# 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 103.65 5.81 10.67 17.96 115.02 -158.88 -91.19 133.42 99.85 0.10 0.05 99.69 0.14 0.07 0.03 0.00 0.00 0.04 0.02 1 S C C 71.20 2.90 10.20 14.40 110.29 -139.27 -80.71 139.33 75.78 0.89 23.33 69.71 1.29 5.49 20.66 1.94 0.00 0.39 0.52 2 N H H 110.80 2.78 9.21 13.44 97.19 -115.51 -71.64 -28.62 39.32 0.80 59.87 21.42 8.38 11.96 50.51 6.93 0.03 0.36 0.41 3 D H H 105.88 1.58 10.50 12.80 95.10 59.63 -69.56 -33.31 25.88 0.56 73.56 11.39 5.28 10.46 61.90 10.37 0.06 0.29 0.25 4 N H H 103.76 1.87 11.04 13.68 94.42 54.81 -69.84 -33.37 22.36 0.62 77.02 10.44 4.35 8.68 65.85 10.04 0.05 0.35 0.24 5 F H H 114.44 3.55 10.65 15.66 95.43 53.75 -72.70 -31.86 23.91 0.71 75.37 12.93 4.91 7.83 66.96 6.69 0.03 0.38 0.28 6 T H H 76.95 3.07 12.23 16.49 95.22 59.96 -68.27 -38.59 24.06 0.48 75.46 13.05 4.66 7.71 71.07 3.07 0.02 0.22 0.20 7 G H H 39.80 2.45 13.24 16.34 94.07 51.74 -66.37 -38.83 25.19 0.36 74.46 10.50 4.20 11.54 70.31 3.10 0.02 0.17 0.17 8 T H H 76.22 2.60 12.77 16.19 94.05 52.63 -67.46 -39.12 18.49 0.36 81.15 7.92 3.10 8.57 76.73 3.32 0.03 0.18 0.16 9 Y H H 121.58 3.50 12.25 17.09 92.73 52.79 -65.81 -39.79 10.45 0.40 89.15 4.96 1.84 4.56 85.22 3.03 0.03 0.21 0.16 10 K H H 122.11 2.06 13.25 15.81 92.51 52.20 -65.42 -39.62 7.38 0.25 92.36 2.83 1.16 3.95 88.30 3.48 0.04 0.16 0.09 11 M H H 107.05 1.75 13.21 15.07 92.24 50.51 -65.75 -40.26 3.64 0.09 96.26 1.01 0.50 2.20 91.11 5.09 0.01 0.06 0.02 12 W H H 134.76 3.47 11.72 16.62 93.13 50.51 -67.04 -38.34 3.31 0.06 96.63 0.74 0.39 2.13 90.13 6.56 0.01 0.04 0.01 13 M H H 108.51 3.39 11.77 16.47 93.38 51.68 -68.96 -34.78 9.41 0.09 90.50 1.05 0.78 7.47 83.32 7.25 0.05 0.05 0.04 14 F H H 147.83 1.34 13.11 14.18 95.61 46.12 -77.70 -31.38 18.81 0.14 81.05 1.57 1.78 15.59 76.94 3.90 0.09 0.07 0.07 15 I H H 107.36 2.63 12.03 15.41 102.73 42.38 -92.50 -23.72 35.90 0.66 63.44 6.73 13.50 17.51 59.48 1.88 0.20 0.18 0.52 16 D C C 70.16 4.71 10.88 17.43 107.36 35.63 -106.19 95.24 93.99 0.33 5.69 86.68 5.43 1.44 5.76 0.40 0.00 0.12 0.16 17 P H H 80.24 4.30 11.17 17.56 93.30 -166.66 -62.27 -33.14 13.64 0.12 86.24 4.96 1.70 7.15 81.00 5.07 0.01 0.06 0.05 18 R H H 151.79 1.66 14.04 15.77 92.29 54.70 -65.16 -39.37 7.14 0.06 92.80 1.23 0.72 4.96 87.77 5.25 0.02 0.03 0.02 19 R H H 125.75 2.57 14.36 17.49 92.53 50.26 -66.27 -39.55 4.70 0.06 95.23 1.22 0.51 2.77 89.40 6.03 0.01 0.04 0.02 20 A H H 45.72 