# 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 96.71 8.75 14.96 24.52 115.71 -165.24 -96.86 130.50 99.77 0.21 0.02 99.71 0.10 0.06 0.00 0.00 0.00 0.11 0.02 1 S C C 73.23 5.76 15.09 22.03 114.87 -147.61 -90.56 128.49 86.34 12.72 0.94 82.02 2.69 1.79 0.45 0.38 0.00 8.21 4.45 2 L C C 39.56 17.21 8.74 24.94 120.59 -139.22 -95.31 142.51 90.90 8.88 0.22 66.76 24.75 0.39 0.13 0.08 0.00 5.35 2.53 3 T C C 70.34 3.13 16.88 20.27 116.75 -108.07 -68.54 157.10 97.02 2.71 0.27 96.81 0.81 0.11 0.17 0.04 0.00 1.39 0.67 4 N H H 115.93 3.56 12.54 18.15 92.07 -107.66 -57.95 -38.11 2.63 0.01 97.37 0.53 0.46 1.42 96.88 0.69 0.00 0.00 0.00 5 S H H 81.78 1.41 16.64 17.45 91.52 53.42 -64.44 -38.41 1.45 0.00 98.55 0.16 0.12 1.01 97.94 0.76 0.00 0.00 0.00 6 Q H H 51.77 12.87 14.93 28.31 92.53 48.70 -68.37 -37.89 0.68 0.00 99.32 0.14 0.06 0.38 98.80 0.61 0.00 0.00 0.00 7 K H H 53.48 17.34 16.01 32.62 91.60 54.17 -61.86 -43.21 0.18 0.00 99.82 0.04 0.01 0.08 99.82 0.05 0.00 0.00 0.00 8 V H H 74.90 4.25 22.93 27.01 91.64 50.04 -63.89 -42.00 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 9 A H H 33.07 6.77 22.38 30.27 91.39 50.28 -63.64 -42.09 0.07 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 10 V H H 4.35 24.20 18.42 42.84 91.37 49.40 -63.84 -43.76 0.09 0.00 99.91 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 11 M H H 40.67 17.41 21.40 37.90 91.20 50.99 -62.53 -42.18 0.15 0.00 99.85 0.01 0.00 0.11 99.80 0.07 0.00 0.00 0.00 12 K H H 111.46 3.14 25.11 27.66 91.55 50.77 -63.92 -41.42 0.53 0.00 99.47 0.02 0.02 0.47 99.31 0.18 0.00 0.00 0.00 13 H H H 36.35 12.73 20.57 34.03 91.79 49.68 -65.14 -42.18 1.05 0.00 98.94 0.06 0.06 0.91 98.61 0.36 0.00 0.00 0.00 14 F H H 8.52 24.63 16.41 40.80 91.84 49.29 -64.65 -41.90 2.49 0.02 97.49 0.20 0.21 2.08 96.55 0.92 0.02 0.01 0.01 15 K H H 83.00 13.22 19.51 32.13 93.16 46.90 -69.36 -36.02 6.85 0.03 93.12 0.37 0.45 5.99 91.11 2.02 0.04 0.01 0.02 16 N H H 103.57 2.74 21.89 24.28 99.00 38.11 -86.83 -33.07 17.28 0.06 82.66 0.70 1.41 15.27 80.67 1.81 0.07 0.02 0.04 17 K H H 101.18 7.78 20.86 28.76 102.62 19.23 -106.83 -10.72 31.08 0.44 68.48 4.18 7.63 20.50 65.77 1.36 0.14 0.15 0.26 18 G C C 10.70 17.30 19.35 36.29 104.34 -127.32 78.46 11.37 88.71 10.88 0.40 55.40 25.88 6.92 0.12 0.28 0.00 10.82 0.58 19 S E E 12.13 19.22 23.87 42.41 138.36 49.83 -142.65 156.26 20.34 79.55 0.11 