# 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 103.20 6.36 12.34 20.17 118.58 -155.51 -103.73 136.41 99.92 0.08 0.00 99.88 0.07 0.01 0.00 0.00 0.00 0.03 0.01 1 P C C 92.13 3.58 11.46 16.61 113.12 -108.86 -68.25 147.71 86.34 4.58 9.09 82.02 0.92 4.03 6.70 1.71 0.00 2.49 2.13 2 L C C 102.42 6.11 8.77 16.38 106.81 -118.76 -79.80 126.12 79.07 5.11 15.83 60.38 10.65 7.21 12.49 3.95 0.01 2.37 2.95 3 A C C 59.82 5.61 10.45 17.60 108.47 -112.17 -77.38 130.84 71.09 3.44 25.47 59.69 6.54 4.86 20.33 5.23 0.00 1.64 1.71 4 K H H 130.86 3.82 11.92 17.21 98.50 -129.88 -71.68 -29.70 23.92 1.23 74.85 9.35 4.98 9.79 51.66 22.92 0.12 0.75 0.42 5 D H H 92.18 4.47 12.04 17.98 96.28 57.11 -73.97 -19.53 20.44 0.94 78.62 6.85 3.21 9.38 52.97 26.65 0.06 0.61 0.27 6 L H H 88.12 7.17 12.15 20.49 95.53 58.39 -77.10 -19.58 22.60 0.88 76.51 5.96 3.78 11.62 51.56 26.14 0.11 0.51 0.31 7 L H H 87.13 7.34 13.10 21.55 98.77 56.46 -87.99 -10.83 43.03 2.39 54.59 11.13 13.84 21.26 39.73 10.85 0.62 0.95 1.62 8 H C S 107.28 5.90 13.20 20.69 113.52 62.42 -107.25 109.61 98.63 1.15 0.22 33.08 65.22 0.57 0.13 0.06 0.00 0.40 0.53 9 P C C 51.23 9.47 10.20 21.29 118.27 -133.73 -70.79 153.44 98.62 1.30 0.08 93.20 5.19 0.20 0.04 0.03 0.00 0.40 0.94 10 S C C 56.29 2.98 14.85 18.49 116.16 -104.16 -69.24 156.08 99.67 0.22 0.11 98.73 0.94 0.05 0.08 0.01 0.00 0.05 0.15 11 P H H 88.95 4.33 11.03 17.18 91.73 -108.92 -58.26 -37.91 4.25 0.02 95.74 1.21 0.58 2.31 94.36 1.52 0.00 0.01 0.01 12 E H H 130.58 1.21 13.48 14.24 92.09 52.56 -64.62 -39.76 2.69 0.03 97.28 0.72 0.27 1.65 95.54 1.78 0.00 0.02 0.01 13 E H H 95.68 2.47 13.11 16.39 92.17 49.22 -65.85 -39.49 1.52 0.06 98.42 0.53 0.19 0.81 96.51 1.90 0.00 0.05 0.01 14 E H H 70.14 6.44 10.91 19.32 92.08 51.69 -64.82 -40.57 1.71 0.05 98.24 0.65 0.19 0.87 97.30 0.95 0.00 0.03 0.01 15 K H H 116.14 3.14 13.46 17.61 92.26 51.20 -65.26 -39.04 4.12 0.09 95.80 1.05 0.38 2.57 94.83 1.08 0.01 0.05 0.02 16 R H H 149.25 1.46 14.44 15.44 92.70 50.00 -67.60 -37.59 8.41 0.08 91.51 1.27 0.70 5.99 90.72 1.23 0.01 0.04 0.03 17 K H H 117.35 3.30 13.85 18.08 93.87 51.18 -72.01 -30.52 21.38 0.28 78.33 4.30 2.79 14.06 77.01 1.55 0.04 0.11 0.14 18 H H H 81.49 8.06 10.38 19.77 99.34 56.20 -84.94 -0.58 49.12 1.50 49.38 21.85 7.06 20.13 47.04 2.55 0.03 0.67 0.67 19 K C H 126.94 3.86 12.82 18.08 97.13 85.56 -68.05 -33.53 55.46 3.17 41.37 31.52 7.16 16.61 35.31 6.31 0.03 1.76 1.30 20 K C H 138.99 2.68 13.20 16.70 98.10 62.10 -77.05 -18.20 57.63 3.70 38.67 23.79 11.22 22.59 29.56 9.19 0.06 