# 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 113.42 5.90 16.02 22.80 107.31 -129.71 -88.00 88.75 99.93 0.07 0.00 99.86 0.08 0.01 0.00 0.00 0.00 0.04 0.00 1 S C C 40.11 11.57 13.79 26.13 119.60 -156.25 -97.65 146.33 74.38 25.57 0.05 72.80 0.77 0.21 0.01 0.03 0.00 25.77 0.42 2 Q E E 78.75 9.33 19.56 29.39 125.31 -156.85 -117.33 141.68 14.80 85.17 0.03 12.38 1.69 0.11 0.00 0.02 0.00 85.58 0.21 3 L E E 13.57 22.29 15.72 38.05 122.76 -152.93 -114.30 135.47 1.16 98.84 0.00 1.07 0.03 0.00 0.00 0.00 0.00 98.87 0.02 4 K E E 68.00 9.87 25.98 36.28 120.87 -159.73 -112.26 132.86 0.26 99.74 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.76 0.00 5 I E E 5.79 25.53 17.30 43.58 120.97 -162.31 -114.31 129.02 0.19 99.81 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.83 0.00 6 T E E 39.44 9.49 25.85 36.02 123.83 -169.13 -119.20 136.01 0.32 99.68 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.70 0.00 7 Q E E 38.60 19.32 15.96 34.98 111.70 -125.86 -81.19 125.70 4.00 95.98 0.02 3.64 0.22 0.02 0.01 0.01 0.00 96.03 0.08 8 V E E 66.29 8.60 20.29 29.54 102.06 177.35 -96.88 -25.24 44.79 54.52 0.69 33.95 9.55 1.08 0.20 0.42 0.00 53.99 0.81 9 R C C 112.44 6.64 19.34 26.73 133.79 6.55 -141.33 150.29 68.50 28.67 2.83 38.80 25.74 4.71 0.75 1.83 0.01 26.66 1.50 10 S C C 58.34 10.43 15.53 26.39 116.63 -117.34 -80.78 142.91 86.03 10.79 3.17 70.22 11.14 4.26 0.84 2.35 0.00 9.75 1.44 11 T C C 58.67 11.96 14.12 26.60 99.36 -146.46 -92.35 3.20 84.34 8.75 6.91 67.49 9.63 6.80 1.98 5.11 0.00 5.49 3.51 12 I C T 100.78 7.35 13.13 21.94 111.61 118.25 -76.22 131.96 88.34 5.44 6.22 25.71 17.28 45.91 1.53 4.33 0.01 3.15 2.08 13 G C T 61.29 1.39 16.49 17.40 97.51 18.15 82.72 0.08 93.19 1.70 5.11 21.43 22.08 49.86 0.96 4.03 0.00 0.98 0.66 14 A C C 33.35 14.78 7.75 21.95 120.37 127.29 -83.21 153.04 95.35 2.08 2.57 51.04 42.12 2.27 1.44 0.90 0.00 0.64 1.58 15 R C C 140.12 2.37 16.65 18.92 115.14 -101.77 -71.07 149.35 96.55 1.29 2.16 87.84 7.77 0.76 2.09 0.26 0.00 0.39 0.89 16 W H H 178.87 3.43 12.89 18.24 91.53 -111.73 -56.88 -39.67 2.88 0.01 97.11 0.48 0.40 1.80 96.33 0.97 0.00 0.00 0.00 17 K H H 131.86 2.28 17.19 19.63 91.57 52.41 -64.28 -38.69 2.60 0.01 97.38 0.42 0.23 1.77 96.26 1.30 0.00 0.01 0.00 18 Q H H 38.63 14.53 15.12 30.04 92.18 49.72 -66.29 -40.38 1.37 0.03 98.60 0.43 0.15 0.74 97.50 1.16 0.00 0.02 0.00 19 R H H 69.99 14.70 16.14 30.69 91.57 52.48 -62.42 -42.31 0.61 0.01 99.38 0.17 0.06 0.29 99.14 0.32 0.00 0.00 0.00 20 E H H 101.25 2.49 23.39 24.54 91.50 49.85 -64.11 -41.21 0.92 0.01 99.07 0.16 0.06 0.60 98.88 0.30 0.00 0.00 0.00 21 S H H 24.62 