# 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 74.74 11.67 13.54 25.80 123.12 -165.51 -109.09 139.99 99.27 0.72 0.01 99.24 0.19 0.04 0.00 0.00 0.00 0.48 0.04 1 Q E B 99.72 5.40 12.71 19.85 123.00 -162.67 -113.22 141.99 16.42 83.28 0.30 14.33 0.64 0.08 0.30 0.05 0.00 19.38 65.22 2 N C C 66.32 7.75 8.93 18.12 121.04 -140.44 -88.70 169.99 85.40 13.97 0.63 82.20 2.24 1.01 0.20 0.36 0.00 10.80 3.19 3 D C T 128.28 1.17 10.30 12.17 94.30 -89.01 -69.42 -17.11 93.86 3.32 2.83 3.83 9.79 80.20 0.21 2.76 0.00 2.68 0.53 4 A C T 82.37 1.61 10.02 12.38 95.29 55.09 -87.49 -0.44 96.82 0.44 2.74 1.31 7.56 88.01 0.15 2.56 0.00 0.27 0.15 5 G C S 50.25 3.03 10.93 15.47 98.28 -103.23 84.43 6.25 96.62 1.79 1.59 13.77 75.66 7.37 0.15 1.35 0.00 1.09 0.63 6 E C C 104.85 4.00 11.01 17.06 119.30 133.59 -90.64 142.15 90.64 8.94 0.42 71.54 17.44 1.74 0.14 0.33 0.00 5.80 3.00 7 F E B 123.02 6.15 11.80 19.77 116.89 -135.00 -97.84 131.48 27.30 72.15 0.55 20.97 3.68 0.45 0.43 0.21 0.01 26.01 48.24 8 V C C 60.73 10.00 11.68 23.14 121.41 -164.67 -112.48 134.80 71.90 27.73 0.36 64.58 5.17 0.80 0.13 0.26 0.00 26.06 3.01 9 D C C 82.40 6.57 14.59 22.55 112.28 -133.79 -90.42 121.87 78.34 21.07 0.59 67.63 8.12 1.76 0.19 0.46 0.00 18.19 3.65 10 L C C 86.40 9.80 12.90 23.59 101.08 -165.23 -88.33 -1.88 81.63 17.09 1.29 40.51 32.05 10.26 0.32 1.06 0.00 12.71 3.08 11 Y C S 130.28 6.85 15.13 22.95 106.79 88.01 -92.74 66.69 76.71 22.30 0.98 34.04 35.59 8.56 0.26 0.84 0.01 15.31 5.39 12 V C C 63.35 9.68 12.86 23.89 115.91 119.19 -104.23 120.14 80.30 19.31 0.39 49.20 31.10 1.26 0.14 0.28 0.00 14.65 3.37 13 P C C 67.14 7.97 14.63 23.95 110.42 -118.29 -67.56 141.76 80.20 15.35 4.45 67.98 7.07 4.22 1.25 3.39 0.00 12.28 3.82 14 R C C 136.26 7.82 13.32 22.15 99.84 -132.89 -73.53 -17.84 67.38 12.13 20.49 30.84 21.98 16.71 3.86 15.47 0.08 7.71 3.34 15 K C C 133.44 3.67 15.65 20.40 101.75 66.34 -81.56 -4.07 58.54 20.28 21.18 25.00 19.75 17.35 4.38 15.01 0.26 13.42 4.84 16 C C C 60.34 9.68 12.41 23.03 108.44 54.46 -92.47 57.17 57.51 25.83 16.66 35.41 13.43 9.17 4.38 12.08 0.18 16.28 9.07 17 S C C 38.73 10.78 11.10 22.93 119.38 95.59 -101.31 145.47 70.01 26.20 3.79 54.86 9.45 3.66 1.90 2.07 0.02 13.08 14.97 18 A C T 85.10 3.28 14.08 18.38 95.89 -131.84 -73.23 -16.89 91.57 2.79 5.65 9.02 22.30 60.61 1.34 3.86 0.01 1.81 1.06 19 S C T 75.36 3.29 13.91 18.04 101.07 57.47 -91.62 1.68 93.00 1.90 5.10 7.34 26.66 59.47 1.01 3.59 0.00 1.17 0.76 20 N C S 87.95 8.78 11.55 21.18 103.49 -118.80 -95.63 44.29 90.14 6.02 3.84 37.54 42.31 10.60 0.85 2.89 0.00 3.38 2.42 21 R C C 140.18 4.75 14.49 20.86 115.32 -128.08 -102.45 127.43 83.35 15.13 1.52 65.74 13.09 3.82 0.52 1.13 0.00 10.40 5.30 22 I C C 90.37 8.75 12.75 22.61 113.55 -134.55 -92.45 123.05 63.17 35.55 1.27 53.02 7.50 1.55 0.67 0.73 0.01 19.99 16.52 23 I C C 77.47 8.89 11.78 22.00 118.47 -160.41 -107.72 130.57 67.29 30.78 1.93 48.85 13.84 3.31 1.04 1.18 0.04 21.50 10.25 24 G C C 35.87 5.28 13.09 19.68 124.61 -156.81 -104.73 167.07 76.94 19.05 4.01 48.59 20.12 8.83 1.42 2.66 0.03 11.80 6.54 25 A C T 81.13 3.85 11.00 16.47 96.99 -91.09 -66.88 -24.03 82.47 2.97 14.56 11.11 24.39 47.85 2.95 10.53 0.03 1.70 1.45 26 K C T 162.88 1.22 13.49 14.51 99.18 48.45 -85.01 -6.56 83.10 2.98 13.92 9.46 22.53 51.66 2.48 10.64 0.03 1.75 1.44 27 D C S 81.26 6.58 11.85 19.71 108.06 57.08 -100.03 55.75 70.81 14.90 14.29 25.17 25.40 22.37 3.08 9.77 0.20 7.85 6.15 28 H C C 97.69 8.92 12.82 22.61 111.05 -146.38 -95.69 116.97 69.87 19.33 10.80 41.40 14.24 14.42 3.05 7.61 0.08 11.37 7.83 29 A C C 50.59 9.65 14.61 25.11 104.17 -142.00 -79.81 19.26 76.50 14.66 8.83 39.99 22.38 15.53 1.65 6.94 0.02 10.93 2.55 30 S C C 50.73 9.94 16.05 26.60 119.74 96.48 -102.62 137.75 60.82 33.37 5.81 38.42 14.76 8.57 1.03 4.57 0.01 30.90 1.74 31 I E E 62.44 11.71 16.04 28.67 121.91 -162.90 -115.03 133.23 20.26 79.27 0.47 17.40 2.56 0.43 0.16 0.31 0.00 77.74 1.40 32 Q E E 91.40 9.73 16.90 27.51 121.04 -157.34 -109.06 133.05 7.40 92.54 0.06 6.97 0.38 0.05 0.04 0.03 0.00 91.13 1.40 33 M E E 62.65 12.96 15.47 29.17 125.34 -170.27 -121.29 138.42 12.85 87.11 0.04 12.14 0.53 0.05 0.02 0.02 0.00 86.55 0.70 34 N E E 81.48 7.82 18.29 27.07 112.02 -130.90 -86.94 121.85 15.55 84.42 0.03 14.23 0.94 0.07 0.01 0.02 0.00 84.11 0.61 35 V E E 46.71 14.06 15.45 29.82 104.46 176.40 -102.23 -14.24 14.63 85.27 0.11 12.53 1.83 0.20 0.03 0.08 0.00 84.55 0.77 36 A E E 28.63 11.90 15.71 28.69 135.11 7.57 -139.24 157.31 10.24 89.70 0.06 8.54 1.39 0.13 0.02 0.04 0.00 89.60 0.28 37 E E E 110.19 4.86 19.27 24.93 116.71 -122.83 -93.77 135.07 4.98 94.99 0.03 4.19 0.62 0.07 0.00 0.02 0.00 94.90 0.19 38 V E E 48.16 13.58 9.98 24.14 120.63 -153.52 -109.71 134.29 4.28 95.70 0.03 3.87 0.37 0.02 0.02 0.01 0.00 86.85 8.86 39 D C C 65.42 4.65 12.15 18.99 108.16 -122.40 -78.78 120.14 85.05 14.93 0.02 85.68 0.43 0.07 0.01 0.01 0.00 13.20 0.60 40 K C T 151.52 2.95 10.26 15.47 92.88 -154.49 -66.30 -26.62 99.72 0.08 0.20 0.22 3.07 96.49 0.01 0.15 