# 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 120.83 4.92 11.16 17.74 115.99 -161.03 -97.75 133.20 99.86 0.12 0.03 99.77 0.10 0.04 0.01 0.00 0.00 0.05 0.02 1 A C C 79.42 3.46 9.04 14.46 114.50 -136.13 -87.39 141.34 87.89 3.99 8.12 84.22 1.20 3.52 5.39 1.73 0.00 2.30 1.62 2 R C C 168.35 2.63 8.84 13.34 112.33 -139.75 -91.40 130.23 75.91 8.02 16.07 55.04 12.52 7.91 9.86 6.63 0.01 5.25 2.78 3 S C C 72.96 4.25 9.39 15.41 116.42 -144.53 -96.30 138.85 69.10 10.57 20.33 53.31 8.79 6.59 10.27 10.42 0.01 7.53 3.07 4 I C C 109.68 5.98 9.73 17.11 106.05 -143.95 -88.59 38.86 60.92 11.47 27.61 36.60 13.65 11.65 11.76 15.40 0.08 7.81 3.05 5 K C C 136.96 3.80 11.76 17.30 109.67 103.55 -89.82 113.10 65.28 11.68 23.05 37.31 14.51 14.38 9.73 12.87 0.10 7.81 3.30 6 K C C 142.47 3.61 12.49 17.79 108.79 -134.02 -91.84 96.73 75.05 9.56 15.39 41.26 21.82 12.74 7.24 7.69 0.07 5.36 3.84 7 G C C 31.74 8.15 12.31 21.70 130.32 -106.16 140.03 176.97 93.75 4.85 1.40 55.99 32.18 5.81 0.32 1.16 0.00 2.93 1.62 8 P C C 85.31 6.19 15.17 22.26 103.78 -54.92 -71.29 71.65 93.65 4.83 1.53 37.29 36.19 20.56 0.22 1.42 0.00 3.43 0.89 9 F C C 101.52 9.86 14.94 25.39 112.83 57.50 -95.92 123.86 70.16 27.86 1.99 43.93 14.98 11.75 0.70 1.55 0.01 19.32 7.76 10 V C C 50.74 14.53 13.04 27.72 119.44 -148.23 -105.58 131.90 74.87 24.48 0.66 67.55 5.98 0.54 0.43 0.27 0.00 15.60 9.63 11 D C C 59.01 9.19 15.06 25.50 111.06 -131.84 -83.26 123.47 96.73 2.46 0.81 95.58 1.45 0.27 0.59 0.10 0.00 1.45 0.55 12 E H H 127.02 3.79 15.26 20.63 93.35 -147.59 -63.90 -33.10 7.37 0.03 92.61 1.36 0.79 5.03 90.98 1.80 0.01 0.01 0.01 13 H H H 110.40 2.80 17.49 20.28 92.03 55.86 -65.01 -39.87 4.50 0.02 95.47 0.67 0.36 3.29 93.44 2.21 0.01 0.01 0.01 14 L H H 26.83 14.20 14.32 29.52 92.32 50.19 -65.46 -41.61 1.30 0.02 98.68 0.35 0.13 0.76 96.81 1.94 0.00 0.01 0.00 15 M H H 49.81 12.50 15.31 28.65 91.84 51.63 -63.40 -41.71 0.63 0.01 99.36 0.18 0.06 0.33 98.94 0.49 0.00 0.01 0.00 16 K H H 120.46 1.84 20.80 21.23 91.74 50.72 -64.12 -41.57 0.60 0.01 99.39 0.14 0.06 0.34 99.23 0.22 0.00 0.01 0.00 17 K H H 97.38 4.90 19.33 24.58 92.35 49.75 -65.19 -41.41 0.68 0.02 99.30 0.16 0.06 0.40 99.15 0.21 0.00 0.01 0.00 18 V H H 19.08 15.93 13.97 30.75 92.26 50.12 -64.79 -42.26 0.77 0.02 99.21 0.19 0.07 0.44 99.07 0.22 0.00 0.01 0.00 19 E H H 94.88 5.48 17.52 24.01 91.94 50.96 -64.28 -40.06 1.52 0.01 98.47 0.33 0.12 0.94 98.27 0.34 0.00 0.01 0.00 20 A H