# 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 121.04 4.88 13.90 20.21 117.50 -157.18 -100.20 128.36 99.20 0.79 0.01 99.29 0.11 0.02 0.00 0.00 0.00 0.53 0.04 1 V C C 70.92 9.78 9.61 20.37 121.86 -167.40 -111.82 136.81 68.99 30.77 0.24 68.31 0.73 0.46 0.09 0.10 0.00 26.67 3.64 2 N C C 116.33 2.27 14.90 18.01 113.16 -143.23 -96.15 119.76 63.02 36.71 0.26 51.95 8.34 1.54 0.08 0.25 0.00 32.28 5.57 3 V C C 55.65 13.45 9.35 23.02 118.71 -162.42 -103.19 130.47 76.31 23.64 0.05 67.69 8.43 0.19 0.02 0.05 0.00 21.95 1.69 4 P C C 51.72 7.72 12.77 22.53 114.23 -109.17 -65.47 148.75 84.63 14.84 0.52 82.42 1.88 0.66 0.12 0.33 0.00 13.23 1.36 5 K C S 156.31 2.45 13.68 17.57 95.07 -134.60 -73.89 -24.06 86.52 8.76 4.72 16.83 55.63 14.38 0.35 4.17 0.00 7.61 1.03 6 Q C S 111.07 3.35 15.61 19.85 124.66 43.95 -118.81 148.45 67.21 27.04 5.75 19.03 35.41 13.04 0.33 5.33 0.01 25.78 1.08 7 R C E 100.45 11.05 12.21 24.04 120.48 -155.33 -110.86 136.94 48.91 48.42 2.68 40.87 5.58 1.75 0.29 2.35 0.00 48.35 0.81 8 R E E 109.48 8.48 15.11 24.85 120.11 -149.84 -103.55 137.55 13.61 86.35 0.04 13.13 0.47 0.04 0.01 0.02 0.00 85.94 0.39 9 T E E 49.63 9.82 15.11 26.41 125.60 -168.79 -119.98 147.88 2.22 97.78 0.00 2.01 0.11 0.00 0.00 0.00 0.00 97.81 0.07 10 F E E 93.05 7.31 14.35 23.45 118.66 -129.70 -100.13 131.21 2.25 97.74 0.01 2.17 0.13 0.01 0.00 0.00 0.00 97.31 0.38 11 C E E 26.59 10.53 9.68 22.51 109.11 -136.75 -91.87 116.52 36.46 63.48 0.06 35.37 0.73 0.10 0.01 0.04 0.00 62.90 0.85 12 K C T 145.01 2.47 12.69 16.66 93.97 -164.70 -68.16 -29.95 98.17 0.25 1.57 0.47 3.27 94.33 0.03 1.68 0.00 0.18 0.04 13 K C T 162.20 0.82 12.41 12.57 96.01 48.05 -72.97 -38.28 97.87 0.12 2.01 0.24 2.48 95.07 0.03 2.09 0.00 0.06 0.03 14 C C T 75.24 3.18 10.92 15.41 99.89 25.02 -102.00 -10.00 98.58 0.11 1.31 0.75 3.42 94.21 0.03 1.50 0.00 0.06 0.02 15 K C T 149.48 2.84 11.80 16.52 93.97 -126.97 61.32 28.96 99.06 0.57 0.37 27.61 5.32 66.15 0.07 0.25 0.00 0.51 0.08 16 V E E 77.09 3.83 13.77 19.18 124.53 130.61 -110.72 147.56 32.46 67.52 0.02 29.69 2.07 0.15 0.00 0.02 0.00 67.38 0.68 17 H E E 92.48 11.11 11.41 23.28 116.81 -124.88 -89.88 134.12 1.78 98.21 0.00 1.69 0.08 0.01 0.00 0.00 0.00 97.95 0.27 18 K E E 93.56 6.02 16.38 23.98 128.02 -169.46 -131.44 147.71 3.27 96.72 0.01 3.03 0.15 0.01 0.00 0.00 0.00 96.70 0.10 19 L E E 95.08 7.46 15.33 24.06 114.45 -108.61 -71.69 139.35 12.64 87.31 0.05 11.57 0.76 0.08 0.01 0.03 0.00 87.17 0.38 20 H E E 53.77 13.92 11.71 26.18 127.46 -168.46 -119.44 152.01 38.62 61.17 0.21 34.00 