# 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 98.54 8.68 15.12 24.54 113.87 -160.36 -95.53 125.67 99.86 0.13 0.01 99.81 0.07 0.03 0.00 0.00 0.00 0.06 0.01 1 L C C 102.65 6.77 15.23 23.03 113.81 -153.79 -89.17 124.60 87.17 12.24 0.59 85.05 2.09 0.81 0.33 0.19 0.00 6.30 5.24 2 M C C 41.15 17.47 9.07 25.56 119.32 -133.00 -92.11 139.19 93.14 6.73 0.13 65.59 28.39 0.24 0.08 0.04 0.00 4.11 1.53 3 P C C 65.35 4.01 16.39 21.36 114.97 -104.33 -64.33 150.67 97.30 2.44 0.26 97.34 0.56 0.10 0.17 0.03 0.00 1.21 0.59 4 K H H 138.36 4.79 12.56 19.51 91.60 -111.29 -57.30 -38.48 5.31 0.02 94.67 0.76 0.76 3.58 90.85 4.03 0.00 0.01 0.01 5 K H H 147.39 1.50 16.98 18.17 91.40 54.09 -64.53 -36.50 4.02 0.01 95.97 0.38 0.38 3.06 91.68 4.48 0.01 0.00 0.01 6 N H H 43.80 12.32 14.95 28.04 93.47 47.44 -73.20 -32.06 3.07 0.03 96.91 0.70 0.35 1.87 91.82 5.23 0.00 0.02 0.01 7 R H H 57.18 18.01 16.16 33.23 91.91 57.34 -62.22 -42.85 0.88 0.01 99.11 0.33 0.10 0.36 98.97 0.24 0.00 0.00 0.00 8 I H H 75.96 6.93 22.22 29.61 91.57 50.41 -63.93 -41.58 0.22 0.00 99.78 0.04 0.01 0.11 99.77 0.07 0.00 0.00 0.00 9 A H H 33.37 7.14 22.73 30.89 91.50 50.67 -63.77 -41.93 0.14 0.00 99.86 0.02 0.00 0.08 99.83 0.07 0.00 0.00 0.00 10 I H H 7.33 23.00 19.92 42.81 92.11 49.11 -64.18 -44.09 0.14 0.00 99.86 0.01 0.00 0.11 99.82 0.07 0.00 0.00 0.00 11 Y H H 34.93 20.07 21.77 40.60 91.50 50.42 -63.08 -42.38 0.23 0.00 99.77 0.02 0.01 0.17 99.73 0.08 0.00 0.00 0.00 12 E H H 87.04 5.95 24.79 30.97 91.56 50.78 -63.93 -41.57 0.25 0.00 99.75 0.01 0.01 0.21 99.66 0.11 0.00 0.00 0.00 13 L H H 30.01 12.26 22.08 35.13 91.77 50.26 -64.68 -42.53 0.44 0.00 99.56 0.02 0.02 0.40 99.31 0.25 0.00 0.00 0.00 14 L H H 3.94 25.23 17.71 43.02 91.75 49.63 -64.66 -42.44 1.16 0.00 98.83 0.08 0.08 0.99 98.23 0.61 0.00 0.00 0.00 15 F H H 55.90 17.21 19.48 35.56 92.70 46.71 -67.77 -39.27 3.85 0.02 96.13 0.30 0.28 3.22 94.28 1.88 0.02 0.01 0.01 16 K H H 132.01 3.04 23.16 26.25 93.53 47.47 -70.82 -36.35 11.96 0.04 88.01 0.50 0.74 10.80 86.21 1.67 0.04 0.01 0.02 17 E H H 76.29 10.39 20.42 31.05 96.88 34.00 -95.49 -10.74 36.54 0.11 63.35 1.31 3.34 30.94 62.71 1.52 0.06 0.03 0.08 18 G C T 11.30 16.12 21.70 37.93 98.64 -113.00 81.91 14.60 97.84 1.53 0.64 25.96 14.37 57.74 0.23 0.28 0.00 1.25 0.16 19 V E E 10.59 22.45 