# 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 116.58 6.18 11.68 19.21 113.67 -169.90 -96.87 127.89 99.92 0.07 0.01 99.88 0.06 0.02 0.00 0.00 0.00 0.03 0.01 1 G C C 47.46 3.71 11.32 16.56 120.86 -154.70 -112.07 174.56 92.52 3.22 4.27 87.56 1.19 4.43 2.56 1.10 0.00 1.92 1.25 2 F C C 155.17 2.87 9.56 13.92 112.26 -100.24 -92.57 127.51 78.03 9.62 12.35 49.53 16.08 12.05 8.30 4.42 0.02 5.72 3.88 3 F C C 125.23 6.03 8.73 16.14 112.77 -155.42 -94.00 123.96 73.91 9.68 16.41 51.33 13.66 8.29 11.94 5.15 0.02 6.08 3.53 4 D C C 86.82 4.84 11.32 17.60 110.81 -144.44 -88.79 123.13 73.26 4.87 21.87 60.84 6.82 5.12 17.61 4.84 0.00 2.95 1.81 5 A H H 67.36 5.59 10.99 18.02 97.65 -132.56 -69.28 -27.64 31.44 1.69 66.88 12.83 6.24 12.12 43.07 24.01 0.12 1.01 0.60 6 D H H 97.52 4.02 12.44 17.86 97.04 60.41 -76.81 -16.29 27.42 1.32 71.26 9.60 4.50 12.14 44.21 28.20 0.09 0.83 0.43 7 L H H 93.88 6.31 11.97 19.54 98.29 60.16 -79.63 -14.53 29.48 1.42 69.11 8.10 5.29 14.69 42.76 27.61 0.18 0.86 0.52 8 S H H 60.22 7.28 13.21 21.52 100.36 58.10 -89.38 -6.69 48.17 3.25 48.59 12.68 14.61 22.88 31.98 13.77 0.68 1.45 1.96 9 Y C S 116.74 7.40 12.72 21.57 114.31 76.11 -108.17 112.89 98.14 1.53 0.33 31.30 66.57 0.60 0.20 0.09 0.00 0.52 0.73 10 P C C 50.58 9.69 10.85 22.05 117.27 -129.38 -70.64 152.45 97.37 2.24 0.39 91.31 5.59 0.39 0.27 0.09 0.00 0.77 1.58 11 T C C 71.92 2.90 15.38 18.68 116.45 -106.91 -72.59 156.56 98.14 1.11 0.75 96.52 1.51 0.20 0.66 0.07 0.00 0.29 0.76 12 V H H 95.45 4.51 11.23 17.51 92.50 -108.82 -58.51 -38.26 4.12 0.04 95.83 1.47 0.80 1.88 95.12 0.69 0.00 0.02 0.02 13 R H H 159.39 1.14 13.98 14.49 92.13 52.48 -65.08 -40.04 2.72 0.06 97.22 0.88 0.36 1.52 96.27 0.91 0.00 0.04 0.01 14 T H H 68.78 2.58 13.62 16.95 92.38 48.42 -66.14 -40.32 1.80 0.07 98.13 0.73 0.24 0.90 96.98 1.08 0.00 0.06 0.01 15 E H H 71.58 6.42 11.91 20.23 92.32 51.35 -64.66 -41.04 1.52 0.06 98.43 0.62 0.19 0.73 97.80 0.62 0.00 0.03 0.01 16 R H H 124.96 3.19 14.63 18.69 92.11 50.97 -64.69 -40.50 2.57 0.07 97.36 0.81 0.26 1.41 96.88 0.59 0.00 0.04 0.01 17 M H H 102.51 1.91 15.53 17.15 92.20 50.19 -65.28 -40.85 4.53 0.07 95.40 1.06 0.45 2.80 94.88 0.74 0.01 0.04 0.02 18 K H H 103.16 3.64 15.23 19.75 92.70 50.22 -66.29 -39.67 10.80 0.14 89.06 2.70 1.27 6.55 88.28 1.06 0.01 0.06 0.06 19 H H H 75.98 7.13 12.77 21.52 93.15 51.06 -66.95 -38.81 25.52 0.45 74.03 9.88 3.37 12.08 72.23 2.02 0.03 0.20 0.20 20 K H H 119.40 3.55 15.08 19.54 93.13 54.02 -66.21 -37.68 32.87 1.02 66.10 17.28 4.22 11.89 62.31 3.37 0.02 0.50 0.42 21 R H H 144.43 2.82 14.98 18.47 93.87 52.37 -68.58 -34.60 34.45 1.49 64.06 16.76 5.62 13.04 57.92 5.25 0.04 0.83 0.53 22 R H H 123.53 6.26 13.91 21.24 96.07 53.51 -73.91 -27.00 41.14 2.47 56.39 21.60 6.77 13.76 49.24 6.26 0.06 1.49 0.81 23 R C H 126.12 6.70 14.17 21.94 100.27 69.99 -76.71 -14.70 48.58 4.35 47.07 27.14 8.32 14.09 39.97 6.33 0.07 2.79 1.31 24 L C C 88.81 7.30 13.80 22.09 101.81 60.62 -80.66 -9.49 53.86 7.89 38.25 31.60 10.96 12.61 31.32 6.07 0.11 4.62 2.70 25 V C C 78.87 7.51 12.59 21.30 105.81 68.61 -85.94 22.93 66.57 5.76 27.67 35.62 14.00 17.12 23.09 4.80 0.08 3.25 2.03 26 Q C C 119.13 4.43 13.52 19.23 104.93 67.57 -87.01 31.76 81.18 3.35 15.48 39.01 20.64 21.87 10.60 4.66 0.03 1.77 1.41 27 G C C 30.04 6.96 13.08 21.43 128.62 72.03 -136.80 169.09 96.21 2.23 1.56 54.84 38.33 3.09 0.62 0.78 0.00 0.87 1.47 28 P C T 100.12 3.69 13.76 18.60 97.90 -78.70 -68.59 -17.68 95.64 0.47 3.89 8.84 11.66 74.65 0.38 3.96 0.00 0.29 0.22 29 N C T 105.33 4.68 15.01 20.86 100.62 47.79 -90.13 17.17 96.13 1.18 2.70 10.66 11.30 73.81 0.27 2.81 0.00 0.85 0.30 30 S C C 32.85 13.68 12.49 26.81 120.13 116.45 -96.43 142.13 81.81 15.40 2.79 61.59 14.54 5.52 0.46 2.74 0.00 12.96 2.18 31 Y C C 93.33 10.02 18.68 29.25 123.77 -166.01 -120.40 143.89 65.31 34.14 0.55 45.57 17.45 2.30 0.10 0.53 0.00 32.65 1.39 32 F E E 76.12 14.48 17.00 31.25 123.58 -142.38 -112.79 138.21 18.83 81.05 0.12 16.15 1.99 0.28 0.02 0.10 0.00 80.76 0.69 33 M E E 47.46 13.48 17.91 32.08 126.79 -171.11 -125.29 145.29 3.82 96.17 0.01 3.39 0.27 0.02 0.00 0.01 0.00 96.16 0.15 34 D E E 80.51 8.14 21.01 29.54 112.87 -129.48 -89.60 124.55 1.47 98.52 0.00 1.27 0.10 0.01 0.00 0.00 0.00 98.60 0.02 35 V E E 19.39 18.69 15.17 34.08 127.93 -175.19 -127.63 140.89 2.13 97.86 0.00 1.93 0.08 0.00 0.00 0.00 0.00 97.94 0.05 36 S E E 57.23 5.70 22.50 28.43 117.40 -135.95 -97.12 134.24 7.37 92.62 0.01 6.78 0.38 0.02 0.00 0.01 0.00 92.04 0.78 37 C C C 9.48 20.58 10.41 31.26 109.09 -123.72 -80.32 118.86 84.83 15.14 0.03 83.97 1.08 0.09 0.00 0.02 0.00 14.29 0.54 38 P C T 82.67 4.44 17.86 23.35 93.72 -146.97 -65.26 -27.49 96.48 0.35 3.17 1.06 7.98 86.70 0.06 3.88 0.00 0.22 0.09 39 R C T 145.54 3.82 16.14 20.80 98.51 42.17 -82.08 -37.43 96.51 0.17 3.32 0.31 5.23 90.62 0.04 3.66 0.00 0.09 0.05 40 C C T 53.12 8.03 12.91 22.42 105.74 20.83 -110.67 -8.12 95.70 1.15 3.15 2.67 12.19 80.09 0.08 3.90 0.00 0.84 0.24 41 R C C 156.62 4.24 15.13 20.95 95.32 -126.91 63.93 16.12 91.53 7.68 0.79 51.15 20.52 19.81 0.12 0.81 0.00 6.58 1.00 42 Q C C 85.74 6.29 16.48 24.07 120.71 127.00 -92.79 146.50 61.57 38.26 0.18 47.87 11.62 1.27 0.03 0.18 0.00 37.89 