# 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 V C C 69.91 10.12 12.30 23.31 121.77 -169.46 -112.25 136.12 99.57 0.42 0.01 99.59 0.11 0.03 0.00 0.00 0.00 0.24 0.03 1 N C C 121.61 2.01 15.06 17.81 109.52 -138.02 -91.35 113.05 87.70 12.18 0.12 86.52 1.25 0.56 0.04 0.06 0.00 7.72 3.85 2 V C C 61.21 12.45 8.62 21.33 117.21 -162.72 -98.56 132.20 89.63 10.29 0.08 77.83 11.77 0.32 0.02 0.06 0.00 8.29 1.72 3 P C C 56.50 7.35 12.40 21.72 114.92 -108.62 -65.02 149.81 92.59 6.80 0.61 90.25 1.77 0.96 0.13 0.39 0.00 5.36 1.14 4 K C S 153.87 2.68 13.98 18.12 95.77 -133.69 -72.91 -25.98 92.84 6.25 0.90 16.28 63.14 13.36 0.10 0.85 0.00 5.59 0.68 5 T C E 77.20 4.81 15.12 21.39 128.58 26.59 -132.15 144.34 66.02 32.59 1.38 27.01 26.67 14.08 0.13 1.37 0.00 29.55 1.18 6 R E E 94.50 10.94 13.11 25.06 128.80 -174.76 -135.30 147.52 47.04 52.61 0.34 41.54 4.35 0.50 0.05 0.30 0.00 52.33 0.93 7 R E E 119.46 7.78 16.26 25.23 117.47 -126.24 -93.51 136.17 15.59 84.38 0.03 15.25 0.46 0.03 0.01 0.02 0.00 83.79 0.44 8 T E E 41.35 11.44 15.14 27.90 128.18 -168.20 -123.11 149.66 3.38 96.61 0.01 3.00 0.22 0.01 0.00 0.00 0.00 96.65 0.11 9 F E E 91.01 7.49 15.45 24.66 116.93 -125.34 -97.17 131.92 2.92 97.07 0.01 2.85 0.16 0.01 0.00 0.00 0.00 95.20 1.77 10 C C C 21.45 12.83 9.80 24.46 109.06 -132.12 -86.60 117.96 60.48 39.48 0.04 60.18 0.69 0.07 0.01 0.02 0.00 37.76 1.27 11 K C T 148.51 2.35 13.56 17.31 93.54 -158.99 -68.56 -28.75 99.15 0.15 0.70 0.33 3.45 95.40 0.01 0.68 0.00 0.11 0.03 12 K C T 159.13 1.04 13.29 13.99 97.27 47.87 -76.20 -38.55 99.11 0.06 0.83 0.10 1.97 97.16 0.01 0.72 0.00 0.03 0.01 13 C C T 71.77 3.89 11.44 16.85 101.48 22.76 -105.82 -14.22 99.46 0.05 0.50 0.23 2.11 97.15 0.01 0.47 0.00 0.02 0.01 14 G C C 46.78 3.84 12.24 17.85 96.24 -122.63 78.48 5.86 98.98 0.81 0.20 61.00 5.68 32.29 0.03 0.18 0.00 0.62 0.19 15 K C C 113.87 3.11 15.67 19.91 120.98 128.32 -88.99 149.26 75.79 24.19 0.02 72.10 2.89 0.14 0.00 0.02 0.00 24.32 0.54 16 H E E 87.57 12.82 12.05 25.14 116.73 -115.85 -86.93 136.96 1.56 98.44 0.00 1.51 0.08 0.00 0.00 0.00 0.00 96.71 1.70 17 Q E E 69.91 8.00 17.40 26.87 128.77 -176.26 -133.06 144.98 5.46 94.53 0.00 5.07 0.25 0.01 0.00 0.00 0.00 94.57 0.09 18 P E E 74.08 8.13 17.34 26.34 114.69 -104.42 -67.15 145.07 14.88 85.10 0.02 13.83 0.80 0.05 0.00 0.01 0.00 84.77 0.52 19 H E E 42.85 16.67 13.01 29.78 127.72 -167.78 -122.52 150.07 47.74 52.16 0.10 42.58 4.23 0.24 0.02 0.07 0.00 52.23 0.63 20 K E E 125.60 4.14 21.09 25.98 118.00 -125.28 -99.93 135.73 