# 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 108.64 6.53 11.36 19.33 117.13 -159.08 -94.87 137.30 99.89 0.09 0.02 99.79 0.10 0.04 0.01 0.00 0.00 0.04 0.01 1 S C C 79.06 3.12 10.49 15.30 113.69 -123.35 -80.31 144.47 88.77 2.78 8.45 84.86 1.10 3.89 5.59 1.78 0.00 1.45 1.32 2 R C C 159.23 3.73 9.14 14.65 107.80 -133.74 -86.08 105.63 76.13 5.31 18.56 52.84 13.17 9.68 11.46 7.36 0.01 2.92 2.56 3 S C C 63.51 5.28 9.85 16.74 113.85 -151.24 -88.63 138.24 65.44 6.29 28.27 46.92 9.67 8.58 13.45 15.06 0.01 3.78 2.53 4 A C G 77.06 4.91 10.75 17.22 98.68 -119.56 -74.40 -19.71 53.59 4.68 41.74 21.15 13.66 20.33 15.94 24.25 0.13 2.86 1.67 5 K C T 141.04 3.35 12.15 16.98 101.08 65.25 -84.49 0.19 56.31 5.81 37.88 21.86 13.10 22.86 14.96 21.37 0.20 3.50 2.15 6 K C C 128.82 4.86 12.56 19.01 106.22 102.24 -88.04 42.79 67.98 6.06 25.96 30.13 21.19 18.18 12.21 12.29 0.10 3.11 2.78 7 G C C 34.43 7.78 13.59 22.53 127.94 -109.94 120.31 -177.73 90.22 4.00 5.77 51.57 23.84 15.17 1.56 4.01 0.00 2.29 1.56 8 A C C 62.22 8.10 15.21 24.07 109.52 -54.34 -76.37 134.52 89.78 6.71 3.51 44.38 30.48 15.44 0.72 2.86 0.00 4.58 1.54 9 F C C 102.12 9.59 16.69 26.82 114.75 -129.65 -96.61 125.91 65.83 31.71 2.46 44.01 13.24 8.15 1.03 1.76 0.02 22.75 9.05 10 V C C 48.17 15.92 13.85 29.59 120.55 -165.76 -110.07 132.30 66.95 32.50 0.54 61.39 4.55 0.42 0.39 0.22 0.00 19.00 14.03 11 D C C 51.39 10.55 15.39 27.22 109.36 -121.75 -80.29 121.53 97.82 1.74 0.44 97.24 0.93 0.16 0.30 0.05 0.00 0.98 0.34 12 A H H 72.17 4.14 16.31 21.87 93.05 -149.41 -63.41 -33.69 6.09 0.01 93.89 0.80 0.56 4.56 92.49 1.58 0.00 0.01 0.01 13 H H H 111.05 3.04 18.65 21.77 91.83 56.19 -64.88 -39.54 3.55 0.01 96.44 0.36 0.24 2.86 94.59 1.94 0.00 0.00 0.00 14 L H H 14.40 17.82 14.38 32.82 92.14 50.35 -65.38 -42.00 1.04 0.01 98.95 0.18 0.08 0.71 97.00 2.02 0.00 0.00 0.00 15 L H H 44.19 13.54 16.81 30.84 91.63 52.57 -63.08 -41.52 0.55 0.00 99.45 0.11 0.04 0.34 98.99 0.53 0.00 0.00 0.00 16 K H H 121.81 1.74 22.73 22.57 91.46 50.68 -64.14 -41.74 0.37 0.00 99.63 0.05 0.02 0.23 99.59 0.10 0.00 0.00 0.00 17 K H H 83.88 7.29 20.41 28.30 91.77 49.41 -65.06 -41.29 0.29 0.00 99.71 0.04 0.02 0.18 99.70 0.06 0.00 0.00 0.00 18 V H H 10.72 19.74 14.93 35.04 91.97 49.91 -64.22 -43.11 0.18 0.00 99.82 0.03 0.01 0.11 99.80 0.05 0.00 0.00 0.00 19 I H H 74.66 5.70 19.89 26.39 91.44 49.94 -63.40 -41.82 0.21 0.00 99.79 0.03 0.01 0.13 99.79 0.05 0.00 0.00 0.00 20 D H H 76.42 2.01 20.22 20.88 91.78 49.93 -64.47 -41.19 0.51 0.00 99.49 0.05 0.03 0.36 99.45 0.11 0.00 0.00 0.00 21 M H H 29.07 10.59 13.23 26.06 91.91 50.35 -64.57 -40.55 1.30 0.00 98.70 0.13 