# 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 G C C 46.00 4.72 12.50 18.78 120.89 -158.40 138.28 176.85 99.82 0.16 0.02 99.70 0.13 0.05 0.01 0.00 0.00 0.08 0.02 1 S C C 84.38 2.95 10.34 14.97 113.98 -100.00 -95.25 135.78 83.85 7.76 8.39 74.89 2.46 7.25 2.83 4.44 0.00 5.57 2.56 2 M C C 126.24 4.23 8.42 14.38 112.80 -152.54 -94.24 122.51 76.50 13.00 10.49 48.61 14.78 13.66 2.82 7.53 0.02 9.34 3.26 3 D C C 105.08 3.10 10.35 15.08 110.25 -151.49 -93.23 112.23 75.62 13.33 11.05 53.47 11.69 10.20 3.03 8.15 0.01 9.95 3.50 4 V C C 97.31 5.77 8.80 16.03 107.12 -170.55 -90.36 65.34 80.72 11.17 8.11 43.73 16.83 21.10 2.41 5.30 0.02 7.52 3.09 5 D C C 109.84 2.72 11.90 15.91 103.88 88.25 -90.65 21.19 88.59 7.22 4.19 43.92 24.76 20.54 0.99 3.14 0.00 4.37 2.28 6 T C C 77.17 5.82 10.41 18.03 117.56 97.54 -97.82 133.28 95.24 4.34 0.42 60.07 34.75 0.90 0.17 0.22 0.00 1.94 1.95 7 P C C 78.19 6.14 10.57 18.45 112.94 -105.31 -65.80 148.17 93.25 2.57 4.18 74.84 8.94 9.17 1.08 3.22 0.00 1.46 1.29 8 S C T 87.15 2.81 11.29 15.88 108.66 -106.02 -74.60 135.23 85.80 2.88 11.32 32.73 16.92 36.52 2.21 8.76 0.00 1.48 1.36 9 G C T 55.31 2.96 12.14 16.13 104.98 17.98 83.57 -0.29 82.46 4.27 13.27 29.75 20.42 33.25 2.63 9.92 0.01 2.22 1.79 10 T C C 80.88 6.04 10.36 17.98 112.51 121.87 -92.28 131.74 78.16 6.79 15.05 46.06 17.82 14.27 4.13 10.88 0.01 3.50 3.33 11 N C C 105.14 4.50 11.06 17.21 110.17 -139.21 -93.53 109.31 80.58 6.76 12.66 43.24 19.32 18.57 4.04 8.16 0.02 3.38 3.27 12 S C C 73.53 5.26 10.48 17.29 104.91 -155.37 -84.80 30.15 82.22 4.53 13.26 34.60 21.70 26.95 3.69 8.73 0.02 2.24 2.08 13 G C C 53.30 3.61 11.42 16.40 104.31 -66.65 68.42 4.07 82.13 4.38 13.49 33.35 23.40 26.49 3.69 8.86 0.02 2.12 2.06 14 A C C 78.89 3.29 10.30 15.25 108.85 97.87 -87.31 105.99 79.06 4.05 16.89 28.91 25.07 26.28 5.21 10.55 0.03 1.97 1.99 15 G C C 51.75 2.86 11.77 16.03 114.58 7.10 88.24 -152.75 78.77 4.28 16.95 31.25 25.40 23.41 5.50 10.40 0.03 2.31 1.69 16 K C C 139.48 3.68 11.76 17.14 114.45 -36.94 -88.91 136.46 73.33 9.40 17.27 45.28 17.73 10.88 8.16 8.92 0.04 6.32 2.68 17 K C C 119.84 6.62 11.83 19.90 116.18 -139.54 -91.92 133.05 65.69 19.55 14.76 50.14 9.10 5.85 9.30 5.88 0.03 16.21 3.49 18 R C C 129.69 7.87 13.59 22.38 115.30 -156.38 -99.63 131.72 51.71 31.78 16.51 34.81 11.67 5.19 12.98 4.44 0.08 27.60 3.23 19 F E E 75.75 12.60 12.23 25.31 122.67 -119.97 -119.59 137.81 38.57 46.00 15.43 29.64 5.25 3.05 12.88 3.51 0.03 42.91 2.72 20 E E E 114.69 4.93 17.46 23.63 119.86 -156.39 -110.87 132.36 34.33 51.62 14.05 27.47 3.25 