18.15 1.73 0.19 0.03 0.07 0.00 78.95 0.88 20 L E E 5.41 24.47 23.15 47.44 126.52 -153.28 -122.41 139.54 3.51 96.46 0.02 3.28 0.19 0.02 0.01 0.01 0.00 95.84 0.65 21 L E E 25.99 17.14 26.69 43.47 119.21 -150.09 -107.06 129.00 5.61 94.36 0.03 5.28 0.29 0.03 0.01 0.01 0.00 93.45 0.92 22 V E E 9.72 22.73 18.43 41.10 118.84 -159.17 -106.59 135.51 32.90 66.96 0.15 30.32 1.65 0.22 0.05 0.09 0.00 66.64 1.03 23 Y C C 99.18 10.27 21.60 31.99 103.58 -156.69 -93.77 -12.46 79.55 19.75 0.70 55.18 21.04 3.15 0.14 0.57 0.00 18.92 0.99 24 D C C 49.83 11.37 16.52 28.67 112.36 65.68 -106.02 110.70 90.64 5.68 3.68 68.93 15.31 6.02 0.64 3.36 0.00 4.49 1.25 25 R C T 125.42 10.35 14.08 24.97 97.41 -165.48 -75.58 -13.58 88.41 2.35 9.24 28.66 23.41 36.49 1.29 7.95 0.00 1.36 0.85 26 K C T 153.02 1.91 17.34 19.30 98.05 61.55 -88.74 8.99 87.04 2.68 10.28 30.71 19.82 36.84 1.81 8.26 0.00 1.34 1.21 27 L C C 47.26 15.66 9.21 24.49 117.89 118.58 -81.41 143.59 84.86 2.74 12.40 61.40 18.15 5.33 4.43 7.77 0.00 1.22 1.69 28 E C C 123.09 2.88 18.58 21.71 115.59 -107.90 -73.84 149.80 84.97 3.40 11.63 65.74 12.00 7.22 5.01 6.43 0.00 1.87 1.73 29 K C C 125.19 7.17 14.23 23.04 114.91 -102.49 -72.92 140.91 73.25 15.35 11.40 51.98 12.79 6.72 5.40 6.00 0.05 5.79 11.27 30 N C C 29.74 16.53 8.50 24.71 112.00 -120.59 -82.98 127.00 82.22 12.63 5.15 72.29 5.91 2.47 3.11 2.02 0.01 4.83 9.36 31 E C T 159.98 0.92 16.03 16.02 93.35 -143.73 -67.74 -25.74 86.95 0.74 12.31 7.88 17.54 61.87 3.05 8.80 0.00 0.41 0.44 32 I C T 98.08 5.75 14.47 21.38 97.37 49.28 -82.77 -31.14 88.44 0.69 10.87 5.15 18.73 65.14 2.37 7.78 0.00 0.36 0.46 33 L C T 30.74 18.08 10.47 27.61 114.34 38.74 -113.98 107.52 84.82 2.67 12.51 16.01 20.75 48.25 3.72 8.18 0.03 1.23 1.83 34 D C C 116.71 2.00 20.23 22.01 97.88 -135.52 -43.09 42.25 96.89 1.72 1.40 42.42 22.52 32.22 0.52 0.79 0.00 1.01 0.52 35 I C C 24.09 17.75 11.55 29.57 125.96 122.52 -115.23 145.12 87.75 11.53 0.72 50.45 37.49 1.19 0.46 0.27 0.00 5.13 4.99 36 N C C 71.53 4.50 22.97 27.23 113.54 -106.82 -70.82 143.82 79.24 19.66 1.10 78.53 1.25 0.31 0.93 0.18 0.00 8.30 10.50 37 N H H 40.71 19.22 13.56 32.13 92.59 -123.04 -59.78 -36.98 3.23 0.02 96.75 0.93 0.45 1.78 95.15 1.66 0.00 0.01 0.01 38 K H H 120.40 3.61 21.60 25.55 91.29 57.15 -63.61 -37.22 1.13 0.01 98.86 0.15 0.08 0.83 97.16 1.77 0.00 0.00 0.00 39 K H H 86.46 7.18 21.64 29.26 91.80 