10.12 19.94 31.48 91.79 50.59 -64.07 -42.51 1.40 0.02 98.59 0.22 0.12 0.95 98.26 0.43 0.00 0.01 0.00 22 L H H 4.73 24.74 15.09 40.03 91.85 50.18 -63.83 -42.06 1.42 0.05 98.53 0.33 0.14 0.85 96.56 2.06 0.01 0.03 0.01 23 R H H 127.19 7.52 20.29 28.69 91.51 50.97 -62.93 -40.64 2.48 0.02 97.50 0.25 0.13 1.84 93.98 3.76 0.01 0.02 0.00 24 T H H 88.14 3.17 21.31 24.52 90.73 54.60 -64.80 -30.05 9.28 0.02 90.71 0.26 0.30 8.86 87.47 3.07 0.02 0.01 0.01 25 L C T 28.61 17.59 15.52 33.45 92.28 55.48 -83.10 -8.20 66.49 0.10 33.41 0.56 1.75 64.12 30.78 2.63 0.03 0.04 0.08 26 G C T 35.81 5.13 23.50 29.53 97.37 -109.59 84.75 15.66 98.88 0.04 1.08 3.35 2.13 93.57 0.73 0.17 0.00 0.02 0.02 27 L C C 12.99 23.12 10.10 32.61 110.32 147.81 -82.99 116.79 97.43 0.87 1.69 94.91 1.57 1.32 0.78 0.52 0.00 0.30 0.61 28 R C C 156.39 3.10 19.40 23.14 101.09 163.45 -100.13 -17.89 97.65 0.84 1.51 78.73 15.28 3.61 0.62 0.78 0.00 0.35 0.63 29 R C S 133.56 2.48 19.84 22.17 129.50 37.61 -123.72 157.87 87.55 10.28 2.17 28.55 53.11 4.49 0.66 1.21 0.00 2.10 9.86 30 I C T 91.97 9.60 13.60 24.21 111.04 -87.99 -64.35 138.12 96.70 1.42 1.87 2.59 12.13 81.91 0.15 1.80 0.00 0.80 0.61 31 R C T 159.00 4.09 16.99 22.46 93.87 12.18 67.02 21.01 98.21 1.02 0.77 4.71 10.58 82.67 0.04 0.98 0.00 0.87 0.13 32 H C C 88.01 6.97 17.22 25.63 121.36 125.56 -99.41 142.33 77.64 22.07 0.29 59.95 17.20 0.89 0.05 0.32 0.00 19.39 2.20 33 S E E 48.22 14.78 14.61 29.16 125.86 -152.09 -111.77 145.36 25.05 74.91 0.03 24.55 0.45 0.04 0.01 0.02 0.00 74.22 0.71 34 V E E 38.56 13.01 18.19 32.30 126.67 -166.63 -126.34 140.75 5.83 94.16 0.00 5.29 0.22 0.01 0.00 0.00 0.00 94.39 0.08 35 I E E 79.51 12.20 18.59 31.04 119.45 -151.15 -110.13 127.92 1.06 98.94 0.00 0.97 0.03 0.00 0.00 0.00 0.00 98.96 0.04 36 R E E 71.55 12.67 16.21 29.67 131.29 175.32 -131.10 151.13 4.03 95.96 0.01 3.88 0.10 0.01 0.00 0.00 0.00 95.79 0.22 37 E E E 113.90 3.99 20.98 25.18 115.53 -101.50 -69.65 146.57 40.20 59.62 0.18 33.30 4.89 0.71 0.03 0.15 0.00 60.46 0.46 38 D C C 55.50 16.99 10.94 27.23 107.73 -109.01 -71.25 123.95 97.84 1.83 0.33 74.10 22.00 1.83 0.07 0.30 0.00 1.44 0.26 39 N C C 68.96 3.94 17.69 22.53 132.39 157.71 -132.81 169.11 98.96 0.30 0.74 83.17 15.36 0.39 0.69 0.10 0.00 0.08 0.21 40 A H H 87.24 1.79 14.82 17.11 91.24 -97.49 -59.49 -36.18 3.46 0.00 96.53 0.28 0.54 2.46 96.12 0.59 0.00 0.00 0.00 41 A H H 69.56 2.63 17.15 20.04 91.86 53.24 -64.56 -40.01 2.26 0.00 97.74 0.19 0.20 1.76 97.25 0.59 0.01 0.00 0.00 42 T H H 12.72 19.73 12.51 32.03 92.15 48.34 -66.01 -41.07 0.71 0.00 99.29 0.12 0.07 0.44 98.89 0.48 0.00 0.00 0.00 43 R H