# 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 68.14 12.57 17.85 30.50 121.01 -159.48 -104.06 135.62 99.82 0.18 0.00 99.83 0.05 0.00 0.00 0.00 0.00 0.11 0.00 1 L E E 60.20 11.90 18.47 30.95 119.48 -151.83 -102.97 135.29 34.03 65.95 0.02 34.04 0.36 0.04 0.00 0.01 0.00 64.73 0.81 2 Y E E 27.12 19.48 17.03 36.52 126.43 -166.63 -119.28 142.76 6.25 93.74 0.01 5.73 0.31 0.02 0.00 0.00 0.00 93.74 0.19 3 E E E 42.70 14.47 24.24 38.69 122.61 -156.60 -114.35 134.13 1.74 98.26 0.00 1.67 0.06 0.00 0.00 0.00 0.00 98.24 0.03 4 T E E 5.19 23.88 21.56 45.35 125.11 -167.49 -120.27 136.38 0.97 99.03 0.00 0.94 0.03 0.00 0.00 0.00 0.00 99.01 0.01 5 I E E 15.86 19.60 27.08 45.95 122.09 -164.49 -116.67 130.11 0.50 99.50 0.00 0.48 0.01 0.00 0.00 0.00 0.00 99.50 0.01 6 G E E 1.38 25.22 25.21 49.93 124.81 -167.92 -117.21 137.10 0.30 99.70 0.00 0.26 0.01 0.00 0.00 0.00 0.00 99.72 0.00 7 I E E 11.06 21.27 28.26 48.77 117.73 -157.99 -110.04 125.20 0.32 99.68 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.69 0.01 8 V E E 2.97 25.42 22.67 48.08 130.31 -174.65 -127.94 146.77 3.08 96.91 0.00 2.90 0.10 0.00 0.00 0.00 0.00 96.77 0.23 9 R C C 71.61 13.23 26.04 38.96 113.44 -132.84 -96.92 120.07 59.05 40.93 0.02 56.37 1.37 0.07 0.00 0.02 0.00 41.86 0.31 10 P C C 32.39 18.36 16.47 34.21 110.89 -129.29 -70.42 135.87 86.84 10.90 2.26 57.40 14.15 14.63 0.26 2.31 0.00 10.44 0.81 11 G C S 47.87 4.63 19.75 25.12 103.77 108.74 -72.12 -22.70 97.77 0.95 1.29 24.42 53.56 19.78 0.16 1.22 0.00 0.56 0.29 12 N C C 84.93 4.42 19.07 23.87 114.40 49.69 -106.69 118.56 97.80 0.72 1.48 70.91 25.18 1.77 0.76 0.60 0.00 0.26 0.52 13 I H H 72.26 14.53 12.44 26.88 93.57 -146.79 -62.30 -37.40 5.34 0.02 94.63 1.67 1.17 2.44 93.45 1.25 0.00 0.01 0.01 14 A H H 74.52 1.68 20.42 20.81 91.60 55.43 -63.74 -40.71 3.02 0.01 96.97 0.51 0.36 1.95 95.84 1.33 0.01 0.00 0.00 15 E H H 73.58 7.39 19.00 27.37 92.09 48.35 -66.40 -39.14 1.82 0.02 98.16 0.55 0.21 0.98 96.92 1.33 0.00 0.01 0.00 16 V H H 5.80 23.95 13.78 37.79 91.50 51.78 -63.42 -43.03 0.54 0.00 99.45 0.16 0.05 0.23 99.32 0.23 0.00 0.00 0.00 17 K H H 99.02 9.69 21.85 31.70 91.44 51.63 -62.60 -41.53 0.29 0.00 99.71 0.06 0.02 0.13 99.73 0.06 0.00 0.00 0.00 18 E H H 109.07 2.40 25.73 26.88 91.52 49.81 -64.29 -41.58 0.23 0.00 99.77 0.03 0.01 0.12 99.79 0.04 0.00 0.00 0.00 19 L H H 16.82 18.83 21.35 39.84 