34.52 65.39 0.09 31.42 2.41 0.16 0.03 0.06 0.00 63.98 1.95 21 V E E 38.33 18.36 11.19 28.95 115.68 -133.80 -89.48 130.28 30.21 69.62 0.17 28.85 0.91 0.11 0.08 0.09 0.00 65.61 4.36 22 T E E 71.77 5.43 18.57 24.71 107.39 -170.41 -99.12 -11.39 46.04 53.59 0.37 31.05 14.11 1.00 0.08 0.31 0.00 52.53 0.92 23 Q E E 104.01 5.89 17.21 24.11 124.35 -27.08 -118.64 137.74 33.32 66.13 0.55 26.35 5.95 1.05 0.14 0.45 0.00 63.68 2.38 24 Y E E 80.80 14.78 10.40 24.92 121.62 -158.17 -110.98 138.50 38.63 60.85 0.52 35.42 2.08 0.38 0.29 0.28 0.00 54.29 7.26 25 K C C 113.96 4.70 14.57 20.61 116.72 -129.00 -91.22 145.90 76.08 22.60 1.32 59.20 12.86 3.69 0.37 1.09 0.00 19.81 2.99 26 K C T 148.11 3.35 12.64 17.75 109.37 -100.35 -70.17 136.51 87.83 7.58 4.59 15.92 25.94 46.49 0.76 3.78 0.01 5.43 1.67 27 G C T 52.08 4.00 12.94 17.88 107.33 26.52 82.30 -4.47 92.62 2.98 4.40 23.40 24.86 44.47 0.58 3.97 0.00 1.78 0.94 28 K C C 110.55 6.55 11.61 19.53 112.20 109.59 -90.66 129.55 87.36 5.65 6.98 46.46 24.40 16.58 1.37 5.78 0.01 2.82 2.58 29 D C C 106.24 3.88 14.51 19.57 103.72 -139.81 -91.29 16.95 88.95 4.58 6.47 51.85 21.61 15.54 1.56 4.96 0.00 2.40 2.08 30 S C C 34.78 9.47 13.14 24.25 128.52 110.51 -112.89 159.46 80.29 7.68 12.04 48.13 26.15 5.55 8.23 3.77 0.02 2.91 5.23 31 L C T 84.98 8.89 15.91 25.84 92.82 -110.60 -64.25 -29.07 50.07 1.73 48.21 6.56 9.27 32.34 26.60 22.87 0.32 0.96 1.09 32 Y H T 101.12 10.46 16.15 27.13 94.90 57.37 -78.83 -18.45 48.41 2.85 48.74 6.94 7.77 31.36 26.90 23.41 0.50 1.83 1.29 33 A H H 34.95 11.13 14.66 26.93 98.79 64.58 -79.35 -10.04 45.09 5.94 48.97 16.10 10.49 19.05 26.63 21.54 0.35 3.57 2.28 34 Q C T 91.22 8.09 16.14 24.97 105.47 70.42 -87.48 24.94 59.99 6.27 33.74 20.20 13.74 27.13 24.73 7.85 0.31 3.51 2.54 35 G C C 30.36 10.06 14.27 25.04 118.32 -137.57 86.53 173.72 70.23 7.05 22.72 30.33 16.12 24.58 14.81 7.46 0.16 4.29 2.26 36 K C C 125.61 5.71 15.48 22.24 110.72 -96.94 -90.62 118.33 58.02 11.94 30.04 34.22 12.61 11.41 19.62 10.63 0.13 8.58 2.80 37 R C C 124.61 7.87 13.28 22.22 115.99 -138.78 -93.97 132.40 48.64 19.37 31.99 28.71 10.42 10.11 20.34 11.63 0.19 15.40 3.19 38 R C C 124.82 7.38 14.08 22.62 113.75 -152.71 -96.16 128.14 43.36 25.71 30.93 26.26 8.71 9.25 20.15 11.06 0.18 20.75 3.63 39 Y C C 94.54 10.25 11.30 22.61 118.95 -158.11 -107.07 134.84 44.92 26.91 28.18 27.76 10.02 7.52 20.96 7.80 0.18 21.15 4.61 40 D C C 78.14 5.69 12.96 20.23 113.46 -150.67 -96.82 128.48 57.02 18.35 24.63 39.46 9.29 7.78 18.65 6.88 0.06 15.44 2.44 41 