# 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 N C C 97.17 4.53 11.72 17.84 110.87 -158.82 -95.76 110.09 99.89 0.05 0.06 99.78 0.10 0.06 0.03 0.00 0.00 0.02 0.01 1 H C C 127.89 3.97 9.01 14.68 101.52 -169.92 -87.35 5.03 57.78 0.52 41.70 48.19 1.34 7.87 39.58 2.52 0.00 0.22 0.28 2 T H H 91.52 2.48 9.32 13.16 99.59 86.19 -73.78 -28.41 41.97 0.54 57.49 24.20 7.14 11.77 52.48 3.89 0.01 0.23 0.28 3 N H H 107.67 2.05 10.49 13.44 97.28 56.65 -73.74 -29.81 26.84 0.46 72.70 15.23 5.59 7.61 66.64 4.51 0.01 0.21 0.20 4 H H H 115.40 3.29 10.27 14.96 97.22 57.23 -72.37 -34.61 18.29 0.37 81.34 10.19 3.76 5.75 75.87 4.08 0.01 0.18 0.15 5 N H H 89.58 3.41 11.64 16.36 96.76 54.85 -71.84 -32.31 17.13 0.38 82.49 10.27 2.99 5.28 77.48 3.62 0.01 0.20 0.15 6 Q H H 107.29 2.79 12.32 16.13 95.09 56.83 -69.93 -35.37 14.00 0.30 85.70 7.27 2.55 5.09 81.57 3.23 0.01 0.15 0.12 7 S H H 58.94 3.99 12.14 17.46 96.37 55.57 -71.22 -34.37 17.49 0.39 82.12 9.12 2.98 6.39 77.94 3.19 0.02 0.20 0.16 8 R H H 132.18 3.34 12.73 17.18 96.05 57.63 -70.58 -35.86 17.79 0.49 81.73 8.89 3.31 6.87 77.19 3.28 0.03 0.25 0.19 9 K H H 111.73 3.12 12.56 16.80 95.23 57.33 -68.80 -36.72 17.08 0.57 82.35 8.72 3.48 6.48 77.27 3.49 0.03 0.30 0.23 10 N H H 86.98 3.78 11.54 16.74 94.77 54.61 -69.29 -35.30 18.03 0.54 81.43 9.65 3.02 6.84 75.17 4.77 0.03 0.31 0.22 11 H H H 124.39 3.10 10.91 15.21 96.41 52.52 -74.83 -27.72 19.42 0.70 79.88 8.14 3.35 9.47 71.40 6.86 0.07 0.40 0.30 12 R H H 159.96 2.06 11.19 14.17 97.38 57.05 -78.62 -18.70 24.65 0.71 74.65 6.07 4.40 15.57 66.43 6.65 0.16 0.36 0.36 13 N C H 110.76 2.44 11.15 14.55 101.15 34.48 -92.14 7.85 50.30 0.48 49.22 6.91 8.19 35.15 45.13 4.02 0.08 0.18 0.32 14 G C T 47.47 3.63 10.76 15.93 105.26 -109.42 76.22 15.51 80.97 0.98 18.05 26.91 18.59 36.17 10.72 6.59 0.01 0.42 0.61 15 I C C 107.48 4.76 8.94 15.44 111.81 118.26 -89.47 125.21 69.75 3.54 26.71 40.81 15.61 13.83 14.97 11.19 0.03 1.67 1.89 16 K C C 144.20 2.28 10.92 14.71 114.60 -147.47 -92.28 135.02 70.33 3.68 25.99 43.35 15.73 11.39 14.79 11.10 0.02 1.86 1.76 17 R C C 165.87 2.60 10.93 15.31 114.93 -112.54 -82.54 136.65 76.61 2.23 21.16 50.74 17.82 8.24 13.10 7.89 0.00 1.05 1.16 18 A C C 65.67 6.20 8.36 16.25 113.26 -107.15 -71.12 143.34 84.45 1.58 13.96 70.61 8.62 5.39 9.56 4.09 0.00 0.69 1.04 19 L C C 100.69 3.46 9.66 14.84 114.91 -120.61 -83.53 141.59 82.48 0.61 16.91 71.83 7.21 3.69 13.52 3.08 0.00 0.23 0.44 20 P H H 103.10 2.21 9.74 13.31 102.70 -111.96 -65.20 -29.66 45.14 