# 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 110.25 6.79 10.56 18.65 115.09 -152.98 -91.89 132.53 99.77 0.19 0.04 99.57 0.22 0.06 0.02 0.00 0.00 0.08 0.04 1 Q C C 113.39 3.71 9.93 15.41 116.29 -137.85 -92.78 132.54 93.26 1.13 5.61 91.02 1.35 1.08 5.19 0.36 0.00 0.41 0.59 2 P C C 92.73 3.56 9.89 15.18 101.64 -118.15 -65.96 3.61 60.82 1.70 37.48 43.46 5.46 10.84 33.76 4.90 0.00 0.90 0.68 3 T H H 80.15 4.99 9.28 15.81 102.65 60.99 -80.49 -9.84 41.46 2.50 56.04 26.77 6.19 9.53 45.80 9.40 0.02 1.61 0.70 4 R H H 143.30 3.63 10.90 16.03 96.18 69.29 -74.07 -20.79 22.42 4.55 73.03 13.09 4.47 6.32 56.95 14.77 0.06 3.68 0.65 5 V H H 93.63 3.24 10.96 15.51 97.31 64.48 -75.87 -29.23 19.39 5.42 75.19 11.11 3.54 5.88 59.00 15.11 0.06 4.64 0.64 6 L H H 103.72 4.04 10.94 16.38 98.38 55.14 -80.97 -19.50 24.17 5.00 70.83 12.66 4.47 8.37 55.88 13.53 0.10 4.18 0.80 7 F H H 118.20 6.17 9.96 17.64 104.36 66.36 -86.41 22.89 37.31 3.94 58.74 18.46 7.50 13.11 46.85 10.22 0.13 2.65 1.09 8 K C H 141.23 2.84 12.16 16.53 106.22 101.29 -81.82 92.14 52.47 3.81 43.72 27.57 11.10 14.84 35.85 7.07 0.09 2.21 1.27 9 R C C 144.04 4.84 10.78 17.21 112.16 68.21 -91.26 114.65 60.45 5.22 34.33 35.93 12.22 12.74 27.40 6.74 0.06 2.91 1.99 10 S C C 56.05 7.30 10.36 19.07 115.52 -128.38 -92.21 146.55 63.66 6.49 29.85 46.31 8.14 8.64 20.28 10.11 0.02 3.75 2.76 11 V C T 105.34 4.15 12.68 18.31 98.71 -135.82 -78.86 -18.06 59.92 4.83 35.25 15.36 14.64 30.94 17.81 16.02 0.30 2.84 2.09 12 W C T 148.90 6.39 11.79 19.45 105.08 64.96 -88.29 45.81 64.54 6.80 28.67 19.07 14.48 32.34 13.16 14.17 0.24 4.11 2.43 13 K C C 124.27 5.50 12.79 19.89 110.09 107.99 -91.31 104.29 73.25 9.51 17.24 37.56 20.55 16.09 8.87 7.73 0.10 4.83 4.26 14 G C C 32.10 7.20 14.26 22.81 128.71 11.35 116.01 -175.49 91.59 6.63 1.78 48.88 32.39 10.75 0.40 1.50 0.00 3.85 2.24 15 P C S 82.50 6.54 15.22 22.69 102.43 -38.97 -72.36 68.98 94.87 3.94 1.19 27.56 36.84 30.73 0.15 1.15 0.00 2.94 0.62 16 H C C 87.86 10.94 15.26 26.51 104.43 64.55 -95.59 43.40 64.06 34.08 1.85 30.64 16.99 19.28 0.32 1.72 0.01 28.13 2.91 17 I E E 70.16 12.89 14.09 27.39 120.56 108.28 -109.83 131.17 37.83 61.66 0.52 30.47 4.95 0.66 0.27 0.31 0.00 43.71 19.62 18 V C C 53.45 10.59 15.33 27.39 120.28 -164.06 -115.27 130.50 68.20 31.69 0.11 62.97 3.94 0.27 0.03 0.08 0.00 30.11 2.59 19 P C C 86.62 5.36 18.41 24.88 114.17 -114.63 -68.54 143.46 85.05 14.76 0.18 64.71 18.88 1.11 0.04 0.18 0.00 13.73 1.35 20 L C C 58.10 15.89 10.73 26.19 114.98 -114.96 -82.83 135.49 94.64 4.93 0.43 76.02 17.36 1.31 0.11 0.35 0.00 3.54 1.30 21 P C C 77.06 6.18 16.89 23.98 108.39 -109.91 -70.29 136.62 94.00 4.57 1.43 76.85 13.13 3.91 0.33 1.20 0.00 3.10 1.48 22 I C C 79.02 11.67 11.19 23.32 117.82 -145.25 -98.70 