# 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 101.93 7.75 16.23 24.95 119.13 -132.27 -92.31 140.03 99.96 0.04 0.00 99.86 0.12 0.01 0.00 0.00 0.00 0.01 0.00 1 P C C 53.90 14.07 11.59 25.67 115.70 -106.85 -67.38 149.27 97.51 1.33 1.16 96.31 0.44 1.39 0.33 0.44 0.00 0.72 0.37 2 K C C 124.51 5.27 16.76 23.29 115.66 -129.22 -90.11 140.71 82.30 14.23 3.47 56.64 21.11 4.77 0.92 2.69 0.00 10.22 3.63 3 E C C 106.60 8.34 16.81 26.04 115.21 -107.90 -83.42 136.33 70.20 25.52 4.28 57.69 8.79 2.94 1.34 3.20 0.00 19.01 7.04 4 I C C 23.31 18.91 10.85 29.64 118.58 -154.01 -109.23 129.26 78.62 18.02 3.35 75.67 2.62 1.02 1.77 1.44 0.00 13.08 4.39 5 R C C 162.11 3.13 19.29 23.29 99.48 -173.93 -95.48 -20.22 95.76 1.87 2.37 55.82 38.25 2.14 1.22 0.95 0.00 1.06 0.56 6 D C S 73.13 4.57 21.26 26.16 120.48 51.42 -116.95 131.69 92.57 3.32 4.11 42.38 48.94 1.34 3.62 0.58 0.00 0.84 2.29 7 I H H 30.70 21.27 12.58 33.39 92.34 -142.57 -60.75 -37.78 3.59 0.02 96.39 0.60 0.56 2.31 94.21 2.29 0.01 0.01 0.01 8 K H H 123.51 4.49 20.16 25.76 91.12 57.51 -62.33 -39.81 1.89 0.01 98.10 0.19 0.15 1.43 95.32 2.91 0.01 0.00 0.00 9 Q H H 81.71 5.51 21.34 27.25 91.53 50.14 -66.06 -39.72 0.79 0.01 99.20 0.11 0.07 0.55 95.88 3.37 0.00 0.01 0.00 10 F H H 5.86 24.54 15.66 40.45 91.35 51.65 -63.54 -43.67 0.49 0.01 99.50 0.10 0.05 0.30 98.73 0.82 0.00 0.01 0.00 11 L H H 35.25 17.24 20.02 36.62 91.88 50.40 -64.01 -41.40 0.59 0.03 99.39 0.12 0.06 0.38 98.32 1.09 0.00 0.02 0.00 12 V H H 87.03 2.75 24.98 26.74 91.89 50.44 -64.80 -41.95 1.08 0.02 98.90 0.14 0.07 0.81 97.85 1.10 0.01 0.02 0.00 13 I H H 35.43 13.15 20.40 34.06 92.58 48.95 -66.35 -40.00 2.75 0.03 97.22 0.13 0.19 2.45 96.44 0.76 0.02 0.01 0.01 14 C H H 7.03 23.52 14.50 38.01 92.21 55.66 -70.35 -25.27 29.18 0.28 70.54 2.78 2.61 23.38 69.55 1.36 0.06 0.11 0.15 15 G C T 41.05 8.03 20.20 28.68 92.79 64.24 -80.95 -10.13 81.95 0.54 17.50 16.51 8.11 56.24 16.34 2.26 0.00 0.24 0.30 16 R C S 96.45 9.32 13.82 24.62 115.51 105.08 -77.27 142.83 92.70 2.70 4.59 21.68 65.02 5.25 3.57 0.98 0.01 0.75 2.74 17 K C T 163.27 1.71 16.37 18.71 93.44 -118.96 -65.18 -28.63 96.70 0.35 2.94 1.49 9.73 85.93 0.78 1.67 0.01 0.19 0.19 18 D C T 94.33 5.09 16.96 22.86 95.77 50.14 -88.70 1.30 98.64 0.20 1.15 3.00 7.47 88.20 0.27 0.85 0.00 0.12 0.08 19 C C C 17.13 21.60 8.90 29.31 115.75 111.46 -79.60 135.02 80.99 17.28 1.74 76.46 4.11 0.94 0.70 1.07 0.00 15.09 1.63 20 K C C 137.05 2.95 21.80 25.16 99.78 -174.72 -95.97 -25.75 75.16 