 62 K C C 109.29 9.74 14.97 25.42 113.30 -105.52 -78.21 130.27 75.79 22.41 1.80 54.02 14.50 6.59 0.30 1.80 0.00 20.66 2.13 63 R E E 89.73 12.66 17.13 29.90 127.35 -171.90 -122.38 141.90 48.75 50.81 0.44 40.85 6.80 0.86 0.13 0.34 0.00 48.97 2.05 64 K E E 82.32 12.80 20.36 32.94 119.57 -131.86 -100.31 133.03 20.05 79.55 0.40 18.21 1.62 0.37 0.17 0.22 0.00 78.00 1.42 65 I E E 23.19 19.54 19.30 38.52 123.10 -161.23 -114.59 134.41 10.65 89.01 0.33 10.16 0.61 0.18 0.17 0.15 0.00 87.19 1.53 66 L E E 34.08 16.53 22.90 39.13 112.15 -132.38 -88.71 125.44 18.32 81.34 0.34 16.04 1.96 0.39 0.13 0.21 0.00 79.70 1.57 67 V E E 21.87 19.56 18.86 37.91 121.30 -167.52 -112.92 136.00 37.12 62.43 0.45 31.42 4.59 0.81 0.16 0.34 0.00 58.81 3.88 68 S C C 40.89 12.49 19.35 31.94 119.56 -168.20 -109.35 151.64 66.27 33.36 0.37 52.55 11.07 2.12 0.09 0.34 0.00 30.68 3.15 69 G C S 33.12 8.79 19.02 28.06 127.13 28.12 -98.44 167.94 89.59 10.17 0.24 35.70 49.86 4.53 0.04 0.25 0.00 8.07 1.55 70 P C S 66.39 6.73 18.30 25.63 120.43 -40.92 -73.98 162.21 95.29 4.14 0.57 29.87 53.52 12.04 0.07 0.57 0.00 2.52 1.40 71 P C T 81.23 8.16 17.17 26.13 109.37 -67.48 -64.17 135.33 97.76 1.27 0.98 6.70 18.56 72.26 0.07 1.11 0.00 0.92 0.37 72 G C T 29.53 11.14 17.86 29.14 100.28 21.51 89.69 -5.46 94.54 4.42 1.04 11.07 18.21 65.12 0.09 1.18 0.00 3.65 0.67 73 Y C C 59.68 14.56 14.55 29.48 120.73 107.85 -102.79 138.73 57.48 41.82 0.70 42.07 14.42 1.24 0.36 0.44 0.01 19.27 22.20 74 Y C C 123.26 6.38 18.75 26.12 116.02 -162.75 -114.00 117.93 77.95 21.86 0.19 68.22 8.65 0.53 0.07 0.15 0.00 18.45 3.92 75 P C C 45.26 13.61 10.82 24.87 114.38 -120.90 -70.18 145.93 64.11 34.65 1.24 57.20 3.71 0.96 0.66 0.63 0.00 18.16 18.68 76 K C C 129.73 3.87 13.41 18.45 104.04 -141.56 -81.78 -22.22 86.19 9.31 4.49 69.52 10.78 4.83 1.01 4.07 0.00 5.58 4.21 77 E C T 142.08 1.76 11.38 13.93 112.46 -22.36 -96.84 122.94 73.49 8.64 17.87 10.12 20.25 44.10 1.44 15.76 0.07 5.57 2.69 78 D C T 125.80 1.12 12.27 13.28 101.85 -11.20 -70.14 51.93 84.98 1.16 13.86 4.60 11.94 67.03 0.83 14.38 0.00 0.76 0.46 79 G C S 44.09 5.94 11.59 18.69 98.45 -57.52 82.74 1.53 86.69 5.24 8.07 23.77 32.37 30.10 0.59 8.42 0.00 3.38 1.38 80 L C C 76.85 6.20 13.39 21.41 117.73 136.40 -89.76 139.77 77.30 21.99 0.71 66.05 9.05 1.44 0.28 0.51 0.00 16.12 6.55 81 R C C 105.91 10.67 13.32 24.78 116.84 -131.62 -89.61 135.14 50.90 48.42 0.67 44.44 3.79 0.78 0.37 0.38 0.00 32.41 17.84 82 R C C 98.83 10.09 16.02 26.91 119.34 -155.47 -98.02 139.37 72.80 26.79 0.42 62.91 8.02 1.03 0.14 0.32 0.00 23.64 3.93 83 K C C 100.27 10.36 17.05 27.71 115.27 -111.65 -89.92 