91.69 49.13 -64.48 -42.81 0.22 0.00 99.78 0.03 0.01 0.11 99.82 0.03 0.00 0.00 0.00 20 V H H 6.15 24.52 20.28 44.39 91.45 50.23 -63.44 -42.97 0.13 0.00 99.87 0.02 0.01 0.07 99.89 0.02 0.00 0.00 0.00 21 L H H 82.04 6.50 26.01 32.91 91.60 50.41 -63.64 -42.08 0.12 0.00 99.88 0.01 0.01 0.07 99.90 0.02 0.00 0.00 0.00 22 T H H 51.78 6.58 26.62 33.91 91.52 49.01 -64.22 -42.63 0.14 0.00 99.86 0.01 0.01 0.10 99.87 0.02 0.00 0.00 0.00 23 A H H 2.04 25.20 21.68 46.77 91.55 49.74 -63.82 -43.19 0.11 0.00 99.89 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 24 G H H 6.66 20.47 21.66 41.63 90.99 51.90 -62.40 -42.47 0.14 0.00 99.86 0.01 0.00 0.09 99.87 0.02 0.00 0.00 0.00 25 K H H 116.38 2.81 27.09 29.36 91.53 50.93 -63.96 -41.44 0.17 0.00 99.83 0.01 0.01 0.13 99.83 0.03 0.00 0.00 0.00 26 L H H 31.76 12.52 22.32 35.48 91.45 50.11 -63.85 -43.04 0.19 0.00 99.81 0.01 0.01 0.15 99.79 0.04 0.00 0.00 0.00 27 I H H 2.01 26.84 15.42 43.06 91.29 49.10 -63.67 -43.42 0.40 0.01 99.59 0.03 0.02 0.33 99.43 0.18 0.00 0.00 0.00 28 L H H 76.29 11.43 18.92 30.35 91.78 49.80 -63.93 -40.13 0.86 0.00 99.14 0.05 0.03 0.75 98.22 0.95 0.00 0.00 0.00 29 N H H 123.23 1.47 21.08 21.69 90.29 54.73 -65.69 -26.27 9.02 0.00 90.97 0.09 0.15 9.80 89.08 0.87 0.01 0.00 0.00 30 Q C T 65.30 12.29 15.33 28.44 93.93 51.60 -92.46 5.85 84.86 0.01 15.12 0.12 0.61 84.90 13.80 0.56 0.00 0.00 0.01 31 G C T 43.33 4.08 23.09 27.56 98.82 -98.72 90.42 11.16 99.83 0.01 0.16 0.32 0.78 98.82 0.06 0.02 0.00 0.00 0.00 32 G C C 5.75 22.85 11.34 33.65 125.95 131.28 -88.04 167.08 89.50 10.49 0.01 86.51 2.51 0.07 0.00 0.01 0.00 10.76 0.15 33 V E E 62.73 6.47 26.00 33.34 122.62 -132.82 -120.26 134.89 6.48 93.52 0.00 6.34 0.17 0.00 0.00 0.00 0.00 93.03 0.45 34 I E E 41.57 20.80 14.10 34.41 109.81 -127.57 -81.06 120.54 1.63 98.37 0.00 1.65 0.02 0.00 0.00 0.00 0.00 98.28 0.05 35 R E E 113.32 6.18 19.91 27.18 100.36 175.89 -94.79 -33.06 2.99 97.01 0.00 2.04 0.61 0.03 0.00 0.00 0.00 97.31 0.01 36 D E E 66.69 4.40 23.83 28.89 141.63 -6.07 -159.65 156.11 0.97 99.03 0.00 0.69 0.11 0.01 0.00 0.00 0.00 99.19 0.00 37 I E E 51.71 21.76 11.67 31.96 125.29 -156.61 -130.75 130.45 0.64 99.36 0.00 0.59 0.02 0.00 0.00 0.00 0.00 99.38 0.01 38 K E E 104.60 4.66 22.97 28.11 122.58 -175.26 -125.66 131.10 1.57 98.43 0.00 1.35 0.07 0.00 0.00 0.00 0.00 98.56 0.03 39 N E E 80.19 12.32 15.47 