# 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 129.99 3.74 11.38 16.66 112.51 -161.19 -91.32 127.38 99.93 0.06 0.01 99.87 0.07 0.02 0.00 0.00 0.00 0.02 0.00 1 F C C 130.54 4.91 9.52 16.31 116.30 -155.34 -95.31 131.81 94.44 4.38 1.18 93.35 0.65 1.29 0.55 0.34 0.00 2.57 1.25 2 R C C 170.70 2.11 12.06 15.62 116.26 -149.77 -100.08 129.04 88.70 9.36 1.94 77.98 7.87 2.63 1.04 0.87 0.00 5.18 4.44 3 Y C C 78.99 12.85 7.53 20.30 120.62 -149.77 -100.19 140.02 93.40 4.93 1.68 81.33 10.77 1.32 1.15 0.54 0.00 2.68 2.21 4 T C C 68.34 2.54 15.22 17.98 121.87 -129.27 -83.93 165.73 95.75 2.68 1.57 91.75 3.67 0.59 1.35 0.23 0.00 1.07 1.35 5 R H H 164.19 2.91 11.98 16.66 90.97 -102.68 -58.13 -37.81 3.02 0.01 96.97 0.62 0.66 1.50 96.91 0.30 0.00 0.00 0.00 6 F H H 140.91 1.45 14.98 15.96 91.95 52.14 -64.72 -40.63 1.23 0.00 98.77 0.17 0.13 0.80 98.61 0.29 0.00 0.00 0.00 7 E H H 66.57 7.82 14.53 23.89 92.23 48.81 -65.57 -40.58 0.43 0.00 99.57 0.10 0.04 0.25 99.35 0.27 0.00 0.00 0.00 8 K H H 69.80 12.40 15.14 27.95 91.42 51.55 -62.54 -42.01 0.21 0.00 99.79 0.04 0.01 0.12 99.74 0.09 0.00 0.00 0.00 9 A H H 51.68 4.50 18.86 23.96 91.95 50.79 -63.99 -40.75 0.17 0.00 99.83 0.02 0.01 0.10 99.83 0.04 0.00 0.00 0.00 10 R H H 130.00 3.09 21.57 24.37 91.94 50.16 -65.04 -40.78 0.13 0.00 99.87 0.01 0.01 0.08 99.87 0.03 0.00 0.00 0.00 11 I H H 36.66 14.14 18.52 33.08 91.95 49.32 -64.41 -42.86 0.11 0.00 99.89 0.01 0.00 0.07 99.89 0.03 0.00 0.00 0.00 12 I H H 44.92 14.49 19.81 34.17 91.66 49.52 -63.84 -41.75 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 13 G H H 34.39 4.11 22.71 26.74 91.48 51.07 -63.34 -42.15 0.20 0.00 99.80 0.01 0.01 0.13 99.81 0.03 0.00 0.00 0.00 14 A H H 45.76 5.53 22.64 28.53 91.63 49.76 -64.40 -41.49 0.21 0.00 99.79 0.01 0.01 0.14 99.81 0.03 0.00 0.00 0.00 15 R H H 54.29 15.92 19.21 34.76 91.77 50.63 -64.26 -41.45 0.21 0.00 99.79 0.02 0.01 0.13 99.82 0.03 0.00 0.00 0.00 16 A H H 32.27 11.20 19.13 31.09 91.57 51.92 -63.12 -41.93 0.15 0.00 99.85 0.01 0.01 0.09 99.86 0.03 0.00 0.00 0.00 17 L H H 94.37 2.28 22.92 23.76 91.52 50.18 -64.00 -41.27 0.13 0.00 99.87 0.01 0.01 0.08 99.84 0.06 0.00 0.00 0.00 18 Q H H 57.60 8.01 17.37 26.80 91.91 50.37 -64.73 -40.84 0.26 0.00 99.74 0.02 0.01 0.18 99.59 0.20 0.00 