# 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 117.96 4.23 10.10 16.17 117.75 -143.29 -93.79 138.89 99.91 0.07 0.01 99.76 0.16 0.03 0.01 0.00 0.00 0.03 0.01 1 P C C 96.54 2.95 8.80 13.57 113.00 -107.47 -67.15 148.71 86.75 0.77 12.49 81.78 1.01 6.61 4.28 5.53 0.00 0.41 0.39 2 S C C 92.42 1.54 7.81 10.82 106.85 -115.22 -79.05 111.58 76.75 1.83 21.42 41.01 14.99 21.00 7.58 13.52 0.01 0.87 1.03 3 Q C C 147.32 1.19 8.62 10.72 106.53 50.72 -90.73 54.40 69.31 2.97 27.73 37.75 16.54 15.52 13.08 14.07 0.03 1.43 1.58 4 K C C 115.04 5.04 7.31 14.23 116.56 112.25 -91.35 140.84 76.78 2.55 20.66 52.01 19.85 5.03 16.31 4.39 0.01 1.06 1.34 5 S C C 59.90 2.37 10.45 14.04 118.58 -122.28 -79.00 160.40 80.32 2.56 17.11 70.46 6.63 2.37 16.72 1.50 0.00 0.99 1.34 6 F H H 159.33 1.29 10.18 12.14 92.51 -109.09 -60.14 -37.44 3.37 0.03 96.61 1.44 0.68 1.17 96.32 0.37 0.00 0.01 0.01 7 R H H 156.98 1.09 12.11 12.91 92.05 52.11 -64.92 -40.15 1.62 0.01 98.36 0.49 0.22 0.81 98.11 0.35 0.00 0.01 0.00 8 T H H 62.34 3.27 11.66 16.54 92.00 48.52 -65.26 -41.10 0.88 0.01 99.11 0.28 0.11 0.43 98.87 0.31 0.00 0.00 0.00 9 K H H 110.73 2.85 13.19 17.12 91.87 50.78 -64.26 -40.76 0.44 0.00 99.55 0.13 0.04 0.21 99.49 0.12 0.00 0.00 0.00 10 Q H H 105.52 1.60 14.87 15.97 91.83 50.05 -64.56 -40.99 0.45 0.00 99.55 0.10 0.04 0.24 99.55 0.07 0.00 0.00 0.00 11 K H H 115.38 2.01 14.92 16.90 91.93 49.71 -64.76 -41.29 0.49 0.00 99.51 0.09 0.04 0.28 99.52 0.07 0.00 0.00 0.00 12 L H H 83.15 3.11 13.80 17.96 92.13 49.96 -64.49 -40.95 0.51 0.00 99.49 0.09 0.03 0.29 99.48 0.10 0.00 0.00 0.00 13 A H H 55.17 2.16 14.37 16.88 91.58 50.84 -63.57 -41.22 0.87 0.00 99.12 0.14 0.06 0.55 99.10 0.15 0.00 0.00 0.00 14 K H H 121.67 1.53 14.84 15.84 92.20 50.04 -65.13 -40.20 1.42 0.00 98.58 0.20 0.10 0.94 98.46 0.29 0.00 0.00 0.00 15 A H H 53.17 3.09 12.53 16.92 92.17 51.59 -64.63 -39.97 2.73 0.01 97.26 0.37 0.20 1.89 96.74 0.79 0.00 0.00 0.00 16 Q H H 113.98 2.03 13.11 15.68 92.25 51.80 -66.18 -36.31 9.30 0.04 90.67 0.98 0.69 7.14 89.66 1.49 0.01 0.01 0.02 17 K H H 139.58 1.64 12.32 14.30 93.62 52.97 -71.40 -28.68 26.65 0.22 73.13 4.52 2.56 19.45 70.70 2.54 0.04 0.09 0.12 18 Q C H 122.58 2.48 10.74 14.51 96.55 65.10 -74.11 -20.48 53.29 0.61 46.10 10.12 7.32 35.56 43.31 3.03 0.06 0.24 0.36 19 N C T 120.45 1.90 10.63 13.53 99.97 55.98 -90.21 14.48 77.29 0.93 21.78 24.59 12.30 40.73 18.10 3.35 0.01 0.37 0.53 20 R C C 143.63 2.94 9.49 14.40 118.68 118.51 -93.43 138.63 97.12 2.22 0.66 58.42 38.03 1.05 0.41 0.21 0.00 0.90 0.98 21 P C C 104.87 2.03 11.07 14.48 114.33 -104.18 -67.56 146.86 90.86 7.84 1.30 84.29 4.94 1.08 0.86 0.38 0.00 2.88 5.57 22 L C C 98.84 5.90 7.99 15.75 114.64 -108.75 -80.27 140.94 90.13 2.68 7.18 78.64 8.68 2.53 6.20 1.30 0.00 1.34 1.31 23 P C C 77.62 3.87 10.50 16.11 111.86 -104.68 -66.30 145.08 73.74 2.80 23.46 60.42 6.03 6.59 20.37 3.91 0.00 1.80 0.88 24 Q H H 135.62 2.07 10.64 14.07 95.48 -130.08 -67.74 -27.32 35.43 10.29 54.28 17.56 9.35 11.00 41.97 9.95 0.22 8.54 1.42 25 W H H 165.18 2.55 10.70 14.40 95.60 64.40 -73.11 -25.55 19.38 20.52 60.09 10.04 4.11 6.71 46.95 11.23 0.26 19.51 1.18 26 I H H 87.35 5.16 9.46 16.38 99.64 64.63 -79.00 -19.00 10.99 29.47 59.54 6.45 2.03 3.16 48.78 8.73 0.09 29.93 0.82 27 R H H 136.77 3.86 10.62 15.96 103.03 68.86 -85.30 -9.22 11.41 40.81 47.78 6.65 1.89 2.96 42.15 5.65 0.06 39.71 0.94 28 L E E 97.53 3.95 9.43 15.03 111.91 74.33 -96.69 123.29 15.74 54.07 30.19 9.63 2.47 3.51 28.91 3.82 0.06 50.03 1.57 29 R E E 148.76 3.27 8.51 13.60 115.92 -154.86 -97.52 125.79 25.96 56.97 17.08 16.79 4.16 4.54 16.71 2.93 0.06 52.69 2.13 30 T E E 90.96 2.80 8.07 12.40 114.67 -131.74 -110.49 115.77 41.89 42.32 15.79 16.71 9.88 16.90 12.97 3.95 0.27 36.36 2.96 31 D C T 132.21 0.61 10.13 10.21 98.29 -30.20 29.03 26.13 93.63 0.99 5.39 10.12 17.79 66.12 3.13 1.87 0.00 0.66 0.31 32 N C T 129.69 1.71 8.76 11.71 99.36 -49.24 57.76 24.63 95.34 1.65 3.01 13.27 25.28 57.32 1.05 1.53 0.00 1.21 0.33 33 K E E 141.13 1.66 9.93 12.84 119.30 116.93 -108.68 137.76 39.23 58.96 1.81 28.60 9.74 2.65 1.00 0.94 0.01 52.83 4.23 34 I E E 103.14 5.68 7.66 15.23 116.44 -140.61 -99.02 129.44 30.56 67.77 1.67 27.11 2.56 0.84 1.20 0.60 0.00 64.42 3.27 35 R E E 146.84 2.91 11.70 16.40 121.88 -170.24 -117.09 139.75 42.09 55.28 2.63 36.03 4.36 1.31 2.00 0.84 0.00 53.55 1.91 36 Y C C 135.92 5.90 9.39 17.14 119.60 -144.77 -107.76 137.43 57.66 36.29 6.04 46.17 8.02 2.58 4.73 1.71 0.01 33.68 3.10 37 N C C 75.82 4.98 10.45 17.41 114.79 -159.64 -107.93 118.42 85.86 8.22 5.92 76.72 6.45 2.32 4.70 1.50 0.00 6.81 1.50 38 A H H 75.33 3.68 9.98 15.54 94.32 -152.74 -66.68 -25.30 48.61 1.68 49.72 16.32 9.52 22.22 31.55 18.65 0.07 1.00 0.67 39 K H H 154.89 1.11 11.90 13.03 93.59 62.35 -73.00 -21.10 46.42 1.47 52.10 13.20 9.19 23.42 34.34 18.22 0.14 0.81 0.68 40 R H H 130.33 4.23 9.80 15.63 98.59 61.26 -85.73 0.46 42.28 1.75 55.97 22.25 9.00 11.33 37.23 18.51 0.04 0.94 0.69 41 R H H 127.93 5.25 10.08 16.99 98.62 93.64 -71.09 -29.04 43.83 1.40 54.78 28.24 7.49 8.90 44.44 9.63 0.01 0.75 0.54 42 H H H 121.56 2.88 11.61 15.58 101.36 59.53 -82.40 5.93 42.31 1.70 55.99 27.08 6.42 9.72 44.61 10.55 0.02 0.97 0.63 43 W H H 142.68 4.01 10.21 15.82 97.94 79.11 -73.34 -27.28 36.85 1.47 61.68 20.66 6.61 10.50 48.48 12.36 0.03 0.83 0.53 44 R H H 135.92 3.34 10.59 15.41 100.56 60.74 -76.04 -23.36 35.91 1.63 62.46 20.94 5.98 9.99 50.99 10.56 0.03 0.93 0.58 45 R H H 143.02 3.34 10.04 14.87 98.32 66.29 -72.79 -29.55 34.42 1.42 64.16 19.14 7.06 9.62 52.85 10.01 0.04 0.77 0.52 46 T H H 91.28 2.51 9.60 13.37 99.52 58.76 -77.69 -30.19 35.27 1.28 63.44 17.57 6.77 11.81 50.97 11.63 0.05 0.71 0.49 47 K H H 153.24 1.50 9.68 12.05 96.96 56.32 -73.31 -20.73 41.05 1.52 57.43 15.67 8.24 18.23 44.88 11.40 0.10 0.81 0.67 48 L C T 110.91 3.14 8.39 13.08 98.58 55.20 -84.52 -5.58 57.48 1.71 40.81 15.31 11.26 31.34 31.10 9.15 0.13 0.83 0.89 49 G C C 58.14 1.65 10.93 13.54 99.92 -109.98 75.12 13.32 92.23 1.00 6.77 53.90 3.84 35.51 4.01 1.74 0.00 0.55 0.46 50 I C C 98.01 5.99 9.91 17.47 106.57 131.10 -86.76 83.49 99.80 0.16 0.04 99.63 0.16 0.09 0.02 0.00 0.00 0.08 0.03