129.05 88.42 9.59 1.99 70.83 12.88 3.92 0.61 1.50 0.00 5.13 5.13 23 Q C C 113.54 4.83 14.42 20.67 115.20 -156.86 -96.66 136.13 89.67 8.92 1.41 67.42 18.75 3.08 0.43 1.09 0.00 5.43 3.82 24 R C C 146.08 5.53 12.64 19.93 116.08 -120.27 -94.95 129.99 92.23 7.16 0.61 67.44 23.44 1.47 0.21 0.42 0.00 4.24 2.78 25 P C C 60.25 10.11 9.00 20.19 116.02 -115.14 -69.58 151.83 94.30 4.78 0.92 83.26 8.64 2.13 0.28 0.65 0.00 2.67 2.35 26 E C C 138.21 2.05 12.28 15.41 114.70 -107.22 -80.03 139.55 96.35 2.85 0.79 79.27 14.01 2.54 0.24 0.57 0.00 1.12 2.24 27 P C T 111.66 2.37 9.40 13.64 110.95 -90.57 -63.47 137.84 96.24 0.89 2.87 16.05 14.41 65.46 0.36 2.74 0.00 0.52 0.46 28 G C T 63.28 0.84 11.42 12.07 104.52 20.90 85.76 -11.37 96.00 0.78 3.21 15.69 15.74 64.21 0.35 3.21 0.00 0.49 0.31 29 K C C 132.75 3.40 9.90 14.99 117.87 103.12 -92.01 142.58 90.00 4.97 5.03 48.29 28.91 12.23 0.72 4.86 0.00 2.32 2.68 30 K C C 153.29 2.10 13.11 16.42 111.56 -115.42 -85.42 125.40 88.80 7.69 3.51 64.07 15.26 8.63 0.68 3.27 0.00 4.40 3.69 31 I C C 64.93 13.90 9.23 22.97 118.03 -154.37 -96.87 135.33 89.41 9.56 1.02 74.95 12.67 1.43 0.35 0.68 0.00 5.25 4.67 32 A C C 65.48 4.16 19.44 24.08 117.55 -126.08 -82.64 142.63 94.38 5.54 0.08 87.17 7.15 0.25 0.02 0.06 0.00 4.59 0.75 33 P C C 59.09 12.88 16.04 29.05 115.82 -104.74 -66.78 147.89 90.42 9.53 0.04 85.12 4.98 0.20 0.01 0.04 0.00 8.85 0.80 34 I E E 21.76 20.75 14.82 35.75 115.94 -125.76 -95.00 130.12 26.53 73.41 0.06 25.56 0.77 0.05 0.04 0.03 0.00 66.23 7.32 35 R E E 122.95 7.01 23.94 31.74 117.43 -147.67 -98.49 132.90 20.27 79.65 0.08 19.07 0.78 0.07 0.06 0.04 0.00 72.77 7.22 36 T C C 17.26 22.36 12.77 34.33 129.82 -169.15 -125.20 151.60 64.42 35.10 0.47 58.32 4.29 0.68 0.13 0.36 0.00 33.00 3.22 37 Q C C 104.52 5.71 22.00 28.19 98.69 -153.41 -92.26 -6.13 86.25 10.11 3.64 43.03 37.29 6.83 0.61 2.95 0.00 7.54 1.76 38 A C C 31.37 15.06 15.98 30.98 114.56 83.17 -85.16 130.44 80.26 4.43 15.31 34.22 30.05 16.40 1.73 13.50 0.00 2.75 1.36 39 R C T 127.80 9.40 18.38 28.23 99.21 -157.03 -83.00 -18.94 78.26 4.08 17.66 24.33 25.69 28.61 1.46 16.31 0.00 2.54 1.05 40 S C C 67.46 5.47 22.22 27.87 102.55 36.86 -91.95 48.93 75.14 6.80 18.06 37.04 16.58 21.87 1.35 17.20 0.00 4.78 1.16 41 A C C 14.83 20.22 14.17 34.17 123.16 140.40 -97.88 147.86 79.01 18.01 2.98 68.61 8.28 1.74 0.41 2.62 0.00 17.24 1.10 42 T E E 61.90 7.59 25.50 33.80 119.21 -133.33 -102.84 133.27 21.02 78.69 0.29 18.44 1.83 0.25 0.15 0.19 0.00 71.49 7.65 43 I E E 16.28 23.87 14.81 38.92 116.33 -149.13 -98.95 126.68 20.51 79.45 0.04 20.13 0.57 0.02 0.03 0.02 0.00 63.90 15.33 44 L C C 48.77 10.04 19.89 31.05 114.63 -128.53 -76.12 140.12 99.20 0.78 0.01 99.16 0.30 0.01 0.00 0.00 0.00 0.46 0.06 45 P H G 69.75 10.12 16.38 27.53 