H 69.12 1.85 17.24 18.38 92.69 51.41 -66.33 -37.73 5.32 0.03 94.65 0.62 0.38 4.07 94.25 0.65 0.01 0.01 0.01 21 Q H H 80.21 8.04 13.03 22.21 94.88 51.66 -72.47 -29.29 13.55 0.10 86.34 1.58 1.31 10.32 85.71 0.95 0.04 0.04 0.05 22 E H H 105.27 7.46 12.16 20.58 98.61 59.12 -78.79 -10.31 43.16 0.68 56.15 8.64 6.93 27.59 54.62 1.52 0.07 0.24 0.40 23 G C T 56.18 2.20 13.19 16.07 101.25 22.81 46.27 -1.66 78.52 0.90 20.59 29.02 10.43 38.75 17.93 2.97 0.00 0.38 0.50 24 S C C 66.84 4.71 9.56 15.92 112.46 101.83 -91.11 138.22 82.58 1.28 16.14 36.48 20.46 26.50 8.15 7.03 0.01 0.53 0.84 25 E C T 155.47 1.57 11.55 13.99 100.60 -135.89 -79.81 1.48 86.27 0.93 12.81 29.85 26.66 30.32 3.81 8.36 0.00 0.42 0.57 26 K C C 128.48 3.75 11.64 17.05 113.01 103.61 -89.38 134.43 87.40 1.69 10.92 43.47 25.11 18.84 2.52 8.40 0.00 0.85 0.82 27 K C C 116.15 8.29 11.92 21.37 114.31 -138.18 -88.36 126.86 88.39 4.59 7.02 65.42 14.38 8.47 1.63 5.65 0.00 3.47 0.99 28 Q C C 90.05 7.87 16.35 25.26 120.17 -155.91 -105.88 139.79 78.15 18.75 3.10 58.54 15.68 3.59 0.80 2.19 0.00 17.75 1.46 29 V E E 61.52 12.01 16.28 28.95 117.43 -136.30 -96.97 131.06 48.98 50.54 0.48 43.76 3.99 0.50 0.15 0.27 0.00 50.19 1.14 30 I E E 33.53 17.64 15.43 33.41 118.37 -156.53 -104.64 130.07 15.57 84.30 0.12 14.82 0.76 0.09 0.08 0.05 0.00 82.94 1.26 31 K E E 106.90 7.95 22.11 30.76 116.65 -146.55 -95.09 130.22 11.38 88.53 0.08 10.84 0.55 0.08 0.04 0.03 0.00 87.58 0.87 32 T E E 26.99 19.49 14.35 33.31 126.89 -171.32 -121.77 144.82 32.81 67.01 0.17 30.53 1.69 0.23 0.06 0.10 0.00 65.97 1.41 33 W C C 125.95 8.14 20.61 29.25 104.13 -162.60 -99.42 -8.82 68.98 30.59 0.43 41.06 26.61 2.08 0.10 0.38 0.00 28.20 1.58 34 S C C 31.92 12.76 16.60 30.05 124.99 45.63 -118.63 143.81 84.89 14.08 1.03 60.68 20.24 3.95 0.18 1.04 0.00 12.17 1.75 35 R C S 124.89 10.32 17.16 27.86 102.97 -160.52 -90.99 -7.99 89.40 7.81 2.79 16.77 39.88 33.16 0.23 2.79 0.00 6.05 1.11 36 R C S 149.37 4.09 20.92 25.47 101.18 53.24 -95.98 30.40 88.34 9.04 2.63 18.00 38.47 32.07 0.16 2.82 0.00 7.53 0.95 37 S C C 20.74 18.40 13.73 31.94 124.30 117.64 -94.85 153.21 77.27 20.76 1.97 62.51 11.92 2.14 0.20 1.90 0.00 20.33 1.00 38 T E E 60.75 8.36 24.07 33.04 121.69 -138.44 -111.45 136.77 21.21 78.63 0.15 18.72 1.92 0.22 0.06 0.11 0.00 73.06 5.90 39 I E E 23.39 22.02 15.57 37.63 117.80 -150.82 -103.12 128.20 17.23 82.74 0.02 16.42 0.52 0.02 0.01 0.01 0.00 67.04 15.97 40 F C C 57.99 10.76 