# 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 130.88 3.11 10.30 14.96 117.56 -152.45 -94.51 139.01 99.90 0.09 0.01 99.83 0.09 0.03 0.00 0.00 0.00 0.04 0.01 1 A C C 88.35 1.97 7.87 11.57 112.04 -116.49 -79.96 137.04 94.55 5.19 0.26 92.58 1.56 0.80 0.11 0.09 0.00 2.54 2.33 2 V C C 113.44 2.25 6.62 10.82 117.04 -138.61 -100.35 133.76 93.30 6.46 0.24 67.06 26.27 0.57 0.11 0.12 0.00 3.21 2.65 3 P C C 97.41 2.55 7.51 12.00 114.24 -106.94 -67.51 148.23 95.18 3.68 1.14 87.70 5.53 2.06 0.35 0.67 0.00 2.42 1.27 4 K C C 170.04 1.04 8.23 10.14 111.35 -118.30 -79.10 134.69 89.70 5.53 4.77 69.15 14.54 5.56 1.56 3.19 0.00 2.91 3.10 5 R C C 176.13 1.77 7.31 10.73 115.04 -127.06 -93.18 133.29 86.91 7.19 5.90 62.25 18.24 6.29 2.04 3.84 0.00 4.34 3.00 6 K C C 161.70 1.37 8.15 10.96 114.34 -151.73 -96.38 131.90 85.62 8.55 5.83 68.83 11.70 4.67 2.84 2.98 0.00 5.14 3.85 7 M C C 112.02 4.56 7.02 13.51 117.52 -136.52 -93.91 142.41 91.12 5.61 3.28 78.73 10.65 1.51 2.53 0.87 0.00 2.86 2.85 8 S C C 63.60 2.28 10.20 13.69 118.42 -116.35 -77.76 159.18 92.19 3.31 4.50 86.41 4.70 0.97 4.27 0.53 0.00 1.36 1.76 9 R H H 181.15 1.21 10.04 12.05 92.50 -106.39 -59.96 -35.49 16.99 0.30 82.71 5.43 3.49 8.91 76.27 5.56 0.05 0.16 0.12 10 S H H 76.75 1.11 11.22 12.17 92.63 54.84 -66.06 -37.37 17.75 0.52 81.73 5.48 3.16 10.18 73.99 6.63 0.06 0.33 0.17 11 N H H 77.98 3.19 10.64 15.35 94.37 51.23 -69.04 -36.03 15.10 0.99 83.91 7.87 3.12 6.01 74.74 7.26 0.05 0.71 0.25 12 T H H 65.31 4.04 10.38 16.24 93.66 56.07 -65.37 -40.43 13.15 0.93 85.92 7.24 2.73 4.84 80.44 3.86 0.04 0.61 0.24 13 R H H 154.30 1.35 12.78 13.95 92.65 51.75 -66.66 -38.30 17.08 1.06 81.85 8.12 2.92 7.36 76.74 3.81 0.06 0.70 0.29 14 H H H 124.51 1.68 12.30 14.16 94.03 51.41 -69.13 -35.29 22.57 0.91 76.53 10.52 3.91 9.18 71.87 3.65 0.05 0.53 0.30 15 R H H 137.18 3.27 10.91 15.51 94.53 56.16 -70.51 -33.01 31.67 1.03 67.30 15.40 5.57 11.89 62.29 3.87 0.04 0.53 0.41 16 R H H 149.02 2.65 10.85 14.70 97.11 57.50 -76.00 -22.01 40.18 1.10 58.71 20.72 6.64 14.06 52.22 5.27 0.03 0.54 0.51 17 S C H 73.58 2.49 10.21 13.96 98.35 68.36 -74.49 -21.36 51.79 1.02 47.19 24.93 9.02 18.25 37.29 9.46 0.03 0.50 0.52 18 Q C H 131.11 2.00 9.87 12.95 98.44 66.04 -80.62 -5.27 60.59 1.12 38.29 26.29 11.26 23.19 26.93 11.16 0.03 0.52 0.62 19 W C C 170.73 3.50 8.68 13.91 105.68 77.22 -86.53 41.39 69.16 1.91 28.94 36.73 15.34 17.26 19.25 9.54 0.02 0.92 0.93 20 K C C 149.03 2.06 10.15 13.71 113.52 112.82 -92.61 127.59 80.12 5.25 14.63 58.97 11.07 9.64 10.06 4.96 