49.97 -66.29 -39.84 0.68 0.01 99.31 0.12 0.06 0.46 97.06 2.29 0.00 0.01 0.00 40 L H H 3.16 25.54 15.47 41.52 91.33 50.57 -63.73 -43.54 0.61 0.01 99.38 0.14 0.06 0.36 98.82 0.63 0.00 0.00 0.00 41 R H H 79.19 14.68 20.52 34.39 91.31 51.76 -62.01 -42.14 0.67 0.00 99.33 0.14 0.05 0.40 98.69 0.71 0.00 0.00 0.00 42 S H H 61.80 2.53 24.54 25.80 91.41 50.89 -64.28 -40.90 1.18 0.00 98.81 0.15 0.07 0.86 97.38 1.54 0.00 0.00 0.00 43 Y H H 48.21 14.46 20.65 35.15 91.88 49.13 -65.83 -40.97 2.21 0.01 97.78 0.21 0.14 1.67 95.54 2.43 0.01 0.00 0.00 44 I H H 4.43 25.48 15.92 41.53 92.27 50.26 -69.62 -35.02 6.57 0.05 93.37 1.14 0.66 4.47 90.27 3.40 0.01 0.03 0.02 45 Q H H 92.98 7.46 21.19 29.20 92.09 60.46 -62.88 -37.67 24.81 0.32 74.87 3.70 2.32 18.09 69.61 5.90 0.06 0.17 0.14 46 S H H 56.32 4.09 21.28 25.29 91.53 53.99 -68.43 -28.37 42.20 0.70 57.09 6.77 4.94 29.97 50.03 7.48 0.10 0.38 0.32 47 L H H 15.40 20.14 13.30 33.27 93.74 58.22 -71.68 -30.14 39.37 4.48 56.15 19.57 8.51 13.21 42.72 11.36 0.28 2.78 1.58 48 K H H 99.00 12.06 15.19 27.21 92.56 64.15 -63.11 -40.18 34.46 10.63 54.92 17.90 6.19 12.52 36.78 15.84 0.30 8.08 2.39 49 D H H 119.98 1.11 17.51 17.62 90.94 55.68 -67.91 -20.18 35.62 15.34 49.05 11.23 7.21 18.71 28.09 18.70 1.24 10.91 3.93 50 Q C T 93.66 6.86 14.67 22.95 92.70 57.12 -87.24 2.75 78.70 1.37 19.93 3.63 11.93 63.75 8.49 10.44 0.08 0.79 0.87 51 G C T 45.91 4.59 19.18 24.60 94.61 -109.87 79.31 10.14 97.54 0.26 2.20 2.17 13.35 82.56 0.34 1.34 0.00 0.14 0.10 52 Y C S 36.99 16.94 16.18 33.63 97.15 113.88 -90.50 -20.31 82.18 16.81 1.02 14.28 46.78 21.92 0.20 0.81 0.00 14.78 1.24 53 I E E 6.39 24.06 12.69 37.19 133.01 35.21 -134.55 148.18 14.72 85.22 0.05 11.89 2.81 0.16 0.02 0.03 0.00 83.88 1.20 54 E E E 94.42 5.38 24.64 30.24 120.80 -148.21 -109.43 137.81 3.06 96.94 0.01 2.87 0.11 0.01 0.00 0.00 0.00 96.89 0.12 55 E E E 70.74 18.21 13.73 30.76 123.27 -151.18 -113.89 135.57 1.24 98.76 0.00 1.24 0.02 0.00 0.00 0.00 0.00 98.70 0.03 56 H E E 90.23 6.16 18.27 25.66 125.10 -173.20 -125.36 135.93 1.56 98.43 0.00 1.44 0.07 0.00 0.00 0.00 0.00 98.45 0.03 57 Y E E 121.67 9.58 12.19 22.85 117.48 -148.45 -104.66 128.59 9.38 90.61 0.01 8.11 0.67 0.05 0.00 0.00 0.00 90.90 0.26 58 V C C 69.39 6.10 11.97 19.87 117.22 174.33 -124.34 119.03 60.85 39.07 0.08 54.25 4.20 0.29 0.01 0.05 0.00 40.63 0.56 59 W C S 188.66 2.67 13.76 17.11 