0.00 0.04 0.01 41 V C T 131.73 0.47 11.93 10.86 97.94 46.80 -77.36 -38.86 99.73 0.06 0.21 0.11 2.49 97.21 0.00 0.15 0.00 0.03 0.02 42 T C T 89.49 1.57 12.16 13.72 100.12 23.02 -103.60 -15.19 99.81 0.05 0.14 0.42 2.94 96.49 0.01 0.11 0.00 0.02 0.01 43 G C C 33.87 8.35 9.98 20.09 95.27 -122.31 77.26 8.55 99.34 0.46 0.21 76.86 7.90 14.58 0.05 0.15 0.00 0.32 0.14 44 R C C 127.69 2.97 15.73 19.86 119.64 138.03 -85.95 145.13 72.89 27.04 0.07 65.66 7.10 0.28 0.03 0.06 0.00 21.13 5.74 45 F E E 85.63 13.11 9.78 23.17 112.09 -110.81 -75.50 131.31 3.30 96.69 0.02 2.91 0.17 0.01 0.02 0.00 0.00 71.47 25.40 46 N E E 93.22 4.43 15.19 20.73 101.95 -169.85 -95.33 3.37 34.67 65.22 0.11 28.23 4.57 0.66 0.01 0.11 0.00 65.94 0.46 47 G E E 50.40 3.71 14.22 19.11 98.11 -100.30 83.66 1.75 45.04 54.72 0.23 11.32 29.58 3.50 0.01 0.25 0.00 55.00 0.34 48 Q E E 106.63 4.19 15.80 21.29 117.67 102.20 -98.93 133.48 37.20 62.48 0.33 24.05 10.01 2.07 0.03 0.32 0.00 63.19 0.32 49 F E E 89.68 14.29 12.08 26.14 125.71 -164.03 -120.84 141.74 16.80 83.16 0.04 14.19 1.89 0.10 0.01 0.03 0.00 83.52 0.27 50 K E E 91.52 8.47 19.38 28.64 127.15 -171.07 -124.93 141.25 2.03 97.97 0.00 1.88 0.07 0.00 0.00 0.00 0.00 97.99 0.06 51 T E E 55.65 14.18 18.11 32.14 121.24 -138.74 -102.76 136.71 1.04 98.96 0.00 0.98 0.02 0.00 0.00 0.00 0.00 98.97 0.02 52 Y E E 33.36 17.16 20.13 37.44 131.61 -175.01 -133.75 148.63 1.75 98.25 0.00 1.59 0.06 0.00 0.00 0.00 0.00 98.28 0.07 53 A E E 23.64 15.78 24.40 40.09 118.98 -136.86 -102.88 134.63 4.41 95.58 0.00 4.03 0.19 0.01 0.00 0.00 0.00 95.65 0.12 54 I E E 9.54 22.68 20.94 43.45 123.20 -163.59 -114.43 137.85 13.96 86.01 0.03 13.72 0.33 0.02 0.01 0.01 0.00 83.77 2.13 55 C C C 19.50 15.68 21.40 37.21 121.93 -128.51 -84.95 158.75 72.67 27.05 0.28 72.65 1.01 0.10 0.20 0.06 0.00 24.76 1.23 56 G H H 27.23 10.10 21.01 31.81 93.13 -109.58 -58.61 -40.78 6.31 0.04 93.65 0.67 1.17 4.49 91.04 2.56 0.03 0.02 0.01 57 A H H 46.34 6.03 22.19 28.87 91.58 52.86 -64.27 -37.74 2.18 0.02 97.81 0.21 0.23 1.69 95.10 2.75 0.01 0.01 0.00 58 I H H 12.89 19.57 15.23 34.97 92.16 50.84 -66.60 -41.01 1.15 0.02 98.84 0.18 0.13 0.77 95.03 3.88 0.00 0.01 0.00 59 R H H 82.35 14.85 15.25 29.69 91.49 53.61 -63.05 -40.45 2.27 0.03 97.70 0.35 0.22 1.58 94.22 3.60 0.01 0.02 0.01 60 R H H 171.57 1.68 18.17 19.71 91.02 53.64 -66.66 -30.36 16.00 0.05 83.94 0.67 0.85 14.83 80.35 3.20 0.05 0.02 0.03 61 M C T 106.09 4.97 15.54 21.49 93.74 52.39 -86.61 -4.17 65.63 0.10 34.27 0.91 2.71 61.33 