# 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 124.84 3.55 9.56 15.08 118.28 -149.08 -94.25 139.73 99.93 0.06 0.00 99.76 0.19 0.02 0.00 0.00 0.00 0.03 0.01 1 P C C 103.99 2.33 8.42 12.65 113.90 -104.65 -67.23 147.99 98.27 0.89 0.83 96.25 0.44 2.01 0.21 0.33 0.00 0.42 0.34 2 K C C 165.35 1.25 7.50 10.23 114.06 -112.02 -80.90 140.42 90.28 7.52 2.20 76.43 9.02 4.18 0.68 1.54 0.00 3.89 4.26 3 A C C 90.54 2.12 6.83 10.84 113.27 -114.62 -82.68 137.24 86.95 10.31 2.74 72.50 10.55 3.44 0.91 1.88 0.00 6.81 3.89 4 K C C 156.75 1.59 8.75 11.84 117.89 -144.00 -101.00 138.33 84.17 12.97 2.87 70.59 10.14 2.93 1.30 1.57 0.00 8.54 4.92 5 T C C 99.03 3.55 8.15 13.80 117.49 -133.27 -96.31 140.25 84.36 11.95 3.69 69.97 10.66 3.20 2.13 1.66 0.00 7.45 4.93 6 H C C 124.22 4.38 9.10 15.21 113.60 -140.67 -94.61 125.34 87.80 6.07 6.13 73.28 10.81 3.33 4.71 1.74 0.00 3.45 2.68 7 S C C 78.26 2.77 11.55 15.42 102.75 -151.43 -79.46 -19.81 57.08 2.37 40.55 33.96 11.42 12.82 29.23 10.24 0.04 1.16 1.12 8 G H H 42.65 3.82 12.10 17.22 95.85 56.53 -64.25 -33.38 42.27 1.16 56.57 14.32 9.68 18.70 38.85 17.17 0.10 0.59 0.58 9 A H H 46.88 8.51 10.54 20.26 93.66 60.10 -69.96 -29.29 28.53 1.13 70.33 10.61 5.54 12.06 44.87 25.77 0.08 0.65 0.43 10 S H H 62.36 6.32 12.30 20.07 93.67 66.16 -66.88 -25.80 25.93 1.35 72.72 9.66 4.87 11.13 44.08 28.92 0.07 0.82 0.43 11 K H H 142.95 2.34 15.24 18.05 94.07 60.37 -77.21 -14.95 37.27 2.02 60.70 11.30 7.06 18.46 35.86 25.22 0.14 1.27 0.70 12 R C T 117.78 7.45 13.97 22.29 97.79 57.20 -90.43 -11.79 55.21 5.54 39.26 16.30 15.18 24.99 21.74 16.16 0.25 3.80 1.57 13 F E E 74.24 13.07 10.61 24.03 122.61 72.28 -107.12 138.32 39.95 55.53 4.52 30.46 7.23 3.27 2.65 2.20 0.03 51.36 2.79 14 R E E 134.01 3.67 15.83 21.01 126.27 -170.98 -123.27 146.66 13.01 86.57 0.42 11.78 1.06 0.26 0.30 0.16 0.00 85.59 0.84 15 R E E 147.95 5.18 10.93 18.19 115.17 -121.04 -86.65 131.47 5.37 94.52 0.12 4.88 0.25 0.04 0.13 0.03 0.00 80.55 14.11 16 T C C 59.59 6.27 8.52 16.62 120.47 -144.18 -87.92 172.02 91.79 8.13 0.08 91.79 0.55 0.13 0.02 0.03 0.00 6.71 0.78 17 G C T 69.12 0.39 9.99 9.54 92.32 -93.04 -63.92 -20.60 97.63 1.50 0.86 1.69 9.26 86.75 0.05 0.89 0.00 1.20 0.16 18 T C T 111.30 0.83 10.29 10.80 94.49 56.37 -89.55 -0.52 98.94 0.17 0.89 0.80 7.76 90.32 0.04 0.95 0.00 0.10 0.04 19 G C S 44.88 4.04 10.72 16.52 97.73 -103.39 86.98 5.75 98.89 0.43 0.69 11.04 83.88 4.11 0.06 0.53 0.00 0.24 0.14 20 K C C 106.38 4.17 12.62 18.61 119.12 131.69 -86.26 145.43 92.34 7.53 0.13 88.38 4.04 0.25 0.06 0.06 0.00 5.91 1.29 21 I E E 