# 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 124.78 4.32 11.44 17.38 117.15 -162.72 -96.86 137.73 99.80 0.18 0.02 99.76 0.09 0.03 0.01 0.00 0.00 0.09 0.02 1 A C C 76.39 4.10 8.49 14.47 115.47 -129.86 -87.33 142.12 88.86 5.74 5.40 85.58 1.18 2.91 3.21 1.38 0.00 3.36 2.37 2 K C C 151.34 2.22 9.24 13.20 114.57 -133.82 -90.15 137.75 83.98 7.02 9.00 63.10 13.26 7.27 5.45 3.70 0.00 4.24 2.97 3 S C C 70.91 4.71 8.05 14.55 115.02 -116.36 -82.32 143.01 83.42 4.25 12.34 67.04 9.48 6.69 7.26 5.10 0.00 2.44 1.98 4 K C C 157.17 2.05 11.27 14.41 99.72 -138.44 -78.35 -14.61 74.66 1.77 23.57 31.31 19.80 24.23 15.68 7.19 0.02 0.84 0.93 5 N C C 97.68 4.46 10.29 16.33 106.06 57.94 -99.22 56.36 74.45 1.45 24.10 32.78 18.26 24.14 16.50 6.79 0.02 0.61 0.90 6 S C C 64.03 5.93 10.26 17.73 108.09 145.60 -89.12 74.82 59.44 1.39 39.17 38.80 11.51 9.75 32.15 6.39 0.01 0.58 0.81 7 S H H 66.20 4.47 11.89 17.73 110.71 136.42 -87.11 114.77 48.28 1.17 50.55 27.30 10.68 11.92 42.83 6.14 0.03 0.54 0.56 8 Q H H 112.27 4.14 12.72 18.10 100.52 -70.62 -79.11 -8.47 38.02 0.97 61.00 21.17 8.87 9.62 53.90 5.55 0.03 0.46 0.41 9 H H H 102.59 5.89 12.45 19.67 97.53 90.49 -71.85 -34.32 30.56 0.73 68.71 16.41 7.27 8.62 62.65 4.37 0.02 0.35 0.31 10 N H H 87.02 4.75 14.06 19.82 97.06 55.29 -73.69 -29.83 29.31 0.62 70.07 17.71 5.14 7.85 65.08 3.66 0.01 0.30 0.26 11 Q H H 91.65 5.80 13.81 20.74 95.23 59.98 -69.62 -33.94 20.29 0.48 79.24 11.98 4.09 5.64 74.80 3.08 0.01 0.23 0.18 12 S H H 52.15 6.39 13.64 21.32 95.69 56.21 -70.99 -34.95 19.74 0.53 79.72 12.47 3.24 5.35 75.71 2.77 0.01 0.27 0.18 13 R H H 129.40 3.51 15.35 19.55 95.02 54.92 -68.97 -37.77 14.39 0.50 85.11 7.37 2.77 5.39 81.23 2.77 0.03 0.27 0.17 14 K H H 98.20 4.38 14.71 20.16 94.54 53.83 -67.52 -39.67 12.69 0.60 86.71 6.43 2.61 5.08 82.38 2.92 0.05 0.34 0.20 15 A H H 42.29 7.27 11.99 21.02 93.60 53.08 -66.75 -39.02 11.41 0.54 88.06 5.97 1.96 4.62 83.06 3.86 0.04 0.33 0.17 16 H H H 117.01 3.94 12.86 17.82 95.48 49.30 -74.27 -32.09 13.79 0.70 85.51 5.71 2.30 7.06 78.40 5.76 0.08 0.43 0.25 17 R H H 158.34 2.13 13.13 15.70 96.54 51.21 -76.02 -29.32 20.11 0.51 79.39 4.01 3.14 13.91 72.85 5.42 0.16 0.26 0.25 18 N H H 101.56 3.59 12.13 16.74 99.55 26.05 -95.33 5.03 42.78 0.37 56.86 4.83 6.90 31.29 53.66 2.83 0.10 0.13 0.25 19 G C T 47.28 3.92 11.93 17.34 101.79 -112.64 78.83 9.68 94.95 1.01 4.04 33.13 27.44 34.75 1.45 2.28 0.00 0.47 0.48 20 I C C 94.90 6.17 9.61 17.47 112.40 127.88 -90.47 128.64 91.45 4.44 4.11 55.44 26.39 9.46 1.26 2.72 0.00 1.95 2.76 21 K C C 146.24 2.21 12.48 15.92 114.77 -150.17 -94.87 133.71 94.30 2.97 2.72 67.15 22.12 4.78 0.98 1.68 0.00 1.29 1.99 22 K C C 121.17 6.22 9.81 17.73 116.02 -115.52 -83.35 136.58 98.99 0.74 0.27 78.16 20.37 0.53 0.11 0.13 0.00 0.30 0.40 23 P C C 70.08 6.06 9.08 17.07 113.43 -108.04 -65.16 148.94 94.18 0.80 5.02 84.15 5.32 4.59 1.22 3.83 0.00 0.35 0.55 24 K C C 165.53 1.43 10.33 12.60 96.08 -120.19 -68.45 -23.62 77.78 1.14 21.08 39.20 20.92 16.86 3.63 18.03 0.00 0.46 0.91 25 T C T 104.73 1.70 9.77 12.40 99.26 63.16 -83.65 -10.86 69.61 1.08 29.32 20.95 22.67 26.19 4.19 24.77 0.01 0.45 0.78 26 Q C C 118.86 3.88 9.37 14.89 102.41 56.70 -90.95 18.67 70.73 1.23 28.04 33.39 17.23 19.68 4.46 23.88 0.00 0.55 0.80 27 R C C 141.68 5.02 9.93 16.48 104.34 122.45 -85.74 28.86 80.15 1.58 18.28 49.02 17.47 12.85 4.93 13.74 0.00 0.64 1.34 28 Y C C 108.30 7.05 9.36 17.88 112.36 71.44 -101.46 114.10 90.19 1.21 8.61 59.38 27.44 3.25 4.19 4.06 0.00 0.38 1.30 29 P H G 96.33 2.82 13.25 17.30 95.23 -155.24 -64.71 -28.58 35.21 0.52 64.27 12.22 5.00 16.20 5.39 60.73 0.00 0.30 0.16 30 S H G 70.74 4.26 12.95 18.42 94.62 63.96 -74.93 -13.37 34.56 0.41 65.03 7.50 4.83 20.44 5.33 61.54 0.00 0.23 0.13 31 L H G 54.58 12.85 9.42 22.55 95.56 60.20 -89.65 -2.98 39.67 0.65 59.68 15.37 6.74 15.74 3.51 58.05 0.00 0.36 0.23 32 K C T 138.85 3.49 11.63 17.64 110.79 118.10 -64.25 132.03 96.27 0.39 3.34 5.30 4.94 86.28 1.02 1.93 0.00 0.16 0.37 33 G C T 64.55 0.80 15.02 14.49 95.33 18.00 83.17 -0.03 98.60 0.15 1.25 3.61 7.51 87.50 0.19 1.03 0.00 0.09 0.07 34 T C C 46.12 11.81 7.64 19.98 120.55 117.94 -80.78 148.78 96.97 2.70 0.33 62.22 33.27 0.46 0.16 0.12 0.00 0.45 3.32 35 D C C 73.92 3.77 13.60 18.60 113.17 -104.71 -68.34 143.10 99.83 0.14 0.03 99.12 0.72 0.02 0.02 0.00 0.00 0.03 0.09 36 P H H 92.78 3.19 12.72 17.37 91.42 -120.62 -58.21 -36.50 3.51 0.00 96.49 0.21 0.22 3.02 95.29 1.26 0.00 0.00 0.00 37 K H H 130.03 2.48 14.97 17.59 91.64 53.86 -64.86 -39.71 2.12 0.00 97.88 0.10 0.12 1.88 96.28 1.61 0.00 0.00 0.00 38 F H H 84.20 6.24 13.81 21.32 92.18 48.96 -66.11 -40.70 0.57 0.00 99.43 0.08 0.05 0.36 98.17 1.34 0.00 0.00 0.00 39 R H H 103.67 5.92 15.09 22.28 91.83 51.64 -63.47 -42.22 0.22 0.00 99.78 0.03 0.01 0.13 99.59 0.24 0.00 0.00 0.00 40 R H H 123.10 2.97 17.71 20.83 91.58 49.65 -63.93 -41.91 0.44 0.00 99.56 0.04 0.02 0.32 99.44 0.18 0.00 0.00 0.00 41 N H H 69.49 5.65 17.02 23.50 91.84 49.56 -64.72 -40.76 1.10 0.00 98.90 0.11 0.06 0.81 98.77 0.25 0.00 0.00 0.00 42 H H H 79.40 7.43 16.89 25.30 92.24 50.86 -64.69 -40.96 0.85 0.00 99.15 0.13 0.06 0.53 98.74 0.54 0.00 0.00 0.00 43 R H