2.34 1.24 21 K C C 121.06 5.30 12.75 19.31 101.30 62.87 -84.50 2.76 63.04 6.09 30.86 32.24 13.67 17.20 21.44 9.48 0.08 4.04 1.84 22 R C C 125.20 6.98 13.08 21.26 109.24 90.05 -84.58 107.66 68.91 10.99 20.10 47.13 11.56 9.32 14.75 6.13 0.04 6.81 4.25 23 L C C 80.87 9.21 12.79 22.83 105.22 -143.46 -82.02 33.75 70.28 14.21 15.51 47.02 13.71 8.92 10.80 5.27 0.06 8.37 5.84 24 V C C 76.29 8.23 12.54 21.81 111.23 74.56 -89.03 125.42 80.50 7.84 11.66 42.37 20.02 18.81 6.72 4.67 0.03 4.81 2.57 25 Q C C 125.99 3.68 13.96 18.85 100.42 55.30 -82.57 -4.18 89.60 3.55 6.85 41.41 27.66 21.02 2.59 3.94 0.00 1.95 1.42 26 S C C 45.93 6.92 12.13 20.93 121.87 70.82 -115.02 137.46 96.42 2.95 0.63 57.63 37.19 1.60 0.21 0.37 0.00 1.14 1.87 27 P C T 96.73 4.52 13.17 19.29 95.12 -124.00 -64.22 -21.07 96.01 0.65 3.34 8.71 10.15 76.73 0.30 3.43 0.00 0.41 0.27 28 N C T 106.55 4.22 15.33 20.60 96.87 54.89 -91.11 6.86 95.91 1.26 2.84 9.00 10.13 76.46 0.27 2.88 0.00 0.92 0.33 29 S C C 30.45 13.91 12.33 26.99 119.51 110.69 -93.10 141.69 84.08 12.62 3.30 62.18 15.89 5.74 0.51 3.24 0.00 9.90 2.54 30 Y C C 95.91 9.79 19.05 29.33 127.60 -173.03 -125.71 145.00 67.96 31.25 0.78 49.09 16.13 2.55 0.16 0.72 0.00 29.49 1.86 31 F E E 69.18 15.59 16.34 31.57 120.75 -134.21 -104.33 135.36 20.98 78.84 0.17 18.31 1.86 0.28 0.04 0.13 0.00 78.03 1.34 32 M E E 58.31 12.10 18.38 31.09 123.50 -172.55 -119.85 141.52 7.22 92.74 0.04 6.18 0.78 0.08 0.01 0.03 0.00 92.44 0.48 33 D E E 81.50 8.26 20.25 28.80 111.85 -111.74 -85.67 122.61 3.93 96.05 0.02 3.28 0.55 0.05 0.00 0.02 0.00 96.03 0.07 34 V E E 27.05 17.25 14.93 32.46 124.93 -175.52 -121.27 137.35 4.17 95.82 0.01 3.89 0.16 0.01 0.00 0.01 0.00 95.78 0.16 35 K E E 118.54 5.12 21.16 27.12 116.30 -138.20 -96.79 130.10 11.20 88.78 0.01 10.24 0.55 0.03 0.00 0.01 0.00 87.28 1.88 36 C C C 14.35 19.96 10.36 29.96 114.05 -133.45 -86.25 131.51 92.87 7.11 0.02 91.82 1.30 0.10 0.00 0.02 0.00 6.36 0.40 37 P C T 87.22 4.50 17.11 22.50 109.25 -106.43 -61.56 134.51 98.01 0.86 1.14 1.39 8.42 88.05 0.03 1.32 0.00 0.67 0.13 38 G C T 57.99 1.89 16.27 18.10 95.75 16.09 85.54 -3.01 98.28 0.76 0.95 0.75 8.58 88.91 0.02 1.08 0.00 0.57 0.10 39 C C C 35.15 13.68 9.02 22.91 129.28 85.37 -120.86 156.05 81.26 16.94 1.80 46.03 28.69 7.20 0.27 1.92 0.01 10.50 5.38 40 Y C S 173.29 2.45 15.59 18.69 97.10 -143.22 -84.42 -9.94 87.62 12.04 0.34 24.66 56.40 6.48 0.04 0.37 0.00 11.16 0.89 41 K C S 118.53 4.03 16.99 22.14 121.91 83.28 -103.36 142.35 67.25 32.48 0.27 31.69 32.95 3.27 0.03 0.27 0.00 30.89 