# 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 A C C 73.45 4.72 13.69 19.79 116.17 -141.61 -90.22 137.13 99.91 0.08 0.01 99.87 0.06 0.02 0.00 0.00 0.00 0.03 0.01 1 M C C 114.53 6.12 9.79 17.52 112.88 -142.73 -92.37 127.44 89.39 3.27 7.34 83.93 1.29 5.58 2.84 2.97 0.00 1.86 1.54 2 G C C 44.02 5.09 10.63 17.24 117.76 -153.58 -98.47 170.90 83.24 3.27 13.48 47.84 14.99 20.62 3.39 9.90 0.00 1.79 1.46 3 N C C 117.13 3.33 11.14 16.01 104.15 -82.23 -87.40 27.97 77.26 2.49 20.25 37.47 19.41 21.08 4.56 15.01 0.00 1.23 1.24 4 D C C 94.62 5.14 11.36 18.10 106.36 115.92 -88.48 55.58 74.10 2.55 23.36 39.86 18.08 16.48 4.90 18.22 0.00 1.33 1.12 5 T C C 85.61 5.23 12.89 19.45 105.14 128.01 -88.32 17.37 76.67 4.57 18.75 42.28 18.51 16.32 4.08 14.51 0.01 2.68 1.62 6 Y C C 105.12 11.96 10.80 22.90 115.60 92.07 -96.35 126.27 80.75 11.06 8.19 56.28 15.58 8.70 1.99 6.68 0.00 7.87 2.89 7 Q C C 107.94 4.34 16.99 22.64 120.99 -156.76 -108.25 137.18 79.22 20.46 0.32 61.15 17.63 0.64 0.12 0.22 0.00 17.96 2.28 8 P C C 84.09 7.50 15.70 24.57 114.58 -104.60 -65.51 145.21 65.57 34.02 0.40 60.38 3.97 0.68 0.19 0.25 0.00 25.37 9.16 9 I C C 37.61 19.00 10.23 28.49 115.76 -115.99 -82.84 138.08 81.87 17.82 0.30 78.32 3.64 0.37 0.17 0.14 0.00 9.80 7.56 10 N C C 87.23 4.17 18.75 23.20 113.96 -115.40 -76.84 142.63 96.40 3.19 0.41 93.62 2.88 0.40 0.23 0.12 0.00 1.91 0.85 11 C H H 74.73 8.16 12.23 21.74 93.24 -129.83 -61.79 -32.48 28.65 0.26 71.09 5.81 4.31 17.03 54.25 18.27 0.06 0.13 0.16 12 D H H 106.68 1.75 17.18 18.65 92.15 59.51 -66.81 -32.19 26.23 0.15 73.63 2.92 2.69 18.54 57.55 18.08 0.06 0.07 0.09 13 D H H 46.81 11.60 14.87 27.18 94.83 51.34 -76.84 -27.47 18.95 0.26 80.79 5.34 2.69 9.95 61.21 20.52 0.03 0.13 0.12 14 Y H H 62.80 16.25 13.92 29.80 92.66 65.16 -62.87 -41.32 6.33 0.05 93.62 3.31 0.99 2.25 91.07 2.33 0.00 0.02 0.02 15 D H H 91.02 2.43 21.34 23.08 91.69 52.36 -64.77 -40.07 3.23 0.02 96.75 1.14 0.41 1.70 95.70 1.03 0.00 0.01 0.01 16 N H H 69.09 7.10 20.55 28.21 91.97 50.38 -65.23 -40.74 1.14 0.01 98.85 0.31 0.11 0.64 98.46 0.47 0.00 0.00 0.00 17 L H H 9.71 22.94 16.20 38.85 92.08 50.56 -64.53 -42.43 0.37 0.00 99.63 0.09 0.03 0.18 99.56 0.13 0.00 0.00 0.00 18 E H H 76.68 10.40 21.26 31.70 91.44 51.95 -62.44 -42.28 0.33 0.00 99.67 0.08 0.02 0.16 99.63 0.11 0.00 0.00 0.00 19 L H H 78.09 3.02 23.31 25.49 91.54 50.18 -63.69 -42.68 0.49 0.00 99.50 0.09 0.03 0.28 99.43 0.16 0.00 0.00 0.00 20 A H H 11.95 14.69 17.23 33.23 91.73 50.64 -64.11 -41.86 1.10 0.01 98.89 0.18 0.07 0.69 98.69 0.36 0.00 0.00 0.00 21 C H H 18.64 19.53 15.14 34.37 92.41 50.33 -65.22 -39.71 3.15 0.01 96.84 0.34 0.20 2.34 96.16 0.94 0.01 0.01 0.01 22 Q H H 114.84 4.10 19.72 24.48 91.67 52.13 -66.73 -32.16 9.74 0.03 90.23 0.45 0.48 8.64 89.54 0.85 0.02 0.01 0.02 23 H C T 115.38 3.57 18.72 22.51 96.17 43.80 -92.71 0.78 72.56 0.10 27.34 0.97 2.86 67.23 27.70 1.12 0.01 0.03 0.08 24 H C T 111.76 8.99 17.71 27.35 95.65 -113.83 61.59 39.25 98.69 0.13 1.18 5.45 2.54 90.99 0.77 0.15 0.00 0.06 0.03 25 L C C 33.41 15.41 15.89 31.88 118.22 166.56 -87.24 143.65 86.26 13.67 0.07 80.02 4.56 0.41 0.02 0.05 0.00 14.72 0.24 26 M E E 72.59 10.10 23.93 34.23 117.19 -131.30 -92.72 132.81 10.99 89.00 0.01 10.37 0.34 0.02 0.00 0.00 0.00 89.15 0.12 27 L E E 5.25 24.64 16.53 41.69 129.48 -173.55 -126.28 148.87 0.32 99.68 0.00 0.31 0.00 0.00 0.00 0.00 0.00 99.68 0.00 28 T E E 29.94 9.77 26.37 37.64 118.74 -142.71 -108.07 129.94 0.04 99.96 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 29 L E E 3.81 25.28 17.41 43.62 120.34 -163.14 -112.97 130.28 0.03 99.97 0.00 0.03 0.00 0.00 0.00 0.00 0.00 99.97 0.00 30 E E E 54.52 8.05 24.08 33.25 116.51 -159.65 -110.29 124.15 0.09 99.91 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.91 0.00 31 L E E 17.49 17.68 12.97 31.21 121.98 -149.54 -86.52 162.08 14.32 85.66 0.02 13.96 0.25 0.03 0.00 0.01 0.00 85.45 0.29 32 K C T 125.26 6.97 14.22 22.67 91.61 -104.55 -61.31 -27.19 98.72 0.79 0.49 0.57 3.04 95.30 0.01 0.41 0.00 0.60 0.06 33 D C T 109.67 1.60 14.89 16.41 93.13 56.43 -85.98 0.43 99.43 0.14 0.44 0.45 3.14 95.91 0.01 0.38 0.00 0.08 0.02 34 G C S 46.73 3.89 13.42 18.76 98.41 -101.44 89.71 4.73 98.95 0.74 0.31 17.50 80.07 1.51 0.02 0.25 0.00 0.48 0.16 35 E C C 87.42 5.45 14.23 21.74 117.44 138.61 -74.44 143.46 96.85 3.14 0.01 96.69 0.43 0.04 0.00 0.00 0.00 2.71 0.11 36 K E E 108.80 9.91 15.18 26.61 125.15 -155.97 -122.65 138.81 1.84 98.15 0.00 1.79 0.06 0.00 0.00 0.00 0.00 97.99 0.16 37 L E E 34.95 15.02 16.52 32.41 129.36 -175.08 -131.21 144.63 0.23 99.77 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.78 0.00 38 Q E E 96.16 8.05 22.42 31.26 119.27 -143.37 -104.52 133.80 0.57 99.43 0.00 0.53 0.02 0.00 0.00 0.00 0.00 99.44 0.00 39 A E E 9.39 20.12 16.31 36.69 138.29 171.60 -145.84 161.03 3.02 96.97 0.00 2.99 0.08 0.00 0.00 0.00 0.00 96.92 0.01 40 K E E 95.54 6.48 25.75 32.93 119.91 -122.32 -105.66 134.65 3.14 96.86 0.00 2.91 0.12 0.01 0.00 0.00 0.00 96.90 0.06 41 A E E 8.45 23.86 12.73 36.93 111.13 -115.98 -71.89 131.21 6.94 93.01 0.05 6.72 0.21 0.03 0.01 0.02 0.00 92.77 0.22 42 S E E 55.77 5.97 21.83 28.37 103.50 176.57 -101.85 -31.31 14.50 85.42 0.08 8.91 4.95 0.56 0.01 0.08 0.00 85.34 0.15 