22.67 2.17 49.65 23.90 1.92 1.31 0.88 0.00 21.68 0.66 21 S E E 37.94 8.05 23.54 32.49 142.91 1.01 -159.55 158.33 19.39 78.04 2.57 14.54 3.62 1.37 1.33 1.14 0.00 77.55 0.45 22 V E E 19.25 23.95 13.90 37.73 129.86 -164.46 -138.42 138.98 6.60 91.12 2.27 5.63 0.63 0.39 1.45 0.66 0.00 91.00 0.23 23 K E E 90.70 6.90 25.94 33.55 123.41 -165.96 -122.14 132.93 3.71 94.23 2.07 3.04 0.40 0.40 1.50 0.45 0.00 93.98 0.21 24 I E E 30.35 21.69 14.65 36.26 119.14 -154.98 -107.03 129.04 7.57 90.55 1.88 6.61 0.60 0.38 1.27 0.45 0.00 90.43 0.25 25 K E E 91.06 6.86 21.25 28.67 121.36 -165.19 -111.40 135.38 19.03 79.69 1.28 16.89 1.47 0.57 0.65 0.50 0.00 79.40 0.53 26 K E E 113.67 10.35 13.17 24.32 117.55 -142.60 -95.42 131.76 40.52 58.26 1.21 31.29 8.17 1.78 0.42 0.74 0.00 56.49 1.11 27 N C C 72.60 6.03 12.78 20.42 124.92 173.69 -124.28 147.45 71.04 28.17 0.79 56.00 11.79 2.46 0.18 0.70 0.00 26.99 1.87 28 V C T 128.52 1.45 13.37 15.16 105.38 -90.74 -65.08 117.60 91.40 6.11 2.49 18.69 26.11 46.84 0.24 2.42 0.00 4.86 0.84 29 G C T 55.71 2.72 14.70 17.80 98.55 14.28 81.66 -2.13 95.97 2.01 2.02 13.18 29.13 53.47 0.13 2.18 0.00 1.59 0.32 30 N C S 59.81 9.89 14.38 25.35 130.28 54.49 -134.41 149.63 73.15 25.23 1.62 24.30 33.65 16.22 0.13 1.66 0.00 22.58 1.45 31 T E E 28.06 15.77 15.12 31.77 117.53 -141.86 -104.99 129.99 34.45 65.41 0.13 28.92 3.58 0.61 0.02 0.11 0.00 66.20 0.56 32 K E E 63.53 11.21 22.14 33.80 124.33 -159.14 -116.84 140.77 6.44 93.55 0.01 5.49 0.67 0.03 0.00 0.00 0.00 93.67 0.14 33 F E E 12.37 22.09 17.42 39.65 128.12 -169.50 -125.28 143.60 0.81 99.19 0.00 0.72 0.02 0.00 0.00 0.00 0.00 99.24 0.01 34 K E E 65.52 10.28 25.19 35.97 119.44 -146.96 -108.33 131.03 0.29 99.71 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.72 0.00 35 V E E 6.22 23.38 16.90 40.78 124.45 -169.83 -120.17 135.70 0.27 99.73 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.74 0.00 36 R E E 96.10 8.09 22.73 31.32 117.04 -152.28 -105.32 127.05 2.62 97.37 0.01 2.33 0.16 0.01 0.00 0.00 0.00 97.39 0.10 37 T C C 22.00 16.05 12.72 29.07 129.26 175.18 -123.14 172.25 73.04 26.93 0.03 70.40 1.44 0.09 0.00 0.02 0.00 27.66 0.39 38 K C S 151.81 2.32 16.76 19.49 94.16 -89.12 -63.57 -35.41 99.63 0.27 0.10 1.50 79.37 18.83 0.00 0.09 0.00 0.17 0.04 39 T C S 94.04 3.35 15.99 20.07 103.56 16.63 -108.62 -16.27 99.54 0.37 0.09 1.16 77.15 21.30 0.00 0.08 0.00 0.26 0.04 40 Y E E 80.27 9.54 16.12 27.00 137.08 23.88 -144.71 153.35 31.25 68.73 0.02 25.46 4.46 0.16 0.00 0.02 