# 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 102.92 8.04 12.42 21.53 117.12 -164.29 -96.04 136.11 99.88 0.12 0.01 99.83 0.07 0.02 0.00 0.00 0.00 0.06 0.01 1 S C C 76.60 4.28 12.53 18.44 114.78 -146.66 -91.39 135.33 92.78 7.03 0.19 92.42 0.81 0.67 0.07 0.08 0.00 3.95 2.00 2 R C C 135.09 6.57 12.66 20.85 118.21 -131.34 -97.30 135.07 92.79 7.13 0.09 75.20 17.29 0.52 0.02 0.08 0.00 5.86 1.03 3 P C C 49.40 13.18 13.16 26.82 115.36 -107.82 -68.58 150.42 91.96 7.87 0.17 82.67 7.16 1.17 0.03 0.16 0.00 8.47 0.35 4 T E E 62.43 9.65 18.64 28.96 116.23 -133.48 -96.03 132.08 39.07 60.70 0.23 30.19 7.80 1.05 0.04 0.22 0.00 59.79 0.91 5 V E E 52.18 13.30 18.11 31.83 118.84 -148.89 -107.14 128.41 12.25 87.69 0.06 10.88 1.16 0.12 0.02 0.04 0.00 87.40 0.38 6 V E E 20.19 18.68 17.24 36.20 122.24 -168.63 -115.49 133.11 4.27 95.71 0.02 3.99 0.18 0.01 0.01 0.00 0.00 95.73 0.08 7 T E E 48.59 9.52 24.12 34.15 121.94 -159.42 -110.82 136.39 1.48 98.52 0.01 1.34 0.05 0.00 0.00 0.00 0.00 98.58 0.02 8 V E E 18.20 21.62 16.09 37.56 121.07 -164.27 -116.29 129.94 0.69 99.30 0.00 0.63 0.02 0.00 0.00 0.00 0.00 99.33 0.01 9 T E E 55.24 7.75 23.18 31.33 129.93 -173.66 -125.19 149.19 0.97 99.03 0.00 0.87 0.03 0.00 0.00 0.00 0.00 99.07 0.03 10 E E E 90.90 11.92 16.14 28.28 116.35 -120.99 -87.84 135.03 10.19 89.79 0.01 9.43 0.50 0.03 0.00 0.01 0.00 89.64 0.38 11 T C C 28.19 13.86 10.16 24.99 111.49 -123.53 -83.00 125.56 78.18 21.75 0.07 76.04 1.42 0.15 0.01 0.05 0.00 21.55 0.78 12 P C T 117.93 1.35 14.34 16.03 92.04 -142.47 -64.25 -25.79 99.07 0.47 0.47 1.56 32.09 65.42 0.01 0.50 0.00 0.35 0.07 13 R C T 177.44 1.20 14.31 15.08 96.95 45.94 -86.08 -21.79 98.86 0.64 0.50 0.92 36.71 61.34 0.01 0.50 0.00 0.42 0.11 14 N C S 59.89 9.15 10.66 21.27 113.47 27.72 -132.83 87.14 83.93 15.75 0.32 25.16 57.20 2.51 0.04 0.34 0.00 12.12 2.64 15 P C T 83.04 6.11 15.47 23.16 108.14 -161.97 -65.58 127.33 89.54 9.47 0.99 4.48 9.03 76.14 0.03 1.24 0.00 8.46 0.62 16 G C T 31.10 10.06 17.86 28.40 97.09 25.55 85.13 -3.14 88.18 11.12 0.70 4.89 11.00 71.84 0.02 0.93 0.00 11.04 0.29 17 S C E 28.57 11.06 19.06 31.42 124.10 103.66 -107.84 146.41 56.46 43.01 0.53 42.65 10.83 1.69 0.03 0.76 0.00 43.40 0.65 18 Y E E 21.31 20.84 16.29 37.17 133.13 -176.50 -131.75 152.25 3.97 96.03 0.00 3.51 0.21 0.01 0.00 0.00 0.00 96.13 0.13 19 E E E 59.66 9.65 24.98 35.44 118.53 -140.07 -108.46 130.80 0.34 99.66 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.69 0.01 20 V E E 6.60 23.81 16.18 40.62 121.81 -165.95 -115.74 132.80 0.35 99.65 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.69 0.00 21 N E E 55.35 8.86 23.86 33.36 120.77 -167.14 -116.73 130.36 0.73 99.27 0.00 0.62 0.03 0.00 0.00 0.00 0.00 99.34 0.01 22 V E E 20.61 17.46 14.07 32.13 127.97 173.32 -126.68 143.73 2.13 97.86 0.01 1.78 0.16 0.02 0.00 0.00 0.00 97.99 0.04 23 E E E 108.13 5.48 16.08 23.00 115.76 -140.52 -101.95 127.76 7.73 92.22 0.05 6.52 0.73 0.14 0.01 0.03 0.00 92.44 0.13 24 R E E 100.37 8.55 9.56 19.67 122.88 173.62 -135.08 126.95 14.33 85.28 0.39 6.62 4.38 3.85 0.06 0.37 0.00 83.99 0.72 25 D C T 136.85 0.44 12.39 11.40 94.59 -16.61 51.71 43.56 99.32 0.32 0.36 0.83 7.07 91.43 0.01 0.39 0.00 0.23 0.04 26 G C T 64.96 0.89 11.21 12.02 95.05 -48.49 79.58 2.03 99.60 0.13 0.27 0.88 8.10 90.60 0.01 0.30 0.00 0.09 0.02 27 K E E 125.92 2.27 12.78 16.58 125.95 100.31 -116.50 146.22 9.49 90.49 0.03 6.31 2.67 0.37 0.00 0.03 0.00 90.31 0.32 28 M E E 91.91 10.51 10.87 22.33 114.98 -122.57 -86.96 130.94 2.11 97.88 0.00 1.83 0.09 0.00 0.00 0.00 0.00 98.03 0.04 29 V E E 59.53 7.85 16.80 26.31 123.50 -170.51 -121.23 136.89 1.23 98.77 0.00 1.11 0.04 0.00 0.00 0.00 0.00 98.82 0.03 30 V E E 66.94 12.90 15.17 28.35 117.19 -135.90 -93.00 132.60 3.33 96.66 0.01 2.98 0.15 0.02 0.00 0.00 0.00 96.75 0.09 31 G E E 25.36 11.42 16.99 28.99 130.26 -173.51 -124.35 163.33 16.44 83.43 0.12 13.03 2.86 0.43 0.03 0.08 0.00 83.18 0.39 32 R E E 128.02 8.32 18.52 27.92 121.83 -133.80 -116.70 134.30 25.60 74.13 0.27 21.06 3.90 0.62 0.07 0.18 0.00 73.40 0.77 33 A E E 42.64 15.83 13.97 29.19 117.66 -140.00 -87.96 142.13 37.22 61.91 0.87 31.39 4.37 1.25 0.27 0.58 0.00 60.44 1.69 34 R E E 136.01 6.46 18.80 26.52 121.18 -159.45 -111.60 135.75 47.03 51.13 1.84 36.80 7.40 2.90 0.66 1.29 0.01 46.82 4.12 35 A C C 59.33 10.81 14.77 25.92 112.77 -135.67 -94.19 129.09 69.77 27.11 3.13 42.79 17.38 10.59 0.71 2.48 0.02 23.71 2.32 36 G C C 33.52 10.92 13.46 24.73 119.55 -106.94 -101.80 154.54 86.78 10.48 2.74 46.93 24.75 15.76 0.58 2.30 0.00 7.72 1.95 37 S C S 85.79 2.97 16.53 20.36 100.40 -126.82 -81.89 -17.13 92.23 5.07 2.71 27.26 56.37 9.20 0.97 1.50 0.01 2.89 1.78 38 D C C 79.39 6.11 18.94 25.66 111.35 26.96 -121.88 94.87 96.62 1.39 1.99 57.69 37.13 1.93 1.48 0.47 