# 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 45.88 10.91 17.42 28.57 115.05 -158.10 -96.72 143.41 99.64 0.19 0.16 99.58 0.11 0.09 0.09 0.01 0.00 0.08 0.03 1 Y C C 93.57 12.26 15.74 27.92 99.64 -138.28 -75.76 -21.38 53.76 7.11 39.13 43.29 2.93 7.84 28.31 10.20 0.00 4.26 3.16 2 L H G 58.29 14.71 12.40 26.77 98.49 70.31 -72.28 -28.07 31.12 5.64 63.25 17.00 5.76 8.91 29.37 33.53 0.06 4.48 0.89 3 A H G 67.60 6.26 15.84 23.20 96.44 67.68 -69.73 -22.41 25.30 4.21 70.49 12.60 4.42 8.60 29.59 40.72 0.03 3.45 0.59 4 Q H G 99.46 7.35 15.91 24.17 100.18 61.21 -80.61 -11.65 30.88 4.34 64.77 12.05 6.07 12.90 26.39 38.41 0.08 3.21 0.88 5 L C C 54.26 15.45 13.64 28.80 106.67 71.08 -90.01 49.14 51.56 10.46 37.98 24.45 13.14 15.46 18.82 17.89 0.35 5.82 4.07 6 V C C 55.93 12.57 14.72 27.94 117.29 93.15 -92.95 133.64 87.60 7.74 4.67 43.49 41.84 2.75 3.71 1.16 0.01 4.01 3.03 7 P C C 67.21 9.12 14.20 24.41 113.36 -112.41 -70.58 147.28 90.86 4.38 4.76 79.48 7.29 4.06 2.98 1.74 0.00 2.99 1.47 8 R C C 143.40 6.86 13.10 21.41 104.61 -131.66 -82.36 49.24 85.10 3.56 11.34 49.02 20.34 15.98 3.87 7.30 0.00 1.84 1.65 9 D C C 95.82 4.80 14.88 20.95 107.47 52.00 -89.44 90.36 87.88 2.05 10.07 32.81 29.89 25.57 2.65 7.14 0.00 1.07 0.88 10 K C C 118.62 8.63 15.23 24.60 103.04 -124.53 -76.49 47.87 86.70 4.11 9.19 50.28 19.97 16.54 2.41 6.91 0.00 2.46 1.43 11 R C C 96.29 11.41 16.92 28.58 114.85 138.72 -90.90 137.39 91.30 5.63 3.07 65.76 22.34 3.34 1.45 1.61 0.00 3.08 2.42 12 T C C 35.80 12.04 22.41 34.72 123.10 -128.55 -89.49 159.89 77.97 20.47 1.56 63.69 11.32 0.37 1.45 0.18 0.00 3.10 19.90 13 L H H 5.67 25.45 19.82 45.52 91.92 -109.44 -60.08 -39.57 0.99 0.00 99.01 0.17 0.10 0.57 98.81 0.34 0.00 0.00 0.00 14 S H H 16.83 20.05 21.87 40.95 91.23 53.60 -63.06 -40.52 0.35 0.00 99.65 0.03 0.02 0.25 99.25 0.44 0.00 0.00 0.00 15 N H H 64.60 7.59 25.84 33.92 91.64 50.57 -65.38 -39.90 0.14 0.00 99.86 0.01 0.01 0.10 99.31 0.56 0.00 0.00 0.00 16 V H H 6.27 22.11 21.49 43.37 91.89 49.93 -64.32 -43.34 0.27 0.00 99.73 0.02 0.01 0.20 99.29 0.46 0.00 0.00 0.00 17 I H H 2.69 26.74 19.96 46.90 91.50 49.84 -66.47 -36.68 2.72 0.01 97.27 0.10 0.09 2.60 94.59 2.60 0.01 0.01 0.00 18 L H H 70.35 12.73 22.41 34.85 91.01 60.06 -67.88 -24.55 43.55 0.03 56.42 0.31 0.58 45.03 50.27 3.76 0.01 0.01 0.03 19 N C T 82.43 8.09 22.98 31.83 95.42 51.30 -93.88 -0.84 70.69 0.03 29.27 0.77 