0.08 0.94 98.54 0.30 0.00 0.00 0.00 22 N H H 67.13 9.76 12.42 23.16 92.40 51.76 -65.21 -38.65 4.94 0.01 95.05 0.43 0.28 3.85 94.90 0.53 0.01 0.00 0.01 23 K H H 158.67 0.96 14.49 14.70 91.85 52.62 -67.21 -30.37 16.51 0.05 83.44 0.94 1.05 14.13 82.99 0.81 0.03 0.02 0.03 24 Q C T 116.80 2.01 12.11 14.62 95.95 48.74 -88.77 0.86 73.57 0.19 26.23 3.06 7.81 59.77 27.67 1.44 0.01 0.06 0.17 25 E C T 158.89 1.63 11.85 14.81 94.63 -118.96 58.55 31.25 96.97 0.12 2.91 11.02 10.39 75.84 1.82 0.80 0.00 0.06 0.07 26 K C C 116.75 3.54 12.83 17.98 118.69 131.09 -107.37 138.87 98.07 0.60 1.32 74.45 17.89 5.65 0.42 0.92 0.00 0.27 0.40 27 K C C 121.55 8.28 12.06 21.70 111.29 -129.82 -82.62 118.37 98.36 1.01 0.64 86.70 9.35 2.24 0.15 0.54 0.00 0.53 0.49 28 R C C 118.84 5.73 18.23 25.21 125.90 148.25 -121.94 144.40 97.68 2.27 0.05 84.46 13.26 0.24 0.01 0.04 0.00 1.63 0.36 29 P C C 59.64 12.07 17.01 29.43 114.95 -107.22 -69.18 143.93 90.85 9.12 0.03 86.52 3.89 0.12 0.00 0.02 0.00 9.06 0.38 30 I E E 23.33 20.22 14.85 35.27 117.93 -143.57 -102.96 131.98 14.79 85.19 0.02 14.37 0.42 0.02 0.01 0.01 0.00 80.95 4.20 31 K E E 109.17 7.20 23.52 31.46 115.91 -141.43 -93.64 130.21 12.07 87.91 0.02 11.82 0.37 0.02 0.01 0.01 0.00 86.68 1.08 32 T E E 21.34 21.49 13.98 34.79 127.84 -171.00 -120.36 145.87 37.60 62.32 0.08 35.49 1.42 0.14 0.02 0.06 0.00 61.24 1.64 33 W C C 125.74 7.92 21.30 29.69 103.70 -165.35 -96.21 -10.15 71.72 28.00 0.28 45.31 25.93 1.49 0.06 0.26 0.00 25.07 1.87 34 S C C 30.22 13.17 17.05 30.83 126.94 56.95 -122.64 143.52 87.11 12.06 0.82 65.94 18.14 2.93 0.14 0.87 0.00 9.98 2.00 35 R C S 122.15 10.95 17.48 28.69 97.55 -162.10 -80.70 -17.57 91.83 5.46 2.72 14.03 40.31 37.54 0.18 2.89 0.00 4.20 0.85 36 R C S 151.10 3.71 21.35 25.45 101.72 53.80 -95.85 37.33 91.14 6.06 2.80 16.91 38.62 35.39 0.13 3.18 0.00 5.04 0.73 37 S C C 17.79 19.33 13.26 32.48 122.58 127.86 -90.27 150.04 82.59 15.37 2.04 69.33 11.30 1.47 0.20 1.96 0.00 14.58 1.16 38 T E E 62.65 7.52 24.88 33.06 120.14 -133.62 -107.44 135.84 24.57 75.30 0.13 21.84 1.79 0.13 0.08 0.08 0.00 64.37 11.72 39 I E E 19.55 23.20 14.85 38.28 116.08 -148.96 -98.88 127.04 24.87 75.10 0.03 24.40 0.72 0.02 0.02 0.01 0.00 58.52 16.30 40 F C C 61.98 9.95 20.23 31.19 114.47 -136.18 -80.88 136.56 99.20 0.78 0.01 99.19 0.26 0.01 0.00 0.00 0.00 0.48 0.05 41 P H G 69.08 10.31 16.36 27.69 90.96 -121.92 -58.07 -31.27 7.71 0.07 92.22 0.54 0.56 5.39 0.89 92.55 0.00 0.06 0.00 42 E H G 120.89 4.42 20.54 25.93 89.23 64.72 -67.58 -17.37 6.28 0.04 93.69 0.16 0.30 5.14 0.65 93.71 0.00 0.03 0.00 43 F H G 14.18 21.75 13.92 36.32 94.23 55.96 -93.32 -6.73 6.76 