0.00 0.50 0.79 39 P H H 40.12 19.01 15.23 33.37 94.11 -166.62 -63.93 -31.43 16.65 0.11 83.23 4.43 2.73 9.76 80.12 2.83 0.02 0.05 0.06 40 G H H 26.03 13.73 21.10 34.11 92.93 56.18 -64.16 -41.27 11.62 0.09 88.30 2.18 1.55 8.07 85.25 2.83 0.04 0.04 0.04 41 A H H 48.97 5.71 25.90 31.78 92.70 49.70 -65.66 -40.86 3.97 0.05 95.98 1.49 0.55 2.03 93.93 1.96 0.00 0.03 0.01 42 A H H 11.98 17.45 22.58 39.85 91.89 50.73 -64.25 -42.58 0.92 0.01 99.07 0.34 0.11 0.41 98.82 0.31 0.00 0.01 0.00 43 A H H 5.27 24.29 22.81 46.37 91.97 50.80 -63.98 -42.35 0.27 0.00 99.73 0.06 0.02 0.14 99.71 0.07 0.00 0.00 0.00 44 A H H 33.95 10.68 26.94 38.12 91.70 51.39 -63.65 -42.51 0.13 0.00 99.87 0.02 0.01 0.07 99.87 0.03 0.00 0.00 0.00 45 K H H 84.12 7.27 28.83 37.15 91.55 49.64 -64.20 -41.93 0.11 0.00 99.89 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 46 A H H 2.67 24.48 22.75 46.84 91.58 50.50 -63.82 -42.94 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 47 M H H 20.11 22.06 23.44 44.19 91.61 50.97 -63.70 -42.51 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 48 Q H H 94.11 4.78 27.69 32.87 91.50 50.80 -63.61 -42.19 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 49 M H H 45.02 10.89 23.91 35.33 91.84 49.24 -64.53 -42.42 0.26 0.00 99.73 0.02 0.01 0.19 99.73 0.04 0.00 0.00 0.00 50 A H H 3.13 24.01 15.94 40.29 91.63 50.41 -63.80 -42.35 0.80 0.00 99.19 0.09 0.05 0.58 99.11 0.17 0.00 0.00 0.00 51 M H H 77.47 11.35 19.05 30.46 91.83 49.97 -65.09 -39.59 2.97 0.01 97.01 0.26 0.18 2.40 96.46 0.69 0.01 0.00 0.00 52 E H H 135.91 2.03 20.62 22.28 91.87 53.16 -67.83 -31.49 10.34 0.03 89.63 0.52 0.54 9.07 89.00 0.81 0.02 0.01 0.02 53 W C T 109.00 10.64 15.40 26.59 97.27 45.89 -89.72 -10.15 55.42 0.16 44.42 2.22 3.86 47.12 45.18 1.44 0.02 0.05 0.11 54 G C T 42.67 8.10 17.90 26.42 107.67 -101.58 94.37 13.67 95.89 0.25 3.86 20.58 7.38 67.99 3.26 0.56 0.00 0.10 0.14 55 S C C 33.94 12.35 14.52 27.78 113.69 159.32 -85.58 126.74 98.99 0.68 0.32 88.56 9.43 0.98 0.09 0.21 0.00 0.29 0.44 56 P C T 84.13 8.22 18.61 27.68 94.24 -147.66 -70.09 -15.45 97.16 0.54 2.30 11.08 23.46 62.31 0.17 2.49 0.00 0.35 0.15 57 N C T 77.34 10.45 21.04 31.48 97.04 62.06 -90.87 2.53 94.27 3.26 2.46 11.00 20.62 62.35 0.15 2.67 0.00 2.91 0.30 58 Y E E 24.44 21.12 19.19 39.90 126.62 89.56 -111.86 143.23 46.41 51.69 1.89 36.55 8.86 1.76 0.28 1.70 0.00 49.70 1.15 59 