1.31 70.39 23.85 3.63 0.00 0.01 0.03 20 L C S 12.23 24.56 11.36 35.52 117.44 108.12 -75.90 142.73 99.40 0.41 0.19 26.23 72.86 0.31 0.12 0.04 0.00 0.09 0.35 21 P C C 54.30 8.58 20.18 29.60 113.41 -104.07 -65.78 153.44 97.40 1.50 1.10 87.53 4.57 4.75 0.24 0.99 0.00 0.66 1.25 22 N C T 106.05 6.17 20.64 27.45 106.00 -66.74 -59.80 122.13 97.77 0.44 1.79 1.78 14.86 80.86 0.10 1.90 0.00 0.23 0.27 23 H C T 99.32 10.43 21.94 32.18 95.27 -1.08 69.54 17.24 98.12 0.37 1.50 3.94 14.53 79.15 0.09 1.91 0.00 0.22 0.18 24 G C C 4.74 22.44 17.73 39.38 120.36 140.34 -77.38 175.56 81.85 12.88 5.27 43.34 32.16 5.39 0.64 4.85 0.01 5.66 7.97 25 I C T 39.15 19.09 23.82 41.09 110.91 -78.87 -75.64 130.36 91.19 5.08 3.73 1.00 5.31 85.69 0.13 3.85 0.00 3.00 1.02 26 G C T 19.78 14.51 24.27 38.20 99.70 20.40 86.27 -2.73 95.33 1.67 3.00 1.55 4.42 88.32 0.07 4.11 0.00 1.38 0.14 27 G C C 8.24 19.91 19.90 39.47 118.78 140.10 -75.26 152.24 91.47 6.71 1.82 86.35 4.52 0.41 0.10 1.84 0.00 6.51 0.27 28 I E E 54.24 14.13 27.07 40.92 126.39 -137.11 -118.59 140.43 4.05 95.91 0.03 3.97 0.19 0.01 0.01 0.02 0.00 94.53 1.26 29 F E E 7.23 25.08 20.74 45.96 122.51 -156.07 -110.24 137.46 1.03 98.97 0.00 1.04 0.02 0.00 0.00 0.00 0.00 98.79 0.15 30 A E E 17.71 15.48 24.02 39.40 132.96 -173.81 -128.82 154.06 5.28 94.71 0.01 5.20 0.13 0.01 0.00 0.00 0.00 94.39 0.26 31 R E E 47.83 17.25 17.58 34.57 112.67 -108.31 -75.78 135.28 37.21 62.70 0.09 35.65 1.12 0.12 0.02 0.07 0.00 61.93 1.10 32 D C S 87.20 7.85 18.89 27.59 95.13 -146.17 -76.87 -21.23 94.77 3.89 1.35 15.17 51.76 27.74 0.09 1.46 0.00 3.34 0.44 33 T C S 80.65 4.88 19.83 25.06 104.69 49.97 -104.22 -5.34 95.21 3.32 1.48 11.41 52.82 31.09 0.11 1.48 0.00 2.42 0.66 34 W C C 59.89 18.55 11.13 28.51 111.70 93.12 -90.63 119.22 92.70 5.09 2.21 52.84 32.67 6.80 0.37 2.11 0.00 2.42 2.79 35 H C C 109.37 5.84 16.84 23.75 115.44 -155.85 -98.65 127.09 97.21 2.32 0.47 69.41 25.02 2.74 0.11 0.40 0.00 1.21 1.12 36 P C C 68.25 10.42 11.77 22.89 109.87 -113.74 -68.35 139.82 95.82 1.49 2.69 60.68 20.09 14.41 0.34 2.98 0.00 0.82 0.68 37 E C C 132.63 3.80 14.30 19.28 101.00 -129.57 -83.07 -14.93 92.11 2.03 5.85 43.95 24.94 22.45 0.65 5.98 0.00 0.97 1.05 38 S C S 60.91 5.03 15.77 21.77 117.86 40.55 -106.56 148.72 92.57 1.60 5.83 23.63 36.89 31.20 0.40 6.43 0.00 0.91 0.53 39 K C C 115.48 8.35 17.33 26.28 103.14 -90.89 -70.86 66.88 89.03 6.26 