# 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 118.77 4.34 11.35 17.50 120.30 -171.14 -109.35 139.68 99.90 0.09 0.01 99.88 0.05 0.02 0.00 0.00 0.00 0.04 0.01 1 A C C 77.90 3.38 9.18 14.47 115.56 -128.02 -87.70 139.07 86.96 8.80 4.24 82.13 1.46 3.97 1.87 1.62 0.00 6.56 2.39 2 Y C C 153.08 3.86 7.79 13.62 116.33 -151.06 -101.72 133.02 79.28 15.57 5.15 59.34 11.62 7.87 2.06 3.13 0.00 12.00 3.98 3 R C C 170.08 2.06 8.70 12.49 114.37 -163.78 -101.40 128.61 78.71 15.29 6.00 54.38 14.46 9.87 2.70 3.28 0.01 11.27 4.03 4 G C C 51.05 2.61 8.81 13.02 115.45 58.60 -43.15 -170.75 84.19 6.81 9.00 43.64 25.88 15.46 4.77 4.01 0.01 4.50 1.74 5 Q C C 147.39 1.28 9.54 11.57 104.24 -57.60 -82.10 46.24 78.28 2.28 19.43 29.05 22.03 27.79 12.51 6.41 0.02 1.21 0.97 6 G C C 51.98 2.70 8.76 13.02 107.23 37.93 -3.76 -21.73 73.40 2.16 24.44 31.07 20.23 22.60 16.87 7.18 0.02 1.15 0.88 7 Q C C 127.22 2.71 9.05 13.35 108.18 60.25 -86.34 100.55 58.75 4.24 37.01 38.99 11.33 8.68 30.47 6.62 0.02 2.71 1.18 8 K H H 143.85 2.34 9.51 13.33 108.89 -145.49 -90.55 110.70 44.81 9.07 46.12 31.31 7.82 6.89 39.34 6.00 0.06 6.85 1.72 9 V H H 98.02 4.10 8.64 14.53 112.36 -146.87 -92.10 128.11 38.22 9.48 52.30 27.91 5.71 5.70 45.45 5.86 0.03 7.98 1.35 10 Q H H 121.29 3.31 9.56 14.70 113.89 -156.02 -96.83 132.61 38.89 9.05 52.05 28.16 5.57 5.90 45.76 5.55 0.03 7.86 1.18 11 K H H 142.86 2.86 10.48 15.06 113.47 -144.75 -94.81 128.54 40.06 9.41 50.53 27.15 6.47 7.11 44.14 5.68 0.04 8.10 1.30 12 V H H 95.54 4.88 9.56 16.24 114.23 -152.93 -95.25 131.21 42.65 10.00 47.35 28.61 6.94 7.34 42.48 4.78 0.04 8.40 1.41 13 M C H 122.33 3.92 11.17 16.80 111.66 -146.97 -93.35 124.39 51.13 10.50 38.37 33.64 8.56 8.58 35.16 4.08 0.05 8.18 1.75 14 V C C 82.44 7.12 11.45 20.08 114.04 -166.30 -100.59 123.99 61.27 7.71 31.02 39.52 13.11 7.93 29.77 2.88 0.04 4.91 1.84 15 Q C C 92.28 5.93 14.71 21.93 115.84 -142.49 -88.05 133.79 75.72 1.92 22.36 55.35 13.56 3.76 24.68 1.17 0.00 1.00 0.49 16 P H H 58.18 10.72 14.52 26.05 95.93 -118.38 -61.91 -37.00 34.54 0.94 64.52 21.56 4.37 7.75 63.89 1.67 0.00 0.52 0.24 17 I H H 71.28 10.49 15.52 26.59 93.62 54.71 -65.37 -37.74 12.90 0.52 86.58 6.52 1.88 4.76 84.68 1.69 0.01 0.32 0.14 18 N H H 80.61 3.99 18.64 23.02 92.44 53.83 -65.38 -38.68 6.54 0.45 93.01 3.80 0.87 2.24 91.15 1.53 0.01 0.34 0.08 19 L H H 46.57 9.85 17.31 28.49 92.36 51.81 -64.73 -41.63 2.91 0.55 96.55 1.51 0.36 1.14 95.41 1.00 0.00 0.52 0.04 20 I H H 26.29 18.02 15.83 33.70 92.06 50.61 -64.05 -42.36 1.96 0.58 97.46 0.96 0.24 0.83 96.63 0.71 0.00 0.59 0.03 21 F H H 93.96 6.86 18.83 26.48 91.71 51.34 -63.32 -41.34 1.77 0.51 97.72 0.84 0.19 0.76 96.75 0.87 0.00 0.55 0.03 22 R H H 123.28 3.03 20.19 22.96 91.92 50.77 -64.63 -41.47 2.47 0.47 97.07 0.92 0.27 1.30 95.80 1.17 0.01 