0.06 93.18 0.51 0.53 4.35 0.66 93.92 0.00 0.04 0.00 44 V C T 52.20 14.84 15.50 30.84 112.63 115.15 -62.14 132.03 97.16 1.41 1.43 0.63 1.38 95.96 0.17 0.61 0.00 0.45 0.80 45 G C T 45.15 3.86 21.98 26.53 94.12 22.22 86.15 -4.07 99.60 0.22 0.18 0.24 1.83 97.65 0.01 0.11 0.00 0.15 0.01 46 N C C 32.93 15.88 16.36 32.73 123.36 122.60 -83.97 154.21 96.08 3.90 0.03 87.02 8.83 0.14 0.00 0.02 0.00 3.84 0.14 47 T E E 44.19 10.85 24.02 35.62 119.84 -130.46 -107.91 132.50 1.74 98.26 0.00 1.76 0.06 0.00 0.00 0.00 0.00 97.92 0.26 48 F E E 6.93 24.47 18.31 43.23 128.14 -172.11 -124.35 143.87 0.11 99.89 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.88 0.00 49 A E E 16.25 13.49 25.53 39.94 118.42 -140.86 -100.86 132.42 0.09 99.91 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 50 V E E 6.66 22.25 19.69 42.44 119.88 -162.57 -113.69 128.94 0.30 99.70 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.71 0.01 51 H E E 37.64 13.30 19.46 33.85 115.70 -158.33 -106.96 122.50 6.16 93.81 0.03 5.04 0.68 0.10 0.00 0.02 0.00 93.97 0.18 52 N E E 59.35 9.59 17.56 28.65 99.82 -177.65 -106.61 17.05 49.30 50.17 0.53 33.07 10.89 5.16 0.06 0.55 0.00 49.51 0.76 53 G C T 40.33 7.53 14.98 23.17 98.51 -95.37 79.34 -6.79 98.86 0.44 0.70 1.82 40.90 56.11 0.02 0.78 0.00 0.28 0.08 54 K C T 158.34 1.31 15.69 16.57 103.47 43.13 -101.24 -26.11 98.87 0.58 0.55 1.82 46.12 50.99 0.01 0.57 0.00 0.38 0.09 55 T E E 87.60 2.30 16.94 19.59 128.93 29.86 -130.26 148.55 32.60 67.31 0.08 22.52 9.77 0.60 0.01 0.08 0.00 66.36 0.66 56 F E E 96.44 14.16 11.50 25.46 118.53 -134.53 -98.36 133.83 7.42 92.58 0.00 6.92 0.27 0.01 0.00 0.00 0.00 92.64 0.15 57 I E E 54.85 9.82 17.66 29.16 120.72 -167.66 -120.93 127.87 1.11 98.89 0.00 1.02 0.03 0.00 0.00 0.00 0.00 98.93 0.01 58 N E E 88.41 7.80 19.72 28.42 114.84 -125.65 -75.63 135.95 0.70 99.30 0.00 0.65 0.01 0.00 0.00 0.00 0.00 99.33 0.00 59 V E E 17.09 20.32 14.98 35.32 129.21 -175.43 -131.42 142.42 0.45 99.55 0.00 0.45 0.00 0.00 0.00 0.00 0.00 99.54 0.01 60 Y E E 107.27 7.19 24.71 32.39 117.03 -137.48 -97.94 130.75 1.05 98.95 0.00 1.04 0.02 0.00 0.00 0.00 0.00 98.89 0.05 61 V E E 8.69 24.26 12.93 37.73 116.85 -149.83 -101.72 127.60 20.28 79.70 0.03 20.36 0.30 0.02 0.01 0.01 0.00 78.78 0.53 62 T C C 47.26 5.96 22.39 28.63 132.50 173.29 -128.32 169.91 89.29 10.42 0.29 86.03 3.30 0.25 0.09 0.18 0.00 9.33 0.81 63 D H G 92.38 8.65 14.94 24.65 91.23 -98.78 -60.88 -30.53 31.73 0.45 67.83 1.42 3.97 24.48 2.65 67.06 0.00 0.30 0.11 64 D H G 117.24 1.41 18.93 19.58 91.49 60.36 -77.81 -11.07 32.07 0.32 67.62 1.46 3.03 25.11 2.58 67.54 0.00 0.21 0.08 65 M H G 36.66 17.37 