4.71 43.37 24.77 20.40 0.32 5.40 0.00 4.91 0.83 40 R C C 45.07 15.85 17.24 33.40 124.50 145.15 -113.13 143.73 59.94 38.84 1.21 50.21 6.78 1.87 0.16 1.13 0.00 38.37 1.48 41 Y E E 31.96 16.95 22.51 39.28 134.40 -169.48 -132.87 154.15 15.93 84.04 0.02 14.19 1.28 0.07 0.00 0.01 0.00 84.03 0.40 42 W E E 9.84 23.71 20.92 44.73 126.64 -150.37 -122.88 140.85 1.10 98.90 0.00 0.97 0.03 0.00 0.00 0.00 0.00 98.99 0.01 43 E E E 48.51 12.18 27.14 39.96 118.12 -148.35 -108.02 130.23 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 44 I E E 5.53 24.95 16.60 42.80 109.56 -126.90 -80.31 122.70 0.09 99.91 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 45 L E E 63.99 8.34 23.77 33.06 101.31 174.64 -98.67 -31.25 0.98 99.02 0.00 0.69 0.14 0.01 0.00 0.00 0.00 99.15 0.00 46 E E E 78.00 6.78 25.89 33.72 138.77 1.35 -153.90 148.15 0.73 99.26 0.00 0.50 0.10 0.01 0.00 0.00 0.00 99.38 0.01 47 V E E 14.61 24.52 14.51 38.88 124.04 -164.20 -127.74 129.27 0.97 99.02 0.01 0.88 0.04 0.00 0.00 0.00 0.00 99.06 0.02 48 V E E 58.47 7.72 25.27 33.46 121.32 -171.27 -123.49 127.63 4.40 95.59 0.01 3.98 0.19 0.02 0.00 0.01 0.00 95.71 0.09 49 T E E 42.78 16.12 15.69 31.51 115.58 -139.45 -81.25 140.98 20.27 79.39 0.35 17.88 2.04 0.40 0.09 0.23 0.00 78.53 0.84 50 A C C 37.27 10.79 13.77 25.81 112.58 -131.28 -85.41 137.82 66.48 31.27 2.25 54.60 8.39 2.51 0.71 1.64 0.00 29.51 2.64 51 K C C 138.97 3.87 13.00 18.34 100.45 -134.33 -74.04 -25.30 83.17 9.11 7.72 34.17 26.59 23.37 1.36 6.22 0.01 6.69 1.60 52 D C T 121.35 1.22 13.64 14.56 101.81 35.51 -85.14 -19.61 89.37 2.08 8.55 13.60 29.28 46.59 1.16 7.33 0.00 1.22 0.81 53 S C T 65.85 5.17 12.78 19.12 106.25 24.50 -102.56 42.79 88.64 2.66 8.70 18.61 25.40 44.60 1.23 7.64 0.01 1.49 1.03 54 S C T 53.93 11.73 12.83 24.70 97.58 -136.13 -41.23 1.62 90.58 4.09 5.33 21.80 31.86 37.03 0.56 5.05 0.00 2.65 1.04 55 A C C 54.02 8.27 17.46 26.47 98.44 88.43 -87.77 -7.27 85.44 11.51 3.05 31.97 26.79 27.36 0.31 3.04 0.00 9.30 1.24 56 K C C 77.21 10.14 19.39 30.12 125.05 68.98 -113.49 142.94 56.71 42.26 1.04 42.03 12.66 2.60 0.24 0.98 0.00 37.74 3.75 57 V E E 10.51 21.67 15.84 37.56 130.72 -167.05 -126.04 152.03 33.00 66.91 0.09 28.92 3.02 0.28 0.02 0.07 0.00 66.73 0.96 58 D E E 47.30 10.49 26.61 37.88 120.88 -137.42 -103.32 138.61 7.85 92.13 0.02 7.10 0.56 0.05 0.00 0.01 0.00 92.04 0.24 59 A E E 2.19 26.11 17.97 44.94 126.97 -166.54 -122.54 141.93 0.97 99.03 0.00 0.89 0.06 0.00 0.00 0.00 0.00 99.02 0.02 60 Y E E 38.00 13.60 27.27 41.45 131.37 -171.84 -130.02 148.98 0.31 99.69 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.71 0.00 61 G E E 3.21 22.52 21.44 43.57 140.27 98.68 -142.99 162.41 0.28 99.72 0.00 0.22 0.01 0.00 0.00 0.00 0.00 99.77 0.00 62 Y E E 46.35 13.71 25.76 40.03 124.00 -118.16 -119.63 135.75 0.23 99.77 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.78 0.00 63 L E E 13.56 21.10 20.26 41.40 115.59 -143.73 -92.44 127.76 0.54 99.46 0.00 0.44 0.02 0.00 0.00 0.00 0.00 99.54 0.00 64 Y E E 36.84 13.60 21.22 35.91 127.15 -173.05 -124.29 142.14 0.62 99.38 0.00 0.53 0.03 0.00 0.00 0.00 0.00 99.41 0.03 65 Y E E 46.17 16.23 16.42 32.88 119.90 -169.55 -127.06 121.41 2.16 97.83 0.02 1.34 0.47 0.13 0.00 0.01 0.00 97.70 0.34 66 Q C T 106.74 7.35 17.26 25.90 92.39 -15.14 54.59 41.76 99.57 0.30 0.13 0.25 2.84 96.59 0.00 0.09 0.00 0.20 0.02 67 G C T 43.81 7.96 15.08 23.87 95.59 -51.97 81.44 0.25 99.83 0.08 0.08 0.32 3.27 96.27 0.00 0.08 0.00 0.06 0.01 68 E E E 115.62 3.12 17.34 21.67 121.45 110.03 -107.68 137.10 4.69 95.29 0.02 2.65 1.85 0.16 0.01 0.01 0.00 93.35 1.97 69 K E E 108.76 9.62 13.14 23.87 111.96 -115.61 -73.61 132.22 7.62 92.36 0.02 6.79 0.58 0.05 0.01 0.01 0.00 91.49 1.07 70 T C C 61.99 9.99 13.32 24.26 105.09 -165.50 -96.63 -15.15 77.54 22.32 0.14 68.09 6.94 0.63 0.02 0.14 0.00 23.48 0.70 71 H C C 100.35 6.00 13.77 21.29 122.48 12.04 -121.77 133.54 93.42 6.37 0.21 65.90 25.64 2.03 0.03 0.25 0.00 5.34 0.80 72 P C S 98.80 4.67 13.83 20.17 96.72 -134.15 -72.17 -12.39 97.15 2.61 0.24 41.05 51.81 4.41 0.02 0.28 0.00 2.06 0.37 73 F C C 128.92 3.40 16.55 20.95 120.62 67.39 -104.87 139.81 94.77 5.16 0.08 48.61 45.54 0.95 0.01 0.08 0.00 4.35 0.46 74 P C C 54.02 16.00 11.61 27.11 115.09 -108.17 -66.03 143.97 92.16 7.80 0.03 88.92 2.80 0.15 0.00 0.03 0.00 7.85 0.25 75 K E E 99.24 7.46 19.37 27.88 125.92 -163.94 -124.91 140.30 14.37 85.60 0.02 13.58 0.55 0.04 0.01 0.01 0.00 83.55 2.27 76 R E E 121.42 10.32 18.36 29.23 115.17 -123.01 -85.59 132.02 6.00 93.99 0.01 5.77 0.15 0.01 0.01 0.00 0.00 90.70 3.35 77 V C C 15.81 21.09 11.93 32.92 116.90 -150.43 -99.95 129.68 56.86 43.06 0.08 56.04 0.84 0.11 0.02 0.05 0.00 41.93 1.02 78 H C C 140.04 3.25 21.43 25.19 101.00 -148.93 -84.13 10.58 91.15 8.32 0.52 63.65 25.26 2.10 0.08 0.53 0.00 7.76 0.62 79 