4.63 12.50 19.00 91.88 51.47 -63.90 -41.40 3.14 0.05 96.81 1.15 0.42 1.53 95.30 1.56 0.01 0.02 0.02 21 L H H 96.18 2.35 14.71 17.41 91.90 50.48 -65.08 -40.78 0.97 0.00 99.02 0.32 0.09 0.43 98.92 0.23 0.00 0.00 0.00 22 L H H 98.56 1.65 15.13 16.32 92.02 49.93 -65.11 -41.33 0.31 0.00 99.69 0.07 0.02 0.15 99.66 0.10 0.00 0.00 0.00 23 F H H 113.23 2.38 14.53 17.28 92.11 49.76 -65.14 -41.08 0.23 0.00 99.77 0.03 0.01 0.13 99.74 0.08 0.00 0.00 0.00 24 I H H 90.40 3.10 14.20 18.11 91.97 49.76 -64.97 -41.35 0.22 0.00 99.78 0.03 0.01 0.13 99.77 0.05 0.00 0.00 0.00 25 A H H 61.25 2.14 14.69 17.00 91.71 50.49 -63.97 -40.73 0.29 0.00 99.71 0.04 0.01 0.18 99.72 0.05 0.00 0.00 0.00 26 S H H 63.58 1.66 15.04 16.25 91.97 50.27 -64.70 -41.20 0.33 0.00 99.67 0.04 0.01 0.22 99.69 0.04 0.00 0.00 0.00 27 F H H 116.90 2.24 14.52 16.95 92.24 49.60 -65.25 -40.67 0.22 0.00 99.78 0.02 0.01 0.15 99.79 0.03 0.00 0.00 0.00 28 Q H H 99.69 2.90 14.07 17.72 91.91 51.03 -64.23 -40.79 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 29 I H H 103.96 1.81 14.95 16.55 92.07 50.23 -64.86 -41.03 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.01 0.00 0.00 0.00 30 L H H 97.46 1.66 15.67 16.72 92.10 49.92 -64.67 -41.62 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 31 L H H 88.39 2.55 15.21 18.01 92.06 49.56 -64.51 -41.58 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 32 G H H 32.54 3.69 13.88 19.00 91.67 51.25 -63.30 -41.56 0.11 0.00 99.89 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 33 I H H 98.88 1.95 15.68 17.36 91.81 50.14 -64.77 -41.24 0.10 0.00 99.90 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 34 L H H 94.69 1.83 15.74 17.12 91.97 50.17 -64.52 -41.71 0.14 0.00 99.86 0.01 0.00 0.10 99.87 0.02 0.00 0.00 0.00 35 I H H 88.39 3.19 14.57 18.47 92.06 49.61 -64.57 -42.10 0.20 0.00 99.80 0.02 0.01 0.14 99.77 0.06 0.00 0.00 0.00 36 H H H 99.07 3.72 13.78 18.70 91.90 50.50 -63.90 -40.81 0.39 0.00 99.61 0.03 0.02 0.31 99.49 0.15 0.00 0.00 0.00 37 M H H 111.25 1.60 14.55 15.84 91.94 50.31 -64.81 -41.14 0.62 0.00 99.38 0.04 0.03 0.52 99.07 0.34 0.00 0.00 0.00 38 I H H 102.77 1.81 13.84 15.64 92.52 49.29 -65.60 -41.00 1.52 0.01 98.47 0.11 0.09 1.29 97.83 0.66 0.00 0.01 0.00 39 V H H 81.11 3.81 11.65 16.90 93.19 48.81 -67.46 -38.54 5.98 0.04 93.98 0.52 0.47 4.97 92.90 1.08 0.02 0.02 0.02 40 L H H 113.37 2.33 11.35 14.74 94.09 50.37 -71.45 -25.92 25.17 0.29 74.54 3.43 