# 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 R C C 165.70 3.01 17.40 21.49 113.98 -142.47 -93.23 124.56 99.66 0.32 0.02 99.63 0.13 0.03 0.01 0.00 0.00 0.15 0.05 1 I C C 49.20 16.42 9.05 24.91 117.69 -155.97 -100.20 130.30 95.57 3.76 0.68 95.73 0.44 0.30 0.32 0.14 0.00 1.61 1.45 2 D C C 78.91 3.88 17.05 21.68 110.35 -152.12 -99.60 113.90 95.44 2.83 1.73 92.92 1.91 1.08 0.67 0.70 0.00 1.30 1.43 3 Y C T 97.07 13.77 9.99 23.86 94.06 -162.28 -70.87 -18.01 72.23 0.68 27.09 9.84 10.24 51.54 4.58 22.99 0.00 0.37 0.43 4 R C T 169.49 2.00 14.90 17.48 93.33 65.76 -78.25 -14.61 72.26 0.55 27.19 6.32 10.99 54.46 5.18 22.31 0.01 0.28 0.46 5 N C C 74.11 6.07 12.56 20.38 107.14 65.79 -106.97 88.71 73.35 2.11 24.54 48.06 13.09 11.69 6.77 18.04 0.00 0.93 1.41 6 M H H 90.93 10.34 11.21 22.54 93.98 170.80 -65.58 -29.40 10.59 0.11 89.30 4.69 1.75 4.53 79.69 9.24 0.01 0.05 0.05 7 S H H 76.19 1.65 17.14 18.19 91.79 62.64 -64.59 -36.41 4.45 0.04 95.51 0.62 0.45 3.08 84.09 11.73 0.01 0.02 0.01 8 L H H 44.74 9.70 15.46 26.79 92.38 51.70 -65.98 -40.06 2.17 0.02 97.81 0.30 0.21 1.52 87.61 10.33 0.00 0.02 0.00 9 I H H 16.67 21.08 12.49 33.06 91.87 52.21 -64.80 -39.74 1.91 0.02 98.07 0.27 0.20 1.32 89.82 8.37 0.00 0.01 0.00 10 S H H 62.84 6.78 18.37 26.09 90.91 57.40 -65.02 -29.07 9.01 0.06 90.93 0.66 0.56 6.93 71.26 20.50 0.02 0.04 0.02 11 R H H 146.44 2.94 21.42 24.23 92.10 57.43 -72.58 -24.66 30.59 0.08 69.33 0.77 1.44 27.71 51.74 18.18 0.06 0.04 0.06 12 F H H 28.77 18.52 14.70 33.29 97.46 49.06 -96.17 -9.39 46.16 0.42 53.42 2.38 3.84 37.71 39.09 16.34 0.11 0.24 0.29 13 I E B 35.64 16.60 11.99 28.93 122.18 86.35 -99.95 139.77 5.89 93.85 0.26 3.14 0.79 0.03 0.26 0.02 0.00 9.20 86.55 14 S C C 38.35 6.76 13.43 22.17 123.64 -134.73 -81.67 171.82 97.35 2.53 0.11 97.73 0.24 0.11 0.03 0.03 0.00 1.41 0.44 15 E C T 168.68 0.93 12.64 13.73 90.63 -90.00 -63.07 -21.58 98.68 0.52 0.80 0.49 3.62 94.86 0.09 0.52 0.00 0.31 0.11 16 Q C T 139.09 1.03 14.43 14.48 92.67 54.97 -87.51 1.70 99.15 0.10 0.75 0.24 3.22 95.86 0.04 0.57 0.00 0.05 0.03 17 G C S 28.40 12.10 11.37 23.93 96.13 -106.06 82.65 8.76 99.46 0.24 0.30 11.40 86.79 1.38 0.03 0.22 0.00 0.10 0.09 18 K C C 108.55 3.75 19.40 23.98 120.32 134.61 -91.66 146.81 94.28 5.59 0.13 76.63 17.55 0.32 0.06 0.07 0.00 2.71 2.66 19 I E B 46.26 17.46 13.19 30.51 113.00 -113.67 -79.47 131.93 7.95 91.92 0.13 5.58 0.70 0.04 0.14 0.02 0.00 16.16 77.35 20 L C C 44.88 11.84 14.98 28.29 115.09 -125.16 -80.46 137.49 89.32 10.52 0.15 87.71 2.09 0.17 0.08 0.06 0.00 8.68 1.21 21 S C C 44.54 6.72 16.82 24.78 118.21 -128.30 -79.77 155.64 95.89 3.18 0.93 93.03 2.54 0.42 0.75 0.16 0.00 1.51 1.59 22 R H H 134.98 8.08 11.82 21.21 92.19 -113.45 -60.83 -31.59 42.60 0.31 57.09 2.42 4.75 34.52 42.03 15.56 0.28 0.14 0.30 23 R H H 176.71 1.21 14.75 15.66 92.31 59.27 -68.89 -28.37 43.74 0.31 55.94 2.08 4.48 35.50 40.68 16.40 0.40 0.15 0.32 24 V H H 81.15 5.60 12.62 19.60 98.90 42.21 -92.15 -21.08 45.24 0.77 53.99 4.09 8.50 31.90 39.08 14.86 0.51 0.35 0.69 25 N C C 53.69 13.27 9.53 22.59 108.66 67.58 -93.15 85.24 73.54 1.59 24.87 34.97 20.52 18.88 20.45 3.41 0.06 0.50 1.20 26 R C C 186.51 