101.40 -52.18 47.28 -75.51 97.86 1.52 0.63 8.33 56.89 32.78 0.05 0.59 0.00 1.17 0.20 60 Q C S 120.81 4.87 13.82 19.70 98.86 -15.85 -92.59 -0.76 97.97 1.48 0.55 7.97 56.44 33.65 0.04 0.55 0.00 1.19 0.16 61 Q E E 63.14 9.91 15.12 26.36 127.80 69.14 -123.10 147.15 35.06 64.69 0.25 24.89 8.50 1.81 0.03 0.23 0.00 64.03 0.51 62 L E E 31.16 15.23 16.51 32.74 121.51 -153.00 -112.59 134.08 4.17 95.83 0.00 3.91 0.16 0.01 0.00 0.00 0.00 95.81 0.10 63 Y E E 32.22 15.11 21.47 37.36 126.10 -170.41 -122.26 142.07 0.63 99.37 0.00 0.59 0.02 0.00 0.00 0.00 0.00 99.38 0.01 64 C E E 8.71 21.12 20.93 42.18 122.54 -155.58 -111.26 136.98 0.35 99.65 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.67 0.01 65 F E E 36.84 15.42 26.08 41.31 127.97 -168.44 -124.97 141.47 0.84 99.16 0.00 0.78 0.02 0.00 0.00 0.00 0.00 99.13 0.07 66 A E E 4.40 24.34 17.85 42.94 113.77 -116.07 -76.98 135.88 11.99 88.00 0.00 11.78 0.28 0.01 0.00 0.00 0.00 87.28 0.65 67 T C C 28.36 11.62 22.09 34.46 125.15 -140.56 -88.55 170.51 91.49 8.42 0.10 90.34 1.46 0.06 0.06 0.02 0.00 7.68 0.37 68 E H H 116.26 6.42 19.94 27.58 91.09 -96.43 -59.73 -37.93 3.56 0.01 96.43 0.59 0.59 2.20 96.06 0.55 0.00 0.00 0.00 69 S H H 58.42 3.57 23.21 26.42 91.37 53.26 -64.42 -39.54 1.38 0.00 98.62 0.09 0.08 1.13 98.06 0.63 0.00 0.00 0.00 70 G H H 2.69 21.48 16.45 38.50 91.52 51.14 -63.63 -42.40 0.69 0.00 99.31 0.10 0.04 0.45 98.82 0.58 0.00 0.00 0.00 71 M H H 21.83 19.82 18.37 37.79 91.56 50.93 -63.39 -42.20 0.19 0.00 99.81 0.03 0.01 0.10 99.80 0.07 0.00 0.00 0.00 72 K H H 118.03 3.10 24.26 27.05 91.48 50.73 -63.93 -41.97 0.21 0.00 99.79 0.02 0.01 0.12 99.83 0.03 0.00 0.00 0.00 73 Y H H 69.92 8.40 21.84 31.16 91.70 48.71 -64.30 -42.79 0.25 0.00 99.75 0.02 0.01 0.15 99.79 0.03 0.00 0.00 0.00 74 F H H 8.70 22.83 17.12 39.93 92.04 48.39 -65.05 -42.74 0.24 0.00 99.75 0.02 0.01 0.15 99.77 0.04 0.00 0.00 0.00 75 N H H 33.16 13.63 16.58 31.00 91.53 50.31 -63.64 -41.66 0.29 0.00 99.71 0.02 0.01 0.20 99.71 0.06 0.00 0.00 0.00 76 D H H 106.71 1.47 20.65 20.76 92.71 47.15 -67.56 -40.38 0.72 0.00 99.28 0.02 0.02 0.62 99.20 0.13 0.00 0.00 0.00 77 Q H H 78.25 9.41 17.10 27.11 94.87 44.42 -72.90 -38.13 4.12 0.00 95.87 0.08 0.16 3.91 95.63 0.22 0.00 0.00 0.00 78 L H H 33.60 16.33 13.84 30.51 97.85 32.05 -98.36 -4.44 38.82 0.12 61.07 1.28 3.77 32.48 61.63 0.68 0.04 0.03 0.10 79 E C T 144.99 2.24 