12.86 30.07 96.98 60.70 -93.19 -2.34 28.38 3.71 67.92 12.94 5.15 10.17 4.09 64.32 0.00 2.44 0.88 66 V C T 54.48 14.40 13.97 28.82 112.87 119.24 -66.71 135.02 81.57 8.95 9.47 10.13 8.47 62.81 5.17 4.31 0.10 5.12 3.89 67 G C T 39.34 7.20 19.50 27.52 95.51 21.73 83.42 -4.23 86.92 2.81 10.28 7.50 11.60 67.63 5.33 5.01 0.04 1.90 0.99 68 H C C 80.73 10.54 17.37 28.41 97.77 118.43 -72.08 -32.28 66.09 5.11 28.80 39.60 13.13 13.94 15.40 12.75 0.08 2.72 2.39 69 K C T 100.22 9.55 20.33 29.70 96.63 23.23 -68.66 -33.38 47.50 8.79 43.71 14.72 10.92 22.56 21.16 20.69 0.87 4.94 4.13 70 L H G 45.91 17.08 15.66 32.19 97.04 53.10 -72.80 -23.45 44.49 4.76 50.75 7.73 9.07 26.75 21.04 29.64 0.89 2.78 2.10 71 G H G 31.61 10.65 17.62 28.39 97.22 44.14 -48.04 -22.07 47.78 3.18 49.04 12.94 9.98 25.64 15.86 32.25 0.15 1.80 1.39 72 E C T 104.61 6.89 18.10 25.69 95.33 68.80 -77.51 -18.86 57.63 4.08 38.29 17.65 13.67 27.19 10.72 26.51 0.13 2.33 1.79 73 F C C 100.35 9.79 14.87 25.23 102.24 49.29 -98.98 5.24 65.11 9.57 25.32 27.75 17.84 21.09 7.98 15.51 0.21 4.69 4.94 74 S C C 43.22 11.37 11.86 24.14 118.46 102.44 -97.31 137.45 91.01 6.47 2.52 59.63 28.87 2.74 1.22 1.27 0.00 3.70 2.56 75 P C C 88.40 5.25 13.89 20.46 108.67 -115.39 -69.75 138.00 88.27 5.82 5.91 59.09 17.44 11.62 1.87 4.21 0.00 3.92 1.84 76 T C C 89.87 5.78 10.69 18.11 113.83 -131.41 -94.62 131.17 83.77 10.67 5.56 58.94 14.21 10.02 1.77 3.99 0.01 6.73 4.32 77 R C C 146.39 5.09 10.42 17.38 118.71 -160.50 -106.16 136.66 83.05 12.99 3.95 63.84 14.44 4.03 1.89 2.25 0.00 8.72 4.80 78 N C C 118.39 2.36 11.48 15.54 116.67 -143.83 -101.58 131.58 83.76 12.28 3.97 66.32 13.31 3.76 1.97 2.08 0.00 8.98 3.59 79 F C C 131.74 5.92 8.38 16.05 115.43 -146.87 -94.16 132.02 80.44 12.14 7.41 62.58 11.67 5.54 4.04 3.49 0.01 8.13 4.55 80 K C C 142.48 2.71 10.03 14.49 115.93 -162.43 -104.30 131.85 79.62 8.05 12.33 54.38 15.60 9.55 6.47 5.91 0.01 5.16 2.92 81 Q C C 127.94 2.84 9.42 14.02 112.66 -142.97 -89.46 132.34 75.27 6.08 18.65 45.78 17.19 12.75 8.69 9.64 0.02 3.66 2.28 82 H C C 126.43 3.99 8.23 13.93 105.87 -142.46 -90.69 41.11 71.96 5.88 22.16 47.93 12.49 11.47 10.42 11.76 0.01 3.52 2.39 83 T C C 90.95 3.58 8.52 13.63 106.35 91.60 -85.26 37.53 69.71 2.91 27.38 35.83 15.55 18.82 9.70 17.19 0.02 1.54 1.35 84 A C C 82.20 2.48 8.15 12.17 103.70 64.99 -78.87 3.41 72.70 1.95 25.35 28.59 20.75 24.18 7.47 16.98 0.02 0.97 1.04 85 N C C 123.46 1.75 8.64 11.74 104.75 62.30 -87.60 56.06 81.95 1.46 16.59 63.84 4.67 14.39 5.42 10.07 0.00 0.85 0.75 86 R C C 158.21 3.65 9.34 14.88 105.49 93.02 -83.88 67.74 99.79 0.11 0.10 99.53 0.19 0.15 0.04 0.01 0.00 0.05 0.03