S C C 37.92 10.94 18.39 29.88 133.74 60.08 -134.52 164.59 86.25 3.07 10.69 38.72 34.74 12.72 1.33 9.58 0.00 1.66 1.24 80 V C T 42.43 16.69 18.37 34.42 100.24 -113.53 -85.02 -15.64 78.56 3.09 18.35 17.29 27.37 33.93 1.53 17.06 0.01 1.71 1.10 81 W C T 58.67 18.20 18.16 35.50 101.27 61.39 -90.21 34.43 69.18 10.12 20.70 26.58 15.75 28.01 1.82 18.90 0.02 6.46 2.45 82 R C C 68.90 15.75 18.64 33.71 109.92 115.62 -90.11 107.54 60.49 19.92 19.59 41.00 11.43 9.20 3.22 16.22 0.03 14.46 4.45 83 Y C T 115.36 10.56 20.23 30.50 108.77 58.08 -80.38 114.44 71.65 20.73 7.62 15.02 17.18 41.00 0.98 6.48 0.05 16.37 2.92 84 G C T 29.64 10.40 20.94 31.52 99.93 25.59 81.68 7.77 74.66 20.60 4.74 20.94 15.68 38.56 0.44 4.30 0.01 19.18 0.91 85 W C E 31.83 22.05 13.60 35.03 119.23 148.12 -85.41 143.26 50.19 49.50 0.31 47.84 1.70 0.21 0.09 0.17 0.00 49.02 0.97 86 Y E E 93.14 9.32 23.87 33.69 131.67 -173.82 -131.58 147.39 5.63 94.28 0.09 5.18 0.35 0.06 0.05 0.04 0.00 91.14 3.18 87 W E E 91.42 16.39 18.39 34.10 113.81 -116.70 -85.20 131.02 10.55 89.36 0.09 7.75 2.76 0.22 0.04 0.05 0.00 88.41 0.76 88 K C E 42.90 15.20 14.91 30.60 125.69 -166.14 -116.29 147.29 51.25 48.61 0.14 40.83 8.74 0.34 0.04 0.08 0.00 49.29 0.69 89 P C C 61.02 6.36 17.48 24.91 113.36 -103.18 -65.82 149.80 86.97 12.50 0.53 82.76 3.50 0.43 0.29 0.19 0.00 12.24 0.60 90 K H H 105.46 8.33 13.31 22.63 109.71 -102.87 -64.42 152.62 12.71 0.13 87.16 5.59 2.58 5.07 80.42 6.20 0.02 0.07 0.05 91 P H H 93.55 1.82 15.82 17.29 93.33 49.38 -63.47 -36.30 8.70 0.09 91.21 2.50 1.24 4.80 83.71 7.64 0.03 0.06 0.03 92 E H H 95.39 3.85 15.57 20.38 92.19 50.49 -66.99 -37.02 5.37 0.11 94.51 2.13 0.79 2.49 86.36 8.10 0.01 0.08 0.03 93 Q H H 33.67 15.78 11.40 27.28 92.29 53.78 -64.40 -39.78 3.92 0.07 96.01 1.83 0.65 1.62 93.34 2.49 0.00 0.04 0.02 94 E H H 99.36 5.85 16.48 23.49 91.63 53.33 -63.75 -39.92 3.07 0.05 96.88 1.13 0.38 1.54 94.76 2.14 0.00 0.03 0.01 95 K H H 134.64 1.36 19.36 19.06 92.26 50.52 -65.98 -39.23 3.91 0.03 96.05 0.86 0.39 2.49 92.91 3.30 0.01 0.02 0.01 96 L H H 60.65 9.91 16.53 27.35 93.21 48.28 -68.42 -37.47 8.51 0.03 91.45 0.88 0.66 6.68 88.29 3.42 0.02 0.02 0.02 97 L H H 32.16 16.64 13.70 30.27 94.84 48.27 -74.66 -29.27 17.75 0.10 82.16 2.24 1.96 13.41 79.59 2.66 0.04 0.04 0.06 98 Q H H 98.61 3.51 18.87 22.76 92.25 61.27 -62.51 -42.59 15.87 0.21 83.92 7.39 2.89 6.14 77.29 6.10 0.01 0.11 