28.10 110.90 -128.11 -81.47 123.44 9.06 90.94 0.00 8.14 0.27 0.01 0.00 0.00 0.00 91.52 0.07 40 W E E 95.83 11.33 15.71 28.06 99.66 173.52 -99.12 -4.57 30.35 69.63 0.02 27.38 1.42 0.11 0.00 0.02 0.00 70.83 0.25 41 G E E 25.35 4.90 19.86 25.80 132.89 -103.78 111.63 -171.32 13.85 86.13 0.02 9.57 3.93 0.36 0.00 0.02 0.00 85.90 0.23 42 T E E 80.27 8.71 16.54 26.38 120.69 -47.20 -102.48 136.25 6.96 93.03 0.01 5.82 0.80 0.04 0.00 0.01 0.00 93.14 0.18 43 F E E 57.73 13.38 15.42 29.68 130.71 -175.87 -133.53 148.41 3.51 96.49 0.00 3.21 0.17 0.01 0.00 0.00 0.00 96.35 0.26 44 L E E 102.41 4.91 21.56 27.18 114.60 -113.52 -80.65 136.72 7.66 92.33 0.00 7.71 0.14 0.01 0.00 0.00 0.00 91.51 0.63 45 L C C 15.36 22.66 10.07 32.11 114.00 -119.54 -78.09 135.94 66.23 33.72 0.05 63.99 1.08 0.08 0.01 0.03 0.00 34.34 0.48 46 P C C 77.81 5.61 18.90 25.24 94.24 -133.31 -70.59 -22.27 77.65 22.28 0.07 41.47 33.86 0.97 0.01 0.07 0.00 23.20 0.42 47 R E E 121.36 4.40 18.34 23.72 130.56 22.07 -135.36 148.12 48.13 51.77 0.10 19.45 29.30 1.02 0.01 0.08 0.00 49.07 1.05 48 P E E 73.30 7.83 15.43 24.41 113.89 -101.67 -65.73 144.69 41.46 58.33 0.21 40.04 1.08 0.17 0.07 0.10 0.00 56.63 1.89 49 I E E 46.04 13.14 10.51 24.54 120.45 -144.91 -107.04 139.61 23.16 76.41 0.43 19.17 2.08 0.38 0.28 0.22 0.00 63.07 14.80 50 S C C 56.00 5.03 12.85 19.52 122.94 -150.06 -103.51 160.27 57.91 41.50 0.59 52.15 3.42 0.88 0.19 0.38 0.00 40.58 2.39 51 T C T 92.16 4.94 10.11 16.72 99.41 -103.22 -76.98 -4.75 85.31 11.18 3.50 24.72 14.47 46.34 0.60 2.80 0.00 10.11 0.94 52 N C T 125.12 1.43 11.32 13.22 97.17 31.89 -80.54 15.96 96.58 0.70 2.73 22.75 14.40 59.50 0.48 2.19 0.00 0.47 0.20 53 Q C C 141.90 2.23 11.15 14.75 95.46 -97.14 65.46 23.15 93.12 3.72 3.16 35.09 31.04 27.06 0.40 2.95 0.00 2.79 0.67 54 Q C C 91.78 4.93 11.20 18.17 119.77 138.04 -95.37 140.65 69.61 29.74 0.65 55.64 8.37 3.88 0.14 0.53 0.00 30.06 1.38 55 R E E 126.50 6.87 13.98 22.51 118.18 -141.10 -102.85 132.56 26.29 73.40 0.32 21.62 3.33 0.85 0.13 0.23 0.00 68.46 5.36 56 H E E 43.84 14.20 13.15 28.27 119.94 -158.74 -110.16 133.31 25.93 73.94 0.13 23.27 1.88 0.30 0.04 0.09 0.00 72.72 1.70 57 N E E 76.79 8.98 18.66 28.38 103.72 -176.50 -103.01 -10.56 41.31 58.62 0.07 23.25 16.83 0.76 0.01 0.06 0.00 58.76 0.33 58 R E E 100.23 8.19 21.52 30.35 131.51 51.67 -133.43 148.85 16.88 83.09 0.03 12.08 4.57 