V E E 14.68 20.08 26.44 45.67 125.38 -166.62 -123.66 134.54 8.49 91.28 0.23 7.89 0.58 0.13 0.11 0.09 0.00 90.73 0.47 60 I E E 5.97 24.52 25.28 49.35 116.54 -150.15 -103.66 125.17 3.97 95.92 0.11 3.83 0.19 0.05 0.06 0.03 0.00 95.56 0.27 61 L E E 19.89 20.78 26.34 45.73 119.35 -165.92 -112.45 127.70 9.94 89.88 0.18 8.42 1.33 0.25 0.09 0.08 0.00 89.32 0.52 62 G E E 10.22 17.97 22.12 39.21 144.85 88.64 171.95 -176.52 43.47 56.40 0.13 20.44 22.90 1.06 0.02 0.10 0.00 54.91 0.57 63 S C C 37.85 8.76 20.77 30.28 118.29 -58.51 -73.09 156.86 82.13 17.32 0.55 67.29 13.72 0.73 0.29 0.26 0.00 16.46 1.25 64 N H H 98.25 7.84 15.91 25.02 91.92 -109.86 -60.58 -34.35 11.86 0.20 87.94 2.01 2.80 7.48 79.26 8.15 0.08 0.12 0.09 65 K H H 133.45 2.22 20.32 22.28 91.95 57.44 -64.72 -37.65 6.72 0.14 93.13 0.76 0.78 5.05 81.98 11.23 0.05 0.11 0.03 66 V H H 19.35 18.05 15.49 33.53 92.74 49.24 -67.24 -39.84 3.12 0.08 96.80 0.42 0.31 2.24 85.52 11.42 0.01 0.07 0.01 67 L H H 24.99 20.16 13.89 33.51 91.61 54.44 -65.44 -32.86 4.44 0.08 95.48 0.50 0.37 3.26 82.51 13.27 0.01 0.07 0.01 68 A C T 75.65 3.18 20.61 24.32 90.82 61.48 -68.76 -21.40 50.08 0.12 49.80 0.84 1.36 48.11 40.37 9.14 0.04 0.07 0.07 69 F C T 108.79 7.57 18.21 26.48 94.97 53.29 -89.71 -8.99 65.59 0.11 34.31 1.31 2.67 61.85 26.49 7.53 0.02 0.05 0.09 70 I C S 14.73 23.26 9.40 31.93 116.69 97.86 -84.47 133.18 99.46 0.31 0.23 14.03 85.26 0.26 0.16 0.02 0.00 0.06 0.20 71 P C C 49.47 6.53 16.68 25.07 112.56 -106.91 -64.06 143.28 99.72 0.11 0.18 99.47 0.26 0.07 0.10 0.01 0.00 0.03 0.05 72 E H H 124.69 5.07 13.79 20.72 92.04 -117.62 -58.43 -36.41 9.78 0.04 90.18 1.07 0.89 6.58 62.37 29.05 0.01 0.02 0.01 73 Q H H 121.45 2.02 16.20 18.47 91.42 59.59 -65.22 -30.53 6.85 0.05 93.10 0.59 0.47 4.82 64.10 29.97 0.01 0.03 0.01 74 L H H 37.44 13.92 11.77 26.26 93.81 52.24 -72.40 -30.32 5.32 0.08 94.60 0.92 0.56 3.12 64.99 30.33 0.00 0.06 0.01 75 R H H 83.95 13.11 11.93 25.07 94.42 62.25 -69.26 -31.19 19.38 2.70 77.92 8.84 3.93 7.90 63.10 13.59 0.12 1.67 0.85 76 V H H 98.54 3.16 13.79 17.94 96.63 58.97 -76.54 -19.22 47.35 4.95 47.71 16.44 7.36 24.31 39.24 7.71 0.18 3.06 1.69 77 K C C 138.53 3.01 12.28 16.60 99.59 61.66 -84.20 0.24 66.55 2.90 30.55 38.15 2.35 25.43 26.75 4.36 0.00 1.80 1.17 78 M C C 83.37 11.96 10.46 22.34 106.04 96.06 -84.83 66.39 99.89 0.05 0.06 99.71 0.10 0.12 0.04 0.00 0.00 0.02 0.01