0.01 3.38 1.92 21 T C C 93.01 4.45 8.37 14.72 115.84 -149.17 -95.04 135.92 81.37 10.33 8.30 66.19 9.23 5.27 5.53 3.06 0.01 6.63 4.08 22 V C C 108.79 2.86 10.93 15.45 117.16 -154.88 -101.11 136.66 81.91 14.01 4.08 68.22 9.75 2.89 2.82 1.53 0.01 7.43 7.34 23 A C C 78.54 3.74 10.64 16.20 114.57 -117.18 -78.13 139.21 93.36 5.74 0.90 79.24 12.50 1.63 0.42 0.49 0.00 4.11 1.60 24 T C C 78.38 7.99 9.71 18.94 115.96 -112.46 -84.41 140.30 94.97 4.55 0.48 88.43 5.32 1.28 0.13 0.32 0.00 3.76 0.75 25 K C C 142.66 2.67 15.25 18.87 115.44 -139.78 -93.78 129.70 85.94 13.82 0.24 75.05 9.54 0.85 0.05 0.20 0.00 13.13 1.17 26 L E E 87.81 10.57 10.80 22.10 118.64 -141.39 -92.44 134.81 48.91 51.06 0.03 45.80 2.07 0.07 0.01 0.02 0.00 51.47 0.56 27 V E E 66.00 6.83 15.78 24.24 128.39 -173.10 -126.01 148.08 2.40 97.60 0.01 2.37 0.08 0.00 0.00 0.00 0.00 97.37 0.18 28 T E E 89.35 4.63 16.33 22.42 115.43 -112.88 -78.42 138.43 1.62 98.37 0.01 1.63 0.05 0.00 0.00 0.00 0.00 97.89 0.43 29 C E E 24.67 16.33 8.00 24.06 115.03 -123.09 -77.84 141.57 43.76 56.19 0.06 41.93 1.01 0.08 0.01 0.04 0.00 56.26 0.66 30 A C S 92.29 1.26 16.54 17.00 93.67 -140.55 -76.35 -15.01 85.58 14.27 0.15 38.79 44.06 2.04 0.01 0.17 0.00 14.35 0.58 31 N C S 67.59 6.89 9.73 18.69 116.26 87.52 -95.88 130.16 90.39 8.73 0.88 22.21 59.36 9.09 0.13 0.76 0.00 6.39 2.05 32 P C T 111.21 1.93 12.47 15.43 94.99 -120.90 -61.47 -30.08 93.92 0.49 5.59 5.88 22.69 63.50 0.13 7.32 0.00 0.30 0.18 33 A C T 84.59 2.03 12.92 15.66 93.44 46.35 -71.77 -12.02 92.64 1.32 6.04 7.01 20.64 63.44 0.13 7.52 0.00 0.91 0.34 34 C C C 46.38 9.30 9.40 20.01 99.44 55.73 -92.25 -8.31 72.25 20.91 6.84 39.62 14.13 19.29 0.47 7.12 0.02 16.55 2.80 35 G C C 50.95 3.25 14.45 18.88 99.04 -131.79 77.38 4.63 72.11 27.23 0.65 56.33 11.64 3.35 0.07 0.81 0.00 26.24 1.56 36 E E E 102.48 4.38 14.36 20.41 120.26 130.00 -85.91 145.58 49.89 50.00 0.11 44.07 4.48 0.30 0.01 0.11 0.00 50.39 0.63 37 K E E 126.28 5.81 15.61 23.00 114.81 -110.59 -76.69 138.22 11.71 88.27 0.02 11.09 0.60 0.04 0.01 0.01 0.00 85.92 2.32 38 H E E 60.93 13.27 12.74 26.68 129.69 -173.80 -128.21 149.72 10.22 89.76 0.02 9.84 0.42 0.02 0.02 0.01 0.00 78.91 10.78 39 L C C 76.82 6.34 18.77 25.89 116.37 -107.37 -73.02 146.75 86.41 13.56 0.03 85.19 1.31 0.11 0.00 0.03 0.00 12.64 0.71 40 P C T 55.87 11.31 15.44 27.50 110.74 -92.78 -61.72 143.00 98.62 1.21 0.16 2.90 14.64 81.08 0.00 0.22 0.00 1.02 0.13 41 H C T 102.81 8.89 18.43 27.97 94.25 14.80 76.42 10.24 97.79 2.09 0.13 3.54 13.47 80.53 0.00 0.19 0.00 2.15 0.10 