32.99 1.90 0.02 0.03 0.10 62 G C T 45.65 5.01 17.24 23.33 97.58 -108.55 84.03 8.85 98.96 0.25 0.79 6.91 8.12 84.06 0.50 0.20 0.00 0.11 0.09 63 E C C 73.76 11.40 16.95 28.81 101.14 118.41 -95.51 26.71 97.61 0.76 1.63 91.39 4.43 1.89 1.08 0.37 0.00 0.29 0.54 64 S C C 24.98 18.56 16.17 33.85 97.03 110.02 -69.69 -40.18 75.17 0.70 24.13 61.07 7.65 4.68 24.57 1.37 0.00 0.22 0.44 65 D H H 69.88 11.85 21.34 32.62 92.60 54.36 -65.70 -38.90 12.91 0.09 87.00 3.82 3.01 6.26 85.48 1.34 0.02 0.03 0.05 66 D H H 74.73 4.54 24.55 28.98 92.37 51.61 -66.01 -40.09 3.91 0.01 96.07 1.11 0.51 2.09 95.30 0.97 0.00 0.01 0.01 67 S H H 13.23 16.08 20.18 36.67 91.98 51.21 -64.24 -43.21 1.33 0.01 98.66 0.47 0.16 0.64 98.03 0.69 0.00 0.00 0.00 68 I H H 12.38 22.43 20.61 42.21 91.86 49.32 -64.20 -42.94 0.34 0.00 99.66 0.07 0.03 0.19 99.56 0.15 0.00 0.00 0.00 69 L H H 59.16 10.81 22.96 33.93 91.56 50.25 -63.56 -42.17 0.21 0.00 99.79 0.03 0.01 0.12 99.77 0.07 0.00 0.00 0.00 70 R H H 110.10 4.70 24.84 29.44 91.62 50.00 -63.88 -42.37 0.25 0.00 99.75 0.03 0.02 0.16 99.73 0.07 0.00 0.00 0.00 71 L H H 19.69 16.00 19.70 36.28 91.81 49.36 -64.00 -43.31 0.20 0.00 99.79 0.02 0.01 0.14 99.76 0.07 0.00 0.00 0.00 72 A H H 8.80 17.37 16.01 34.28 91.77 50.03 -63.53 -42.93 0.29 0.00 99.71 0.04 0.02 0.19 99.64 0.11 0.00 0.00 0.00 73 K H H 117.74 4.10 18.31 23.27 92.05 49.03 -64.18 -41.43 0.54 0.00 99.45 0.04 0.02 0.43 99.19 0.32 0.00 0.00 0.00 74 S H H 76.03 3.38 17.15 21.23 91.42 51.51 -65.98 -32.25 3.29 0.00 96.71 0.06 0.07 3.37 96.14 0.36 0.00 0.00 0.00 75 D C T 67.14 9.04 13.52 23.79 93.22 48.27 -89.56 0.36 78.36 0.02 21.62 0.20 0.68 76.89 21.80 0.41 0.00 0.00 0.01 76 G C T 56.72 2.04 17.38 19.62 94.19 -115.10 76.43 15.86 99.79 0.01 0.20 0.48 1.45 97.95 0.09 0.02 0.00 0.00 0.00 77 I C S 53.73 12.28 14.73 27.90 97.03 121.50 -85.62 -25.15 98.82 0.97 0.20 16.67 80.52 1.86 0.10 0.07 0.00 0.39 0.38 78 V C S 26.80 17.46 11.27 28.63 130.27 34.40 -129.60 146.99 87.91 11.54 0.55 15.59 70.99 2.33 0.23 0.25 0.00 4.83 5.77 79 S C C 52.30 5.37 15.49 22.22 116.44 -107.18 -72.85 151.96 92.24 6.00 1.77 84.17 5.71 2.31 0.32 1.51 0.00 4.35 1.62 80 Q C T 133.81 4.43 12.02 18.44 94.59 -114.94 -65.79 -21.81 94.33 2.61 3.06 24.26 31.72 38.27 0.35 3.06 0.00 1.62 0.73 81 N C C 123.92 1.54 13.62 15.41 100.56 63.53 -88.50 25.86 96.67 1.45 1.88 55.66 6.58 34.33 0.28 1.72 0.00 1.02 0.42 82 F C C 83.47 13.17 9.86 22.76 106.01 134.97 -82.42 68.09 99.74 0.24 0.01 99.66 0.14 0.03 0.00 0.00 0.00 0.13 0.03