43 D E E 75.50 3.96 23.72 27.88 135.82 -0.65 -153.11 152.68 7.68 92.29 0.03 5.27 1.80 0.21 0.00 0.03 0.00 92.62 0.06 44 L E E 56.27 19.56 12.20 30.61 121.75 -146.83 -119.90 130.22 3.05 96.93 0.02 2.76 0.16 0.02 0.00 0.01 0.00 97.00 0.05 45 V E E 64.99 5.31 19.54 25.87 129.19 -177.19 -133.35 147.80 1.11 98.88 0.01 1.00 0.06 0.01 0.00 0.00 0.00 98.86 0.06 46 S E E 64.42 9.47 11.53 22.19 120.48 -144.87 -109.62 134.96 8.02 91.92 0.06 6.64 0.70 0.13 0.01 0.03 0.00 92.38 0.10 47 R E E 123.58 5.12 11.68 18.85 121.78 171.68 -134.14 124.35 18.55 81.09 0.37 9.76 5.76 3.30 0.05 0.36 0.00 80.26 0.51 48 K C T 174.22 0.87 13.56 13.78 94.38 -16.18 51.99 42.52 98.76 0.67 0.57 1.40 10.52 86.75 0.02 0.70 0.00 0.54 0.08 49 N C T 121.59 3.12 13.34 17.86 93.88 -48.90 65.67 19.06 99.37 0.27 0.36 1.36 10.37 87.57 0.01 0.45 0.00 0.21 0.03 50 V E E 43.57 10.88 14.17 26.84 125.34 112.77 -117.26 139.32 9.22 90.76 0.03 6.38 2.24 0.28 0.00 0.02 0.00 90.75 0.32 51 E E E 36.17 14.11 17.16 32.74 114.64 -132.69 -89.16 130.20 2.54 97.46 0.00 2.20 0.12 0.01 0.00 0.00 0.00 97.64 0.02 52 Y E E 29.29 14.64 21.25 36.89 131.69 -176.90 -130.79 149.19 0.39 99.61 0.00 0.35 0.01 0.00 0.00 0.00 0.00 99.64 0.00 53 L E E 5.51 22.81 19.44 43.07 119.98 -144.04 -108.77 131.42 0.10 99.90 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 54 V E E 23.97 11.52 24.91 37.97 117.83 -157.06 -109.13 127.50 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 55 V E E 8.03 20.76 15.79 37.21 129.72 -176.02 -126.73 148.95 0.21 99.79 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.82 0.00 56 E E E 85.27 6.65 19.88 27.47 113.01 -133.99 -97.72 122.46 3.10 96.89 0.02 2.44 0.28 0.04 0.00 0.01 0.00 97.20 0.04 57 A E E 29.54 14.48 10.21 24.78 121.42 171.37 -130.40 126.92 16.86 82.71 0.43 11.67 4.04 1.64 0.07 0.37 0.00 81.75 0.47 58 A C T 97.65 1.17 13.34 14.56 94.96 -17.91 48.89 42.32 98.18 0.78 1.04 1.55 10.40 86.17 0.05 1.10 0.00 0.63 0.11 59 G C T 66.69 0.63 12.44 12.18 95.83 -49.73 80.65 1.65 98.79 0.23 0.98 1.58 11.39 85.73 0.04 1.06 0.00 0.16 0.04 60 E E E 118.74 2.43 13.21 17.15 125.32 98.69 -115.41 145.69 20.46 79.37 0.17 13.13 6.98 1.20 0.03 0.17 0.00 77.89 0.60 61 T E E 81.26 8.38 11.51 21.45 118.17 -131.92 -99.13 132.92 10.01 89.95 0.03 8.85 0.55 0.07 0.01 0.02 0.00 90.41 0.10 62 R E E 84.36 9.87 15.89 27.14 128.98 -176.23 -129.30 144.25 2.65 97.32 0.03 2.25 0.15 0.02 0.01 0.01 0.00 97.54 0.02 63 E E E 99.43 9.15 19.14 29.17 118.58 -138.16 -101.62 131.13 0.79 99.20 0.01 0.69 0.03 0.00 0.00 0.00 0.00 99.25 0.01 64 L E E 12.59 21.35 15.78 37.35 124.10 -170.62 -120.60 136.53 1.17 98.81 