R C C 147.80 5.41 11.40 18.37 100.47 -145.82 -79.85 3.22 54.75 14.74 30.51 30.99 11.46 12.96 19.54 11.00 0.15 11.42 2.48 42 K C C 143.90 2.33 12.04 15.48 101.73 86.04 -81.33 -7.33 55.73 15.94 28.33 32.13 11.62 12.47 17.50 10.95 0.19 11.76 3.38 43 Q C C 108.07 5.15 9.59 16.34 106.80 86.22 -87.90 84.93 62.02 16.43 21.55 39.40 11.81 10.41 13.69 8.24 0.18 10.34 5.94 44 S C C 74.22 4.25 10.24 16.01 109.85 94.80 -92.89 105.08 77.24 9.84 12.92 43.15 16.01 18.68 6.63 5.85 0.05 5.84 3.80 45 G C T 52.76 2.67 10.63 14.66 111.83 15.42 80.00 -6.66 84.89 4.09 11.02 24.66 27.64 33.59 2.84 7.31 0.02 2.26 1.68 46 Y C T 165.41 2.86 9.29 13.59 106.25 -12.31 -94.32 92.84 81.04 5.31 13.64 19.42 24.33 38.07 2.89 9.80 0.04 2.79 2.66 47 G C T 58.16 1.94 11.11 13.93 104.95 -18.59 72.20 2.85 85.60 3.77 10.64 18.52 24.74 42.51 1.61 8.83 0.01 2.19 1.59 48 G C C 51.02 3.77 10.53 15.86 107.72 -55.11 72.70 10.35 86.65 6.01 7.35 34.47 27.80 24.72 1.04 6.52 0.00 3.49 1.96 49 Q C C 112.37 4.64 10.57 16.81 114.92 76.77 -88.51 135.71 82.66 13.81 3.52 56.88 19.60 5.73 1.05 2.73 0.00 8.25 5.76 50 T C C 92.12 4.79 11.31 17.67 108.71 -138.81 -94.06 71.84 79.74 18.79 1.48 60.46 15.80 2.78 0.54 1.09 0.00 12.86 6.45 51 K C C 121.16 4.84 12.38 18.81 119.74 -141.66 -103.02 135.68 80.99 18.69 0.32 65.73 14.83 0.67 0.15 0.21 0.00 15.89 2.52 52 P C C 77.20 7.05 11.82 20.45 113.78 -109.20 -67.44 145.70 72.08 27.05 0.87 67.72 3.14 0.84 0.47 0.44 0.00 20.09 7.29 53 I C C 97.50 7.20 11.62 20.11 111.48 -139.62 -93.70 125.69 76.60 19.55 3.84 47.95 26.14 3.07 2.71 1.44 0.01 15.22 3.48 54 F C C 115.01 6.84 11.17 19.41 120.08 -144.99 -109.97 137.34 64.74 30.13 5.13 45.42 16.59 2.78 3.64 1.86 0.03 22.19 7.49 55 R C C 146.19 5.17 11.42 18.36 117.56 -157.34 -102.45 134.34 71.31 21.57 7.12 60.87 6.97 2.81 4.82 2.59 0.01 17.78 4.15 56 K C C 130.58 4.85 11.44 17.87 115.29 -139.90 -95.04 141.34 72.87 11.55 15.59 47.88 16.56 8.66 9.33 6.27 0.03 8.32 2.96 57 K C C 135.14 4.56 12.30 18.43 112.06 -123.79 -86.53 136.00 71.44 8.53 20.03 44.66 16.83 10.34 11.04 8.91 0.04 5.43 2.75 58 A C C 58.03 8.44 10.25 19.88 113.29 -123.42 -79.58 143.13 70.74 6.17 23.08 49.23 12.38 9.28 11.58 11.52 0.02 3.91 2.09 59 K C C 132.89 4.42 13.10 18.92 109.35 -132.60 -86.39 123.51 71.64 7.49 20.86 47.82 13.58 10.31 10.73 10.20 0.03 4.65 2.69 60 T C C 82.27 6.79 12.54 20.48 109.94 -153.75 -92.49 105.27 73.67 8.88 17.45 44.76 16.56 12.81 8.56 8.68 0.05 5.46 3.13 61 T C C 75.52 7.43 13.24 21.66 109.67 117.45 -96.48 86.43 79.90 8.93 11.18 