90.97 -118.38 -58.21 -31.76 10.23 0.12 89.64 0.61 0.79 7.41 0.58 90.51 0.00 0.10 0.01 46 N H G 102.27 4.45 20.49 25.86 89.07 65.37 -68.23 -16.03 8.92 0.07 91.01 0.22 0.43 7.39 0.44 91.48 0.00 0.05 0.00 47 F H G 15.34 21.24 14.04 35.95 94.70 56.11 -95.43 -5.32 9.66 0.13 90.21 1.12 0.96 5.85 0.59 91.38 0.00 0.09 0.01 48 V C T 52.43 14.75 15.08 30.36 112.57 116.43 -62.17 132.49 97.88 1.22 0.91 0.53 1.27 96.75 0.11 0.38 0.00 0.43 0.52 49 G C T 44.88 3.80 21.67 26.19 93.70 23.67 85.73 -3.83 99.68 0.21 0.10 0.23 1.69 97.84 0.00 0.07 0.00 0.15 0.01 50 L C C 34.59 16.08 15.63 32.33 119.29 128.76 -79.83 146.39 95.10 4.88 0.01 90.46 4.47 0.07 0.00 0.01 0.00 4.87 0.12 51 K E E 89.74 9.15 23.67 33.27 115.99 -133.69 -99.20 128.67 2.10 97.90 0.00 2.20 0.05 0.00 0.00 0.00 0.00 97.42 0.34 52 F E E 7.05 24.09 16.70 41.25 131.88 -173.93 -127.32 151.57 0.21 99.79 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.78 0.00 53 Q E E 39.66 11.48 25.22 37.67 117.88 -134.34 -97.96 131.02 0.12 99.88 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.87 0.00 54 V E E 6.51 22.56 18.53 41.69 120.68 -162.63 -113.93 130.32 0.47 99.53 0.00 0.42 0.02 0.00 0.00 0.00 0.00 99.55 0.01 55 H E E 40.43 12.29 19.32 32.99 114.35 -155.50 -105.27 122.43 8.70 91.26 0.03 7.62 0.73 0.10 0.00 0.02 0.00 91.32 0.21 56 N E E 54.09 10.48 16.53 28.61 99.90 176.16 -107.09 15.56 47.09 52.32 0.59 31.88 10.40 4.97 0.06 0.61 0.00 51.10 0.98 57 G C T 41.92 6.73 15.06 22.57 100.01 -93.16 76.31 -11.93 98.73 0.60 0.67 2.03 38.05 58.61 0.02 0.77 0.00 0.41 0.10 58 K C T 155.82 1.43 15.20 16.50 103.27 35.38 -102.79 -25.03 98.60 0.86 0.54 2.12 42.09 54.43 0.01 0.61 0.00 0.62 0.11 59 D E E 98.49 1.95 16.92 18.97 126.95 29.12 -129.89 145.82 29.18 70.73 0.08 20.85 7.92 0.71 0.01 0.09 0.00 69.50 0.92 60 Y E E 100.79 14.77 10.30 24.65 119.52 -134.49 -101.69 134.30 9.73 90.26 0.00 9.06 0.37 0.02 0.00 0.00 0.00 90.37 0.18 61 I E E 66.70 8.01 17.37 27.00 121.12 -166.12 -119.96 130.69 2.62 97.38 0.00 2.29 0.10 0.00 0.00 0.00 0.00 97.59 0.02 62 D E E 93.46 6.12 18.33 25.94 113.61 -123.04 -74.57 135.40 1.71 98.29 0.00 1.53 0.03 0.00 0.00 0.00 0.00 98.43 0.01 63 L E E 23.52 19.00 13.48 32.42 129.96 -176.77 -130.74 146.04 0.77 99.23 0.00 0.74 0.01 0.00 0.00 0.00 0.00 99.24 0.01 64 T E E 73.43 5.40 24.46 30.15 116.53 -135.53 -100.97 130.46 0.78 99.22 0.00 0.74 0.02 0.00 0.00 0.00 0.00 99.21 0.04 65 V E E 9.78 24.21 11.61 36.13 115.25 -145.02 -97.18 125.44 16.82 83.17 0.01 17.04 0.19 0.01 0.00 0.00 0.00 82.33 0.42 66 T C C 49.42 4.93 22.52 27.46 132.65 173.40 -125.73 170.26 95.00 4.92 0.09 93.89 1.61 0.09 0.03 0.04 0.00 3.98 0.36 67 E H G 119.31 8.06 14.53 23.94 90.48 -98.57 -59.30 -34.20 17.84 0.19 81.97 0.79 1.72 15.50 8.54 73.28 0.00 0.14 0.03 68 E H G 