# 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 104.74 6.03 10.59 18.19 115.72 -158.70 -94.73 134.46 99.78 0.16 0.05 99.67 0.13 0.06 0.03 0.00 0.00 0.08 0.03 1 A C C 68.59 3.10 10.15 14.74 113.45 -140.99 -86.39 152.24 79.15 1.92 18.93 74.64 1.27 4.49 15.30 2.42 0.00 0.89 1.00 2 H H H 134.48 3.38 8.58 13.56 97.76 -116.77 -70.49 -28.40 48.68 2.13 49.19 28.53 9.48 11.95 36.25 11.73 0.03 1.11 0.91 3 E H H 133.94 2.20 10.30 13.75 96.35 63.67 -70.20 -28.28 38.16 1.59 60.25 19.09 7.65 12.07 43.55 16.10 0.05 0.93 0.57 4 N H H 99.40 3.06 10.69 15.17 97.85 57.54 -79.71 -14.95 35.66 1.86 62.48 20.05 6.79 9.59 45.25 16.54 0.04 1.13 0.61 5 V H H 78.81 5.48 9.93 17.10 96.61 63.92 -73.93 -31.51 34.82 2.97 62.21 19.40 7.52 9.96 46.75 13.49 0.09 1.86 0.94 6 W H H 155.68 4.51 11.24 17.21 97.25 57.70 -76.23 -21.62 42.00 4.52 53.49 20.36 8.90 14.72 38.95 12.48 0.21 2.84 1.55 7 F C C 137.60 3.92 11.56 16.86 99.94 56.25 -88.34 6.17 59.23 4.35 36.42 29.14 11.85 19.19 26.51 8.98 0.12 2.41 1.81 8 S C C 68.63 5.10 10.82 17.56 105.16 93.90 -87.22 25.22 79.36 4.40 16.23 46.48 21.21 11.60 11.74 4.56 0.02 2.01 2.37 9 H C C 113.88 5.24 10.50 17.56 118.18 49.98 -100.09 136.67 94.23 3.22 2.55 54.53 37.40 2.53 1.59 0.89 0.00 1.24 1.82 10 P C C 87.32 4.39 11.50 17.62 111.52 -104.25 -65.80 146.73 88.13 2.35 9.52 70.36 7.69 9.77 2.93 6.68 0.00 1.31 1.25 11 R C C 156.59 4.73 9.90 16.29 109.40 -127.61 -82.55 125.51 85.34 2.20 12.46 36.30 23.33 26.00 2.48 9.63 0.01 1.00 1.26 12 N C C 126.97 1.57 12.53 14.69 105.74 -155.82 -94.56 59.55 84.38 3.68 11.94 35.16 24.66 25.05 2.23 9.25 0.01 1.67 1.98 13 F C C 123.06 6.36 8.61 16.46 115.36 83.03 -101.00 130.38 87.71 5.17 7.12 56.54 21.65 8.76 2.10 4.88 0.00 2.07 3.99 14 G C C 40.15 3.68 11.54 16.72 127.04 -155.44 -123.29 172.88 93.01 3.19 3.80 62.17 23.82 6.29 1.00 2.82 0.00 1.19 2.72 15 K C T 171.87 1.06 12.17 13.44 106.33 -55.27 -66.28 119.35 89.67 1.11 9.23 5.07 10.26 72.91 0.74 9.73 0.00 0.67 0.61 16 G C T 55.21 2.66 13.23 16.72 96.47 21.82 81.13 -0.36 90.58 0.67 8.74 6.15 9.10 73.80 0.63 9.60 0.00 0.42 0.30 17 S C C 43.15 9.71 11.22 22.33 110.92 120.85 -81.39 131.08 89.95 3.56 6.49 69.73 14.15 4.97 0.95 6.39 0.00 1.79 2.03 18 R C C 118.12 8.37 16.12 25.20 106.21 