68.17 9.91 11.26 22.87 116.32 -128.99 -95.59 131.13 1.67 98.32 0.01 1.68 0.07 0.01 0.01 0.00 0.00 93.40 4.84 22 V E E 62.66 7.50 15.15 24.37 123.60 -165.80 -113.52 141.79 7.68 92.25 0.06 7.66 0.24 0.03 0.06 0.02 0.00 91.74 0.26 23 R E E 113.20 9.76 13.00 23.86 123.00 -153.98 -110.18 139.12 29.65 69.70 0.65 27.13 1.82 0.31 0.49 0.20 0.00 68.53 1.51 24 Q C C 90.72 7.54 12.53 21.50 119.71 -118.61 -86.64 145.14 71.36 26.33 2.30 64.36 5.15 1.20 1.38 0.95 0.00 25.07 1.89 25 K C C 119.51 5.33 12.08 18.87 113.84 -110.61 -75.54 140.22 88.01 6.01 5.98 80.94 4.62 2.65 3.16 2.53 0.00 4.20 1.91 26 A C T 70.07 4.95 10.18 16.81 109.01 -110.81 -70.29 139.81 74.05 1.47 24.49 16.35 13.94 43.58 11.16 13.29 0.05 0.82 0.83 27 N C T 115.90 2.43 11.17 14.65 99.29 20.68 -51.08 25.70 73.18 0.89 25.93 20.14 11.77 41.31 13.00 12.69 0.04 0.41 0.65 28 R C C 133.61 5.07 8.98 15.72 101.43 137.90 -83.27 -1.77 52.03 1.07 46.91 33.07 9.37 9.72 28.45 18.31 0.01 0.48 0.58 29 R H H 164.81 2.14 10.45 13.87 96.70 108.10 -72.19 -28.26 36.25 0.95 62.80 15.13 6.81 14.21 35.34 27.55 0.05 0.50 0.42 30 H H H 128.48 2.43 10.31 13.87 96.83 57.73 -77.80 -16.48 33.89 1.01 65.10 11.51 6.08 15.85 35.47 30.01 0.10 0.55 0.42 31 L H H 97.09 4.08 9.89 15.64 98.82 57.93 -81.27 -8.39 37.94 1.37 60.69 17.45 7.43 13.15 34.33 26.24 0.08 0.70 0.63 32 L H H 91.89 6.08 9.17 16.82 100.12 71.73 -83.28 -1.80 44.88 1.62 53.50 25.97 7.13 11.81 27.04 26.42 0.03 0.82 0.77 33 E C T 137.15 2.24 10.62 14.20 96.11 99.88 -70.75 -21.17 58.48 1.17 40.35 15.15 11.49 31.73 19.21 21.11 0.04 0.57 0.70 34 H C T 155.99 1.18 10.83 12.27 99.53 49.70 -95.05 8.49 66.69 1.02 32.29 20.86 14.65 32.00 12.65 18.67 0.02 0.46 0.70 35 K C C 91.65 7.69 6.97 16.03 118.46 114.80 -87.68 142.21 97.52 0.51 1.97 52.05 44.45 0.99 1.63 0.31 0.00 0.12 0.45 36 P C C 80.47 2.38 11.29 14.80 113.63 -105.69 -64.96 149.32 92.37 0.46 7.17 88.87 2.08 1.93 5.77 0.87 0.00 0.15 0.32 37 T H H 102.89 2.23 9.33 13.19 93.43 -116.05 -61.83 -34.28 35.32 0.39 64.30 12.58 9.78 14.25 55.60 7.37 0.04 0.15 0.23 38 K H H 147.18 1.05 11.95 12.66 93.53 58.17 -67.42 -34.66 24.22 0.44 75.35 6.87 5.89 12.33 66.83 7.60 0.07 0.22 0.19 39 R H H 119.23 3.70 11.16 16.33 94.80 51.26 -70.47 -36.33 17.78 0.62 81.59 9.04 3.61 6.33 71.69 8.75 0.03 0.38 0.18 40 T H H 56.64 7.22 9.94 18.81 92.96 54.47 -65.58 -38.71 16.07 0.67 83.26 8.87 2.96 5.49 73.80 8.24 0.02 0.43 0.19 41 R H H 157.82 1.66 13.49 15.44 92.85 54.40 -66.73 -35.21 19.54 0.64 79.83 7.03 3.42 9.45 66.67 12.75 0.07 0.39 0.22 42 R H H 158.03 1.91 13.86 16.08 93.12 56.52 -71.41 -24.84 27.80 0.71 71.49 7.80 4.36 15.41 59.33 12.28 0.11 0.40 0.30 43 L H H 72.77 9.67 10.03 20.63 97.23 56.77 -87.43 -3.99 44.77 1.68 53.56 17.06 8.10 20.48 42.68 9.89 0.11 0.86 0.81 44 D C T 98.41 4.31 12.03 18.35 108.96 105.25 -76.28 124.47 77.57 3.22 19.21 27.58 13.22 36.75 15.27 4.08 0.06 1.65 1.39 45 G C T 49.91 2.48 14.79 17.82 116.61 31.11 101.37 -164.10 88.38 6.80 4.82 26.42 25.34 37.63 1.81 2.48 0.01 5.35 0.96 46 R C C 151.27 5.02 12.78 19.61 118.42 -42.92 -99.93 135.72 73.51 25.13 1.36 60.32 9.49 2.25 0.45 0.83 0.00 25.65 1.00 47 T E E 66.10 8.10 13.28 22.90 127.17 -174.02 -126.35 144.03 16.74 82.95 0.32 15.47 1.33 0.25 0.18 0.15 0.00 80.62 2.00 48 T E E 88.83 4.91 16.63 22.93 116.27 -126.41 -92.33 134.16 11.66 88.21 0.14 10.95 0.69 0.10 0.09 0.06 0.00 84.76 3.34 49 V C C 35.61 16.95 9.01 25.31 122.32 -159.39 -106.07 142.60 54.97 44.91 0.13 53.33 1.48 0.11 0.06 0.07 0.00 42.97 1.98 50 S C C 53.40 3.54 16.31 20.46 119.01 -113.24 -75.74 160.36 96.25 3.60 0.15 95.69 1.00 0.09 0.08 0.04 0.00 2.80 0.30 51 A H G 84.68 2.94 12.40 17.23 91.13 -104.98 -58.18 -35.22 22.43 0.18 77.39 1.78 2.52 17.13 26.99 51.37 0.01 0.10 0.09 52 A H G 88.37 0.91 15.11 14.73 90.81 59.45 -67.37 -24.34 22.31 0.12 77.57 1.03 1.76 18.71 23.72 54.62 0.01 0.07 0.08 53 D H G 45.89 11.43 11.36 23.89 96.54 48.57 -94.83 -3.63 18.72 0.29 80.98 4.54 2.33 11.37 22.52 58.94 0.01 0.18 0.11 54 N H H 52.79 12.82 11.50 24.95 92.57 92.15 -59.95 -41.90 2.05 0.01 97.95 0.77 0.21 0.92 96.95 1.15 0.00 0.00 0.00 55 S H H 76.39 1.24 18.12 17.67 91.70 51.80 -64.71 -39.40 0.89 0.01 99.10 0.12 0.06 0.62 98.09 1.11 0.00 0.01 0.00 56 R H H 124.85 3.01 16.98 20.23 91.92 49.81 -65.70 -40.80 0.43 0.02 99.56 0.06 0.04 0.29 98.62 0.97 0.00 0.02 0.00 57 I H H 33.12 14.69 12.03 27.38 92.20 50.49 -64.91 -41.98 0.43 0.01 99.56 0.07 0.04 0.29 98.96 0.64 0.00 0.01 0.00 58 N H H 84.32 5.78 14.82 21.81 91.52 52.43 -63.54 -39.39 2.48 0.02 97.50 0.24 0.15 2.00 95.68 1.91 0.01 0.01 0.00 59 K H H 148.12 1.01 15.68 15.48 92.66 51.91 -66.34 -36.54 10.97 0.02 89.01 0.41 0.36 10.24 86.00 2.95 0.01 0.01 0.01 60 L H H 92.02 5.35 12.66 19.32 93.95 51.68 -72.56 -29.76 19.18 0.07 80.75 1.40 1.26 16.10 78.40 2.73 0.03 0.03 0.05 61 L C H 83.61 8.44 9.31 18.67 99.53 60.45 -82.70 -9.24 51.97 2.46 45.57 16.66 10.74 26.17 41.21 2.66 0.16 0.92 1.48 62 N C C 126.42 1.67 11.71 14.15 102.83 -110.85 -54.96 25.44 87.89 1.15 10.96 50.72 2.46 33.81 10.63 1.23 0.00 0.61 0.55 63 G C C 51.20 3.60 12.45 17.67 109.98 -124.91 81.18 17.71 99.79 0.14 0.07 99.19 0.37 0.28 0.03 0.01 0.00 0.08 0.03