3.14 0.28 0.07 0.11 0.00 61.89 0.50 21 K E E 133.72 3.18 19.03 22.75 117.41 -124.61 -95.74 136.46 31.49 68.34 0.17 29.30 1.54 0.17 0.08 0.09 0.00 67.58 1.25 22 V E E 50.62 15.69 10.49 26.02 118.94 -139.71 -98.98 133.65 29.07 70.69 0.24 27.49 1.22 0.16 0.14 0.11 0.00 69.08 1.80 23 T E E 66.81 5.73 16.65 23.56 123.72 -166.07 -114.68 145.29 27.80 71.70 0.50 24.13 2.79 0.44 0.25 0.24 0.00 70.81 1.33 24 Q E E 107.09 6.19 14.60 22.38 117.70 -127.11 -98.69 132.94 26.64 72.16 1.21 22.03 3.73 0.83 0.71 0.56 0.00 69.95 2.19 25 Y E E 99.89 11.05 10.23 21.98 119.10 -147.79 -100.71 137.54 43.12 55.58 1.29 37.76 3.93 0.89 0.81 0.62 0.00 53.15 2.85 26 K C C 123.87 4.04 13.46 19.09 118.37 -145.11 -101.21 142.70 70.95 26.66 2.39 56.15 11.41 3.10 1.16 1.33 0.00 24.59 2.27 27 K C C 133.05 4.41 11.55 17.72 113.21 -109.22 -75.07 140.92 78.74 11.55 9.71 46.33 22.13 10.98 4.23 5.22 0.02 8.64 2.46 28 S C C 63.66 6.40 8.87 16.78 114.43 -125.43 -80.02 144.93 74.51 4.71 20.77 40.12 21.09 14.04 9.45 10.79 0.02 2.55 1.93 29 K C C 153.51 2.03 11.06 14.11 100.62 -116.83 -82.58 -8.39 65.33 3.56 31.11 32.39 19.11 14.69 15.62 14.73 0.05 1.83 1.57 30 E C C 125.01 3.57 10.43 15.42 105.79 73.30 -85.56 40.21 64.49 4.01 31.49 37.26 14.49 12.73 16.89 14.75 0.03 2.26 1.57 31 R C C 134.54 5.34 9.55 16.37 110.72 76.48 -86.35 115.25 63.75 5.45 30.81 41.04 12.82 9.79 18.93 12.15 0.03 3.06 2.19 32 K C C 141.63 3.19 10.91 15.63 103.41 -120.27 -77.35 12.17 59.87 4.89 35.24 25.85 12.67 22.30 22.12 12.15 0.16 2.85 1.91 33 G C T 49.15 3.87 11.62 16.78 102.85 40.05 -74.67 -2.18 64.60 3.59 31.81 23.73 15.35 26.51 18.82 11.94 0.15 1.88 1.62 34 A C C 61.37 6.08 10.47 18.08 104.65 99.76 -82.06 20.85 64.00 3.63 32.37 30.33 16.24 18.06 20.14 11.64 0.10 1.81 1.68 35 Q C T 114.02 4.87 11.90 18.01 106.34 60.92 -87.84 68.53 66.52 3.93 29.55 22.33 16.48 28.23 19.86 9.11 0.18 2.11 1.71 36 G C C 39.42 6.07 12.29 19.74 116.42 -112.56 95.55 162.69 69.48 4.30 26.22 29.47 17.55 23.13 17.32 8.43 0.11 2.39 1.61 37 R C C 149.50 4.37 12.76 18.44 111.71 -73.88 -89.97 126.00 53.23 8.89 37.88 33.13 11.20 9.51 26.85 10.84 0.09 6.08 2.30 38 R C H 129.41 6.66 11.68 19.66 113.95 -143.35 -90.93 131.54 43.46 15.55 40.99 26.74 8.91 8.92 28.30 12.08 0.18 12.18 2.69 39 R H H 131.57 6.01 13.06 20.39 112.82 -148.59 -92.70 126.40 39.56 19.33 41.11 23.92 8.45 8.66 28.39 12.16 0.17 15.44 2.80 40 Y C H 104.35 8.85 11.07 21.07 115.08 -150.46 -98.45 131.88 42.14 19.58 38.28 25.64 9.53 8.42 28.49 9.28 0.17 15.17 3.29 41 D C C 76.98 5.74 12.39 19.70 111.42 -151.90 -95.45 120.45 55.33 12.58 32.09 38.16 9.00 8.01 25.30 7.36 0.05 10.21 1.92 42 R C C 149.22 4.86 11.51 17.88 99.34 -147.67 -78.90 -6.86 51.90 10.78 37.33 29.16 10.68 12.68 25.57 11.57 0.11 8.25 1.98 43 K C C 138.10 2.69 11.80 15.70 102.42 83.06 -82.78 5.18 53.07 12.75 34.18 29.74 11.05 12.89 22.55 11.51 0.15 9.34 2.76 44 Q C C 107.02 5.42 9.57 16.51 105.70 87.10 -86.76 47.72 60.45 14.09 25.46 38.91 10.66 10.74 16.73 9.00 0.12 9.29 4.55 45 Q C C 121.57 3.63 10.52 15.64 110.14 115.13 -92.15 117.53 73.66 10.17 16.17 39.68 16.26 18.28 9.83 5.96 0.08 6.25 3.66 46 G C T 51.09 2.73 10.66 14.79 115.43 20.24 94.76 -17.00 83.62 4.73 11.65 27.40 26.04 31.36 3.62 7.06 0.03 2.67 1.82 47 F C T 151.75 2.94 9.33 13.63 106.31 -39.15 -89.49 73.78 79.81 5.60 14.60 20.48 23.34 36.88 3.38 10.13 0.05 2.95 2.78 48 G C T 58.21 1.87 11.05 13.76 105.15 -3.23 74.44 5.21 84.97 3.64 11.39 18.30 23.70 43.13 1.82 9.38 0.01 2.15 1.51 49 G C C 51.16 3.51 10.39 15.48 109.49 -50.09 79.37 10.19 85.89 5.95 8.16 34.68 27.75 23.82 1.18 7.12 0.01 3.42 2.03 50 Q C C 113.96 4.41 10.11 16.16 113.85 -69.64 -89.40 134.15 83.28 12.65 4.07 56.47 19.85 6.52 1.18 3.11 0.01 7.35 5.51 51 T C C 94.70 4.13 10.77 16.54 107.98 -159.41 -92.71 61.63 82.98 15.08 1.94 59.21 19.48 3.80 0.68 1.44 0.00 9.98 5.40 52 K C C 127.73 4.04 11.52 17.22 118.70 99.12 -102.08 135.01 85.29 14.33 0.38 64.75 20.20 0.77 0.19 0.24 0.00 11.35 2.50 53 P C C 82.95 5.81 10.89 18.47 113.80 -109.21 -67.83 145.81 77.55 21.35 1.10 72.33 3.82 1.08 0.65 0.53 0.00 15.37 6.21 54 I C C 105.13 5.93 10.27 17.82 113.50 -138.56 -93.18 131.39 77.65 18.99 3.36 54.63 20.16 3.05 2.34 1.25 0.02 14.11 4.45 55 F C C 128.15 5.18 10.04 16.89 118.64 -148.94 -107.40 137.09 69.03 26.50 4.47 50.99 15.23 2.82 3.08 1.66 0.03 18.83 7.36 56 R C C 155.89 3.88 10.36 16.26 116.49 -155.60 -102.07 131.74 75.45 18.90 5.66 64.11 7.93 2.91 3.78 2.13 0.00 15.18 3.95 57 K C C 133.78 4.24 10.23 16.28 116.05 -146.43 -95.52 139.60 75.97 11.75 12.27 53.63 14.37 7.73 7.71 4.75 0.01 8.46 3.35 58 K C C 141.21 3.60 11.40 16.75 113.13 -124.95 -88.14 134.69 74.86 8.69 16.45 49.16 16.12 9.71 9.41 7.01 0.02 5.48 3.09 59 A C C 63.12 7.19 9.64 18.23 113.52 -124.96 -80.76 140.92 72.51 6.53 20.96 48.38 14.33 10.15 10.55 10.21 0.02 3.99 2.37 60 K C C 135.93 4.01 12.52 17.99 110.04 -136.82 -87.84 120.04 72.89 7.42 19.68 47.50 14.56 11.24 9.54 9.86 0.03 4.48 2.80 61 T C C 85.09 6.04 12.21 19.51 108.65 -151.94 -91.53 84.28 74.35 9.06 16.59 42.09 18.20 14.85 7.84 8.22 0.06 5.22 3.53 62 T C C 74.53 7.45 12.86 