136.33 73.69 25.96 0.35 66.38 6.05 0.71 0.13 0.25 0.00 20.97 5.51 84 R C C 81.03 14.65 16.49 30.96 122.37 -163.30 -110.45 141.56 74.14 25.57 0.29 65.31 7.19 0.72 0.09 0.24 0.00 23.68 2.76 85 T C C 57.74 10.13 21.70 32.18 122.78 -144.18 -112.75 140.10 52.86 46.77 0.37 43.06 8.86 0.67 0.16 0.27 0.00 40.09 6.88 86 V E E 25.69 20.38 15.76 35.99 118.01 -153.59 -104.07 128.14 44.11 55.50 0.39 39.07 3.44 0.51 0.20 0.26 0.00 45.59 10.92 87 R C C 107.86 9.21 20.82 30.61 120.12 -168.49 -108.18 137.53 62.28 36.30 1.43 43.59 10.95 8.27 0.32 1.32 0.01 31.26 4.27 88 G C S 28.34 10.63 20.61 31.22 117.22 -10.08 90.55 -166.89 85.56 12.23 2.21 26.12 30.09 29.65 0.18 2.39 0.00 10.00 1.58 89 N C S 62.35 16.21 17.32 32.57 99.02 -75.04 -86.17 16.12 85.76 12.59 1.65 22.04 44.26 19.05 0.11 1.98 0.00 11.59 0.97 90 M E E 89.08 7.39 23.36 31.62 122.64 98.67 -112.23 137.29 32.07 67.36 0.57 20.27 9.94 3.34 0.15 0.65 0.00 58.49 7.16 91 I E E 28.54 22.37 14.05 35.57 120.63 -156.24 -105.30 134.13 29.11 70.80 0.09 24.20 3.41 0.20 0.05 0.06 0.00 59.08 13.00 92 T C C 41.62 9.38 19.90 30.11 128.03 -147.13 -107.72 160.35 89.46 10.46 0.07 87.51 1.85 0.21 0.01 0.06 0.00 9.64 0.71 93 P C T 94.67 6.28 18.07 25.67 90.90 -107.67 -63.09 -23.55 93.23 3.61 3.16 3.53 17.86 71.44 0.10 3.55 0.00 3.22 0.30 94 E C T 101.54 7.02 20.06 27.83 92.71 60.82 -83.59 -5.88 92.07 4.12 3.81 7.80 12.43 70.99 0.14 4.36 0.00 3.99 0.29 95 I C C 14.95 22.56 14.27 37.09 111.59 109.21 -76.52 124.46 59.43 40.16 0.41 54.18 4.04 0.45 0.08 0.37 0.00 37.24 3.65 96 V C C 48.16 11.48 24.28 36.34 101.95 174.63 -101.96 -27.95 61.12 38.84 0.04 53.71 6.28 0.12 0.01 0.03 0.00 39.41 0.45 97 Q E E 30.15 16.57 24.84 41.17 135.54 14.56 -146.00 144.27 7.90 92.06 0.04 7.19 0.50 0.04 0.01 0.02 0.00 92.00 0.25 98 I E E 5.43 25.66 21.91 47.64 122.74 -162.19 -122.13 129.85 2.01 97.98 0.01 1.97 0.06 0.00 0.00 0.00 0.00 97.91 0.05 99 N E E 25.30 15.98 27.16 43.01 119.49 -159.31 -108.85 131.22 3.30 96.69 0.01 2.83 0.20 0.01 0.00 0.00 0.00 96.93 0.02 100 T E E 5.92 25.05 20.64 45.57 127.16 -171.17 -124.05 140.72 3.37 96.63 0.00 2.90 0.19 0.00 0.00 0.00 0.00 96.90 0.02 101 I E E 38.13 12.64 25.93 39.11 122.29 -162.66 -118.80 131.77 0.58 99.42 0.00 0.55 0.01 0.00 0.00 0.00 0.00 99.43 0.01 102 M E E 29.12 19.47 18.02 37.42 114.89 -144.19 -97.30 125.10 0.91 99.09 0.00 0.90 0.01 0.00 0.00 0.00 0.00 99.05 0.03 103 I E E 54.50 11.28 17.71 30.05 121.37 -169.58 -110.56 136.13 8.27 91.72 0.01 8.29 0.15 0.01 0.00 0.00 0.00 91.21 0.33 104 R C C 137.65 6.56 17.89 25.47 113.34 -111.61 -86.57 131.58 95.23 4.77 0.00 95.35 0.15 0.02 0.00 0.00 0.00 4.42 0.05