20.21 22.65 93.70 -123.84 59.01 41.02 99.49 0.07 0.44 26.60 4.03 69.00 0.20 0.10 0.00 0.03 0.03 80 I C C 26.87 18.28 9.50 27.42 121.74 151.68 -101.26 141.47 99.76 0.19 0.05 91.13 8.49 0.13 0.03 0.01 0.00 0.06 0.15 81 P C C 62.21 4.33 18.38 23.49 113.63 -103.13 -64.14 146.38 99.64 0.07 0.29 99.25 0.38 0.16 0.10 0.05 0.00 0.02 0.03 82 D H G 91.93 8.64 12.72 22.62 91.90 -116.50 -60.39 -30.37 46.32 0.25 53.43 4.63 6.02 33.76 20.62 34.63 0.02 0.12 0.20 83 V H G 107.82 2.47 17.49 20.40 91.78 63.74 -69.78 -22.74 44.54 0.88 54.57 4.59 5.53 31.75 22.31 34.76 0.10 0.48 0.48 84 I H G 56.70 12.58 14.51 27.51 97.66 50.81 -89.21 -17.18 37.65 4.33 58.02 10.85 8.01 19.15 23.31 34.50 0.24 2.62 1.33 85 E C C 49.09 17.02 13.01 29.26 108.30 77.91 -87.87 97.94 58.05 6.14 35.81 36.92 17.27 5.44 29.77 5.15 0.05 3.32 2.07 86 E C C 102.48 6.46 17.51 24.75 106.13 -130.15 -76.56 102.20 55.94 5.84 38.22 40.87 6.73 7.67 33.92 5.21 0.02 4.38 1.21 87 G C H 36.25 8.07 16.05 24.81 106.70 33.38 -70.31 -14.05 52.76 4.21 43.03 35.56 8.57 8.57 37.65 5.79 0.02 2.91 0.94 88 I H H 65.74 11.78 13.77 26.03 103.38 62.85 -81.52 8.19 41.93 5.58 52.50 30.75 6.49 5.77 46.70 5.14 0.02 4.07 1.05 89 R H H 119.01 7.78 15.04 23.73 104.02 58.97 -82.43 33.96 36.23 7.16 56.61 27.76 4.98 4.79 51.38 4.32 0.02 5.50 1.25 90 M H H 101.35 6.75 13.80 21.61 101.31 64.35 -77.46 -16.90 30.66 4.30 65.04 23.43 4.39 4.37 59.76 4.05 0.02 3.29 0.70 91 E H H 117.46 4.38 13.37 19.11 100.92 56.96 -75.06 -24.78 30.79 3.06 66.15 21.85 4.56 5.62 60.91 4.20 0.01 2.32 0.52 92 A H H 63.22 5.49 12.57 19.38 104.30 59.02 -81.30 12.24 35.70 3.16 61.13 24.29 4.92 7.36 56.52 3.98 0.02 2.27 0.63 93 V H H 81.83 6.77 10.41 18.57 107.63 67.67 -87.02 79.42 42.04 3.45 54.51 28.51 6.55 7.53 51.10 3.29 0.02 2.19 0.82 94 Q C H 113.69 4.17 10.18 15.98 109.39 67.04 -85.83 115.88 53.79 4.57 41.64 38.46 7.43 7.15 40.30 2.62 0.01 2.92 1.10 95 Q C C 124.73 2.92 9.17 13.85 109.01 -143.98 -85.24 116.60 64.04 4.84 31.12 45.38 8.29 8.95 30.11 2.84 0.01 3.20 1.23 96 K C C 148.19 2.36 8.17 12.25 107.97 -133.12 -85.57 94.85 72.05 4.15 23.80 50.57 9.53 10.55 22.39 3.02 0.01 2.69 1.26 97 E C C 143.06 2.07 7.83 11.59 109.91 -127.68 -83.03 123.08 86.87 1.61 11.53 78.90 1.29 6.78 10.07 1.39 0.00 0.94 0.62 98 E C C 144.11 2.28 10.17 13.99 108.03 -121.22 -83.06 105.64 99.92 0.04 0.04 99.80 0.08 0.08 0.02 0.00 0.00 0.02 0.00