42 T E E 46.12 8.72 18.57 28.76 127.66 108.75 -118.12 147.56 41.90 58.03 0.07 31.65 10.06 0.68 0.01 0.09 0.00 54.54 2.96 43 A E B 41.33 10.50 17.06 28.75 117.36 -127.22 -89.80 138.22 4.90 95.09 0.01 4.75 0.24 0.01 0.01 0.00 0.00 47.24 47.75 44 C C C 16.41 15.61 11.62 28.55 109.08 -121.15 -81.14 120.38 90.54 9.45 0.02 91.55 0.47 0.05 0.00 0.01 0.00 7.07 0.85 45 P C T 95.85 3.73 16.12 21.25 92.65 -150.23 -66.66 -25.96 99.63 0.10 0.27 0.55 3.05 95.99 0.00 0.31 0.00 0.07 0.02 46 S C T 85.48 1.69 15.54 17.27 97.07 48.36 -79.73 -34.40 99.62 0.07 0.30 0.13 2.15 97.40 0.00 0.28 0.00 0.04 0.01 47 C C T 63.09 6.36 13.28 21.21 102.67 21.12 -108.51 -12.50 99.52 0.17 0.31 0.92 5.02 93.59 0.01 0.30 0.00 0.09 0.06 48 G C C 41.18 4.94 15.84 22.20 96.83 -117.24 83.82 4.97 98.24 1.58 0.19 80.37 8.67 9.23 0.04 0.16 0.00 1.13 0.42 49 G C C 25.18 8.55 15.06 25.21 122.99 133.81 -82.12 159.70 65.50 34.40 0.11 59.36 5.37 0.38 0.04 0.09 0.00 24.97 9.80 50 Y E B 95.56 12.14 15.05 27.80 125.81 -143.48 -120.37 145.76 7.48 92.46 0.06 6.11 0.57 0.06 0.06 0.02 0.00 44.75 48.41 51 G C C 22.38 9.48 15.42 25.99 134.80 148.33 -147.37 176.95 86.72 12.99 0.29 77.00 7.65 1.11 0.05 0.28 0.00 13.02 0.89 52 P C C 84.12 5.35 15.56 21.89 111.19 -74.18 -69.78 148.47 86.94 5.82 7.24 38.70 25.75 22.99 1.27 6.01 0.00 3.90 1.39 53 R C C 148.41 5.64 12.16 19.17 105.93 -108.52 -79.22 116.24 81.35 5.55 13.10 30.79 24.17 27.38 3.01 9.37 0.04 2.87 2.38 54 G C C 47.70 4.50 12.51 18.31 103.46 43.10 -53.78 -12.84 75.70 4.94 19.36 38.24 20.57 17.73 4.96 13.75 0.01 2.72 2.02 55 D C C 99.23 4.08 11.14 16.68 103.51 70.48 -85.86 31.06 66.99 6.25 26.76 40.07 14.28 13.38 9.28 17.06 0.04 3.80 2.09 56 R C C 148.56 4.77 10.48 16.75 103.33 95.72 -87.17 16.68 61.63 9.21 29.16 38.45 12.15 11.72 11.93 17.12 0.08 6.11 2.44 57 R C C 147.59 4.44 10.47 16.65 112.80 104.59 -92.27 125.63 62.55 11.85 25.60 45.54 9.73 7.34 13.41 12.46 0.04 8.99 2.49 58 Q C C 122.24 3.73 10.51 16.01 113.21 -132.64 -88.88 129.42 63.64 18.52 17.84 51.08 7.04 4.87 12.35 5.89 0.03 15.31 3.43 59 V C C 101.65 4.62 8.57 14.91 112.28 -155.41 -95.58 121.01 64.58 23.31 12.11 52.04 7.59 3.73 9.68 3.28 0.03 19.59 4.05 60 V C C 102.20 3.56 8.24 13.68 117.49 -153.77 -104.93 135.40 66.91 23.05 10.04 53.56 7.81 4.28 7.72 2.97 0.02 20.26 3.37 61 E C C 152.90 1.49 9.43 12.35 113.45 -122.01 -85.62 132.94 76.55 17.13 6.32 70.98 1.57 3.82 4.19 1.77 0.00 14.03 3.64 62 A C C 79.12 4.35 9.36 15.52 110.64 -109.80 -79.90 135.10 99.72 0.25 0.03 99.66 0.09 0.05 0.01 0.00 0.00 0.17 0.01