H 116.54 3.95 18.78 23.18 92.00 50.76 -64.48 -41.97 0.87 0.00 99.13 0.11 0.06 0.59 98.41 0.83 0.00 0.00 0.00 44 H H H 84.73 4.83 17.16 22.94 92.13 50.11 -64.74 -41.16 1.39 0.00 98.60 0.19 0.11 0.93 97.53 1.25 0.00 0.00 0.00 45 A H H 43.47 7.47 14.90 23.80 92.04 51.49 -64.91 -39.48 3.26 0.01 96.72 0.46 0.25 2.23 95.32 1.73 0.00 0.01 0.00 46 L H H 96.05 4.98 16.66 22.37 92.77 50.69 -69.18 -35.05 10.89 0.04 89.07 0.84 0.80 8.94 87.47 1.90 0.02 0.02 0.02 47 H H H 123.00 2.96 16.45 19.61 96.46 44.58 -87.82 -12.84 37.04 0.17 62.79 2.43 3.92 30.02 61.84 1.57 0.05 0.06 0.11 48 G C T 37.46 7.67 13.04 21.81 106.40 -116.64 77.04 17.78 82.29 1.06 16.65 24.83 14.91 41.85 15.57 1.85 0.01 0.38 0.60 49 T C C 63.60 4.08 14.97 19.98 124.41 67.73 -103.26 165.98 67.20 1.68 31.12 48.82 13.84 3.27 31.49 1.13 0.00 0.47 0.97 50 A H H 73.97 3.86 14.14 19.38 92.90 -97.64 -61.46 -37.40 5.00 0.03 94.97 1.51 1.04 2.28 94.46 0.68 0.01 0.01 0.01 51 K H H 133.74 1.49 17.11 17.72 91.98 52.63 -64.78 -40.94 2.50 0.02 97.48 0.68 0.32 1.35 96.98 0.65 0.00 0.01 0.00 52 A H H 27.78 6.56 13.72 22.81 91.71 50.20 -63.69 -41.62 1.33 0.01 98.66 0.45 0.15 0.63 98.22 0.53 0.00 0.00 0.00 53 L H H 61.30 6.69 14.64 23.05 91.75 50.85 -63.80 -41.90 0.60 0.00 99.40 0.19 0.06 0.27 99.30 0.18 0.00 0.00 0.00 54 K H H 114.15 2.15 17.74 19.47 91.77 50.18 -64.16 -41.96 0.48 0.00 99.52 0.12 0.04 0.24 99.50 0.10 0.00 0.00 0.00 55 E H H 104.98 2.28 17.47 19.42 91.88 49.91 -64.90 -41.24 0.46 0.00 99.54 0.09 0.03 0.25 99.55 0.08 0.00 0.00 0.00 56 F H H 94.42 5.38 15.28 21.90 92.12 49.70 -64.77 -41.19 0.58 0.00 99.41 0.11 0.04 0.33 99.43 0.09 0.00 0.00 0.00 57 K H H 107.55 3.03 15.98 19.52 91.79 50.17 -64.11 -41.14 1.04 0.00 98.96 0.20 0.08 0.60 98.97 0.14 0.00 0.00 0.00 58 E H H 104.13 1.76 15.76 17.04 91.78 50.62 -64.34 -40.74 2.07 0.01 97.92 0.39 0.18 1.27 97.90 0.26 0.00 0.00 0.00 59 G H H 33.26 2.88 13.19 17.27 91.96 51.04 -63.91 -40.51 6.36 0.02 93.61 1.26 0.62 4.04 93.43 0.62 0.00 0.01 0.01 60 K H H 119.28 2.49 12.56 15.96 92.40 51.18 -65.96 -38.36 11.12 0.07 88.81 3.43 1.44 6.06 87.70 1.30 0.01 0.03 0.04 61 R H H 156.82 1.57 11.67 13.80 92.84 51.69 -67.20 -35.39 16.72 0.21 83.07 6.30 2.48 8.05 81.13 1.84 0.01 0.08 0.10 62 E H H 145.27 1.09 10.94 12.16 94.20 52.56 -73.20 -25.33 30.37 0.51 69.13 11.98 4.30 14.32 67.04 1.89 0.02 0.20 0.25 63 T C H 102.37 1.70 9.25 11.93 99.39 55.27 -84.33 -8.75 53.48 0.54 45.98 30.09 2.03 19.58 46.45 1.33 0.00 0.20 0.31 64 A C C 75.66 3.29 10.27 15.20 106.68 98.08 -76.49 104.65 99.82 0.04 0.14 99.53 0.13 0.20 0.12 0.01 0.00 0.02 0.01