# 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 120.11 4.66 12.91 19.21 114.86 -137.20 -85.71 135.88 98.76 1.21 0.04 98.87 0.18 0.06 0.01 0.01 0.00 0.64 0.23 1 A C C 68.92 6.08 9.29 17.03 115.14 -127.28 -83.54 143.55 92.59 6.00 1.41 87.68 2.75 1.70 0.88 0.39 0.00 2.25 4.35 2 D C C 79.76 4.97 10.08 16.98 110.78 -119.62 -93.53 120.99 98.08 1.01 0.91 83.73 13.31 0.88 0.59 0.29 0.00 0.35 0.86 3 P H G 95.57 3.66 10.23 15.96 92.29 -144.15 -62.37 -25.06 41.85 0.46 57.69 8.21 4.90 27.34 8.85 50.23 0.00 0.27 0.18 4 K H G 146.30 1.78 12.76 15.18 92.55 64.37 -70.55 -22.14 38.90 0.53 60.57 4.27 4.51 29.00 9.98 51.70 0.01 0.33 0.20 5 Y H G 88.96 9.12 9.29 19.66 98.79 45.54 -98.29 -0.03 32.59 1.25 66.16 8.12 5.41 19.16 9.62 56.44 0.02 0.73 0.51 6 A C T 63.26 6.12 10.47 18.49 93.22 97.35 -64.46 -25.73 69.82 1.38 28.80 11.34 6.16 52.04 9.85 18.95 0.02 0.72 0.92 7 D C T 125.81 0.78 13.87 13.57 97.57 52.52 -94.47 8.90 81.86 0.72 17.43 11.81 7.67 62.08 3.55 14.06 0.00 0.40 0.43 8 L C C 67.66 8.80 6.88 17.01 113.93 119.33 -79.96 132.24 98.65 0.79 0.56 68.34 29.47 0.68 0.30 0.21 0.00 0.20 0.82 9 P C T 110.05 1.35 12.72 14.29 109.27 -109.41 -64.93 140.60 92.22 0.74 7.04 10.76 7.55 73.80 2.08 4.94 0.00 0.45 0.43 10 G C T 56.96 1.90 12.31 14.98 97.82 15.67 82.32 -2.75 90.16 1.59 8.24 10.80 9.85 69.29 2.99 5.28 0.01 1.15 0.62 11 I C C 81.60 8.39 8.77 18.21 110.37 115.78 -85.61 116.56 75.08 11.69 13.24 56.45 8.99 8.19 5.82 7.78 0.03 6.01 6.74 12 A C C 67.13 4.64 10.46 16.66 111.63 -143.14 -90.35 122.24 79.09 9.16 11.75 63.40 5.94 8.91 5.05 6.96 0.00 5.52 4.22 13 R C T 165.83 2.46 10.39 14.37 107.42 -155.58 -86.30 69.40 85.86 4.79 9.35 30.73 16.85 38.78 2.60 6.44 0.02 2.77 1.80 14 N C T 132.47 1.28 11.70 13.14 101.60 28.05 -91.64 29.69 93.24 2.16 4.59 31.06 25.00 37.05 0.80 4.09 0.00 1.24 0.75 15 E C C 118.71 3.99 8.79 14.77 118.45 129.77 -93.53 142.30 98.20 1.68 0.12 71.31 26.70 0.34 0.04 0.07 0.00 0.69 0.85 16 P C C 99.29 2.90 9.98 14.64 113.33 -104.24 -67.14 147.47 95.73 2.67 1.60 85.09 5.15 5.27 0.33 1.34 0.00 1.43 1.40 17 D C C 112.95 2.52 9.24 13.68 111.59 -119.03 -85.55 126.57 92.53 5.14 2.33 69.32 14.96 7.94 0.45 2.25 0.00 3.46 1.62 18 V C C 111.24 3.03 8.53 13.27 117.13 -164.15 -104.83 132.01 74.57 21.65 3.78 56.80 12.39 4.52 1.12 2.95 0.00 16.63 5.59 19 Y C C 162.40 2.82 8.19 12.92 116.60 -154.37 -104.64 130.56 63.45 32.55 4.00 51.30 7.85 3.33 1.47 2.78 0.01 26.01 7.25 20 E C C 144.07 1.99 9.00 12.74 115.87 -155.25 -96.82 134.88 71.61 24.58 3.81 62.90 5.26 2.77 1.30 2.51 0.00 21.19 4.07 21 T C C 97.76 3.31 7.10 12.39 115.48 -157.86 -101.86 135.60 84.01 10.53 5.46 68.74 8.38 6.34 1.20 4.59 0.00 8.24 2.51 22 S C T 94.98 1.11 8.57 10.56 109.84 -153.27 -90.50 128.99 91.28 4.65 4.07 28.03 31.50 31.98 0.52 3.79 0.00 3.22 0.96 23 D C C 126.88 0.94 8.19 9.90 107.61 -101.42 -89.31 86.83 93.02 4.01 2.97 37.03 26.44 29.55 0.33 3.12 0.00 2.44 1.09 24 L C C 110.90 3.67 6.14 11.80 114.72 131.60 -94.68 129.11 97.08 2.65 0.27 93.01 3.58 0.46 0.10 0.14 0.00 1.38 1.33 25 P C C 105.74 1.96 11.37 14.51 110.87 -108.70 -69.22 142.90 99.87 0.11 0.02 99.76 0.11 0.05 0.00 0.00 0.00 0.05 0.02