2.16 12.06 2.75 0.01 50.49 1.81 21 V C E 50.44 14.65 10.50 25.12 114.95 -153.04 -99.06 126.72 38.73 37.58 23.69 31.01 3.50 2.88 18.97 4.70 0.02 37.51 1.42 22 K C C 128.97 4.11 15.66 20.58 107.83 -165.81 -92.59 11.92 45.44 28.59 25.97 28.55 8.93 7.06 20.16 6.03 0.09 27.86 1.31 23 K C C 126.61 4.36 15.05 20.26 115.16 -34.38 -102.45 129.73 45.08 28.14 26.79 29.08 8.15 7.38 20.60 6.58 0.10 26.49 1.61 24 W C C 118.02 11.20 11.16 22.58 109.41 -156.15 -92.96 103.87 42.70 25.54 31.76 28.61 6.95 6.40 26.54 5.78 0.09 23.53 2.10 25 N C C 86.05 5.91 14.38 21.31 111.04 106.06 -96.63 114.44 47.44 19.29 33.27 29.57 8.46 8.12 28.83 5.30 0.09 18.06 1.56 26 A H H 58.81 6.83 13.91 21.73 99.03 -107.50 -71.85 -29.20 35.75 19.65 44.60 19.74 7.46 8.57 37.19 6.87 0.17 18.54 1.47 27 V H H 71.25 8.22 14.38 23.46 99.57 59.51 -75.13 -34.08 23.37 28.87 47.76 13.73 4.15 5.32 40.61 6.43 0.10 28.35 1.30 28 A H H 46.61 9.35 14.16 24.42 101.12 65.39 -74.91 -29.61 19.48 33.06 47.46 11.55 3.17 4.37 40.17 6.77 0.08 32.75 1.12 29 L H H 79.74 8.34 15.55 24.61 100.96 68.84 -78.50 -23.59 18.22 36.40 45.38 10.54 3.01 4.25 39.13 6.33 0.08 35.53 1.13 30 W H H 118.22 8.68 16.01 25.37 102.17 65.05 -79.78 -14.25 19.92 38.26 41.82 11.61 3.33 4.57 36.75 5.70 0.09 36.53 1.43 31 A H E 39.34 12.37 14.88 27.65 100.55 74.15 -76.91 -23.89 26.20 35.40 38.40 15.18 4.59 5.92 32.88 5.89 0.11 33.92 1.53 32 W H E 111.38 11.04 16.04 27.28 100.89 62.27 -79.67 -16.67 31.37 33.48 35.15 15.61 6.27 8.60 29.78 5.97 0.15 32.22 1.40 33 D E E 82.90 7.38 18.60 26.43 102.23 66.05 -87.66 25.24 35.34 35.60 29.06 18.21 6.86 9.11 24.01 5.54 0.11 34.94 1.22 34 I E E 47.64 15.72 14.98 30.65 114.30 116.59 -97.84 121.77 28.00 49.02 22.98 18.50 4.34 4.11 20.41 3.74 0.03 47.44 1.43 35 V E E 61.68 10.61 19.11 30.14 114.40 -160.90 -100.20 123.48 27.54 53.88 18.57 19.98 3.38 2.96 17.57 2.81 0.02 50.76 2.53 36 V E E 38.82 16.37 14.19 30.45 113.74 -166.72 -104.17 118.41 40.61 41.49 17.90 29.55 5.20 4.49 15.39 3.67 0.04 39.43 2.23 37 D C C 89.81 6.09 18.30 25.10 106.51 125.80 -92.60 10.01 65.02 20.47 14.51 30.47 16.38 18.23 10.31 4.20 0.09 18.83 1.49 38 N C C 100.13 5.68 18.60 24.87 102.62 16.57 -95.30 40.31 74.39 11.94 13.67 33.62 20.83 20.54 8.88 4.70 0.08 9.53 1.81 39 C C C 22.51 17.86 12.09 29.66 113.31 145.07 -89.26 120.45 77.54 8.44 14.02 62.94 9.46 4.21 12.62 2.66 0.01 5.27 2.83 40 A H H 54.41 6.05 20.08 27.01 94.58 -145.25 -64.05 -34.67 26.88 3.38 69.74 9.66 6.78 12.79 58.77 8.33 0.45 2.23 0.99 41 I H H 45.94 12.98 18.79 32.03 93.72 52.37 -68.06 -39.90 21.99 4.38 73.64 5.80 