0.00 0.00 19 I H H 45.72 14.21 13.44 28.00 91.84 49.81 -64.53 -41.23 0.52 0.00 99.48 0.03 0.02 0.42 99.08 0.45 0.00 0.00 0.00 20 A H H 75.27 4.11 15.53 20.82 90.39 53.96 -65.75 -28.51 5.33 0.00 94.66 0.10 0.15 5.35 93.76 0.63 0.01 0.00 0.00 21 M C T 133.06 1.65 14.65 16.23 92.80 54.77 -86.34 -0.77 81.85 0.02 18.13 0.23 0.89 80.51 17.60 0.74 0.00 0.01 0.02 22 G C T 57.20 1.88 14.78 17.13 97.63 -101.14 86.94 9.19 99.20 0.01 0.79 1.16 1.18 97.03 0.55 0.07 0.00 0.00 0.00 23 A C C 40.29 10.20 9.34 21.01 117.35 155.27 -74.89 144.78 99.74 0.21 0.05 95.48 4.18 0.11 0.02 0.01 0.00 0.07 0.13 24 P C C 99.98 2.07 17.93 19.75 113.14 -101.98 -66.78 144.03 99.21 0.68 0.11 96.03 2.91 0.35 0.03 0.06 0.00 0.31 0.30 25 V C C 66.65 15.43 9.04 23.49 113.79 -124.05 -82.98 131.10 86.92 12.61 0.46 84.38 1.94 0.38 0.16 0.22 0.00 4.05 8.87 26 L C S 112.97 3.43 16.02 20.55 97.12 -163.44 -85.46 -20.10 95.65 3.95 0.40 45.05 49.27 1.81 0.08 0.34 0.00 1.94 1.51 27 I C S 62.95 10.32 10.49 22.21 126.23 44.55 -122.98 143.80 92.45 7.25 0.30 37.80 53.82 1.47 0.07 0.24 0.00 2.90 3.70 28 D C C 123.96 1.13 17.99 18.33 110.77 -117.42 -81.87 124.16 98.03 1.84 0.12 93.84 4.02 0.38 0.02 0.11 0.00 1.06 0.56 29 V C C 49.42 17.24 7.11 22.49 120.31 -157.15 -100.18 139.87 99.13 0.78 0.09 94.32 4.67 0.15 0.03 0.04 0.00 0.28 0.51 30 P C C 78.81 3.13 13.23 17.52 116.01 -107.73 -67.45 152.17 99.09 0.32 0.58 94.73 2.66 1.67 0.11 0.45 0.00 0.13 0.24 31 E C T 168.12 0.82 11.68 12.71 109.05 -92.42 -64.52 136.21 99.16 0.11 0.73 3.12 12.93 83.10 0.07 0.67 0.00 0.06 0.05 32 G C T 67.74 0.41 13.83 12.04 96.35 21.49 81.16 0.18 99.37 0.12 0.51 8.44 9.84 81.02 0.05 0.52 0.00 0.09 0.04 33 I C C 49.25 12.29 7.75 20.73 118.77 127.36 -84.55 139.93 98.92 0.97 0.11 71.10 27.34 0.21 0.05 0.05 0.00 0.23 1.03 34 T C C 71.60 3.42 21.06 23.90 117.81 -128.10 -83.61 147.66 99.86 0.10 0.03 98.82 1.05 0.02 0.02 0.00 0.00 0.02 0.06 35 P H H 36.43 18.70 14.19 32.46 91.54 -114.33 -57.83 -38.09 1.08 0.00 98.92 0.09 0.08 0.76 98.81 0.27 0.00 0.00 0.00 36 L H H 65.42 11.86 19.77 31.60 91.78 52.96 -63.98 -41.05 0.34 0.00 99.66 0.02 0.01 0.25 99.45 0.26 0.00 0.00 0.00 37 Q H H 92.51 3.64 24.77 27.90 91.63 48.91 -64.95 -40.86 0.07 0.00 99.93 0.01 0.00 0.04 99.77 0.18 0.00 0.00 0.00 38 A