1.17 17.13 17.36 97.47 -137.46 -50.55 24.09 94.24 1.48 4.28 49.09 21.98 23.57 2.18 1.71 0.00 0.67 0.79 27 L C C 42.68 14.63 7.28 21.56 118.92 137.02 -81.92 145.43 96.51 2.14 1.35 67.03 28.24 1.14 1.01 0.34 0.00 0.67 1.58 28 T C C 75.23 1.88 16.96 17.98 119.50 -116.05 -77.16 161.69 97.65 1.71 0.63 96.41 1.28 0.22 0.50 0.07 0.00 0.49 1.04 29 L H H 113.00 3.92 12.10 17.92 91.65 -105.41 -57.50 -39.50 1.50 0.00 98.49 0.32 0.24 0.76 98.41 0.27 0.00 0.00 0.00 30 K H H 143.23 1.05 16.00 15.83 91.87 52.12 -64.09 -40.36 0.67 0.00 99.33 0.08 0.05 0.44 99.13 0.31 0.00 0.00 0.00 31 Q H H 74.22 6.78 15.15 23.34 92.18 48.30 -66.66 -39.64 0.26 0.00 99.74 0.04 0.02 0.15 99.52 0.27 0.00 0.00 0.00 32 Q H H 47.18 14.07 13.34 27.84 91.71 52.41 -62.79 -41.41 0.11 0.00 99.88 0.02 0.00 0.06 99.86 0.06 0.00 0.00 0.00 33 R H H 139.23 2.60 19.76 22.21 91.58 50.67 -64.04 -40.90 0.14 0.00 99.86 0.01 0.00 0.08 99.87 0.03 0.00 0.00 0.00 34 L H H 86.23 3.48 20.29 23.69 91.99 49.67 -64.82 -41.76 0.13 0.00 99.87 0.01 0.00 0.09 99.87 0.03 0.00 0.00 0.00 35 I H H 29.15 15.77 16.80 32.95 92.07 49.43 -64.61 -42.39 0.15 0.00 99.85 0.02 0.01 0.09 99.86 0.03 0.00 0.00 0.00 36 T H H 47.71 10.22 19.31 30.21 91.82 50.88 -63.26 -42.12 0.16 0.00 99.84 0.01 0.00 0.10 99.86 0.02 0.00 0.00 0.00 37 S H H 55.28 2.67 22.16 23.80 91.67 49.78 -64.17 -41.82 0.14 0.00 99.86 0.01 0.00 0.09 99.87 0.02 0.00 0.00 0.00 38 A H H 32.14 7.94 19.26 28.64 91.88 50.32 -64.47 -41.91 0.13 0.00 99.87 0.01 0.00 0.09 99.87 0.03 0.00 0.00 0.00 39 I H H 33.23 15.26 17.40 32.97 92.07 49.70 -64.21 -42.42 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 40 K H H 105.30 5.07 20.88 26.45 91.72 50.46 -63.54 -41.49 0.14 0.00 99.86 0.01 0.00 0.09 99.87 0.03 0.00 0.00 0.00 41 Q H H 96.22 2.79 20.66 22.91 91.91 49.60 -64.83 -41.18 0.23 0.00 99.77 0.02 0.01 0.15 99.78 0.05 0.00 0.00 0.00 42 A H H 23.61 9.75 15.18 26.90 91.63 51.27 -64.18 -41.42 0.32 0.00 99.68 0.03 0.01 0.21 99.63 0.11 0.00 0.00 0.00 43 R H H 102.30 7.62 15.94 24.68 92.11 51.06 -64.61 -40.52 0.61 0.00 99.39 0.06 0.03 0.45 99.23 0.23 0.00 0.00 0.00 44 I H H 100.81 2.65 15.52 18.54 92.78 49.05 -66.81 -39.55 1.32 0.00 98.67 0.09 0.06 1.08 98.45 0.31 0.00 0.00 0.00 45 L H H 103.68 2.59 14.18 17.31 94.47 44.75 -72.70 -33.96 7.75 0.01 92.24 0.19 0.26 7.69 91.14 0.68 0.01 0.00 0.00 46 S H H 70.69 3.44 13.53 17.81 98.48 32.80 -89.72 -23.85 47.82 0.03 52.15 0.48 1.07 46.59 50.72 1.10 0.01 0.01 0.02 47 L C T 92.97 4.57 12.39 18.35 99.53 40.21 -87.32 -20.19 68.99 0.24 30.77 3.90 8.99 53.99 30.65 2.13 0.03 0.08 0.23 48 L C C 78.91 6.74 9.72 18.09 102.33 71.36 -79.77 -5.66 65.19 1.16 33.65 27.79 23.43 14.40 9.27 23.81 0.02 0.51 0.78 49 P C C 93.12 2.53 11.78 15.42 96.62 68.97 -68.81 -21.19 62.98 0.79 36.23 29.63 10.70 22.26 7.38 29.22 0.00 0.42 0.39 50 F C C 140.82 3.08 10.16 14.79 100.25 62.33 -83.00 -5.30 60.43 2.81 36.76 31.93 9.45 19.84 7.71 28.37 0.01 1.56 1.13 51 L C C 99.31 5.56 7.99 15.16 106.94 82.23 -87.96 79.31 82.82 2.42 14.76 73.23 2.51 8.40 5.99 7.32 0.00 1.36 1.18 52 N C C 124.08 2.10 12.48 15.80 105.78 -149.74 -88.89 81.26 99.92 0.05 0.03 99.77 0.10 0.08 0.01 0.00 0.00 0.02 0.01