47.35 20.12 13.02 5.18 5.75 0.03 5.84 2.72 62 K C C 110.54 7.65 15.31 23.90 111.08 91.81 -89.87 117.53 84.76 10.87 4.37 45.32 32.58 7.80 1.53 2.63 0.01 8.46 1.67 63 K C C 89.72 10.24 17.40 28.09 120.23 -123.64 -106.02 139.21 69.28 29.69 1.04 47.39 18.59 2.86 0.22 0.78 0.00 29.02 1.14 64 I E E 32.31 16.71 16.67 33.88 119.63 -144.90 -106.96 131.61 18.00 81.92 0.07 16.93 0.93 0.09 0.02 0.04 0.00 81.20 0.79 65 V E E 31.72 12.64 21.15 34.98 119.74 -160.04 -110.18 130.41 5.63 94.36 0.01 5.29 0.23 0.01 0.00 0.00 0.00 94.33 0.13 66 L E E 21.19 19.14 18.56 38.12 119.09 -158.60 -105.38 130.07 2.05 97.95 0.00 1.84 0.10 0.00 0.00 0.00 0.00 98.03 0.03 67 R E E 71.67 11.66 23.18 35.19 119.36 -163.72 -111.54 130.82 0.94 99.06 0.00 0.83 0.04 0.00 0.00 0.00 0.00 99.12 0.01 68 L E E 17.04 20.85 17.32 38.54 120.54 -156.73 -107.52 133.68 0.76 99.24 0.00 0.66 0.03 0.00 0.00 0.00 0.00 99.30 0.01 69 E E E 64.47 9.27 23.16 33.09 123.08 -164.21 -115.49 136.82 1.09 98.91 0.01 0.94 0.08 0.01 0.00 0.00 0.00 98.93 0.04 70 C E E 19.98 17.53 12.85 31.15 113.11 -120.27 -78.41 132.03 13.38 86.59 0.03 11.90 0.93 0.07 0.00 0.02 0.00 86.70 0.37 71 V C S 74.84 6.35 17.92 25.57 97.71 -161.21 -89.26 -21.91 75.50 24.44 0.06 19.34 53.88 1.42 0.00 0.08 0.00 24.96 0.33 72 E C S 85.95 5.64 13.13 20.63 121.22 69.69 -107.50 140.05 78.10 21.50 0.39 9.38 63.08 6.16 0.05 0.36 0.00 19.63 1.34 73 P C T 100.16 3.27 12.87 17.47 105.21 -99.16 -61.87 136.67 97.15 0.38 2.47 1.46 8.60 86.95 0.20 2.42 0.00 0.25 0.11 74 N C T 131.45 1.20 14.31 14.99 94.84 18.03 59.88 12.95 96.76 0.57 2.66 2.17 7.80 86.55 0.26 2.68 0.00 0.41 0.13 75 C C C 45.90 12.49 8.24 20.79 112.91 110.34 -97.49 109.45 73.92 22.15 3.93 48.34 16.22 8.93 1.03 3.64 0.01 16.37 5.47 76 R C C 169.65 2.36 14.31 17.62 100.31 142.78 -97.68 -3.50 76.43 21.71 1.87 59.77 12.44 3.41 1.12 0.95 0.00 20.67 1.64 77 S C C 58.03 5.08 14.10 20.73 123.70 92.85 -99.60 149.90 61.81 34.75 3.44 50.56 8.52 1.94 2.56 0.96 0.00 34.29 1.17 78 K E E 110.99 10.30 12.46 23.61 121.83 -152.30 -112.00 139.13 36.66 58.85 4.48 29.24 5.90 1.06 3.64 0.74 0.00 58.70 0.72 79 R E E 114.13 7.37 16.14 24.94 126.23 -168.83 -123.22 142.87 12.26 83.28 4.46 10.27 1.16 0.51 3.92 0.57 0.00 82.94 0.63 80 M E E 91.35 11.14 14.78 26.52 118.66 -137.03 -100.81 132.82 12.44 83.00 4.56 11.01 0.79 0.36 4.09 0.48 0.00 82.54 0.72 81 L E E 53.22 12.63 15.01 28.56 121.04 -162.83 -109.77 136.97 29.21 66.30 4.50 26.33 1.50 0.42 3.87 0.50 0.00 66.83 0.55 82 A E E 54.56 7.82 18.68 27.35 116.60 -130.54 -90.47 138.28 41.18 54.27 4.55 35.44 3.72 0.77 3.71 0.61 0.00 55.09 0.66 83 I E E 44.54 17.38 12.69 29.92 120.63 -158.60 -109.98 133.50 46.86 47.84 5.29 41.31 3.83 1.08 4.09 0.99 0.00 47.27 1.43 84 K C E 116.69 5.53 19.24 25.67 120.27 -154.25 -102.58 141.68 47.90 46.56 5.54 36.61 9.17 2.03 4.09 1.30 0.01 45.52 1.27 85 R E E 121.82 9.22 16.53 26.32 114.44 -104.62 -79.83 135.13 42.51 51.02 6.46 31.66 8.79 2.74 4.43 2.01 0.02 46.12 4.23 86 C E E 32.65 15.88 10.88 26.81 123.71 -155.59 -113.54 147.17 45.34 49.24 5.42 39.47 3.93 1.72 3.22 2.34 0.01 44.97 4.34 87 K C S 140.63 3.16 17.27 21.14 98.44 -160.50 -85.29 -27.69 60.36 35.43 4.21 17.05 35.12 9.35 1.53 2.27 0.02 33.49 1.17 88 H C E 106.03 4.84 18.45 24.26 132.34 8.74 -143.95 145.74 48.31 47.91 3.78 23.33 19.04 7.26 1.36 2.13 0.01 46.02 0.86 89 F E E 64.75 17.32 11.46 28.12 126.38 -170.64 -127.94 136.12 41.27 55.21 3.52 36.93 3.21 1.18 2.01 1.71 0.00 52.14 2.82 90 E E E 101.47 5.40 18.23 24.68 117.95 -158.41 -112.44 127.51 44.16 53.73 2.11 40.25 2.44 1.08 1.43 0.97 0.00 49.95 3.88 91 L C E 81.55 11.26 12.53 24.30 114.99 -148.84 -88.89 132.22 59.68 36.71 3.61 31.73 12.99 17.10 1.44 2.25 0.02 32.30 2.17 92 G C C 45.05 4.53 14.91 20.51 110.57 21.87 96.02 -16.44 79.67 15.96 4.37 27.93 27.38 25.33 1.57 2.69 0.02 13.49 1.61 93 G C S 40.47 5.53 12.82 19.66 117.30 27.40 84.99 -167.37 79.16 7.57 13.27 26.79 35.84 17.43 5.96 6.58 0.05 5.46 1.89 94 D C C 94.80 4.61 12.57 18.44 105.77 -36.79 -85.13 71.35 70.48 7.44 22.08 37.41 18.69 15.18 10.24 11.35 0.03 4.95 2.14 95 K C C 122.27 5.94 10.77 18.19 98.04 105.49 -76.20 -9.06 60.00 8.67 31.33 35.89 13.57 11.27 14.60 16.37 0.05 6.00 2.25 96 K C C 139.54 2.97 12.22 16.57 97.44 89.10 -73.70 -19.87 60.09 8.65 31.27 37.58 12.06 10.87 15.23 15.94 0.04 6.01 2.26 97 R C C 139.00 5.07 10.63 17.07 101.06 58.15 -89.18 6.97 65.10 6.99 27.90 43.98 10.20 10.96 12.93 15.11 0.02 4.58 2.24 98 K C T 134.44 4.37 10.29 16.49 107.37 117.23 -75.40 118.20 75.33 4.51 20.15 21.94 10.98 42.42 9.94 9.95 0.04 2.86 1.86 99 G C T 52.99 3.55 11.43 16.45 104.76 16.45 79.80 1.50 82.34 2.64 15.01 18.53 14.29 49.95 4.91 9.62 0.01 1.88 0.82 100 Q C C 113.74 4.11 9.87 15.85 114.63 132.78 -88.89 136.10 80.10 10.02 9.88 51.36 17.57 11.43 2.87 7.16 0.01 7.04 2.55 101 V C C 107.37 3.69 9.42 15.03 112.86 -142.30 -91.59 127.93 75.00 23.00 2.01 67.40 3.75 2.67 1.12 0.88 0.00 13.26 10.92 102 I C C 102.01 6.80 11.02 19.12 111.90 -160.78 -95.67 118.00 99.24 0.74 0.01 99.26 0.12 0.03 0.01 0.00 0.00 0.53 0.04