146.66 1.37 19.04 19.72 90.49 60.30 -68.34 -22.26 17.53 0.09 82.38 0.50 1.10 16.29 7.35 74.67 0.00 0.06 0.02 69 M H G 31.26 17.13 13.43 30.87 95.77 47.60 -96.58 -8.66 16.75 0.23 83.02 1.44 1.61 13.56 8.34 74.83 0.00 0.17 0.05 70 V C T 42.04 17.26 13.73 30.88 112.45 113.42 -64.11 135.33 82.55 3.22 14.23 4.68 4.50 73.30 9.91 4.27 0.07 1.52 1.75 71 G C T 35.34 8.36 19.97 29.06 95.13 20.78 82.49 -4.69 89.77 0.74 9.49 4.01 5.69 80.06 5.80 3.64 0.01 0.44 0.34 72 H C C 85.45 8.53 19.99 29.19 98.89 102.89 -76.10 -36.89 62.38 3.24 34.38 33.17 12.57 17.59 22.58 10.65 0.05 1.44 1.95 73 K H H 71.22 13.06 20.83 33.12 96.88 46.68 -68.11 -41.07 38.01 12.08 49.91 12.94 8.50 17.22 32.26 14.81 1.72 4.64 7.90 74 L H H 33.75 19.42 17.14 35.66 94.07 24.38 -68.64 -23.54 34.46 3.15 62.39 5.13 6.01 21.61 37.17 25.22 1.49 1.83 1.54 75 G H H 29.01 10.41 19.29 29.97 94.27 47.25 -64.46 -25.18 35.91 1.73 62.36 6.26 5.96 22.05 34.95 28.46 0.47 0.90 0.95 76 E H H 91.94 7.33 19.32 27.24 94.44 64.38 -70.99 -29.29 45.63 1.98 52.40 8.29 8.40 27.33 28.21 25.17 0.38 1.02 1.20 77 F C T 75.79 12.30 15.41 28.03 100.78 39.26 -98.35 -6.82 57.21 4.14 38.66 14.12 13.35 29.81 21.25 16.56 0.55 1.96 2.39 78 S C C 38.46 12.76 12.93 26.08 111.07 85.63 -82.60 143.14 64.24 5.78 29.97 33.51 15.98 15.66 12.76 16.27 0.14 2.85 2.83 79 A C C 74.19 4.21 15.70 20.87 96.63 -121.04 -72.40 -12.34 70.07 5.81 24.12 33.21 15.88 22.01 8.16 15.04 0.07 3.34 2.29 80 T C C 73.93 7.75 11.73 20.56 102.00 81.24 -88.61 12.82 74.28 8.31 17.41 42.16 14.98 17.58 5.32 11.79 0.05 4.69 3.44 81 R C C 144.34 5.57 10.98 18.09 105.20 103.07 -91.47 32.66 86.38 9.51 4.12 57.39 24.13 4.64 1.99 2.13 0.01 4.78 4.92 82 K C C 135.51 2.78 11.64 16.05 119.78 133.42 -102.87 137.51 92.85 6.70 0.44 65.45 27.09 0.96 0.18 0.25 0.00 4.32 1.74 83 P C C 103.95 2.77 11.33 15.92 113.41 -105.21 -67.81 144.69 90.14 8.44 1.42 79.04 8.29 2.56 0.53 0.88 0.00 6.09 2.62 84 F C C 123.12 7.44 7.52 16.27 116.08 -124.63 -90.00 132.97 84.78 13.14 2.08 73.20 7.95 2.84 0.79 1.29 0.00 8.63 5.31 85 I C C 129.96 2.05 10.85 14.32 116.23 -162.41 -106.87 128.10 82.85 14.80 2.35 69.63 9.31 3.12 0.89 1.48 0.00 10.62 4.95 86 W C C 170.91 4.22 7.68 13.86 115.84 -163.90 -103.18 133.61 83.07 12.38 4.55 57.34 16.43 9.00 1.65 2.97 0.00 9.02 3.59 87 G C C 51.65 2.68 8.92 13.24 116.37 -167.27 -112.87 164.29 87.88 7.43 4.70 57.70 18.67 11.40 1.29 3.46 0.00 5.51 1.96 88 K C C 161.07 1.70 7.79 11.10 108.55 -108.64 -91.44 103.97 87.14 6.49 6.37 52.91 20.67 13.66 1.72 4.53 0.00 4.13 2.38 89 K C C 154.97 1.76 7.47 10.94 113.51 -140.07 -91.28 132.38 93.36 3.27 3.38 82.28 3.20 8.32 1.06 1.82 0.00 2.02 1.31 90 K C C 159.01 1.91 9.37 12.92 109.77 -118.69 -81.73 125.84 99.84 0.12 0.04 99.60 0.18 0.11 0.01 0.01 0.00 0.07 0.02