21.36 109.43 77.57 -96.57 77.63 80.10 10.14 9.75 47.17 20.19 13.34 4.54 5.02 0.03 6.45 3.26 63 K C C 110.85 7.47 15.19 23.63 109.17 80.07 -91.49 100.84 84.88 13.12 1.99 50.05 30.83 4.79 0.67 1.28 0.00 10.68 1.70 64 K C C 88.03 10.28 16.68 27.55 122.30 -129.83 -107.84 142.63 62.84 36.78 0.38 51.22 9.58 1.08 0.09 0.28 0.00 36.58 1.17 65 I E E 30.59 16.03 16.22 33.07 119.52 -143.89 -105.48 131.93 13.18 86.80 0.02 12.74 0.48 0.03 0.00 0.01 0.00 86.24 0.49 66 V E E 34.21 11.54 21.04 33.96 119.59 -158.68 -109.62 130.75 3.29 96.71 0.00 3.10 0.11 0.00 0.00 0.00 0.00 96.74 0.05 67 L E E 16.11 19.75 17.52 37.79 120.10 -160.58 -108.66 132.31 0.76 99.24 0.00 0.69 0.02 0.00 0.00 0.00 0.00 99.29 0.01 68 R E E 76.42 10.46 22.89 33.95 119.53 -158.11 -110.09 128.58 0.44 99.56 0.00 0.37 0.02 0.00 0.00 0.00 0.00 99.61 0.00 69 M E E 16.98 20.06 16.65 36.98 125.44 -165.54 -118.19 139.77 0.36 99.64 0.00 0.29 0.02 0.00 0.00 0.00 0.00 99.68 0.00 70 E E E 66.24 7.70 21.37 30.25 117.70 -152.17 -108.45 128.48 0.88 99.12 0.00 0.83 0.05 0.00 0.00 0.00 0.00 99.06 0.07 71 C E E 12.91 16.55 11.25 29.32 110.05 -132.60 -82.59 121.08 24.98 74.99 0.02 23.74 0.83 0.07 0.00 0.02 0.00 74.84 0.51 72 T C T 81.23 4.34 16.13 21.81 94.52 -159.52 -70.85 -28.66 98.99 0.52 0.49 0.94 11.53 86.51 0.02 0.50 0.00 0.42 0.08 73 E C T 132.05 2.23 14.74 17.37 98.21 48.17 -78.00 -40.56 99.25 0.13 0.62 0.37 7.23 91.69 0.02 0.57 0.00 0.07 0.05 74 C C T 65.66 4.86 12.10 18.52 101.93 22.87 -105.55 -7.33 99.23 0.28 0.49 2.10 9.52 87.57 0.02 0.55 0.00 0.18 0.06 75 K C C 149.38 3.11 12.97 17.87 94.92 -127.54 63.53 26.65 96.31 3.33 0.37 59.46 7.16 29.61 0.07 0.34 0.00 2.81 0.57 76 Y C C 112.69 4.62 14.13 20.50 123.65 132.39 -98.83 149.04 61.39 38.58 0.04 58.55 1.52 0.15 0.01 0.03 0.00 39.26 0.47 77 R E E 123.31 10.46 12.54 24.05 123.09 -141.53 -112.58 137.20 2.82 97.17 0.00 2.78 0.09 0.01 0.00 0.00 0.00 96.94 0.19 78 K E E 93.40 6.68 17.23 25.58 130.85 -176.35 -134.94 149.48 1.02 98.97 0.00 1.03 0.04 0.00 0.00 0.00 0.00 98.84 0.08 79 Q E E 94.55 10.79 14.72 26.16 118.23 -126.10 -94.72 134.12 8.85 91.14 0.01 8.40 0.43 0.03 0.00 0.01 0.00 90.68 0.44 80 T C C 38.37 12.66 13.29 27.07 121.79 -154.43 -103.32 142.12 61.62 38.34 0.04 58.83 1.49 0.08 0.01 0.03 0.00 39.26 0.30 81 P C C 86.58 3.70 19.59 23.45 113.35 -103.46 -66.29 145.17 67.26 32.56 0.18 57.22 8.07 0.69 0.03 0.17 0.00 33.25 0.56 82 L C C 50.65 18.49 10.86 28.23 118.92 -131.98 -95.14 137.33 63.13 36.62 0.25 55.97 5.64 0.62 0.05 0.21 0.00 36.50 1.01 83 K E E 101.58 6.49 19.75 