1.14 43 V E E 58.69 12.70 16.09 29.40 116.98 -129.93 -97.86 129.67 7.40 92.60 0.01 6.96 0.31 0.02 0.00 0.00 0.00 92.50 0.20 44 T E E 31.86 14.14 18.13 32.91 127.62 -175.42 -122.35 147.90 0.94 99.06 0.00 0.80 0.03 0.00 0.00 0.00 0.00 99.16 0.01 45 V E E 49.14 12.75 21.33 34.53 119.91 -135.41 -105.96 131.29 0.26 99.74 0.00 0.24 0.00 0.00 0.00 0.00 0.00 99.76 0.00 46 V E E 19.63 18.62 19.00 37.76 120.54 -164.37 -111.91 130.08 1.02 98.98 0.00 0.91 0.03 0.00 0.00 0.00 0.00 99.05 0.02 47 Y E E 58.81 13.34 20.27 34.12 121.77 -163.94 -113.66 133.95 7.19 92.78 0.03 6.14 0.54 0.08 0.01 0.02 0.00 92.97 0.24 48 S E E 35.46 13.54 16.96 30.72 121.99 -165.97 -113.27 152.85 46.87 52.11 1.02 25.29 15.14 7.07 0.12 0.91 0.00 50.83 0.65 49 H C S 117.45 6.46 19.20 25.90 101.00 -59.40 -80.10 27.01 80.83 17.05 2.12 27.89 31.32 21.99 0.22 2.06 0.00 15.24 1.28 50 A C S 39.38 12.35 14.07 26.89 118.04 86.12 -99.11 148.05 91.80 5.32 2.88 31.27 35.10 25.60 0.28 2.93 0.00 3.98 0.83 51 T C S 79.47 8.08 18.06 26.55 103.95 -130.91 -90.21 7.01 87.03 11.28 1.70 23.73 40.26 22.96 0.16 1.67 0.00 10.44 0.78 52 T E E 54.03 11.22 19.01 30.49 123.57 80.34 -112.48 138.63 44.85 54.33 0.82 24.29 16.46 4.43 0.10 0.80 0.00 53.11 0.81 53 S E E 27.91 14.18 20.52 34.95 120.84 -121.16 -100.85 140.65 13.47 86.46 0.07 12.15 0.81 0.10 0.01 0.04 0.00 86.50 0.38 54 V E E 11.27 20.93 19.35 40.41 121.29 -159.87 -115.49 131.54 2.36 97.62 0.02 2.08 0.16 0.02 0.01 0.01 0.00 97.58 0.15 55 E E E 61.98 11.03 24.45 35.76 122.53 -159.16 -109.89 136.54 3.33 96.64 0.03 3.06 0.21 0.03 0.01 0.01 0.00 96.09 0.59 56 C E E 10.14 20.69 13.75 34.90 113.28 -119.53 -73.76 135.97 47.12 52.74 0.14 44.71 1.46 0.26 0.03 0.10 0.00 51.97 1.47 57 K C T 106.96 8.88 18.41 27.72 106.75 -113.79 -65.60 127.72 97.23 1.44 1.33 1.26 10.30 85.67 0.06 1.36 0.00 1.11 0.24 58 G C T 55.15 2.73 18.07 21.05 98.29 20.94 81.49 -4.14 98.20 0.61 1.19 0.88 10.05 87.22 0.03 1.27 0.00 0.41 0.14 59 C C T 45.87 12.22 11.75 24.25 126.00 52.55 -125.23 152.46 94.44 3.86 1.71 14.50 27.47 52.36 0.11 2.05 0.00 2.65 0.86 60 S C C 86.85 2.96 17.49 21.43 94.98 -141.40 -82.31 0.88 95.50 3.98 0.52 53.30 30.83 11.23 0.08 0.56 0.00 3.29 0.70 61 K C C 99.42 6.48 17.87 25.76 118.73 117.49 -84.09 143.49 78.43 21.29 0.28 49.34 26.90 2.27 0.04 0.29 0.00 19.56 1.60 62 K E E 85.61 12.82 18.67 31.56 111.02 -115.92 -76.54 126.95 6.52 93.45 0.03 6.24 0.35 0.04 0.01 0.02 0.00 91.08 2.26 63 L E E 14.71 20.51 18.99 39.65 99.18 176.63 -90.49 -27.43 9.58 90.41 0.01 4.91 4.40 0.18 0.00 0.01 0.00 90.43 0.08 64 C E E 7.68 21.78 16.99 39.09 138.89 8.72 -147.89 