0.08 99 P H H 69.95 2.88 19.28 21.87 92.17 49.74 -64.88 -39.02 15.56 0.27 84.17 7.17 1.72 6.63 76.78 7.44 0.01 0.18 0.08 100 L H H 30.95 14.46 14.43 29.58 92.41 50.99 -66.32 -39.54 11.07 0.35 88.58 6.37 1.67 3.68 80.43 7.54 0.01 0.21 0.09 101 K H H 89.65 8.79 17.12 26.71 91.79 53.56 -62.89 -41.28 11.25 0.56 88.19 7.63 1.86 2.91 84.46 2.65 0.01 0.31 0.16 102 E H H 120.39 1.41 20.57 19.89 91.93 50.44 -64.33 -40.94 11.31 0.60 88.10 7.33 1.68 3.31 84.87 2.28 0.01 0.36 0.16 103 R H H 107.20 6.21 18.50 25.48 92.23 49.65 -65.48 -40.58 10.46 0.67 88.87 6.03 1.47 3.82 85.42 2.62 0.01 0.46 0.17 104 Y H H 60.42 14.55 14.64 29.40 91.86 51.12 -63.83 -41.27 12.22 0.43 87.36 6.47 1.75 4.75 83.84 2.79 0.02 0.25 0.14 105 N H H 87.68 2.99 19.41 22.25 91.81 51.39 -64.02 -40.08 20.80 0.49 78.72 7.14 2.93 11.58 75.42 2.46 0.04 0.26 0.18 106 T H H 70.61 2.43 18.72 20.58 92.10 50.55 -65.31 -40.45 23.64 0.72 75.64 7.24 3.83 13.82 71.56 2.81 0.09 0.39 0.26 107 L H H 31.49 11.14 12.78 25.74 92.32 52.30 -64.41 -41.33 18.22 1.26 80.52 9.53 3.81 6.91 70.48 7.97 0.11 0.82 0.37 108 V H H 71.86 7.34 13.73 22.42 92.05 50.93 -64.00 -40.69 15.33 0.97 83.70 6.04 2.13 7.24 68.56 15.00 0.07 0.73 0.23 109 D H H 119.83 0.95 15.24 15.20 91.26 52.32 -66.19 -28.70 23.51 0.74 75.74 4.93 3.01 14.61 61.09 15.44 0.15 0.49 0.28 110 M C T 107.64 3.95 12.33 17.76 93.23 54.70 -83.37 -6.81 57.41 0.78 41.81 5.26 8.79 41.35 31.11 12.35 0.16 0.37 0.61 111 G C T 56.23 2.39 13.68 17.23 96.16 -116.67 74.66 16.29 96.80 0.30 2.90 14.76 13.36 68.97 1.35 1.25 0.00 0.16 0.15 112 I C C 93.80 6.26 12.99 20.73 99.67 126.64 -87.17 -13.97 95.91 2.41 1.68 59.01 31.21 5.61 0.65 1.00 0.00 1.14 1.39 113 I C C 54.90 12.33 10.53 23.58 126.76 42.77 -123.93 143.53 95.50 3.54 0.96 54.13 39.83 1.64 0.45 0.43 0.00 1.23 2.30 114 D C C 76.95 4.28 16.33 21.52 112.33 -113.13 -76.20 131.51 99.14 0.31 0.55 97.03 1.96 0.33 0.14 0.27 0.00 0.13 0.15 115 P H G 78.77 9.58 10.20 20.86 92.63 -124.71 -60.29 -29.37 19.15 0.26 80.59 4.77 2.09 9.59 1.37 81.97 0.00 0.18 0.03 116 S H G 87.68 1.73 13.03 15.51 92.51 64.24 -72.11 -15.98 17.53 0.25 82.22 2.38 1.83 11.09 1.42 83.09 0.00 0.17 0.02 117 Q H G 114.05 4.21 11.95 17.62 97.36 60.03 -86.46 -6.21 19.53 0.40 80.08 7.70 2.23 7.12 1.81 80.83 0.00 0.26 0.04 118 L C C 56.03 15.69 10.04 24.67 105.76 80.04 -81.19 92.11 99.77 0.09 0.14 99.60 0.21 0.08 0.02 0.04 0.00 0.03 0.03