0.00 69.41 0.48 41 L E E 52.05 13.71 17.52 31.86 120.23 -139.80 -112.21 130.65 1.67 98.32 0.00 1.62 0.04 0.00 0.00 0.00 0.00 98.28 0.05 42 Y E E 27.52 17.26 19.51 37.27 128.62 -172.94 -124.35 144.63 0.40 99.60 0.00 0.36 0.01 0.00 0.00 0.00 0.00 99.63 0.00 43 T E E 29.79 13.94 23.44 37.85 121.64 -153.88 -112.03 133.05 0.14 99.86 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.87 0.00 44 L E E 7.30 23.26 20.08 43.48 121.14 -163.22 -114.03 129.68 0.07 99.93 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.92 0.00 45 V E E 34.97 11.29 25.70 38.01 117.26 -154.07 -105.71 125.79 0.30 99.70 0.00 0.28 0.00 0.00 0.00 0.00 0.00 99.71 0.01 46 V E E 8.67 22.10 13.96 36.51 121.72 -163.02 -109.31 135.92 12.74 87.26 0.01 12.74 0.22 0.01 0.00 0.00 0.00 86.61 0.42 47 K C S 131.33 4.05 20.79 25.70 97.02 -162.82 -87.08 -19.68 97.52 2.45 0.03 13.89 83.06 0.65 0.00 0.02 0.00 2.29 0.09 48 D C C 71.35 5.12 18.26 24.33 115.60 56.32 -113.11 117.63 98.79 0.79 0.42 65.18 32.47 1.29 0.24 0.14 0.00 0.35 0.33 49 H H H 100.86 11.24 13.09 25.13 93.37 -153.74 -63.04 -35.70 5.16 0.02 94.82 1.09 1.09 2.91 93.24 1.64 0.01 0.00 0.01 50 K H H 145.33 1.11 20.36 19.52 91.52 54.55 -63.65 -41.12 2.95 0.01 97.04 0.31 0.36 2.21 95.01 2.08 0.02 0.00 0.00 51 K H H 78.08 7.80 18.51 27.31 92.14 47.20 -66.56 -39.59 1.89 0.01 98.11 0.28 0.19 1.30 95.82 2.39 0.01 0.00 0.00 52 S H H 4.23 22.69 12.05 34.97 91.14 52.37 -62.89 -42.62 1.36 0.00 98.63 0.31 0.14 0.79 97.89 0.86 0.00 0.00 0.00 53 E H H 95.73 4.83 21.85 26.99 91.25 51.23 -63.52 -40.88 0.73 0.00 99.27 0.09 0.03 0.48 98.54 0.84 0.00 0.00 0.00 54 K H H 112.31 2.35 23.12 24.17 91.54 50.46 -64.14 -42.16 0.59 0.00 99.41 0.05 0.03 0.42 97.99 1.51 0.00 0.00 0.00 55 I H H 10.98 20.47 15.95 36.66 91.74 49.55 -64.32 -42.39 0.56 0.00 99.44 0.07 0.03 0.38 97.98 1.55 0.00 0.00 0.00 56 Q H H 58.78 17.08 16.87 33.07 91.08 53.90 -62.47 -37.03 1.74 0.00 98.26 0.13 0.08 1.41 95.47 2.89 0.00 0.00 0.00 57 Q H H 138.52 1.36 21.26 21.40 91.12 54.77 -70.17 -23.31 29.69 0.01 70.30 0.28 0.45 30.82 65.65 2.77 0.01 0.00 0.01 58 S C T 59.17 7.24 18.16 26.24 94.12 54.76 -88.75 -7.94 62.00 0.03 37.97 0.88 1.63 59.45 35.33 2.67 0.00 0.01 0.03 59 I C S 16.93 23.47 9.19 31.65 118.09 101.81 -79.06 137.86 99.66 0.26 0.08 11.98 87.59 0.14 0.05 0.01 0.00 0.04 0.19 60 P C C 45.69 7.97 16.93 26.76 115.20 -105.60 -64.12 149.12 99.90 0.07 0.03 99.03 0.75 0.14 0.01 0.01 0.00 0.02 0.04 61 P C T 97.40 5.26 14.97 21.53 96.79 -100.93 -61.33 -23.96 