# 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 71.03 12.26 13.70 26.45 123.64 -166.03 -110.45 139.86 99.25 0.74 0.01 99.18 0.21 0.04 0.00 0.00 0.00 0.52 0.04 1 Q E B 98.79 5.43 13.17 20.34 123.70 -164.01 -114.06 142.08 11.70 88.14 0.16 10.46 0.41 0.04 0.17 0.02 0.00 19.87 69.03 2 N C C 61.61 8.22 8.91 18.58 121.97 -137.53 -87.98 172.87 87.22 12.47 0.31 86.26 1.25 0.44 0.09 0.15 0.00 9.15 2.64 3 D C T 128.87 1.16 10.42 12.30 92.80 -93.61 -68.25 -17.53 96.21 2.16 1.63 2.35 7.74 86.15 0.10 1.58 0.00 1.77 0.31 4 A C T 82.81 1.52 10.05 12.26 95.01 55.23 -87.78 -1.08 98.19 0.26 1.54 0.75 5.96 91.61 0.07 1.39 0.00 0.15 0.08 5 G C S 50.43 2.86 11.00 15.33 97.81 -102.75 84.95 6.08 98.01 1.14 0.85 11.98 81.54 4.71 0.07 0.67 0.00 0.64 0.39 6 E C C 105.79 3.76 11.00 16.82 119.27 133.53 -90.38 141.60 91.90 7.86 0.24 76.26 14.75 1.05 0.08 0.18 0.00 5.05 2.63 7 F E B 124.08 5.98 11.77 19.60 116.48 -132.43 -95.82 130.37 19.03 80.66 0.32 14.93 1.90 0.21 0.28 0.09 0.00 26.72 55.88 8 V C C 59.41 10.11 11.52 23.11 120.19 -165.61 -111.16 134.42 72.00 27.78 0.22 66.25 3.92 0.51 0.07 0.17 0.00 26.77 2.31 9 D C C 84.00 6.29 14.76 22.47 112.08 -138.30 -91.53 122.05 77.27 22.31 0.42 67.52 7.51 1.37 0.13 0.34 0.00 19.43 3.71 10 L C C 84.14 10.08 12.95 23.88 100.05 -164.60 -90.02 -2.75 79.78 19.23 0.99 44.40 28.76 7.63 0.25 0.88 0.00 14.50 3.59 11 Y C C 125.67 7.45 14.87 23.29 108.73 92.60 -95.23 90.07 75.61 23.64 0.75 38.15 32.90 5.99 0.21 0.68 0.00 15.86 6.21 12 V C C 68.46 8.98 13.26 23.61 116.50 121.58 -105.94 123.39 80.30 19.48 0.23 54.39 26.18 0.90 0.07 0.19 0.00 15.14 3.14 13 P C C 68.83 8.05 14.04 23.49 112.00 -115.07 -67.59 143.02 83.76 14.52 1.72 73.27 6.82 2.92 0.45 1.37 0.00 11.90 3.26 14 R C C 142.10 6.69 12.91 20.98 101.34 -137.48 -78.67 -14.29 76.58 12.91 10.51 38.46 25.89 13.20 2.39 7.86 0.06 7.98 4.15 15 K C C 136.55 3.39 14.85 19.42 109.82 67.89 -87.24 105.27 67.90 20.24 11.87 31.59 23.76 14.50 2.80 8.57 0.15 12.86 5.78 16 C C C 63.14 9.53 11.55 22.04 112.50 -130.72 -92.37 121.13 64.48 25.44 10.08 43.01 13.43 7.39 3.04 7.26 0.08 15.42 10.37 17 S C C 42.95 9.65 10.70 21.54 118.71 93.83 -99.75 150.36 71.82 23.51 4.67 56.56 9.12 4.28 2.21 2.62 0.02 11.93 13.27 18 A C T 87.19 2.79 13.35 17.17 95.89 -127.41 -73.10 -17.84 89.91 2.45 7.64 8.49 20.82 60.98 1.80 5.30 0.01 1.54 1.05 19 S C T 77.12 2.87 13.05 16.80 101.20 56.21 -91.21 -1.69 91.32 1.69 6.98 6.99 24.41 60.43 1.46 4.90 0.01 1.00 0.79 20 N C S 92.33 7.67 11.19 19.96 103.81 -119.69 -88.50 41.35 88.85 6.01 5.14 35.35 41.80 12.01 1.13 3.81 0.01 3.18 2.71 21 R C C 142.50 4.40 13.75 19.81 113.78 -128.25 -99.84 123.94 84.46 13.77 1.77 65.34 14.04 4.46 0.60 1.31 0.00 8.93 5.32 22 I C C 93.06 8.26 12.00 21.45 113.54 -128.82 -92.02 123.96 67.38 31.30 1.32 54.87 9.68 2.00 0.65 0.80 0.01 17.32 14.67 23 I C C 82.17 7.93 11.46 20.87 119.00 151.42 -108.00 133.65 69.62 28.73 1.66 50.98 14.60 2.96 0.89 1.01 0.03 18.82 10.72 24 G C C 37.31 5.04 12.57 18.97 123.55 -152.18 -100.85 166.73 78.16 17.87 3.97 50.69 19.73 8.08 1.41 2.64 0.03 10.43 7.00 25 A C T 82.53 3.56 10.79 15.94 97.47 -87.27 -67.29 -24.00 81.23 2.48 16.29 9.76 21.85 50.20 2.88 12.54 0.03 1.38 1.35 26 K C T 164.59 1.17 13.40 14.26 99.18 43.85 -84.78 -3.22 82.05 2.24 15.71 8.15 20.20 53.96 2.48 12.68 0.03 1.28 1.22 27 D C S 83.97 6.28 11.80 19.35 110.78 36.37 -103.31 88.34 70.68 13.02 16.30 23.52 25.91 23.30 3.27 11.39 0.20 6.62 5.79 28 H C C 98.29 8.64 12.81 22.42 113.22 112.39 -93.82 121.47 70.90 19.51 9.59 44.19 14.03 12.63 2.92 6.66 0.06 10.92 8.59 29 A C C 49.91 9.95 14.56 25.34 104.41 -143.33 -83.47 19.65 77.58 14.96 7.46 43.11 22.24 13.38 1.48 5.86 0.02 11.27 2.64 30 S C C 50.24 9.75 16.68 26.99 120.61 58.75 -102.61 139.51 59.79 35.09 5.12 39.19 13.59 7.75 0.90 4.05 0.01 32.81 1.68 31 I E E 57.22 12.89 15.98 29.58 121.46 -161.07 -114.56 133.55 18.26 81.34 0.40 15.88 2.14 0.36 0.14 0.26 0.00 79.97 1.26 32 Q E E 89.11 9.42 17.91 28.20 120.59 -154.72 -109.64 131.51 5.90 94.05 0.06 5.55 0.33 0.04 0.03 0.03 0.00 92.91 1.11 33 M E E 58.07 14.04 15.54 30.04 124.97 -170.79 -119.77 138.24 11.38 88.58 0.03 10.68 0.53 0.05 0.01 0.02 0.00 88.15 0.56 34 N E E 77.10 8.19 18.92 28.01 113.02 -133.53 -88.68 121.97 14.70 85.27 0.03 13.46 0.87 0.07 0.01 0.02 0.00 85.02 0.55 35 V E E 44.65 14.61 15.80 30.59 104.30 176.04 -102.34 -13.24 14.02 85.86 0.11 12.05 1.72 0.20 0.03 0.08 0.00 85.13 0.79 36 A E E 27.93 12.04 16.15 29.21 136.24 11.45 -142.87 157.79 10.44 89.50 0.06 8.55 1.62 0.14 0.02 0.04 0.00 89.34 0.29 37 E E E 107.55 5.17 19.68 25.59 116.90 -123.29 -92.75 134.78 4.75 95.22 0.03 3.96 0.63 0.07 0.01 0.02 0.00 95.12 0.19 38 V E E 46.51 13.97 10.13 24.61 121.11 -153.59 -109.53 134.55 3.88 96.09 0.03 3.49 0.35 0.02 0.02 0.01 0.00 87.82 8.27 39 D C C 65.02 4.72 12.30 19.21 108.17 -123.00 -79.39 119.66 82.89 17.09 0.03 83.43 0.47 0.07 0.01 0.01 0.00 15.34 0.67 40 K C T 151.22 3.03 10.40 15.68 92.89 -154.87 -66.43 -26.50 99.70 0.08 0.22 0.21 3.05 96.50 0.01 0.17 0.00 