0.25 0.00 0.03 0.00 82.85 0.23 59 G E E 7.38 18.92 17.99 36.52 140.99 162.45 -153.36 174.22 4.77 95.23 0.00 4.06 0.37 0.02 0.00 0.00 0.00 95.46 0.09 60 H E E 31.47 14.99 22.70 38.30 130.00 -126.56 -128.70 147.17 0.77 99.23 0.00 0.67 0.03 0.00 0.00 0.00 0.00 99.28 0.02 61 Y E E 36.55 17.51 21.63 39.02 123.42 -153.04 -115.81 136.42 0.41 99.59 0.00 0.36 0.01 0.00 0.00 0.00 0.00 99.62 0.01 62 F E E 17.73 19.42 21.15 40.68 126.87 -169.93 -123.85 139.07 0.29 99.71 0.00 0.26 0.01 0.00 0.00 0.00 0.00 99.73 0.00 63 V E E 24.16 15.03 24.07 39.60 118.58 -156.93 -109.59 127.42 0.33 99.67 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.69 0.00 64 M E E 11.65 21.99 20.75 42.65 123.32 -168.81 -116.43 133.54 0.33 99.67 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.69 0.00 65 R E E 70.54 13.03 25.69 38.47 122.10 -165.02 -116.74 131.99 0.16 99.84 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.84 0.00 66 Y E E 14.26 22.52 19.06 41.44 131.29 -176.33 -132.43 146.89 0.32 99.68 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.68 0.01 67 D E E 55.74 9.95 25.74 35.97 118.82 -155.90 -111.21 130.28 3.97 96.02 0.00 3.10 0.64 0.03 0.00 0.00 0.00 96.10 0.13 68 A E E 10.66 20.49 15.41 35.91 139.23 154.40 -148.64 163.51 36.34 63.62 0.03 30.57 5.23 0.11 0.01 0.02 0.00 63.09 0.97 69 S C C 44.50 5.98 21.14 27.63 115.90 -95.00 -69.10 153.22 94.66 5.27 0.07 94.09 0.63 0.05 0.03 0.01 0.00 5.03 0.15 70 I H H 94.12 8.41 15.61 25.18 92.00 -110.73 -58.93 -36.53 6.58 0.02 93.40 0.87 0.91 4.49 92.58 1.11 0.01 0.01 0.01 71 A H H 68.88 2.01 20.94 21.79 91.54 54.96 -64.41 -38.92 5.01 0.01 94.97 0.52 0.47 3.77 93.97 1.24 0.01 0.01 0.00 72 T H H 21.19 15.01 16.61 32.24 92.39 48.68 -67.00 -40.84 1.83 0.01 98.15 0.44 0.18 1.09 97.07 1.21 0.00 0.00 0.00 73 H H H 33.90 19.27 15.87 34.51 91.66 52.80 -62.46 -42.94 0.23 0.00 99.77 0.05 0.01 0.11 99.74 0.09 0.00 0.00 0.00 74 E H H 106.37 2.74 23.00 24.91 91.68 50.62 -64.00 -41.14 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 75 E H H 84.30 5.15 21.93 27.40 91.60 49.75 -64.54 -41.70 0.09 0.00 99.91 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 76 V H H 4.44 24.10 15.82 40.21 91.52 49.76 -64.08 -43.31 0.10 0.00 99.90 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 77 R H H 90.08 13.60 19.85 32.81 91.34 51.80 -62.04 -41.63 0.15 0.00 99.85 0.01 0.01 0.09 99.87 