2.94 19.16 72.08 2.02 0.09 0.12 0.17 41 G C H 55.01 1.52 11.41 13.39 97.89 56.51 -80.37 -11.08 57.80 1.16 41.04 16.42 8.20 33.47 38.22 2.55 0.06 0.47 0.62 42 S C C 70.43 3.56 9.74 14.86 113.62 80.99 -93.24 147.52 78.82 2.00 19.18 38.17 20.60 20.00 15.94 3.31 0.02 0.80 1.16 43 D C C 117.10 1.72 12.02 14.53 103.70 -114.50 -86.86 62.11 93.97 1.11 4.92 70.57 12.24 11.21 3.15 1.66 0.00 0.55 0.62 44 L C C 94.83 5.88 9.17 16.81 109.97 154.58 -87.90 113.85 93.12 1.31 5.57 74.39 11.44 7.34 3.11 2.25 0.00 0.62 0.86 45 N C C 90.13 4.25 11.62 17.43 105.66 90.73 -92.33 93.56 90.72 2.06 7.22 77.26 6.78 6.70 3.57 3.28 0.00 0.99 1.41 46 W C T 142.80 6.26 9.71 17.68 95.63 141.77 -70.60 -22.75 69.82 2.10 28.08 26.54 12.10 32.22 8.39 18.51 0.02 1.05 1.18 47 H C T 134.26 2.84 10.46 14.69 97.23 59.05 -83.99 -6.97 67.44 2.89 29.68 22.13 12.42 34.19 8.31 19.85 0.04 1.48 1.57 48 S C C 74.55 3.30 9.76 14.77 103.40 83.99 -82.32 20.82 67.81 3.07 29.13 29.47 16.12 23.69 7.29 20.21 0.02 1.41 1.79 49 D C T 114.16 2.12 11.03 14.31 102.08 50.20 -88.86 12.48 84.61 1.74 13.65 28.10 22.72 34.65 3.95 8.74 0.01 0.80 1.04 50 G C C 51.05 3.33 11.08 16.05 108.56 -106.80 85.23 27.62 93.17 2.14 4.68 42.10 30.32 20.80 1.02 3.65 0.00 1.03 1.08 51 I C C 97.96 5.53 9.35 16.77 116.46 132.61 -92.66 133.31 93.60 5.19 1.21 66.10 26.51 1.28 0.57 0.59 0.00 2.41 2.55 52 P C C 82.30 4.64 10.71 17.21 113.17 -111.56 -66.97 147.70 87.90 6.47 5.63 78.76 5.61 3.49 2.25 3.15 0.00 3.74 2.99 53 K C C 148.07 3.15 9.98 14.98 109.61 -124.28 -82.14 118.22 72.52 5.90 21.58 49.22 12.15 10.51 5.31 17.12 0.01 3.69 2.00 54 F C C 140.23 3.80 9.33 14.93 114.39 113.56 -97.18 129.49 66.91 7.71 25.38 37.37 15.52 14.93 6.07 18.99 0.04 4.83 2.26 55 Y C C 161.62 3.21 9.77 14.80 113.03 -148.35 -97.50 123.67 68.96 6.51 24.53 41.10 14.95 13.23 7.01 17.53 0.03 3.93 2.24 56 F C C 122.69 5.05 8.58 15.49 117.46 -151.15 -100.70 132.50 82.46 3.21 14.33 55.55 22.24 4.82 9.73 4.61 0.00 1.57 1.47 57 P C C 93.67 3.14 10.06 14.85 108.01 -122.89 -70.71 145.37 67.95 1.91 30.15 45.21 9.33 13.04 19.37 11.13 0.01 1.09 0.82 58 N C C 119.56 2.27 9.96 13.61 104.25 -116.23 -82.42 29.99 59.49 2.34 38.16 32.36 11.95 15.88 23.12 14.35 0.04 1.19 1.11 59 A C C 73.57 3.53 8.88 14.10 102.03 65.70 -77.39 0.29 55.82 3.16 41.02 35.35 10.07 10.74 25.68 15.12 0.03 1.76 1.24 60 A C C 77.52 3.04 9.13 13.80 103.17 100.02 -78.04 -1.94 59.76 4.42 35.82 41.42 9.38 9.02 25.20 