0.51 0.03 23 Y H H 44.46 13.45 15.35 29.74 92.43 48.64 -66.37 -40.49 3.92 0.43 95.65 1.18 0.43 2.31 94.18 1.40 0.01 0.43 0.04 24 L H H 46.93 15.00 14.17 29.13 92.59 51.47 -66.19 -38.02 8.91 0.35 90.74 2.13 0.98 5.74 89.18 1.59 0.03 0.27 0.08 25 Q H H 124.19 2.54 17.18 20.03 93.16 53.32 -69.33 -27.29 24.30 0.22 75.49 2.70 1.97 19.11 74.41 1.58 0.03 0.11 0.09 26 N C H 93.13 4.26 16.04 21.02 97.21 46.16 -92.47 -1.15 57.96 0.44 41.60 9.95 9.12 37.43 41.22 1.84 0.02 0.16 0.25 27 R C C 136.46 8.50 15.50 24.94 97.22 -131.37 55.31 35.97 92.95 2.70 4.35 46.51 18.93 27.95 2.59 1.49 0.00 1.98 0.54 28 S C C 38.13 10.76 16.57 28.32 116.30 145.75 -93.07 150.57 90.74 8.19 1.07 53.64 32.97 3.94 0.24 0.75 0.00 8.00 0.46 29 R E E 103.03 9.95 21.62 31.53 119.78 -109.87 -98.48 135.09 34.44 64.79 0.76 28.23 3.92 1.22 0.15 0.51 0.00 65.58 0.40 30 I E E 8.52 23.39 16.77 40.57 124.55 -164.30 -119.40 135.97 5.55 94.39 0.06 5.24 0.24 0.03 0.02 0.02 0.00 94.34 0.12 31 Q E E 47.06 11.36 26.05 38.02 119.88 -157.95 -109.78 129.57 0.83 99.14 0.03 0.76 0.03 0.00 0.01 0.01 0.00 99.16 0.02 32 V E E 4.82 24.62 19.34 44.44 121.53 -166.50 -116.02 129.84 0.60 99.38 0.02 0.55 0.02 0.00 0.01 0.01 0.00 99.40 0.01 33 W E E 61.60 11.10 24.99 36.85 121.02 -163.12 -111.86 131.51 1.59 98.35 0.06 1.42 0.08 0.02 0.02 0.02 0.00 98.40 0.04 34 L E E 14.41 19.91 16.29 36.58 115.91 -153.68 -97.95 130.00 11.03 88.62 0.36 9.49 1.10 0.26 0.11 0.17 0.00 88.56 0.31 35 Y C E 85.52 10.11 17.83 28.88 105.03 -154.70 -86.31 30.09 50.65 36.12 13.23 23.72 16.18 14.25 3.20 8.36 0.10 32.50 1.68 36 E C T 104.56 6.31 15.97 23.06 103.46 58.49 -82.36 -22.51 66.79 5.40 27.80 14.86 19.66 34.13 5.63 20.28 0.12 3.85 1.47 37 Q C T 112.31 4.31 14.95 20.20 104.35 20.82 -96.14 26.64 72.02 2.16 25.82 16.87 16.17 39.66 4.89 20.20 0.03 1.33 0.85 38 V C T 72.83 8.10 13.15 22.43 107.05 29.89 -96.52 76.42 80.85 3.79 15.36 19.22 17.25 45.04 3.37 11.35 0.02 2.69 1.05 39 N C T 96.91 5.77 17.40 23.97 98.66 -121.86 31.41 45.02 85.20 12.87 1.93 29.04 14.02 41.55 0.23 1.66 0.00 12.96 0.53 40 M E E 36.32 14.85 15.03 30.89 121.83 145.07 -104.46 140.76 34.71 65.21 0.08 30.76 1.74 0.26 0.01 0.05 0.00 66.90 0.27 41 R E E 84.28 11.95 22.64 34.59 128.28 -167.11 -126.50 139.58 1.78 98.21 0.00 1.54 0.07 0.00 0.00 0.00 0.00 98.34 0.03 42 I E E 7.56 23.43 18.51 42.32 124.66 -165.07 -122.02 136.56 0.12 99.88 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 43 E E E 57.28 11.33 26.72 38.40 122.65 -161.81 -113.25 136.53 0.13 99.87 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.88 0.00 44 G E E 4.21 19.37 22.01 41.37 145.30 128.81 -168.28 -169.73 1.27 98.73 0.00 0.98 0.16 0.01 0.00 0.00 0.00 98.86 0.00 45 C E E 33.52 10.97 26.66 38.95 125.44 -87.27 -120.61 140.29 1.50 98.50 0.00 1.31 0.07 0.00 0.00 0.00 