0.02 0.00 0.00 0.00 78 R H H 143.13 1.53 23.04 22.45 91.92 49.64 -64.59 -41.49 0.39 0.00 99.61 0.03 0.02 0.27 99.63 0.06 0.00 0.00 0.00 79 T H H 40.38 10.47 19.00 30.34 92.16 48.81 -65.74 -41.47 0.71 0.00 99.29 0.05 0.03 0.52 99.22 0.18 0.00 0.00 0.00 80 M H H 13.63 22.68 13.19 35.49 91.97 50.83 -66.11 -37.42 2.42 0.00 97.58 0.15 0.11 1.99 96.72 1.02 0.00 0.00 0.00 81 K H H 126.06 5.85 17.63 24.75 91.27 56.35 -67.11 -27.10 19.81 0.01 80.19 0.32 0.38 19.54 78.59 1.17 0.00 0.00 0.00 82 A H H 79.96 2.26 18.00 20.07 93.39 53.74 -81.89 -12.31 44.34 0.02 55.64 0.62 1.62 41.66 54.82 1.24 0.01 0.01 0.02 83 D C C 36.44 15.81 9.55 25.36 110.53 90.73 -93.56 115.00 99.39 0.29 0.33 77.70 21.34 0.33 0.25 0.09 0.00 0.09 0.21 84 P C T 103.15 2.93 17.18 21.48 92.32 -156.97 -66.17 -19.07 91.85 0.21 7.94 2.37 5.90 83.35 1.41 6.76 0.00 0.13 0.07 85 R C T 102.76 10.41 15.90 27.02 93.25 63.55 -83.80 -7.77 89.65 1.40 8.94 2.99 5.53 81.42 1.62 7.02 0.00 1.20 0.22 86 V E E 24.10 20.57 11.69 31.97 111.70 97.90 -85.60 120.73 28.91 65.98 5.11 21.93 6.22 2.47 2.53 2.73 0.01 60.25 3.85 87 I E E 80.62 8.42 19.75 28.81 101.49 177.18 -94.50 -32.02 23.85 74.42 1.73 19.95 2.95 0.69 1.19 0.59 0.00 73.89 0.74 88 R E E 103.99 7.92 21.11 29.63 137.01 -0.83 -148.05 148.09 15.85 82.76 1.39 13.31 1.70 0.56 0.75 0.48 0.00 82.86 0.32 89 T E E 52.96 18.66 13.85 31.42 130.87 -170.69 -136.73 142.77 12.83 86.10 1.07 11.26 0.96 0.34 0.60 0.31 0.00 86.25 0.28 90 A E E 45.45 8.51 20.86 30.44 131.21 -174.57 -136.44 146.35 9.22 89.97 0.82 7.64 0.94 0.33 0.43 0.25 0.00 90.21 0.20 91 N E E 76.72 13.50 16.06 29.73 123.93 -156.62 -119.61 134.18 5.55 94.09 0.36 4.97 0.34 0.10 0.22 0.09 0.00 94.09 0.18 92 V E E 52.12 11.36 17.62 30.05 124.89 -171.18 -124.89 134.51 6.39 93.32 0.29 5.83 0.42 0.13 0.18 0.09 0.00 93.03 0.32 93 K E E 113.71 7.44 18.23 26.87 113.48 -134.14 -87.32 127.29 16.06 83.48 0.46 14.38 1.21 0.36 0.23 0.20 0.00 83.07 0.55 94 L C C 53.74 14.76 12.47 27.33 103.98 -153.73 -88.54 21.17 62.89 33.12 3.99 48.86 7.51 5.33 1.49 2.19 0.00 33.25 1.37 95 G C C 38.23 5.78 14.97 22.01 118.83 -120.19 93.95 -169.70 81.27 11.55 7.17 43.08 21.19 18.31 2.48 4.23 0.01 9.03 1.68 96 D C T 113.38 2.53 14.88 18.09 100.14 -38.06 -85.15 13.15 76.51 3.22 20.27 22.27 25.39 29.91 10.43 8.81 0.05 1.82 1.33 97 G C T 43.58 6.51 13.89 21.49 97.98 -76.54 77.60 -2.53 68.54 