22.55 44.48 124.12 132.63 -113.24 139.10 40.28 59.65 0.07 35.95 2.84 0.20 0.01 0.05 0.00 60.13 0.81 20 M E E 10.25 22.84 25.47 47.40 122.83 -159.86 -113.25 136.18 4.75 95.23 0.02 4.49 0.24 0.02 0.01 0.01 0.00 94.75 0.48 21 V E E 21.45 19.95 26.51 45.29 120.18 -156.91 -110.07 130.17 3.08 96.90 0.02 2.91 0.15 0.02 0.01 0.01 0.00 96.43 0.47 22 A E E 6.75 22.97 18.04 40.88 120.54 -146.69 -93.71 143.95 15.97 83.97 0.06 15.28 0.63 0.06 0.02 0.03 0.00 82.94 1.04 23 K C E 106.95 8.23 23.09 31.41 102.89 -126.65 -75.92 -13.41 56.59 42.83 0.59 35.14 20.02 2.52 0.11 0.51 0.00 40.40 1.30 24 K C S 97.03 9.80 19.75 29.58 119.68 -10.47 -101.27 139.48 89.55 8.89 1.56 24.58 56.79 8.27 0.23 1.31 0.00 7.47 1.36 25 D C C 49.42 13.75 15.51 29.44 108.16 -120.93 -98.92 105.24 93.94 4.30 1.76 79.51 10.37 3.73 0.36 1.59 0.00 2.66 1.77 26 V C T 68.01 11.10 15.54 27.49 96.45 -173.43 -78.07 -13.97 95.36 2.20 2.44 22.59 25.08 47.73 0.39 2.14 0.00 1.21 0.85 27 H C T 127.55 4.40 18.04 23.23 99.98 58.13 -94.03 10.89 95.76 1.67 2.57 21.12 26.59 48.02 0.44 2.18 0.00 0.87 0.79 28 M C C 50.30 15.31 9.81 24.98 115.91 120.77 -80.06 137.85 89.44 1.53 9.03 55.62 27.68 5.56 1.04 8.35 0.00 0.60 1.15 29 P C C 86.79 3.87 17.34 21.86 110.93 -108.62 -65.85 148.14 89.35 0.73 9.91 51.80 12.60 23.21 0.90 10.72 0.00 0.38 0.38 30 K C C 132.33 5.68 15.47 22.56 108.55 -98.91 -77.19 128.41 84.72 1.71 13.57 38.11 20.80 25.16 1.37 12.76 0.00 0.72 1.09 31 H C C 43.48 16.12 9.95 25.73 108.50 -128.77 -107.60 98.57 97.80 0.56 1.64 81.34 15.56 0.88 0.99 0.51 0.00 0.16 0.56 32 P H G 88.90 2.73 16.96 20.17 93.25 -157.80 -62.20 -32.84 32.00 0.15 67.84 4.63 3.00 22.00 26.78 43.41 0.01 0.08 0.09 33 E H G 104.20 4.37 16.01 21.45 91.92 57.37 -67.50 -29.05 29.31 0.15 70.54 1.99 2.40 22.59 29.21 43.60 0.02 0.08 0.10 34 L H G 16.89 18.50 9.84 27.91 95.67 49.80 -80.90 -26.49 23.82 0.37 75.81 3.96 3.32 14.97 32.38 44.97 0.02 0.19 0.18 35 A H H 56.91 8.11 12.99 22.47 93.01 67.52 -64.17 -33.16 45.08 0.47 54.46 6.66 5.20 30.64 33.63 23.20 0.08 0.23 0.37 36 D C T 121.43 1.05 15.74 15.65 95.22 49.95 -81.03 -9.12 60.01 0.40 39.58 5.99 7.04 45.37 21.62 19.35 0.05 0.19 0.40 37 K C T 106.64 7.60 12.76 21.40 101.27 61.23 -93.96 7.85 78.59 0.56 20.84 11.32 25.49 42.55 9.60 10.17 0.01 0.23 0.63 38 N C T 126.16 2.33 