0.00 98.60 0.02 46 I E E 8.19 24.45 16.63 42.04 109.61 -116.28 -76.43 124.37 0.79 99.20 0.00 0.77 0.02 0.00 0.00 0.00 0.00 99.20 0.02 47 I E E 67.74 8.42 23.56 32.87 100.83 174.45 -102.13 -23.66 1.76 98.24 0.00 1.21 0.29 0.03 0.00 0.00 0.00 98.45 0.01 48 G E E 19.04 7.62 24.65 33.55 145.51 -33.22 165.12 171.18 1.28 98.71 0.00 0.80 0.26 0.03 0.00 0.00 0.00 98.89 0.01 49 F E E 54.86 20.10 12.12 31.27 134.08 -145.79 -143.21 152.80 1.39 98.61 0.00 1.33 0.08 0.00 0.00 0.00 0.00 97.69 0.89 50 D C C 57.38 5.94 16.81 23.88 127.87 -135.17 -95.50 175.87 89.69 10.29 0.02 89.94 0.36 0.08 0.00 0.01 0.00 9.13 0.47 51 E C T 156.67 1.89 14.31 17.16 91.66 -89.30 -64.12 -22.41 99.77 0.03 0.20 0.06 2.11 97.61 0.00 0.18 0.00 0.01 0.01 52 Y C T 144.12 3.38 15.58 19.75 94.44 51.95 -90.92 2.76 99.79 0.02 0.19 0.09 2.38 97.34 0.00 0.17 0.00 0.01 0.00 53 M C C 55.34 14.64 14.33 29.23 93.64 -110.53 68.72 24.03 98.72 0.97 0.30 51.52 44.21 2.95 0.04 0.32 0.00 0.52 0.43 54 N C C 43.24 9.56 20.94 31.82 115.36 152.12 -80.21 139.21 96.20 3.78 0.02 92.90 3.02 0.36 0.00 0.02 0.00 3.29 0.41 55 L E E 12.01 22.81 17.80 40.79 117.83 -138.47 -97.67 131.19 0.87 99.13 0.00 0.84 0.02 0.00 0.00 0.00 0.00 99.01 0.12 56 V E E 27.84 12.19 25.87 38.90 122.37 -167.39 -119.22 131.92 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.93 0.00 57 L E E 9.30 23.58 17.63 41.59 118.15 -156.10 -106.86 129.32 0.20 99.80 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.00 58 D E E 49.03 8.85 23.07 32.38 131.41 -174.93 -124.36 156.87 2.86 97.13 0.00 1.50 0.90 0.08 0.00 0.00 0.00 97.51 0.01 59 D E E 91.33 3.97 23.62 28.08 93.60 7.19 58.88 44.43 3.30 96.70 0.00 2.07 0.60 0.09 0.00 0.00 0.00 97.22 0.01 60 A E E 7.38 22.82 12.31 35.12 118.38 167.63 -80.35 146.09 1.76 98.24 0.00 1.65 0.04 0.00 0.00 0.00 0.00 98.29 0.01 61 E E E 58.04 9.01 24.27 33.96 126.43 -161.17 -123.61 141.50 0.31 99.68 0.00 0.26 0.01 0.00 0.00 0.00 0.00 99.72 0.01 62 E E E 42.71 15.27 18.09 33.85 118.44 -145.79 -104.36 130.60 0.51 99.49 0.00 0.42 0.02 0.00 0.00 0.00 0.00 99.56 0.00 63 I E E 40.21 10.35 16.49 29.08 118.28 -159.67 -111.61 127.01 2.28 97.71 0.01 2.01 0.13 0.01 0.00 0.00 0.00 97.76 0.08 64 H E E 57.15 7.30 13.73 23.72 108.67 -144.60 -91.59 114.71 18.07 81.89 0.05 16.38 0.92 0.13 0.01 0.03 0.00 81.95 0.59 65 S C T 61.25 6.92 11.38 20.26 94.16 -159.27 -67.62 -29.15 96.71 1.41 1.88 2.22 6.55 87.81 0.09 1.92 0.00 1.24 0.17 66 K C T 164.79 0.70 12.33 12.18 95.43 50.86 -73.14 -37.92 98.00 0.22 1.78 1.61 6.07 90.17 0.09 1.84 0.00 0.15 0.06 67 T C T 90.16 1.70 11.54 13.54 99.77 25.41 -100.35 -10.33 98.29 0.30 1.41 4.12 7.50 86.48 0.10 1.52 0.00 0.22 0.06 68 K C C 150.79 3.25 10.64 16.10 94.94 -127.92 60.31 31.86 96.81 2.74 0.45 46.35 7.41 42.94 0.07 0.34 0.00 2.69 0.20 69 S C E 59.54 3.07 