H H 10.37 15.80 19.79 36.43 91.60 49.90 -63.83 -43.37 0.02 0.00 99.98 0.00 0.00 0.01 99.95 0.04 0.00 0.00 0.00 39 A H H 5.56 21.48 18.23 40.09 91.28 50.93 -62.55 -43.53 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 40 L H H 69.01 7.13 23.84 31.29 91.49 49.89 -63.35 -42.13 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 41 L H H 58.34 5.27 22.77 28.64 91.38 50.01 -63.89 -42.54 0.04 0.00 99.96 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 42 E H H 15.71 16.12 15.93 33.28 91.70 50.55 -64.03 -42.50 0.12 0.00 99.88 0.00 0.00 0.09 99.86 0.04 0.00 0.00 0.00 43 F H H 62.12 13.90 15.25 29.27 92.32 48.97 -64.67 -41.64 0.32 0.00 99.68 0.01 0.01 0.27 99.49 0.22 0.00 0.00 0.00 44 E H H 142.42 1.64 17.15 18.63 91.35 50.72 -65.30 -33.11 2.45 0.00 97.55 0.03 0.05 2.51 97.14 0.26 0.00 0.00 0.00 45 K C T 129.44 2.72 14.81 18.18 92.79 50.13 -85.94 -4.11 63.77 0.01 36.22 0.17 0.71 63.39 35.02 0.68 0.00 0.00 0.01 46 G C T 51.70 4.12 14.54 20.33 94.28 -116.71 74.45 18.64 99.89 0.01 0.10 0.79 1.90 97.25 0.03 0.02 0.00 0.00 0.00 47 V C C 65.15 8.45 16.14 25.79 97.69 124.97 -84.51 -17.90 99.02 0.91 0.07 52.87 45.63 0.61 0.02 0.03 0.00 0.30 0.54 48 I C S 23.51 21.06 10.81 31.10 113.33 67.71 -103.81 114.05 96.65 3.31 0.04 48.14 49.09 0.28 0.01 0.03 0.00 1.62 0.84 49 P C C 76.46 5.25 21.13 26.80 100.74 -164.25 -76.63 -11.69 96.18 3.78 0.03 78.66 17.07 0.48 0.00 0.04 0.00 3.41 0.33 50 I C C 57.20 14.11 13.70 28.01 130.03 50.05 -129.36 145.74 62.12 37.79 0.10 43.27 18.14 0.69 0.02 0.10 0.00 36.62 1.16 51 T E E 77.08 6.43 17.40 25.26 120.31 -150.17 -112.46 132.40 17.61 82.32 0.06 16.56 0.93 0.11 0.02 0.04 0.00 81.14 1.20 52 V E E 52.60 13.35 12.62 26.79 118.76 -159.11 -109.81 126.13 14.17 85.81 0.02 14.40 0.28 0.03 0.00 0.01 0.00 84.03 1.24 53 I E E 103.94 4.73 14.89 21.28 118.66 -162.90 -106.87 128.96 30.64 69.35 0.02 29.81 0.67 0.04 0.00 0.01 0.00 68.49 0.98 54 R C C 125.66 7.49 9.79 18.84 119.30 -162.58 -107.10 137.14 76.92 23.06 0.02 73.70 1.98 0.06 0.00 0.01 0.00 23.84 0.41 55 P C C 100.89 2.75 10.99 15.40 112.60 -107.45 -68.95 148.00 90.32 9.55 0.13 89.83 0.60 0.29 0.03 0.06 0.00 8.63 0.56 56 S C C 85.80 3.03 10.41 15.24 112.68 -118.90 -83.37 139.34 99.91 0.08 0.01 99.80 0.10 0.04 0.00 0.00 0.00 0.05 0.01