0.90 42 I E E 66.69 15.04 13.21 28.07 119.54 -144.92 -106.68 131.12 34.59 65.38 0.04 32.54 1.13 0.08 0.01 0.02 0.00 65.88 0.33 43 T E E 47.29 10.12 18.75 29.91 124.39 -171.18 -120.39 141.06 3.27 96.71 0.02 2.95 0.19 0.03 0.00 0.01 0.00 96.70 0.11 44 T E E 53.61 12.79 18.60 31.66 116.07 -133.72 -95.48 130.89 1.00 98.99 0.01 0.93 0.03 0.00 0.00 0.00 0.00 99.00 0.04 45 V E E 32.67 15.10 18.29 33.88 116.45 -162.82 -107.98 128.86 2.95 97.02 0.02 2.29 0.42 0.03 0.00 0.01 0.00 97.18 0.05 46 F E E 60.01 12.99 18.71 32.10 120.92 -142.09 -113.79 130.96 9.00 90.86 0.15 7.17 1.29 0.28 0.03 0.08 0.00 90.75 0.41 47 S E E 39.55 12.62 15.97 29.00 123.64 -175.93 -122.25 152.50 46.47 51.79 1.74 25.18 13.85 8.51 0.24 1.44 0.00 49.99 0.80 48 H C T 117.54 6.11 18.67 25.06 99.09 -109.93 -77.13 12.50 81.62 15.45 2.92 25.91 27.87 28.32 0.35 2.60 0.00 13.71 1.24 49 A C S 41.44 11.41 14.57 26.56 117.77 75.53 -101.21 147.90 91.79 5.36 2.86 25.12 34.18 32.62 0.27 2.81 0.00 4.26 0.74 50 Q C S 100.68 8.33 17.96 26.70 104.80 -122.56 -85.04 51.52 75.49 23.20 1.31 21.57 31.83 22.17 0.11 1.25 0.00 22.24 0.83 51 T E E 43.53 12.32 18.31 31.20 125.64 107.11 -118.94 142.95 23.75 75.98 0.27 17.20 5.37 1.24 0.04 0.24 0.00 75.48 0.43 52 V E E 37.88 14.25 20.20 35.07 118.66 -142.19 -106.01 130.26 4.50 95.47 0.03 4.05 0.24 0.03 0.01 0.02 0.00 95.55 0.11 53 V E E 13.62 19.19 19.68 39.28 120.53 -163.34 -113.41 129.33 1.22 98.77 0.01 1.09 0.06 0.01 0.00 0.00 0.00 98.79 0.04 54 L E E 52.10 10.82 23.42 34.87 118.48 -150.10 -104.90 130.33 2.03 97.94 0.02 1.84 0.13 0.02 0.01 0.01 0.00 97.80 0.18 55 C E E 11.66 19.65 13.64 33.81 113.78 -127.58 -77.63 135.53 30.77 69.12 0.11 29.12 1.04 0.20 0.02 0.07 0.00 68.52 1.03 56 V C T 78.23 8.87 18.02 27.39 108.00 -117.92 -67.65 128.65 94.35 4.65 1.00 2.50 15.97 76.01 0.04 1.00 0.00 4.11 0.37 57 G C T 56.69 2.33 18.34 20.67 98.54 19.45 83.96 -2.24 97.46 1.67 0.87 1.66 18.69 77.23 0.03 0.89 0.00 1.29 0.22 58 C C S 43.80 12.74 11.49 24.43 131.22 64.71 -128.62 159.43 93.05 5.67 1.29 20.96 43.82 28.33 0.09 1.54 0.00 4.03 1.23 59 S C S 86.55 2.85 18.18 21.74 95.00 -136.79 -84.70 -0.56 94.33 5.16 0.51 24.32 56.65 13.17 0.06 0.55 0.00 4.70 0.55 60 T C C 56.65 9.01 17.96 28.03 118.66 107.93 -86.51 140.03 63.32 36.42 0.26 38.07 22.94 2.45 0.03 0.27 0.00 35.10 1.13 61 V E E 44.92 15.10 18.26 33.62 111.76 -130.09 -87.20 125.34 4.74 95.22 0.04 4.54 0.26 0.05 0.01 0.03 0.00 94.20 0.91 62 L E E 21.91 17.83 20.87 38.76 99.53 -164.40 -90.66 -25.42 4.39 95.58 0.03 3.07 1.03 0.14 0.00 0.02 0.00 