4.36 13.12 60.78 10.37 1.04 3.53 1.01 42 C H H 14.94 19.75 16.43 35.78 94.51 47.40 -71.42 -37.63 20.63 5.34 74.03 7.65 4.00 10.28 60.63 11.21 0.49 4.77 0.98 43 R H H 102.75 10.94 19.31 30.10 93.54 52.49 -66.25 -40.37 19.84 3.01 77.15 7.49 4.34 9.73 67.59 7.26 0.45 2.38 0.76 44 N H H 89.93 4.42 21.45 25.80 95.89 41.97 -74.99 -37.63 30.37 2.08 67.55 5.52 5.35 20.24 61.14 5.02 0.60 1.46 0.67 45 H H H 66.17 11.50 20.37 31.87 98.75 40.44 -76.30 -38.95 30.81 2.40 66.79 6.82 4.87 19.96 61.91 3.62 0.48 1.61 0.73 46 I H H 10.85 22.80 17.64 39.97 92.85 50.20 -65.28 -43.50 12.08 3.13 84.80 4.37 2.22 5.96 82.30 1.98 0.33 2.34 0.50 47 M H H 62.83 12.34 20.93 33.22 91.76 51.51 -63.50 -41.83 8.09 2.49 89.42 3.21 1.27 3.97 86.68 2.12 0.25 2.23 0.26 48 D H H 76.48 3.55 24.20 27.29 91.83 49.75 -65.26 -40.86 7.29 1.75 90.96 2.96 1.12 3.65 88.03 2.25 0.12 1.70 0.18 49 L H H 25.19 14.94 20.38 35.72 91.92 49.47 -65.11 -42.27 6.38 1.39 92.23 2.29 1.05 3.39 89.74 1.95 0.13 1.28 0.16 50 C H H 11.40 20.41 18.13 38.36 91.91 50.74 -64.35 -42.27 7.54 1.70 90.76 3.36 1.16 3.36 88.66 1.63 0.08 1.57 0.18 51 I H H 77.03 5.75 22.49 28.42 91.82 49.46 -64.31 -42.14 5.75 1.60 92.65 2.51 0.96 2.67 90.47 1.66 0.07 1.51 0.15 52 E H H 98.00 3.82 22.89 26.44 91.94 48.91 -65.35 -40.87 6.52 1.39 92.09 2.67 1.02 3.22 89.69 1.87 0.06 1.32 0.15 53 C H H 14.79 16.98 15.74 33.27 92.24 50.04 -65.90 -40.41 10.60 1.14 88.26 4.17 1.56 5.41 85.25 2.37 0.07 1.00 0.19 54 Q H H 78.42 10.88 17.73 28.83 92.48 51.72 -65.75 -37.60 15.23 0.92 83.85 5.29 2.34 8.31 80.41 2.67 0.08 0.66 0.24 55 A H H 69.62 2.64 17.85 20.41 92.82 55.09 -67.82 -35.21 26.59 0.76 72.64 5.62 4.14 17.67 68.54 3.14 0.17 0.40 0.33 56 N H H 88.09 5.60 15.52 22.11 99.13 45.75 -88.95 -6.72 47.07 0.99 51.93 11.55 7.29 29.10 47.87 3.17 0.09 0.45 0.49 57 Q C H 82.06 11.71 12.31 24.09 98.26 93.73 -70.65 -22.14 57.60 2.20 40.20 29.67 11.97 17.63 33.39 5.22 0.05 0.93 1.14 58 A C T 72.89 3.65 14.75 19.49 96.16 78.16 -68.12 -31.00 63.50 1.85 34.64 21.09 12.09 31.05 25.70 8.14 0.07 0.92 0.95 59 S C T 74.51 3.52 14.71 19.04 99.17 51.34 -84.67 -9.31 70.32 1.87 27.81 24.05 13.76 33.40 18.50 8.35 0.05 0.89 1.01 60 A C C 45.23 11.59 9.77 21.77 106.58 91.53 -81.08 80.68 77.57 2.63 19.80 43.43 20.53 13.79 12.68 6.82 0.01 1.13 1.60 61 T C C 91.43 4.01 14.57 19.76 104.57 130.97 -88.68 13.15 81.97 3.34 14.70 48.69 18.61 14.61 8.89 5.74 0.01 1.54 1.91 62 S C C 63.71 6.64 13.23 20.99 107.28 78.05 -87.67 52.37 78.11 2.65 19.24 36.66 22.86 19.33 8.33 10.11 0.02 1.16 1.54 63 E C T 122.36 6.03 14.91 22.05 101.33 