105.28 -102.87 13.02 85.70 12.43 1.87 69.32 12.45 3.13 0.58 1.41 0.00 7.84 5.28 19 Q E B 89.33 6.56 19.16 26.67 125.02 102.99 -111.33 145.62 37.20 62.47 0.33 30.77 1.88 0.09 0.24 0.05 0.00 10.59 56.37 20 C C C 14.15 18.39 11.10 30.02 110.06 -108.91 -69.30 130.95 94.03 5.90 0.07 94.46 0.68 0.06 0.03 0.02 0.00 2.53 2.22 21 R C T 145.10 4.45 18.11 23.68 93.13 -146.30 -70.05 -26.20 99.58 0.27 0.14 1.07 13.22 85.33 0.01 0.12 0.00 0.16 0.09 22 H C T 103.76 6.41 16.13 23.57 100.44 42.66 -86.16 -41.13 99.78 0.12 0.09 0.16 7.01 92.67 0.00 0.06 0.00 0.06 0.03 23 C C T 60.50 6.34 14.08 21.98 103.89 18.91 -110.66 -11.46 99.61 0.25 0.14 0.95 11.65 87.07 0.01 0.11 0.00 0.13 0.08 24 S C C 77.88 4.21 15.25 20.88 95.69 -123.90 73.63 10.05 98.44 1.46 0.10 70.61 25.78 1.94 0.03 0.07 0.00 0.54 1.02 25 S C C 48.99 6.72 14.08 22.73 116.73 137.30 -80.41 142.39 95.13 4.53 0.34 73.98 19.45 1.10 0.12 0.22 0.00 1.43 3.70 26 H C C 117.84 7.63 16.20 24.89 104.76 -133.74 -87.86 39.72 59.66 37.33 3.01 38.74 13.30 4.41 1.49 1.35 0.07 8.09 32.55 27 S C C 46.42 9.43 16.52 26.60 118.49 111.22 -107.00 151.53 90.08 4.56 5.36 56.24 20.18 13.88 1.94 3.09 0.00 2.22 2.44 28 G C C 24.30 10.00 17.46 28.13 116.91 -114.88 62.19 -149.42 76.75 3.85 19.40 39.90 24.32 13.22 11.23 7.21 0.03 1.66 2.43 29 L C S 59.75 10.22 17.68 28.61 94.61 -50.38 -70.30 -29.64 57.06 7.37 35.57 16.38 23.34 19.32 22.34 10.64 0.66 3.77 3.56 30 I H H 28.88 16.63 12.45 29.22 96.92 57.84 -76.83 -23.04 25.63 28.17 46.20 11.76 7.24 9.60 27.71 15.35 2.00 12.71 13.62 31 R H G 137.04 5.35 14.58 21.48 92.78 66.52 -64.26 -39.18 16.12 3.37 80.52 8.12 2.50 6.41 25.68 53.86 0.03 3.00 0.41 32 K H G 153.44 1.62 15.08 16.96 91.60 55.04 -67.81 -28.42 18.03 1.16 80.81 2.21 2.39 13.29 17.65 63.24 0.12 0.86 0.24 33 Y H G 112.31 7.54 12.98 21.89 96.73 42.22 -98.01 6.01 31.43 0.19 68.38 0.80 2.16 28.47 8.53 59.84 0.01 0.10 0.09 34 G C T 51.62 2.68 18.06 20.94 95.52 -106.29 78.98 12.58 99.59 0.07 0.35 3.54 3.52 92.62 0.07 0.20 0.00 0.03 0.02 35 L C C 33.02 16.89 10.37 27.32 115.31 137.23 -93.38 130.66 95.29 4.44 0.27 91.03 3.65 0.62 0.10 0.14 0.00 1.79 2.68 36 D C S 92.31 5.24 21.12 27.06 99.54 -159.13 -98.20 11.36 95.75 3.90 0.35 43.48 51.15 1.74 0.14 0.20 0.00 2.03 1.26 37 