99.28 0.10 0.62 1.07 4.62 93.63 0.05 0.54 0.00 0.06 0.04 62 N C T 121.87 2.10 17.65 20.03 94.13 49.77 -80.44 3.61 98.98 0.28 0.74 1.36 4.24 93.36 0.05 0.73 0.00 0.23 0.04 63 I C C 28.49 20.17 8.86 28.08 118.47 111.34 -91.25 136.87 81.27 18.13 0.59 56.05 24.11 1.30 0.06 0.59 0.00 16.99 0.89 64 T E E 84.59 3.30 22.43 25.70 117.63 -141.33 -97.08 133.94 22.63 77.17 0.20 21.66 0.82 0.23 0.04 0.13 0.00 76.65 0.47 65 K E E 70.38 19.81 11.63 30.06 124.39 -164.20 -117.50 136.22 7.26 92.71 0.03 6.63 0.47 0.05 0.01 0.02 0.00 92.63 0.20 66 E E E 96.34 5.59 20.32 26.88 123.92 -170.95 -122.07 136.54 2.48 97.50 0.02 2.32 0.09 0.01 0.00 0.01 0.00 97.48 0.08 67 V E E 79.63 10.51 15.95 27.24 114.42 -130.40 -88.33 128.23 5.73 94.24 0.03 5.56 0.17 0.02 0.01 0.01 0.00 93.92 0.30 68 I C C 55.45 12.84 13.36 26.82 108.67 -173.00 -98.20 56.54 62.84 35.55 1.60 54.05 5.00 1.66 0.44 1.03 0.00 37.05 0.77 69 G C C 38.96 5.77 16.06 22.83 121.25 -81.72 95.69 119.89 84.20 12.43 3.36 59.41 17.78 6.64 0.88 2.48 0.00 11.76 1.05 70 K C C 132.07 5.69 13.49 20.73 110.61 -77.45 -91.67 121.87 77.93 4.95 17.12 39.79 23.15 16.05 6.63 9.83 0.02 2.91 1.61 71 G C C 41.54 6.38 12.58 20.23 116.61 69.12 37.45 -172.05 74.94 2.78 22.28 35.66 21.74 18.40 8.76 12.71 0.02 1.41 1.29 72 R C C 160.89 3.40 13.64 18.28 109.25 -37.41 -88.66 100.66 70.04 2.93 27.04 44.49 14.91 10.61 13.13 13.97 0.01 1.55 1.33 73 R C C 129.17 7.17 10.78 19.33 112.01 100.28 -81.93 130.78 67.52 3.45 29.03 47.03 10.44 9.64 16.97 12.50 0.01 1.97 1.44 74 K C C 133.86 4.22 12.24 18.11 109.36 -144.11 -88.51 118.14 68.21 3.83 27.95 45.86 11.24 10.74 17.16 11.21 0.01 2.20 1.57 75 V C C 88.05 6.56 10.28 18.27 110.77 -155.46 -92.18 119.46 72.16 3.95 23.89 45.42 14.17 12.41 15.66 8.50 0.01 2.28 1.54 76 T C C 91.43 4.39 10.54 16.63 112.31 74.57 -96.86 114.15 77.99 3.68 18.33 48.55 18.20 11.15 12.54 6.00 0.01 2.03 1.51 77 K C C 127.23 4.12 10.06 16.04 115.77 -136.13 -96.45 136.43 81.49 3.70 14.81 49.78 26.47 5.28 10.72 4.33 0.01 1.98 1.44 78 P C C 92.33 3.98 10.26 15.98 110.53 -113.96 -73.16 143.71 71.66 5.00 23.34 51.81 8.94 10.77 13.07 10.40 0.00 3.34 1.66 79 A C C 78.08 3.81 8.34 13.92 106.65 -116.01 -80.39 90.43 71.64 4.75 23.61 44.61 12.40 15.03 11.72 11.55 0.01 2.93 1.75 80 A C C 84.54 2.41 8.17 12.28 107.69 -110.10 -83.67 104.40 79.06 3.47 17.47 66.04 3.06 11.25 8.40 7.54 0.00 2.27 1.44 81 K C C 151.01 2.51 10.72 14.82 107.96 -136.51 -85.31 106.48 99.83 0.08 0.09 99.63 0.13 0.14 0.04 0.01 0.00 0.04 0.01