18.30 21.16 98.06 -121.74 15.65 40.98 98.46 0.34 1.19 29.14 18.87 50.54 0.31 0.80 0.00 0.18 0.17 39 V C C 17.44 19.99 11.15 30.97 115.39 152.37 -95.86 126.15 98.57 1.27 0.16 81.19 17.13 0.23 0.11 0.05 0.00 0.41 0.89 40 P C C 51.53 6.21 23.44 30.35 111.95 -115.90 -67.70 140.64 98.10 1.36 0.54 97.80 0.47 0.14 0.37 0.04 0.00 0.32 0.86 41 N H H 40.51 19.74 15.53 34.43 92.78 -125.47 -60.62 -37.43 4.33 0.02 95.65 2.10 0.74 1.48 95.00 0.66 0.00 0.01 0.01 42 L H H 84.10 6.11 22.81 29.29 91.43 57.70 -63.56 -37.01 0.63 0.00 99.37 0.11 0.05 0.36 98.97 0.51 0.00 0.00 0.00 43 H H H 63.49 10.37 22.51 33.25 91.76 51.17 -65.36 -40.57 0.20 0.00 99.80 0.03 0.01 0.12 99.23 0.60 0.00 0.00 0.00 44 V H H 2.26 26.15 17.89 44.52 91.21 49.71 -63.45 -43.63 0.11 0.00 99.89 0.02 0.01 0.06 99.74 0.17 0.00 0.00 0.00 45 M H H 45.89 15.59 22.08 37.03 91.34 50.78 -62.78 -42.30 0.11 0.00 99.89 0.01 0.00 0.07 99.77 0.14 0.00 0.00 0.00 46 K H H 113.13 3.18 26.11 28.92 91.42 50.51 -64.03 -41.00 0.36 0.00 99.64 0.02 0.01 0.28 99.32 0.37 0.00 0.00 0.00 47 A H H 13.28 16.96 20.42 37.58 91.84 50.29 -65.03 -40.47 1.63 0.00 98.37 0.06 0.05 1.41 97.70 0.77 0.00 0.00 0.00 48 M H H 7.77 24.31 17.25 41.29 92.27 50.86 -72.20 -28.56 9.47 0.03 90.51 0.78 0.66 7.69 88.76 2.08 0.02 0.01 0.01 49 Q H H 95.89 7.49 21.63 29.76 92.56 67.97 -62.09 -39.04 28.97 0.35 70.67 3.89 2.74 21.78 63.07 8.07 0.09 0.18 0.18 50 S H H 54.38 4.89 21.50 26.44 92.27 52.87 -67.27 -34.56 41.02 0.72 58.25 6.42 4.74 29.25 48.96 9.80 0.11 0.42 0.32 51 L H H 15.26 20.36 13.63 33.73 93.44 55.79 -69.70 -32.42 38.05 4.00 57.95 17.60 7.88 14.05 42.68 13.73 0.22 2.43 1.40 52 K H H 100.34 11.69 15.82 27.51 92.70 62.18 -63.97 -38.76 35.35 10.35 54.30 18.60 6.70 12.45 37.01 14.84 0.32 7.58 2.51 53 S H H 84.95 1.89 17.42 19.20 90.76 56.17 -68.45 -20.51 37.85 16.71 45.44 12.22 8.07 19.05 26.35 16.65 1.56 11.00 5.09 54 R C T 121.91 6.50 14.92 22.78 93.06 57.15 -88.60 3.03 82.79 1.49 15.72 3.44 11.00 68.97 7.00 7.72 0.09 0.85 0.92 55 G C T 46.65 4.44 19.08 24.34 94.58 -110.32 80.56 11.73 97.70 0.25 2.05 2.42 12.16 83.59 0.34 1.25 0.00 0.14 0.10 56 Y C S 40.72 16.43 16.04 33.02 97.28 116.13 -88.14 -22.65 81.71 17.48 0.81 16.41 51.68 14.14 0.19 0.64 0.00 15.14 1.79 57 V E E 7.46 23.49 12.70 36.40 132.82 32.91 -134.31 148.31 23.21 