95.67 0.06 63 C E E 9.75 20.61 17.34 38.15 138.37 12.45 -145.50 152.32 0.91 99.08 0.01 0.81 0.07 0.02 0.00 0.01 0.00 99.05 0.04 64 Q E E 82.18 7.35 23.31 31.24 124.73 -156.05 -123.77 137.75 1.03 98.97 0.00 0.97 0.03 0.00 0.00 0.00 0.00 98.97 0.02 65 P E E 52.91 14.96 12.23 27.05 113.22 -112.33 -69.72 139.10 4.45 95.53 0.01 4.03 0.16 0.01 0.00 0.01 0.00 95.66 0.12 66 T E E 75.71 5.10 13.11 20.19 122.01 171.67 -135.15 123.80 15.09 84.64 0.26 11.22 3.51 0.99 0.06 0.24 0.00 81.69 2.28 67 G C T 68.16 0.52 13.77 12.43 94.28 -16.14 57.67 31.36 99.05 0.37 0.58 0.60 11.13 87.29 0.01 0.66 0.00 0.26 0.05 68 G C T 55.00 3.80 12.59 17.66 95.69 -48.19 81.81 2.28 99.24 0.16 0.59 0.78 11.90 86.51 0.02 0.65 0.00 0.11 0.03 69 K E E 119.28 2.98 17.03 21.22 127.37 94.07 -119.17 146.26 12.57 87.31 0.13 8.57 4.21 0.49 0.04 0.09 0.00 85.25 1.36 70 A E E 25.95 18.96 11.06 29.41 115.72 -121.15 -79.35 136.17 7.02 92.95 0.03 6.39 0.31 0.03 0.01 0.01 0.00 93.09 0.15 71 R E E 113.70 5.16 21.80 27.77 128.02 -171.86 -126.50 143.89 5.31 94.65 0.05 4.80 0.30 0.05 0.01 0.02 0.00 94.62 0.20 72 L E E 64.44 15.83 12.72 28.14 113.37 -113.68 -76.34 134.52 14.43 85.45 0.12 13.75 0.61 0.10 0.06 0.06 0.00 83.05 2.38 73 T C C 57.44 8.80 14.03 24.16 118.77 -138.12 -87.79 152.61 79.60 18.76 1.64 70.70 5.62 2.38 0.30 1.42 0.00 18.24 1.34 74 E C T 157.07 1.53 14.75 16.72 110.03 -84.14 -65.36 135.92 85.88 9.93 4.19 8.63 16.45 61.01 0.54 3.81 0.00 8.39 1.17 75 G C T 59.19 1.61 15.68 17.26 96.87 20.96 83.91 -1.06 90.20 5.83 3.97 13.70 17.13 59.33 0.52 3.67 0.00 4.95 0.69 76 C C C 35.70 16.62 9.04 24.84 114.35 131.09 -86.03 135.54 87.15 8.67 4.18 70.14 12.25 4.37 1.05 3.52 0.00 6.30 2.36 77 S C C 62.61 6.32 16.25 23.67 119.87 -166.50 -110.88 140.88 77.75 17.15 5.11 57.71 13.64 5.72 2.08 3.33 0.00 12.07 5.44 78 F C C 99.44 11.42 12.05 23.93 119.91 -165.54 -109.87 138.22 72.68 20.16 7.16 50.24 15.28 7.19 2.80 4.71 0.02 15.63 4.12 79 R C C 140.92 4.86 12.84 19.51 120.05 -159.34 -106.06 138.41 70.37 22.77 6.86 56.92 8.18 4.42 3.13 4.08 0.02 18.35 4.92 80 R C C 147.53 5.20 10.07 17.23 115.60 -134.08 -89.45 137.27 71.99 19.28 8.73 55.87 8.66 6.53 3.63 5.44 0.02 14.37 5.48 81 K C C 136.93 4.09 8.51 14.47 113.47 -130.09 -85.86 133.51 84.36 8.21 7.44 60.36 14.17 9.69 2.26 5.27 0.00 6.19 2.06 82 Q C C 140.12 1.95 8.29 11.93 111.16 -140.28 -89.11 125.23 92.58 3.69 3.73 84.01 2.32 6.81 1.14 1.96 0.00 2.61 1.15 83 H C C 145.34 2.64 9.58 13.88 107.39 -138.97 -90.56 84.38 99.93 0.05 0.02 99.78 0.10 0.08 0.01 0.00 0.00 0.03 0.01