0.65 54.21 22.17 7.46 15.41 33.55 20.72 0.01 0.32 0.37 21 M H H 136.90 1.56 9.92 12.27 97.75 58.27 -73.01 -24.10 37.92 0.73 61.36 13.48 6.93 16.70 38.86 23.25 0.04 0.36 0.38 22 Y H H 137.92 3.66 9.39 14.61 101.99 58.67 -85.18 0.03 37.18 1.07 61.75 17.84 7.03 12.07 40.55 21.46 0.03 0.54 0.49 23 L H H 92.53 5.01 9.73 16.41 99.26 74.30 -74.68 -25.20 43.32 1.05 55.64 23.56 8.54 12.47 43.80 10.59 0.02 0.49 0.53 24 H H H 118.52 3.72 10.75 15.92 104.68 63.02 -87.18 5.97 46.27 1.09 52.63 21.01 10.85 16.27 40.43 10.30 0.06 0.49 0.61 25 N C H 108.40 2.95 12.08 16.18 102.47 60.34 -81.27 0.05 49.87 0.95 49.18 20.21 11.75 19.20 35.88 11.89 0.07 0.41 0.59 26 S C C 66.98 4.86 10.65 17.02 105.11 68.82 -82.19 39.22 59.55 1.50 38.95 29.07 12.39 19.22 25.72 11.96 0.04 0.63 0.98 27 K C C 125.87 4.69 10.30 16.49 100.16 66.88 -89.55 1.61 70.11 2.29 27.59 40.62 13.13 16.59 16.60 10.47 0.02 0.96 1.61 28 R C T 164.10 2.78 10.44 14.98 106.73 125.27 -71.84 114.35 78.31 1.77 19.92 22.55 14.91 41.56 10.92 8.02 0.03 0.78 1.22 29 G C T 57.46 1.99 12.12 14.84 100.50 16.48 78.82 -0.55 84.94 1.19 13.87 21.08 19.65 45.12 5.52 7.32 0.01 0.55 0.77 30 S C C 69.00 4.43 9.74 15.95 107.70 101.79 -88.79 27.77 84.29 3.57 12.14 46.77 25.62 12.17 5.75 5.71 0.01 1.31 2.65 31 W C C 150.06 3.64 11.14 16.29 109.97 -43.77 -90.19 112.34 90.42 1.97 7.61 75.72 11.37 2.92 6.42 1.45 0.00 0.68 1.45 32 L H H 101.84 3.74 11.81 17.14 94.74 -139.91 -61.61 -39.16 6.03 0.03 93.95 2.45 1.06 2.30 93.31 0.86 0.00 0.01 0.01 33 P H H 91.97 1.73 14.04 15.70 92.51 51.87 -64.84 -38.74 3.03 0.01 96.96 0.70 0.32 1.84 96.14 0.99 0.00 0.01 0.00 34 A H H 54.82 3.26 13.65 18.00 92.46 50.90 -65.60 -40.48 0.98 0.01 99.01 0.28 0.11 0.52 98.25 0.85 0.00 0.00 0.00 35 L H H 67.92 5.24 13.30 20.26 92.37 50.73 -64.63 -41.38 0.45 0.00 99.55 0.13 0.05 0.21 99.32 0.29 0.00 0.00 0.00 36 I H H 86.04 2.95 15.81 19.32 91.81 49.62 -64.15 -42.25 0.43 0.00 99.57 0.10 0.03 0.22 99.51 0.13 0.00 0.00 0.00 37 N H H 85.55 2.24 16.67 18.70 91.82 49.59 -64.47 -40.53 0.74 0.00 99.25 0.15 0.05 0.44 99.23 0.14 0.00 0.00 0.00 38 A H H 48.60 3.85 15.35 20.40 91.74 51.04 -63.92 -40.73 0.77 0.00 99.23 0.16 0.06 0.43 99.18 0.17 0.00 0.00 0.00 39 R H H 119.38 3.31 16.14 20.03 91.79 50.72 -64.78 -41.35 0.93 0.00 99.06 0.19 0.07 0.55 98.95 0.24 0.00 0.00 0.00 40 R H H 125.27 2.15 16.14 18.13 91.98 50.32 -64.42 -41.57 1.43 0.01 98.56 0.32 0.12 0.83 98.33 0.38 0.00 0.00 0.00 41 V H H 78.19 2.31 15.18 17.71 91.95 49.93 -64.18 -41.98 2.41 0.02 