76.60 0.19 16.68 6.77 0.56 0.09 0.13 0.00 71.51 4.27 58 K E E 108.37 4.76 23.70 28.82 123.12 -150.08 -110.55 141.91 11.75 88.23 0.01 10.89 0.57 0.04 0.00 0.01 0.00 88.09 0.40 59 E E E 82.74 16.25 14.06 29.44 122.34 -140.45 -109.28 136.39 5.61 94.39 0.01 5.34 0.22 0.01 0.00 0.00 0.00 94.29 0.13 60 Q E E 82.30 6.74 16.94 25.14 126.10 -172.76 -127.03 138.03 4.38 95.61 0.01 3.92 0.33 0.03 0.00 0.00 0.00 95.60 0.12 61 F E E 116.82 7.79 12.45 21.77 117.91 -142.05 -103.16 131.35 13.13 86.85 0.02 11.19 1.21 0.12 0.00 0.02 0.00 86.78 0.67 62 A C C 47.57 7.47 10.63 19.85 118.23 -176.43 -120.92 127.34 59.60 40.32 0.08 51.03 6.52 0.46 0.01 0.07 0.00 41.14 0.77 63 W C S 191.47 2.34 12.82 15.72 101.23 -72.31 -14.33 -28.46 94.74 4.35 0.91 17.12 56.39 21.39 0.08 0.83 0.00 3.66 0.52 64 R C S 166.20 2.73 13.95 17.40 100.47 -9.65 -89.25 -13.81 97.77 1.47 0.77 10.09 61.33 26.42 0.06 0.72 0.00 1.18 0.20 65 H C E 72.04 9.07 13.71 24.25 128.48 44.20 -128.14 148.09 62.28 37.08 0.64 23.95 25.70 12.94 0.05 0.71 0.00 35.93 0.73 66 F E E 50.86 13.00 15.66 30.08 119.80 -137.27 -106.67 133.91 12.89 87.09 0.03 11.31 1.06 0.13 0.00 0.02 0.00 87.15 0.32 67 Y E E 34.67 14.62 19.52 35.25 127.20 -172.69 -124.24 142.91 1.38 98.62 0.00 1.26 0.05 0.00 0.00 0.00 0.00 98.64 0.04 68 W E E 25.53 19.10 20.20 39.52 122.36 -153.78 -110.52 137.46 0.68 99.32 0.00 0.60 0.02 0.00 0.00 0.00 0.00 99.36 0.01 69 Y E E 45.55 14.81 25.00 39.72 125.06 -166.27 -120.10 137.84 2.20 97.80 0.00 2.00 0.07 0.00 0.00 0.00 0.00 97.81 0.11 70 L E E 7.74 23.84 17.60 42.01 114.35 -127.17 -84.87 132.38 14.43 85.57 0.00 14.31 0.23 0.01 0.00 0.00 0.00 84.16 1.28 71 T C C 28.49 11.21 21.77 33.88 124.76 -141.52 -88.75 169.62 92.02 7.91 0.07 91.65 1.07 0.04 0.04 0.02 0.00 6.81 0.38 72 N H H 92.97 7.55 19.17 27.69 91.22 -97.61 -60.11 -38.26 2.20 0.00 97.79 0.35 0.36 1.30 97.69 0.30 0.00 0.00 0.00 73 E H H 105.55 3.06 23.22 25.69 91.50 52.65 -64.26 -40.22 0.52 0.00 99.48 0.03 0.03 0.41 99.31 0.22 0.00 0.00 0.00 74 G H H 3.23 20.57 16.60 37.79 91.51 50.78 -63.72 -43.06 0.31 0.00 99.69 0.03 0.02 0.19 99.52 0.24 0.00 0.00 0.00 75 I H H 16.11 20.10 17.86 37.86 91.58 50.23 -63.63 -42.39 0.14 0.00 99.86 0.02 0.01 0.07 99.86 0.05 0.00 0.00 0.00 76 Q H H 97.39 3.38 23.94 26.83 91.53 51.11 -63.65 -42.00 0.22 0.00 