152.30 0.81 99.19 0.00 0.64 0.08 0.00 0.00 0.00 0.00 99.26 0.02 65 R E E 117.30 5.97 23.88 30.65 125.61 -161.50 -126.17 138.78 0.76 99.24 0.00 0.69 0.02 0.00 0.00 0.00 0.00 99.28 0.01 66 P E E 52.98 15.92 11.96 27.44 113.30 -110.90 -69.76 138.56 3.59 96.40 0.00 3.26 0.11 0.01 0.00 0.00 0.00 96.57 0.06 67 T E E 76.05 4.94 13.59 20.48 121.63 173.24 -135.78 123.92 13.89 85.89 0.21 10.30 3.23 0.84 0.05 0.20 0.00 83.23 2.15 68 G C T 68.38 0.46 14.17 12.61 94.57 -17.51 57.76 31.36 99.08 0.38 0.53 0.49 10.89 87.65 0.01 0.65 0.00 0.26 0.05 69 G C T 52.55 4.79 12.93 18.89 95.07 -47.80 82.24 2.53 99.31 0.16 0.53 0.65 11.46 87.11 0.01 0.64 0.00 0.10 0.02 70 K E E 113.22 3.80 17.86 22.99 128.33 94.25 -120.72 146.60 11.90 88.03 0.07 7.78 4.00 0.68 0.01 0.06 0.00 86.43 1.04 71 A E E 19.44 20.44 11.81 31.84 115.34 -122.00 -82.25 135.26 5.44 94.55 0.01 4.93 0.19 0.01 0.00 0.00 0.00 94.77 0.09 72 L E E 73.14 6.62 22.96 30.02 124.65 -170.13 -120.59 140.95 3.11 96.88 0.01 2.81 0.14 0.02 0.00 0.00 0.00 96.94 0.09 73 L E E 59.82 16.59 13.97 30.09 113.49 -115.33 -77.69 133.09 7.38 92.59 0.03 7.16 0.25 0.03 0.01 0.02 0.00 90.91 1.61 74 V C C 54.91 10.34 14.68 26.25 119.16 -149.70 -96.32 146.40 68.71 30.09 1.20 60.78 5.06 1.82 0.22 1.05 0.00 29.62 1.45 75 E C T 153.14 1.92 15.84 18.36 110.61 -86.30 -64.75 135.69 80.06 17.14 2.80 7.93 15.58 57.36 0.26 2.79 0.00 14.72 1.34 76 G C T 58.70 1.73 16.52 18.25 96.25 20.66 83.53 -1.21 89.22 8.23 2.54 13.43 18.12 57.61 0.22 2.65 0.00 7.29 0.67 77 C C C 32.92 17.47 9.77 26.36 114.96 132.31 -84.39 137.08 86.80 10.37 2.83 68.06 13.26 5.02 0.50 2.80 0.00 7.96 2.40 78 G C C 37.14 7.62 17.70 25.95 123.54 -154.75 -112.44 151.27 79.16 18.69 2.15 57.75 15.00 5.97 0.52 2.00 0.00 14.10 4.64 79 Y C C 97.10 14.13 13.02 26.90 125.38 -165.85 -118.76 141.98 73.34 24.86 1.80 53.09 15.47 4.66 0.39 1.73 0.00 21.12 3.52 80 R C C 131.86 5.80 15.85 23.18 123.59 -163.16 -116.71 141.12 62.18 36.79 1.04 52.77 6.49 1.75 0.34 0.86 0.00 29.79 7.99 81 R C C 135.52 7.60 11.85 20.98 117.57 -129.60 -88.72 138.04 66.38 32.71 0.91 58.20 5.71 1.02 0.45 0.57 0.00 21.30 12.74 82 K C C 105.94 6.68 9.31 17.67 115.76 -116.51 -80.50 142.11 93.14 3.79 3.07 78.82 11.16 3.00 0.67 2.59 0.00 2.86 0.91 83 P C C 110.10 2.01 9.82 13.19 104.60 -105.94 -65.64 129.14 90.75 1.23 8.02 38.55 15.04 36.35 0.90 8.04 0.00 0.73 0.38 84 D C C 117.61 1.90 8.72 12.00 103.13 26.95 -88.38 44.10 92.37 0.77 6.85 60.07 3.77 28.95 1.04 5.41 0.00 0.49 0.27 85 H C C 127.99 4.41 9.26 15.42 105.61 120.59 -90.08 45.69 99.74 0.09 0.16 99.31 0.28 0.25 0.04 0.04 0.00 0.05 0.02