0.02 1.07 0.04 0.01 0.01 0.00 0.00 98.84 0.03 65 R E E 107.38 6.53 25.09 31.88 111.79 -131.21 -86.94 123.93 6.02 93.83 0.15 5.52 0.35 0.09 0.04 0.06 0.00 93.75 0.19 66 L C G 8.12 25.49 12.43 37.88 106.75 -156.85 -89.33 86.54 38.17 25.94 35.89 31.42 2.68 2.69 1.69 33.70 0.00 27.55 0.27 67 D H G 87.02 5.43 21.94 27.86 94.89 137.22 -80.15 -22.74 40.42 17.92 41.66 10.16 10.55 19.70 1.03 41.66 0.01 16.50 0.39 68 K H G 99.12 6.70 21.92 28.98 121.29 29.87 -133.21 115.40 34.94 28.36 36.71 10.79 7.02 17.85 1.00 35.86 0.00 27.05 0.42 69 I E E 30.81 22.26 11.78 33.16 111.14 106.14 -84.39 120.60 15.92 80.94 3.14 14.84 1.36 0.43 0.89 1.82 0.00 79.44 1.23 70 T E E 66.22 6.26 20.64 27.67 100.90 176.87 -95.21 -32.29 18.93 78.47 2.60 12.56 5.25 2.08 0.54 1.71 0.00 77.55 0.30 71 S E E 50.38 5.89 22.65 29.41 141.61 -0.68 -156.46 154.31 8.30 90.03 1.66 5.67 1.59 1.22 0.25 1.12 0.00 89.93 0.22 72 F E E 56.12 20.95 12.04 31.62 127.41 -168.65 -136.06 133.79 13.88 85.60 0.52 12.35 1.40 0.35 0.21 0.30 0.00 84.13 1.25 73 S C E 58.95 5.66 20.24 26.51 122.41 -174.12 -121.74 135.35 50.04 49.71 0.25 38.70 10.16 0.97 0.07 0.21 0.00 48.82 1.07 74 H C C 88.69 10.94 13.40 24.89 119.11 -129.40 -113.09 131.65 87.31 12.07 0.61 59.81 24.15 3.04 0.11 0.56 0.00 11.52 0.82 75 P C C 77.12 7.43 14.12 22.62 105.74 -119.12 -71.76 119.74 90.96 3.80 5.24 44.56 22.67 23.72 0.73 4.68 0.00 3.05 0.58 76 E C C 124.92 4.36 15.34 20.96 112.03 -83.59 -95.14 121.72 81.03 12.74 6.23 43.20 16.80 21.45 1.04 5.28 0.00 10.78 1.45 77 I C C 80.76 12.20 11.62 23.94 114.16 -157.99 -95.66 127.11 73.45 21.97 4.58 51.87 12.32 9.17 1.01 3.52 0.00 20.40 1.70 78 G C C 36.91 6.06 17.33 24.15 117.73 151.71 -112.00 -153.30 62.25 36.34 1.41 36.93 17.78 7.28 0.32 1.03 0.00 35.77 0.89 79 T E E 76.30 6.69 16.98 24.75 125.07 -29.33 -121.20 139.62 36.17 62.82 1.01 30.23 4.15 1.19 0.38 0.53 0.00 62.75 0.77 80 V E E 43.67 16.31 12.93 29.37 120.16 -160.30 -114.91 128.66 21.19 78.47 0.34 19.83 0.92 0.19 0.19 0.12 0.00 78.23 0.52 81 V E E 74.93 6.30 19.75 27.05 117.26 -160.64 -108.65 125.05 17.18 82.60 0.22 16.30 0.57 0.12 0.12 0.07 0.00 82.26 0.55 82 V E E 46.92 15.71 11.86 27.57 117.88 -165.34 -106.42 131.03 28.83 70.71 0.46 25.64 1.92 0.44 0.23 0.18 0.00 70.76 0.83 83 S C C 64.19 5.42 14.84 21.58 122.67 -167.17 -110.85 147.06 57.50 41.94 0.56 44.93 9.58 1.81 0.16 0.39 0.00 42.12 1.01 84 E C C 128.09 4.95 11.32 18.09 113.01 -118.92 -88.99 132.73 81.28 18.36 0.37 76.14 2.87 0.98 0.09 0.25 0.00 18.92 0.75 85 S C C 79.60 3.80 12.71 18.15 112.86 -116.40 -88.78 135.27 99.81 0.19 0.01 99.77 0.07 0.03 0.00 0.00 0.00 0.12 0.01