10.77 0.02 2.69 1.50 61 E C C 139.44 2.26 9.53 13.19 105.92 61.31 -84.91 38.70 63.23 7.39 29.37 44.83 9.39 8.75 22.00 7.84 0.04 4.75 2.41 62 A C C 80.75 2.76 8.19 12.74 108.79 98.44 -83.60 103.40 75.32 6.08 18.60 53.21 12.69 8.84 14.66 4.78 0.02 3.82 1.98 63 S C C 92.39 1.46 9.31 11.97 110.21 -130.44 -92.90 116.69 83.11 6.56 10.32 58.92 15.12 8.82 7.23 3.46 0.01 3.96 2.49 64 A C C 76.15 3.02 7.97 13.00 118.43 -120.95 -92.46 144.61 91.30 6.58 2.12 61.42 28.60 2.05 1.25 0.86 0.00 4.02 1.81 65 P C C 109.15 1.83 9.07 12.47 112.95 -102.48 -69.33 144.76 88.92 8.03 3.05 78.30 7.21 3.39 1.17 1.73 0.00 6.20 2.00 66 I C C 129.80 2.63 7.31 12.02 114.67 -140.90 -96.53 131.69 81.03 14.90 4.07 58.73 16.13 6.21 1.45 2.66 0.01 10.89 3.93 67 D C C 124.59 1.04 9.28 11.18 112.18 -138.48 -91.73 123.52 80.92 16.09 2.99 62.42 12.64 5.32 0.95 2.06 0.00 13.98 2.61 68 M C C 135.98 3.01 6.46 11.61 116.49 -155.94 -97.27 132.44 79.78 18.54 1.68 68.61 8.08 2.28 0.64 1.10 0.00 15.08 4.20 69 S C C 85.65 1.43 8.75 11.53 120.02 -153.12 -98.87 143.83 83.71 15.93 0.37 73.58 8.99 0.75 0.14 0.24 0.00 13.49 2.81 70 P C C 117.92 1.21 9.12 11.60 114.35 -101.37 -68.23 144.85 82.85 16.74 0.41 70.65 10.80 0.96 0.15 0.28 0.00 12.95 4.21 71 I C C 126.97 3.00 6.51 11.81 115.70 -109.41 -81.35 138.89 94.91 4.89 0.21 86.63 8.17 0.36 0.09 0.10 0.00 3.27 1.38 72 P C C 104.81 1.74 8.49 11.85 114.42 -105.77 -66.99 149.59 94.33 2.85 2.82 86.77 4.35 3.37 0.73 1.90 0.00 1.84 1.03 73 S C C 96.94 1.04 7.78 10.03 112.08 -113.88 -78.39 140.05 83.34 3.77 12.90 45.91 19.29 17.93 2.52 10.63 0.00 1.92 1.80 74 A C C 91.43 1.65 6.43 9.90 113.38 -122.58 -89.16 133.64 78.75 4.92 16.33 41.43 20.47 17.26 3.04 13.19 0.01 2.67 1.93 75 R C C 181.52 1.34 7.34 10.08 116.00 -147.72 -97.16 135.26 78.98 5.83 15.19 50.39 20.09 8.73 3.58 11.67 0.01 3.64 1.90 76 N C C 130.83 1.21 7.68 10.21 113.12 -121.17 -88.33 131.83 81.65 7.65 10.71 64.74 9.18 7.65 3.00 7.82 0.00 5.36 2.25 77 F C C 153.80 2.74 5.98 10.68 114.76 -148.49 -95.88 128.07 80.78 10.32 8.90 61.96 10.63 7.80 2.49 6.63 0.00 7.35 3.13 78 K C C 167.23 0.93 7.64 9.52 112.77 -152.59 -95.98 119.32 81.38 11.24 7.38 59.31 11.84 10.03 2.03 5.45 0.00 8.39 2.94 79 F C C 157.97 2.33 5.79 9.99 112.38 -164.31 -95.57 120.06 89.01 7.34 3.65 81.08 2.42 5.72 1.06 2.24 0.00 5.33 2.16 80 D C C 121.05 1.34 9.77 12.09 109.21 -150.98 -90.18 107.03 99.81 0.17 0.03 99.63 0.15 0.08 0.01 0.00 0.00 0.10 0.02