L C S 37.94 13.63 17.15 31.65 131.60 86.42 -115.31 157.03 85.20 14.02 0.78 20.61 64.08 1.51 0.54 0.23 0.00 4.86 8.16 38 C C C 27.62 11.82 18.74 31.84 115.03 -98.63 -69.73 149.37 89.25 10.00 0.74 85.60 3.37 0.35 0.64 0.12 0.00 3.79 6.14 39 R H H 100.44 11.79 17.13 29.37 92.11 -120.23 -59.84 -38.35 1.77 0.01 98.22 0.28 0.23 1.12 97.94 0.43 0.00 0.00 0.00 40 Q H H 100.29 2.91 22.36 24.65 91.58 53.59 -64.25 -41.06 0.82 0.00 99.18 0.06 0.06 0.64 98.80 0.44 0.00 0.00 0.00 41 C H H 26.87 9.33 18.63 29.81 91.75 49.02 -64.94 -42.06 0.54 0.00 99.45 0.06 0.04 0.39 98.96 0.54 0.00 0.00 0.00 42 F H H 15.44 20.22 14.88 35.27 91.67 50.43 -63.99 -42.86 0.13 0.00 99.86 0.02 0.01 0.08 99.82 0.08 0.00 0.00 0.00 43 R H H 110.12 7.68 19.13 27.52 91.43 51.07 -63.32 -41.87 0.20 0.00 99.80 0.02 0.01 0.14 99.74 0.09 0.00 0.00 0.00 44 E H H 112.79 1.90 21.66 21.94 91.86 48.96 -65.24 -41.44 0.66 0.00 99.34 0.04 0.03 0.54 99.26 0.13 0.00 0.00 0.00 45 K H H 65.97 9.31 17.51 27.86 93.58 45.11 -72.16 -36.37 1.96 0.01 98.03 0.15 0.13 1.59 97.90 0.22 0.00 0.00 0.00 46 A H H 13.24 15.21 11.76 28.07 91.89 57.30 -62.64 -41.59 3.19 0.03 96.78 0.66 0.31 2.10 95.11 1.78 0.01 0.01 0.01 47 A H H 68.09 3.12 15.48 19.45 91.68 51.62 -64.18 -39.47 4.20 0.03 95.77 0.53 0.26 3.22 91.06 4.89 0.01 0.02 0.01 48 D H H 113.46 1.42 15.63 16.59 91.29 53.81 -67.87 -26.40 12.03 0.05 87.93 0.50 0.47 11.32 84.22 3.42 0.03 0.02 0.02 49 I C T 79.85 7.82 11.44 20.68 95.43 49.95 -91.68 -0.57 60.16 0.07 39.77 0.66 1.69 58.57 35.92 3.05 0.02 0.03 0.07 50 G C T 56.12 1.54 16.00 16.99 98.13 -99.43 87.52 8.76 99.01 0.05 0.94 2.61 2.87 93.66 0.67 0.14 0.00 0.02 0.02 51 F C C 82.19 10.98 8.12 19.54 113.03 127.35 -90.97 122.36 94.06 3.49 2.45 77.59 12.58 3.49 1.26 1.24 0.00 1.80 2.04 52 N C C 105.83 3.25 12.10 16.82 116.82 -152.53 -101.09 134.99 88.29 5.81 5.89 66.18 14.24 7.42 1.83 4.36 0.00 3.57 2.40 53 K C C 136.79 4.30 9.96 16.11 110.42 -141.93 -86.23 119.62 86.51 6.11 7.38 46.07 23.17 17.33 1.26 6.37 0.00 3.88 1.91 54 Y C C 157.02 3.62 8.81 14.20 111.79 71.39 -92.68 118.85 92.81 2.77 4.43 78.85 3.22 11.14 0.87 3.11 0.00 1.90 0.91 55 R C C 164.01 3.21 11.18 16.11 110.45 -155.90 -91.97 114.80 99.81 0.14 0.04 99.62 0.15 0.10 0.01 0.01 0.00 0.08 0.02