0.05 0.01 41 V C T 131.68 0.47 12.03 10.92 97.71 46.55 -77.40 -38.88 99.71 0.06 0.22 0.11 2.50 97.18 0.00 0.16 0.00 0.03 0.01 42 T C T 89.06 1.60 12.21 13.83 99.92 23.17 -103.78 -15.25 99.80 0.05 0.15 0.43 2.92 96.49 0.01 0.12 0.00 0.03 0.01 43 G C C 34.17 8.34 10.08 20.17 95.24 -122.41 76.62 9.09 99.31 0.46 0.23 74.32 7.98 17.03 0.05 0.16 0.00 0.32 0.14 44 R C C 127.01 3.01 15.88 20.06 119.88 137.94 -86.11 145.59 72.35 27.56 0.08 64.40 7.64 0.34 0.03 0.07 0.00 21.79 5.74 45 F E E 84.60 13.39 9.81 23.39 112.62 -111.00 -75.52 131.03 3.39 96.59 0.02 2.98 0.18 0.01 0.02 0.00 0.00 71.36 25.43 46 N E E 92.30 4.53 15.28 20.92 102.02 -169.77 -95.62 2.85 34.80 65.08 0.12 28.39 4.55 0.66 0.01 0.12 0.00 65.78 0.48 47 G E E 49.98 3.87 14.30 19.37 98.07 -100.83 83.34 2.08 45.10 54.63 0.27 11.54 29.29 3.74 0.01 0.30 0.00 54.76 0.36 48 Q E E 107.21 4.25 15.80 21.35 116.86 103.14 -98.59 131.23 38.00 61.63 0.38 24.16 10.48 2.39 0.03 0.38 0.00 62.21 0.35 49 F E E 88.53 14.31 12.04 26.14 125.05 -166.29 -121.44 142.02 18.15 81.80 0.05 15.28 2.13 0.13 0.01 0.04 0.00 82.11 0.31 50 K E E 93.84 8.26 19.48 28.53 127.00 -170.67 -125.25 141.01 2.44 97.56 0.00 2.28 0.09 0.00 0.00 0.00 0.00 97.56 0.07 51 T E E 55.20 14.60 17.82 32.19 121.70 -141.02 -103.51 136.86 1.26 98.74 0.00 1.20 0.02 0.00 0.00 0.00 0.00 98.74 0.04 52 Y E E 36.72 16.70 20.40 37.25 131.48 -174.85 -133.74 148.84 2.09 97.91 0.00 1.90 0.07 0.00 0.00 0.00 0.00 97.93 0.09 53 A E E 25.20 15.87 24.17 39.84 118.71 -138.36 -103.10 134.42 5.55 94.44 0.01 5.08 0.25 0.01 0.00 0.00 0.00 94.49 0.17 54 I E E 9.90 22.50 20.70 43.05 123.86 -167.33 -117.34 139.21 16.33 83.64 0.03 15.94 0.41 0.03 0.02 0.01 0.00 81.02 2.57 55 C C C 20.57 15.07 21.31 36.66 119.96 -120.78 -79.61 157.53 75.09 24.68 0.23 75.01 1.05 0.09 0.15 0.05 0.00 22.45 1.19 56 G H H 27.35 10.26 20.37 31.44 92.78 -112.49 -58.99 -38.06 5.64 0.03 94.33 0.62 1.06 3.93 92.25 2.09 0.02 0.02 0.01 57 A H H 48.31 5.58 22.12 28.26 91.51 54.05 -64.15 -37.97 1.92 0.01 98.06 0.18 0.20 1.48 95.86 2.25 0.01 0.01 0.00 58 I H H 14.58 18.80 15.24 34.27 92.31 50.57 -66.70 -40.94 1.01 0.01 98.98 0.16 0.11 0.68 95.87 3.18 0.00 0.01 0.00 59 R H H 80.40 15.07 14.94 29.58 91.67 53.17 -63.29 -40.73 1.93 0.02 98.05 0.30 0.17 1.34 95.28 2.88 0.01 0.01 0.00 60 R H H 171.75 1.69 17.97 19.55 91.04 53.33 -66.71 -30.34 14.81 0.04 85.15 0.58 0.72 13.88 82.12 2.61 0.04 0.02 0.03 61 M C T 108.37 4.57 15.51 21.03 93.55 52.57 -86.62 -3.94 66.87 0.09 33.04 0.83 2.45 62.84 