H 100.74 11.30 17.60 29.11 91.40 53.02 -62.10 -41.62 0.12 0.00 99.88 0.02 0.01 0.06 99.87 0.05 0.00 0.00 0.00 44 G H H 37.36 2.16 22.16 22.85 91.43 50.42 -63.11 -41.74 0.13 0.00 99.87 0.01 0.00 0.08 99.87 0.04 0.00 0.00 0.00 45 L H H 40.86 13.01 19.43 32.81 91.91 49.93 -64.95 -41.45 0.10 0.00 99.90 0.01 0.00 0.06 99.88 0.04 0.00 0.00 0.00 46 I H H 8.84 23.68 15.05 38.65 91.33 51.29 -63.95 -41.54 0.16 0.00 99.84 0.01 0.01 0.12 99.77 0.10 0.00 0.00 0.00 47 A H H 62.12 4.68 21.57 26.65 91.27 53.63 -64.26 -36.67 1.70 0.00 98.29 0.04 0.04 1.68 97.88 0.36 0.00 0.00 0.00 48 V H H 73.89 5.52 20.25 26.21 92.18 51.79 -67.94 -32.48 8.14 0.00 91.86 0.08 0.16 8.76 90.44 0.55 0.01 0.00 0.00 49 V H H 10.91 22.04 13.50 35.83 97.95 44.78 -96.24 -4.68 25.55 0.15 74.30 1.56 2.30 21.65 71.64 2.55 0.14 0.05 0.11 50 R H G 117.20 12.45 15.52 28.40 91.78 105.04 -58.92 -34.07 28.39 0.33 71.28 1.20 1.20 26.49 7.43 63.36 0.01 0.24 0.09 51 H H G 143.42 1.99 20.63 22.19 90.60 59.70 -72.19 -17.17 37.60 0.14 62.26 0.40 1.24 37.25 2.36 58.62 0.00 0.09 0.05 52 L H G 49.53 14.20 15.95 30.50 99.18 45.10 -101.92 -7.84 39.20 1.13 59.66 1.23 2.75 35.71 1.75 57.44 0.00 1.00 0.12 53 V E E 13.58 23.40 11.22 34.08 129.62 64.62 -120.29 147.36 9.05 90.88 0.07 6.88 2.31 0.12 0.02 0.03 0.00 90.19 0.44 54 E E E 104.18 4.29 24.18 28.64 118.85 -154.11 -107.73 134.27 1.15 98.84 0.01 1.01 0.05 0.00 0.00 0.00 0.00 98.91 0.03 55 V E E 44.89 20.46 12.01 31.34 122.37 -158.85 -117.50 131.87 1.38 98.61 0.00 1.28 0.05 0.00 0.00 0.00 0.00 98.62 0.05 56 E E E 97.57 4.23 20.02 25.10 127.15 -176.17 -128.33 144.01 5.57 94.41 0.01 5.08 0.29 0.02 0.00 0.01 0.00 94.52 0.08 57 P E E 85.10 6.39 15.49 23.28 114.02 -103.27 -66.06 143.32 14.47 85.39 0.14 13.27 0.97 0.16 0.04 0.07 0.00 84.87 0.61 58 A C C 47.87 12.57 9.41 22.04 113.52 -125.88 -88.29 137.62 75.44 20.10 4.46 61.39 8.95 4.34 1.12 3.21 0.00 19.33 1.65 59 Q C C 133.76 2.27 13.11 16.59 111.91 -147.06 -95.74 124.83 82.76 10.21 7.03 58.01 15.78 8.94 1.74 5.55 0.00 7.75 2.24 60 T C C 95.66 4.35 9.85 16.04 109.27 -169.53 -92.77 81.67 82.80 4.39 12.81 41.44 19.56 22.00 2.02 10.97 0.01 2.54 1.46 61 G C T 56.35 2.50 10.87 14.73 105.88 13.82 79.98 4.42 87.35 1.86 10.78 27.35 23.78 36.05 1.36 9.67 0.00 0.98 0.80 62 G C C 51.97 3.40 9.45 14.64 110.36 -59.68 73.49 129.90 88.41 2.85 8.74 40.54 24.47 22.98 1.08 8.31 0.00 1.55 1.07 63 K C C 151.28 2.36 9.71 13.82 113.18 -117.93 -96.72 128.20 93.28 3.62 3.10 84.74 3.65 5.33 0.83 1.86 0.00 2.23 1.35 64 T C C 99.77 3.45 10.14 15.59 113.91 -149.71 -95.04 129.48 99.87 0.12 0.01 99.81 0.08 0.03 0.00 0.00 0.00 0.06 0.01