99.78 0.01 0.01 0.13 99.82 0.03 0.00 0.00 0.00 77 Y H H 71.11 8.13 21.37 30.49 91.79 49.11 -64.35 -42.69 0.39 0.00 99.60 0.03 0.01 0.28 99.64 0.05 0.00 0.00 0.00 78 L H H 6.19 23.25 16.26 39.62 91.64 48.38 -64.75 -42.58 0.31 0.00 99.69 0.02 0.01 0.21 99.68 0.07 0.00 0.00 0.00 79 R H H 70.87 13.16 16.88 30.27 91.95 50.40 -64.05 -41.19 0.31 0.00 99.69 0.02 0.02 0.22 99.66 0.09 0.00 0.00 0.00 80 D H H 104.91 1.54 20.44 20.62 93.57 46.19 -67.73 -39.65 0.95 0.00 99.05 0.03 0.03 0.85 98.93 0.16 0.00 0.00 0.00 81 Y H H 95.64 9.61 17.02 27.23 97.43 39.99 -80.01 -38.15 5.38 0.01 94.62 0.08 0.19 5.31 94.15 0.26 0.01 0.00 0.00 82 L H H 31.22 16.85 14.03 31.19 98.35 32.18 -100.12 -7.93 43.09 0.16 56.75 1.58 5.15 34.61 57.68 0.75 0.05 0.04 0.14 83 H C T 141.21 3.02 20.27 23.70 93.90 -125.93 58.36 39.55 99.52 0.07 0.41 33.79 3.63 62.23 0.17 0.11 0.00 0.03 0.03 84 L C C 24.41 18.47 9.67 27.86 121.47 157.59 -89.74 142.00 99.78 0.19 0.03 89.59 10.08 0.09 0.01 0.01 0.00 0.05 0.18 85 P C C 61.41 3.96 19.58 23.90 113.86 -103.35 -64.47 144.95 99.90 0.04 0.06 99.65 0.24 0.05 0.01 0.01 0.00 0.01 0.02 86 P H G 75.10 12.00 11.45 23.88 91.32 -118.49 -58.34 -31.29 30.48 0.06 69.46 0.99 1.62 24.51 1.18 71.66 0.00 0.03 0.01 87 E H G 153.77 1.11 18.01 18.27 90.06 62.94 -69.20 -18.41 29.99 0.08 69.94 0.58 1.37 25.81 1.29 70.89 0.00 0.05 0.01 88 I H G 69.31 10.41 15.15 26.31 96.54 50.71 -92.19 -12.79 29.89 0.24 69.86 1.55 3.25 22.77 1.68 70.55 0.00 0.14 0.06 89 V C S 19.05 20.93 10.34 30.51 116.95 90.24 -94.05 131.24 98.39 0.97 0.64 15.98 82.19 0.34 0.53 0.08 0.00 0.21 0.67 90 P C C 39.31 8.39 15.41 26.05 113.25 -111.67 -64.34 144.85 94.42 2.99 2.59 91.58 2.23 0.83 0.90 1.18 0.00 1.08 2.20 91 A H G 74.52 4.57 14.14 20.36 91.85 -121.62 -59.98 -30.57 29.96 0.36 69.67 4.25 4.65 19.90 3.64 67.23 0.00 0.22 0.11 92 T H G 86.96 3.76 14.55 19.53 91.27 63.98 -70.68 -19.16 29.99 0.38 69.63 3.82 4.00 20.91 4.04 66.90 0.00 0.23 0.11 93 L H G 52.02 14.60 10.24 24.55 96.22 58.15 -86.18 -7.33 29.20 1.20 69.60 11.55 5.91 11.83 3.61 66.12 0.00 0.70 0.26 94 R C C 129.85 8.00 11.32 20.60 108.97 93.55 -81.30 118.40 83.42 4.21 12.36 71.00 5.85 6.54 5.12 6.47 0.00 1.69 3.34 95 R C C 160.70 3.59 13.73 19.02 109.45 -134.35 -82.76 120.30 99.90 0.07 0.03 99.81 0.08 0.05 0.01 0.00 0.00 0.03 0.01