51.14 -79.18 -7.39 75.78 1.86 22.37 22.94 22.94 30.98 7.77 13.40 0.02 0.88 1.06 64 E C T 108.49 6.92 17.89 25.48 105.74 95.55 -86.54 27.04 74.67 4.30 21.03 27.31 20.34 28.70 6.39 13.26 0.03 2.46 1.51 65 C C C 23.05 19.52 14.54 33.29 117.94 96.63 -100.36 133.33 72.15 16.51 11.34 48.24 15.78 8.72 3.82 7.13 0.01 14.27 2.03 66 T E E 37.53 13.34 23.74 37.09 115.69 -160.82 -99.97 129.96 47.31 49.77 2.92 37.07 7.85 2.59 1.01 1.56 0.00 48.64 1.27 67 V E E 18.25 21.28 21.66 42.30 123.11 -153.95 -111.84 137.93 12.01 87.51 0.48 10.52 1.24 0.24 0.22 0.17 0.00 87.23 0.38 68 A E E 9.38 19.48 24.28 43.27 133.69 -174.89 -132.17 152.35 1.50 98.35 0.14 1.34 0.10 0.03 0.08 0.03 0.00 98.31 0.11 69 W E E 61.28 16.77 23.88 39.98 118.20 -132.79 -107.04 130.61 2.69 97.17 0.15 2.44 0.22 0.06 0.09 0.04 0.00 96.63 0.52 70 G C C 5.26 20.84 17.79 38.57 126.41 -150.67 -89.50 176.65 70.66 28.93 0.41 65.12 2.93 0.84 0.08 0.28 0.00 29.76 1.00 71 V C T 57.01 13.38 22.03 35.21 93.38 -85.67 -66.65 -26.12 94.25 3.18 2.57 2.71 12.41 78.84 0.12 2.75 0.00 2.74 0.41 72 C C T 29.15 16.22 18.52 34.63 95.55 44.91 -91.15 5.76 96.99 0.41 2.60 1.68 11.38 83.68 0.12 2.77 0.00 0.26 0.11 73 N C S 84.20 9.46 22.84 32.45 94.20 -108.37 69.23 24.79 95.13 2.26 2.61 18.29 60.72 16.03 0.20 2.54 0.00 1.57 0.65 74 H C C 28.59 18.38 20.81 39.05 121.46 138.93 -91.64 145.39 79.42 20.44 0.14 73.99 3.95 0.39 0.04 0.09 0.00 20.50 1.04 75 A E E 15.20 18.92 24.95 43.51 122.73 -142.80 -109.58 137.34 2.69 97.28 0.02 2.60 0.14 0.01 0.01 0.00 0.00 96.50 0.73 76 F E E 5.92 24.31 23.37 47.53 134.59 -175.34 -132.82 153.27 1.10 98.89 0.01 1.08 0.05 0.00 0.00 0.00 0.00 98.65 0.21 77 H E E 21.55 17.72 24.52 42.35 114.68 -107.63 -72.86 143.54 14.17 85.79 0.03 14.17 0.40 0.02 0.02 0.01 0.00 84.27 1.11 78 F H H 42.93 18.58 21.09 39.42 91.99 -116.13 -58.92 -38.58 2.57 0.03 97.40 0.32 0.31 1.93 96.48 0.93 0.01 0.02 0.01 79 H H H 86.29 6.56 25.97 33.32 91.92 54.44 -63.93 -38.43 0.87 0.01 99.13 0.06 0.06 0.72 98.38 0.77 0.00 0.00 0.00 80 C H H 9.59 18.03 21.44 39.80 92.18 49.86 -65.47 -42.43 0.40 0.01 99.59 0.04 0.03 0.30 98.56 1.06 0.00 0.00 0.00 81 I H H 3.96 25.38 19.00 44.51 91.66 50.32 -63.91 -42.87 0.27 0.00 99.73 0.03 0.02 0.19 99.44 0.32 0.00 0.00 0.00 82 S H H 37.30 9.95 21.74 32.27 91.69 52.03 -63.33 -41.71 0.90 0.01 99.09 0.11 0.06 0.72 98.72 0.38 0.00 0.01 0.00 83 R H H 106.95 4.43 22.56 26.96 91.90 49.94 -64.98 -41.93 1.81 0.02 98.18 0.14 0.11 1.60 97.64 0.48 0.01 0.01 0.00 84 W H H 26.70 17.28 16.53 34.32 92.14 49.19 -65.08 -41.87 2.51 0.02 97.46 0.26 0.19 2.02 