13.48 17.93 124.03 136.09 -103.61 151.12 51.62 48.30 0.07 45.91 2.86 0.39 0.01 0.07 0.00 50.37 0.40 70 R E E 125.32 10.31 10.19 21.58 122.04 -142.69 -111.07 136.81 4.63 95.36 0.01 4.13 0.29 0.03 0.00 0.00 0.00 95.26 0.28 71 K E E 107.43 4.78 15.72 22.26 124.83 -171.22 -122.82 139.82 2.50 97.49 0.00 2.16 0.15 0.02 0.00 0.00 0.00 97.61 0.05 72 Q E E 118.95 5.64 14.46 22.12 111.99 -116.61 -76.13 129.23 6.05 93.95 0.01 5.54 0.27 0.02 0.00 0.00 0.00 94.05 0.11 73 L E E 62.75 11.85 13.09 25.70 100.99 -160.69 -99.09 -7.91 22.45 77.53 0.02 21.06 0.68 0.05 0.00 0.01 0.00 78.03 0.17 74 G E E 31.59 4.61 18.99 24.38 123.19 -120.32 87.10 -161.80 23.06 76.93 0.02 10.22 11.93 0.28 0.00 0.01 0.00 77.47 0.08 75 R E E 119.45 8.77 17.57 27.20 123.50 -20.72 -109.77 138.36 3.12 96.88 0.01 2.47 0.31 0.01 0.00 0.00 0.00 97.18 0.03 76 I E E 31.34 17.71 15.63 33.64 124.80 -167.81 -124.81 133.31 0.27 99.73 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.74 0.01 77 M E E 82.12 9.34 22.45 32.28 118.02 -154.06 -105.91 128.62 0.40 99.60 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.59 0.01 78 L E E 22.22 20.34 15.81 35.94 123.34 -170.82 -116.71 135.31 6.85 93.15 0.00 6.63 0.16 0.01 0.00 0.00 0.00 93.01 0.18 79 K C C 104.62 6.01 21.66 27.94 115.28 -126.85 -81.65 139.30 62.65 37.13 0.23 55.83 4.41 0.54 0.03 0.22 0.00 38.26 0.71 80 G C G 27.24 14.53 13.80 27.93 97.19 -127.67 -60.96 -48.06 50.30 6.78 42.92 9.19 15.63 25.29 0.94 43.31 0.01 4.65 0.97 81 D C G 113.06 2.38 19.94 22.10 92.44 61.50 -75.12 -14.57 54.08 3.02 42.89 3.08 10.99 37.56 0.68 45.14 0.01 2.03 0.51 82 N C G 65.10 10.88 16.27 27.85 98.52 51.83 -97.77 4.31 47.77 8.77 43.46 9.16 10.01 28.01 0.79 43.95 0.00 7.52 0.55 83 I E E 28.84 20.88 12.13 32.33 121.39 89.65 -108.20 132.65 16.68 83.07 0.25 15.18 1.46 0.22 0.11 0.13 0.00 81.85 1.04 84 T E E 61.58 8.11 20.98 29.73 122.89 -169.62 -118.79 135.49 4.93 94.96 0.10 4.46 0.30 0.06 0.04 0.04 0.00 94.98 0.12 85 L E E 78.09 10.60 18.92 29.98 119.57 -139.39 -109.55 132.75 3.07 96.84 0.09 2.78 0.15 0.04 0.03 0.03 0.00 96.92 0.06 86 L E E 65.52 14.44 14.06 28.52 121.07 -165.71 -113.35 131.80 6.84 92.99 0.18 6.25 0.37 0.08 0.07 0.06 0.00 93.03 0.13 87 Q E E 99.09 5.32 17.78 24.47 130.42 -173.97 -134.90 149.08 8.28 91.40 0.33 7.29 0.71 0.21 0.14 0.14 0.00 91.18 0.33 88 S E E 60.72 9.47 12.60 23.08 113.94 -112.44 -78.88 136.08 20.56 78.93 0.51 17.81 2.28 0.72 0.20 0.31 0.00 77.63 1.05 89 V C C 88.24 6.67 11.30 19.43 104.05 -161.99 -94.01 -3.76 77.25 21.13 1.62 55.19 14.43 6.56 0.35 1.35 0.00 20.90 1.23 90 S C C 74.90 3.20 10.84 15.67 119.45 27.39 -111.40 144.41 90.38 8.72 0.90 74.23 8.18 7.52 0.17 0.76 0.00 8.12 1.02 91 N C C 127.03 2.30 12.24 15.99 106.16 -121.05 -87.12 85.18 99.89 0.10 0.01 99.59 0.24 0.10 0.00 0.00 0.00 0.06 0.01