27.15 124.28 -161.03 -116.72 142.38 34.54 65.25 0.21 31.25 2.55 0.29 0.09 0.15 0.00 63.75 1.92 84 R E E 119.72 9.85 16.94 27.40 117.77 -129.86 -91.24 138.76 18.46 81.31 0.22 16.56 1.37 0.19 0.12 0.12 0.00 70.95 10.67 85 C E E 29.77 16.29 11.09 27.46 122.98 -147.70 -104.89 145.96 46.90 52.67 0.44 45.24 1.55 0.30 0.16 0.27 0.00 49.53 2.95 86 K C S 137.73 3.12 17.61 21.59 98.41 -159.23 -86.51 -27.96 69.27 30.19 0.54 19.62 45.20 4.42 0.06 0.47 0.00 29.50 0.74 87 H C E 105.52 4.78 18.47 24.29 131.71 9.53 -142.88 145.97 53.02 46.39 0.59 26.84 23.84 3.98 0.07 0.53 0.00 43.78 0.96 88 F E E 65.65 16.95 11.79 28.28 126.13 -167.42 -126.92 137.63 42.47 56.72 0.81 39.56 2.36 0.50 0.31 0.49 0.00 53.25 3.53 89 E E E 96.94 5.85 17.68 24.63 116.56 -158.16 -109.09 125.21 46.15 53.19 0.66 43.37 1.93 0.61 0.27 0.40 0.00 49.60 3.82 90 L C C 80.59 10.84 12.23 23.71 114.59 -157.92 -92.03 130.38 61.50 36.33 2.17 35.97 13.14 14.18 0.49 1.74 0.01 32.21 2.26 91 G C S 46.41 4.29 14.05 19.36 111.88 18.34 99.72 -11.65 80.95 15.88 3.17 27.41 29.52 25.19 0.54 2.53 0.01 13.00 1.79 92 G C S 44.56 4.54 12.22 18.08 115.11 21.53 96.57 -167.08 83.89 6.61 9.50 27.89 38.19 18.67 3.10 5.81 0.03 4.49 1.82 93 D C C 101.42 3.53 11.60 16.47 107.42 -33.29 -84.93 91.25 75.26 6.18 18.56 38.37 21.57 16.10 8.05 10.03 0.03 3.80 2.05 94 K C C 133.10 4.57 10.08 16.32 102.51 110.35 -83.13 1.28 66.66 7.88 25.46 37.81 16.68 12.84 12.63 12.45 0.05 5.26 2.27 95 K C C 143.91 2.67 11.02 15.09 102.83 94.12 -82.94 5.55 66.84 8.31 24.85 43.02 13.48 10.45 13.19 11.68 0.03 5.82 2.33 96 R C C 147.88 3.92 9.93 15.46 107.88 66.41 -92.28 105.71 69.60 7.76 22.63 48.11 11.84 9.44 12.54 10.27 0.02 5.19 2.60 97 K C T 143.76 3.22 9.82 14.74 110.30 96.26 -84.29 128.11 72.73 4.94 22.33 24.40 12.13 36.58 11.49 10.30 0.07 3.17 1.87 98 G C T 50.20 4.22 10.23 15.88 111.07 9.60 66.92 134.80 77.32 3.11 19.56 21.52 14.90 41.57 7.86 10.97 0.03 2.09 1.07 99 Q C C 123.90 3.41 10.22 15.24 111.80 -115.81 -89.84 130.48 75.03 8.88 16.09 49.90 14.62 10.65 6.13 10.09 0.01 6.40 2.19 100 M C C 131.27 3.31 9.34 14.38 112.63 -132.01 -92.37 128.04 68.55 19.90 11.54 45.07 15.18 8.79 5.31 6.28 0.07 15.44 3.86 101 I C C 105.22 6.01 7.55 14.93 115.90 -143.68 -97.80 129.74 68.51 23.41 8.08 50.81 10.15 7.16 3.35 4.59 0.01 20.93 2.99 102 Q C C 137.00 2.03 9.77 13.47 115.10 -156.04 -98.47 129.68 74.98 20.82 4.20 67.71 2.39 4.33 1.96 1.87 0.00 17.76 3.96 103 F C C 135.36 5.58 10.30 17.36 112.87 -160.11 -100.21 122.97 99.42 0.56 0.03 99.34 0.15 0.06 0.01 0.00 0.00 0.40 0.04