32.12 1.63 0.02 0.03 0.09 62 G C T 46.39 4.93 17.02 23.00 97.35 -107.33 83.55 9.05 99.05 0.20 0.75 6.13 7.43 85.61 0.49 0.18 0.00 0.09 0.08 63 E C C 74.71 11.19 16.91 28.62 101.64 117.68 -95.89 27.75 97.55 0.72 1.73 91.04 4.61 2.00 1.17 0.39 0.00 0.27 0.52 64 S C C 25.21 18.44 16.58 34.05 97.91 110.54 -70.92 -40.43 72.93 0.67 26.40 58.44 7.88 5.05 26.39 1.60 0.00 0.21 0.44 65 D H H 66.65 12.99 21.20 33.33 92.80 53.83 -65.81 -38.94 13.81 0.10 86.09 3.64 3.11 7.41 83.42 2.30 0.03 0.03 0.06 66 D H H 75.14 4.67 24.76 29.36 92.35 51.07 -66.46 -39.74 5.45 0.03 94.52 1.44 0.72 3.11 92.44 2.26 0.01 0.01 0.01 67 S H H 13.38 15.90 20.51 36.81 92.01 51.18 -64.28 -43.02 2.51 0.02 97.47 0.85 0.32 1.29 95.88 1.64 0.00 0.01 0.01 68 I H H 9.13 23.45 20.75 43.48 91.79 49.54 -64.18 -43.02 0.69 0.00 99.30 0.14 0.07 0.41 99.10 0.28 0.00 0.00 0.00 69 L H H 54.57 11.67 23.01 34.76 91.57 50.38 -63.34 -42.29 0.30 0.00 99.70 0.05 0.02 0.17 99.66 0.09 0.00 0.00 0.00 70 R H H 111.89 4.46 25.26 29.58 91.54 50.12 -63.92 -42.42 0.25 0.00 99.75 0.03 0.02 0.16 99.72 0.07 0.00 0.00 0.00 71 L H H 19.06 16.24 20.00 36.75 91.78 49.38 -64.05 -43.37 0.15 0.00 99.85 0.02 0.01 0.10 99.82 0.05 0.00 0.00 0.00 72 A H H 7.64 18.20 16.09 35.11 91.65 50.07 -63.25 -43.19 0.18 0.00 99.82 0.02 0.01 0.12 99.78 0.07 0.00 0.00 0.00 73 K H H 118.04 4.16 18.58 23.62 91.95 48.90 -63.87 -41.52 0.36 0.00 99.64 0.02 0.01 0.29 99.50 0.18 0.00 0.00 0.00 74 A H H 72.56 3.81 17.16 21.78 91.32 51.89 -65.59 -32.92 2.63 0.00 97.37 0.04 0.05 2.70 96.97 0.24 0.00 0.00 0.00 75 D C T 66.50 9.25 13.55 23.99 93.15 48.45 -89.43 0.40 78.15 0.02 21.84 0.20 0.63 76.48 22.33 0.34 0.00 0.00 0.01 76 G C T 56.68 2.06 17.39 19.63 94.24 -115.15 76.06 15.70 99.80 0.01 0.19 0.46 1.35 98.09 0.08 0.02 0.00 0.00 0.00 77 I C S 54.91 12.19 14.74 27.80 97.29 121.14 -85.25 -24.81 98.79 1.03 0.18 16.55 80.35 2.12 0.09 0.07 0.00 0.43 0.39 78 V C S 28.45 17.21 11.35 28.47 129.71 34.38 -129.07 144.84 87.95 11.60 0.44 15.11 71.69 2.27 0.18 0.20 0.00 4.83 5.71 79 S C C 53.34 5.52 15.32 22.20 116.40 -107.52 -72.12 150.99 92.96 5.96 1.08 84.85 6.21 1.94 0.23 0.88 0.00 4.29 1.61 80 K C S 148.05 4.55 12.02 18.53 95.27 -116.93 -67.55 -20.40 95.34 2.77 1.90 31.26 35.50 28.58 0.24 1.93 0.00 1.70 0.80 81 N C C 122.62 1.67 13.31 15.42 101.78 64.19 -89.99 40.95 97.26 1.52 1.22 64.64 6.76 25.77 0.19 1.12 0.00 1.04 0.47 82 F C C 88.82 12.37 9.93 22.26 105.51 145.69 -84.73 54.93 99.75 0.24 0.01 99.67 0.14 0.03 0.00 0.00 0.00 0.13 0.03