2.57 28.89 19.53 23.11 27.07 17.66 10.01 0.09 1.38 1.15 98 K C H 106.23 7.11 15.67 23.68 99.56 102.86 -74.32 -24.83 50.51 6.79 42.70 27.47 12.25 12.54 31.93 9.40 0.15 4.43 1.82 99 L H H 53.34 14.68 12.85 27.14 95.65 61.10 -70.66 -34.16 34.84 9.23 55.93 22.19 7.18 7.49 44.82 9.36 0.16 7.08 1.72 100 E H H 104.07 5.52 17.62 23.78 93.97 59.08 -67.46 -36.65 30.10 9.38 60.52 19.43 5.46 6.84 48.73 10.06 0.10 8.13 1.25 101 T H H 60.85 7.44 17.07 25.31 94.86 52.17 -70.31 -34.84 27.73 10.87 61.40 17.18 4.99 7.09 49.44 10.10 0.12 9.70 1.38 102 L H H 46.87 15.30 13.59 28.52 95.53 54.95 -71.95 -30.51 28.82 9.43 61.75 17.55 5.59 7.64 50.17 9.43 0.14 7.95 1.53 103 S H H 57.72 8.50 15.09 24.44 97.30 60.87 -77.67 -19.05 39.77 8.73 51.51 23.67 7.12 10.43 42.47 7.62 0.11 7.00 1.59 104 R C H 147.16 3.85 15.90 20.71 99.55 64.03 -81.50 -13.66 48.10 10.93 40.97 25.96 9.11 14.37 32.82 7.17 0.18 8.13 2.26 105 F C C 101.35 10.01 11.99 22.55 104.70 66.14 -86.56 22.95 63.90 7.61 28.49 33.48 11.11 19.48 24.18 4.61 0.07 4.81 2.27 106 G C C 44.09 5.18 14.97 21.36 111.48 -66.83 86.53 -81.51 87.93 3.12 8.95 39.79 21.05 27.71 5.79 2.84 0.00 1.90 0.91 107 A C C 71.14 5.64 15.19 22.18 115.05 -22.17 -93.34 133.66 90.28 4.84 4.89 52.23 26.46 12.02 2.36 2.37 0.00 2.96 1.59 108 I C C 57.22 13.29 11.25 25.03 116.89 -140.16 -96.55 131.57 94.39 4.26 1.34 76.23 17.36 1.01 1.00 0.42 0.00 2.60 1.38 109 P C C 74.56 4.87 17.39 23.04 112.27 -122.23 -73.59 141.15 92.37 3.38 4.25 86.70 3.61 2.47 2.68 1.27 0.00 2.12 1.15 110 W C C 103.09 13.22 11.42 24.55 99.55 -133.53 -71.68 -22.27 65.09 2.98 31.93 41.99 8.92 14.19 16.75 15.10 0.01 1.70 1.34 111 R C C 138.61 4.64 14.42 20.24 101.01 66.31 -79.35 -14.72 57.99 3.70 38.31 30.76 11.10 16.86 21.22 16.40 0.04 2.32 1.31 112 S C C 57.93 5.75 12.10 19.36 101.55 70.86 -78.56 -14.55 50.34 4.21 45.45 28.20 10.81 12.02 26.70 18.23 0.05 2.62 1.37 113 L C H 93.33 6.99 10.27 18.49 99.15 65.88 -76.74 -22.07 49.12 3.69 47.19 28.07 11.27 11.07 31.61 14.50 0.06 2.21 1.19 114 E C C 128.70 3.27 10.73 15.57 100.15 64.44 -78.58 -11.74 55.36 4.35 40.28 34.38 8.91 12.71 27.48 12.28 0.04 2.78 1.41 115 E C C 133.34 2.83 9.96 14.35 103.64 66.25 -82.09 14.03 68.95 2.56 28.49 55.79 2.40 12.04 19.61 7.44 0.00 1.54 1.17 116 A C C 71.60 5.36 11.04 17.87 104.81 63.24 -77.99 52.19 99.84 0.05 0.11 99.60 0.12 0.18 0.07 0.01 0.00 0.02 0.01