96.82 0.68 0.01 0.01 0.01 85 L H H 36.09 17.50 14.46 31.59 92.29 51.34 -66.68 -34.56 9.38 0.10 90.52 1.08 0.71 7.62 89.10 1.35 0.04 0.05 0.05 86 K H H 142.76 2.32 18.07 20.61 93.79 48.38 -73.41 -32.59 19.61 0.15 80.24 1.62 1.53 16.23 79.25 1.17 0.06 0.06 0.08 87 T H H 86.15 2.75 16.80 19.69 101.21 31.07 -101.53 -24.56 38.95 0.47 60.59 5.20 6.55 26.90 59.61 1.23 0.09 0.16 0.27 88 R C C 98.67 10.78 15.26 26.38 123.11 13.94 -129.03 120.84 79.27 2.97 17.76 40.39 17.46 20.66 16.89 1.94 0.01 1.35 1.30 89 Q C C 83.55 10.82 17.36 28.57 102.17 -143.26 -95.88 28.50 88.90 9.87 1.23 60.75 22.55 5.48 0.58 0.65 0.00 8.91 1.08 90 V E B 44.87 9.53 20.96 31.64 131.38 77.29 -131.10 146.36 14.06 85.73 0.21 10.98 1.61 0.10 0.18 0.04 0.00 13.44 73.66 91 C C C 7.03 20.70 14.34 36.24 109.61 -112.04 -72.96 126.14 91.94 8.02 0.04 92.29 0.66 0.09 0.01 0.02 0.00 5.33 1.60 92 P C T 45.72 11.46 19.05 31.91 93.07 -146.84 -68.21 -23.05 99.45 0.16 0.39 0.83 4.17 94.55 0.02 0.29 0.00 0.10 0.04 93 L C T 71.50 11.22 17.30 28.66 98.53 47.65 -82.73 -40.52 99.41 0.16 0.44 0.30 3.11 96.15 0.02 0.30 0.00 0.08 0.04 94 D C T 74.38 5.30 15.88 22.41 101.46 21.16 -107.94 -5.40 99.36 0.18 0.46 1.75 5.03 92.64 0.04 0.39 0.00 0.12 0.05 95 N C C 112.26 4.94 14.17 21.14 93.47 -125.23 63.37 26.90 99.22 0.48 0.30 71.32 7.92 20.00 0.09 0.18 0.00 0.31 0.18 96 R C C 111.90 5.29 14.97 22.15 120.11 144.09 -86.42 147.61 80.28 19.41 0.31 69.15 10.08 0.65 0.13 0.22 0.00 15.94 3.84 97 E E B 125.32 4.33 17.85 23.59 114.39 -109.98 -75.47 136.43 14.28 85.34 0.38 11.82 0.70 0.14 0.34 0.11 0.00 28.35 58.53 98 W C C 37.74 21.14 9.69 29.66 124.48 -157.04 -109.65 145.54 88.51 11.04 0.45 85.94 2.15 0.45 0.11 0.26 0.00 10.38 0.71 99 E C C 121.34 3.06 22.19 25.36 120.12 -145.19 -108.49 137.71 85.71 13.03 1.26 78.30 6.27 1.12 0.37 0.75 0.00 11.61 1.58 100 F C C 76.05 16.89 11.31 27.33 114.97 -125.33 -86.47 133.23 73.37 24.40 2.23 66.51 4.42 1.70 0.81 1.29 0.00 21.07 4.19 101 Q C C 92.54 7.01 14.52 22.96 120.72 -165.22 -108.87 137.03 68.33 28.11 3.56 57.98 6.57 3.56 1.11 2.29 0.00 26.04 2.45 102 K C C 136.78 4.37 13.55 19.80 115.52 -132.24 -93.29 131.72 65.59 29.21 5.21 51.19 8.08 6.67 1.43 3.71 0.01 26.14 2.77 103 Y C C 125.18 8.47 9.94 19.43 115.82 -141.90 -100.27 130.50 76.67 19.48 3.85 47.63 11.69 17.88 1.04 2.71 0.01 17.21 1.82 104 G C C 49.18 3.33 11.90 16.85 117.22 28.22 101.99 -172.28 89.55 8.94 1.51 70.05 4.40 14.65 0.38 1.01 0.00 8.55 0.96 105 H C C 138.51 3.63 12.35 17.61 111.01 -50.46 -95.33 117.12 99.57 0.40 0.03 99.42 0.18 0.08 0.01 0.01 0.00 0.27 0.03