97.57 0.69 0.24 1.26 97.28 0.51 0.00 0.01 0.00 42 R H H 131.87 2.48 15.03 17.88 92.08 50.15 -65.05 -40.69 4.05 0.03 95.92 1.00 0.43 2.36 95.35 0.84 0.01 0.01 0.01 43 K H H 122.12 2.16 14.83 17.12 92.34 50.07 -65.70 -39.76 7.30 0.04 92.66 1.24 0.73 4.90 91.95 1.14 0.01 0.01 0.01 44 N H H 98.87 1.69 14.58 15.96 93.36 48.84 -68.71 -36.98 18.02 0.09 81.89 2.98 2.05 12.32 81.26 1.29 0.02 0.03 0.05 45 N H H 89.53 2.82 13.90 17.29 95.94 50.05 -72.80 -32.06 31.07 0.26 68.67 13.37 3.67 13.50 67.84 1.36 0.01 0.10 0.14 46 Q H H 105.89 2.98 13.88 17.66 93.51 61.23 -65.13 -40.61 6.98 0.06 92.96 2.88 1.08 2.66 92.68 0.66 0.00 0.02 0.02 47 K H H 130.40 1.49 15.88 16.60 92.43 50.37 -64.70 -41.52 2.67 0.02 97.31 0.84 0.35 1.27 97.02 0.50 0.00 0.01 0.00 48 A H H 56.01 2.14 15.58 17.70 92.03 49.90 -64.47 -40.94 1.60 0.01 98.39 0.48 0.18 0.81 98.04 0.48 0.00 0.00 0.00 49 A H H 47.69 3.44 14.43 19.21 91.85 50.52 -64.16 -41.18 1.04 0.01 98.95 0.31 0.11 0.51 98.76 0.30 0.00 0.00 0.00 50 V H H 74.16 2.67 15.49 18.64 91.66 49.84 -64.13 -41.75 0.67 0.00 99.32 0.18 0.07 0.34 99.25 0.16 0.00 0.00 0.00 51 K H H 117.88 1.59 16.70 17.39 91.79 50.02 -64.44 -41.05 0.53 0.00 99.47 0.12 0.05 0.28 99.44 0.11 0.00 0.00 0.00 52 A H H 54.56 2.36 15.06 17.84 91.67 50.33 -63.93 -40.94 0.51 0.00 99.49 0.10 0.04 0.27 99.50 0.09 0.00 0.00 0.00 53 R H H 129.05 2.51 15.03 18.00 91.88 50.09 -64.65 -40.75 0.46 0.00 99.54 0.09 0.04 0.25 99.55 0.07 0.00 0.00 0.00 54 R H H 138.72 1.73 15.12 16.67 91.66 50.56 -64.27 -40.83 0.44 0.00 99.56 0.08 0.03 0.24 99.57 0.07 0.00 0.00 0.00 55 E H H 111.35 1.42 14.91 15.61 91.64 50.05 -64.44 -41.06 0.49 0.00 99.51 0.09 0.04 0.27 99.51 0.09 0.00 0.00 0.00 56 R H H 134.01 1.64 14.04 15.56 91.92 50.15 -64.79 -40.83 0.69 0.00 99.31 0.13 0.05 0.39 99.30 0.13 0.00 0.00 0.00 57 L H H 88.74 1.98 12.60 15.17 91.94 50.38 -64.49 -40.41 1.18 0.00 98.82 0.24 0.09 0.68 98.77 0.23 0.00 0.00 0.00 58 A H H 65.00 1.47 11.84 13.49 92.01 51.48 -64.74 -38.96 3.04 0.01 96.95 0.57 0.25 1.86 96.76 0.54 0.00 0.00 0.00 59 A H H 78.90 1.16 10.48 11.80 92.77 52.43 -67.30 -34.85 11.80 0.03 88.17 1.49 0.90 8.70 87.54 1.33 0.01 0.01 0.02 60 H H H 150.61 1.00 8.96 10.39 95.37 53.41 -73.43 -24.58 30.31 0.19 69.50 6.26 2.97 20.64 68.08 1.85 0.02 0.07 0.12 61 K C H 160.62 1.00 8.72 10.32 98.86 60.94 -78.55 -7.74 58.46 0.43 41.12 32.75 1.40 21.68 42.44 1.32 0.00 0.15 0.26 62 A C C 80.33 2.62 9.74 13.85 103.97 96.15 -76.99 40.54 99.93 0.02 0.04 99.78 0.08 0.10 0.03 0.00 0.00 0.01 0.00