19.20 31.13 113.12 -128.37 -78.10 134.04 98.61 1.39 0.01 98.72 0.25 0.01 0.00 0.00 0.00 0.95 0.07 41 P H G 70.52 9.88 16.26 27.25 91.13 -124.65 -58.32 -30.68 11.05 0.12 88.84 0.69 0.77 7.95 0.76 89.73 0.00 0.09 0.00 42 N H G 105.49 3.89 20.50 25.32 89.27 64.95 -67.92 -15.82 10.01 0.07 89.92 0.21 0.46 8.50 0.59 90.18 0.00 0.05 0.00 43 F H G 16.31 21.20 13.78 35.62 94.52 56.91 -95.48 -7.09 9.86 0.11 90.02 0.83 0.85 6.37 0.68 91.20 0.00 0.07 0.01 44 I C T 60.07 14.64 15.21 30.41 112.86 116.16 -61.90 132.20 97.86 0.99 1.16 0.51 1.16 96.87 0.15 0.47 0.00 0.32 0.52 45 G C T 45.02 3.95 21.66 26.35 94.20 22.19 85.46 -4.24 99.62 0.19 0.18 0.22 1.56 97.96 0.01 0.11 0.00 0.13 0.01 46 H C C 49.24 15.17 16.55 32.07 123.58 123.18 -87.58 152.15 95.66 4.31 0.03 87.29 8.01 0.15 0.00 0.03 0.00 4.37 0.15 47 T E E 45.72 10.97 23.77 35.37 119.36 -130.98 -106.72 132.71 2.03 97.97 0.00 2.06 0.06 0.00 0.00 0.00 0.00 97.63 0.25 48 F E E 7.60 24.15 18.11 42.63 127.62 -172.23 -124.22 143.14 0.12 99.88 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.88 0.00 49 A E E 16.86 13.29 25.12 39.35 118.61 -141.83 -103.18 132.52 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 7.41 21.84 19.38 41.67 121.60 -164.54 -116.35 131.33 0.33 99.67 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.68 0.01 51 Y E E 46.25 12.89 19.04 33.20 116.00 -155.23 -105.99 124.06 6.30 93.66 0.04 5.03 0.81 0.14 0.01 0.03 0.00 93.81 0.17 52 D E E 56.77 9.54 17.29 28.22 102.27 177.18 -108.98 30.64 41.31 57.75 0.94 23.74 11.12 7.31 0.09 0.97 0.00 56.05 0.71 53 G C T 41.33 7.13 15.05 22.95 98.40 -83.53 78.38 -9.30 98.60 0.47 0.93 1.85 31.42 65.23 0.02 1.07 0.00 0.31 0.10 54 R C T 175.26 1.53 15.53 17.01 103.70 42.51 -99.91 -22.55 98.59 0.70 0.71 2.07 38.22 58.33 0.02 0.76 0.00 0.47 0.11 55 K E E 134.21 1.98 17.12 19.20 126.39 32.96 -125.09 146.98 29.37 70.54 0.10 20.43 8.76 0.70 0.02 0.09 0.00 69.30 0.70 56 H E E 88.76 14.60 11.34 25.55 119.44 -130.02 -98.38 134.08 8.84 91.15 0.01 8.12 0.36 0.02 0.00 0.00 0.00 91.27 0.23 57 V E E 50.61 9.20 18.30 29.11 120.92 -168.39 -123.04 125.69 2.27 97.73 0.00 2.03 0.07 0.00 0.00 0.00 0.00 97.87 0.02 58 P E E 72.99 8.77 19.65 29.03 114.82 -120.91 -69.74 140.14 1.57 98.43 0.00 1.47 0.02 0.00 0.00 0.00 0.00 98.50 0.01 59 V E E 17.19 20.30 15.35 35.58 127.96 -173.46 -127.89 141.48 0.59 99.41 0.00 0.58 0.01 0.00 0.00 0.00 0.00 99.40 0.01 60 Y E E 107.78 7.25 25.10 32.79 117.14 -136.42 -99.53 132.14 1.32 98.68 0.00 1.28 0.03 0.00 0.00 0.00 0.00 98.60 0.08 61 V E E 7.60 24.68 12.71 38.00 114.27 -139.79 -92.43 126.38 27.65 72.33 0.02 27.63 0.35 0.02 0.01 0.01 0.00 71.45 0.54 62 T C C 48.66 5.69 22.87 28.69 133.35 173.78 -125.43 168.87 94.11 5.78 0.11 92.27 2.26 0.11 0.03 0.05 0.00 4.80 0.47 63 E H G 118.62 8.53 14.83 24.53 90.93 -99.15 -59.50 -32.75 20.84 0.15 79.01 0.81 2.31 17.00 4.59 75.14 0.00 0.10 0.04 64 D H G 118.45 1.27 19.36 19.69 90.13 60.40 -70.08 -17.39 20.63 0.09 79.28 0.50 1.29 18.17 4.50 75.46 0.00 0.06 0.02 65 M H G 31.35 17.43 13.22 30.91 95.90 51.45 -98.24 -4.77 20.53 0.41 79.06 2.01 2.13 15.83 5.12 74.52 0.00 0.28 0.12 66 V C T 46.89 16.40 13.41 29.95 112.63 114.86 -64.28 134.01 85.94 4.56 9.50 4.56 5.22 76.60 5.23 3.80 0.08 2.47 2.04 67 G C T 40.93 6.42 20.22 27.69 95.13 22.33 83.04 -4.00 91.48 0.75 7.77 4.08 6.35 81.17 3.86 3.76 0.01 0.46 0.31 68 H C C 75.69 11.10 17.15 28.72 115.94 122.26 -85.10 150.73 72.42 3.43 24.15 48.41 13.20 10.99 13.77 9.87 0.01 1.52 2.22 69 K H H 101.39 9.24 21.40 30.32 102.64 -103.09 -70.26 -27.39 44.03 11.69 44.28 13.69 11.05 20.27 23.38 17.72 1.92 4.98 7.00 70 L H G 43.47 18.88 15.87 33.71 97.60 -72.41 -69.70 -19.80 40.37 4.31 55.32 6.28 8.15 24.44 24.83 30.54 1.09 2.39 2.29 71 G H G 28.89 12.03 17.81 29.58 97.15 45.87 3.90 -18.28 38.42 2.69 58.89 9.83 7.70 21.17 21.22 37.20 0.17 1.44 1.27 72 E C G 106.33 6.55 19.28 26.43 94.19 70.46 -75.40 -20.73 51.88 2.95 45.17 10.98 10.74 29.50 15.90 29.52 0.17 1.74 1.46 73 F C T 91.91 11.18 15.86 27.27 100.37 44.59 -99.08 -1.56 62.36 6.12 31.52 16.53 16.88 30.14 11.76 17.86 0.39 3.09 3.36 74 A C S 34.78 13.84 12.80 27.07 119.80 91.60 -100.21 140.31 92.47 4.81 2.73 42.86 47.57 2.59 1.51 1.08 0.00 2.27 2.13 75 P C C 74.95 6.91 15.42 23.47 110.48 -107.39 -67.01 145.95 89.80 4.74 5.47 73.62 10.06 5.96 2.20 3.24 0.00 2.82 2.10 76 T C C 82.93 8.13 12.47 21.63 107.06 -142.73 -94.11 58.64 83.30 8.73 7.97 61.95 13.19 7.47 3.20 4.90 0.00 4.90 4.37 77 R C C 141.70 5.56 12.75 19.80 115.50 18.86 -104.19 134.45 79.35 11.19 9.45 49.50 22.02 8.00 4.59 4.89 0.02 7.08 3.91 78 T C C 92.10 4.21 12.69 18.59 115.06 -144.64 -100.42 127.74 78.13 12.73 9.14 54.15 16.53 7.21 4.68 4.63 0.01 9.20 3.58 79 F C C 110.57 8.78 9.28 19.08 114.59 -153.92 -95.94 127.80 77.40 12.38 10.21 59.08 11.60 5.83 6.58 3.95 0.01 8.20 4.76 80 K C C 150.42 2.33 12.50 16.18 109.82 -159.21 -93.08 119.47 75.59 7.34 17.07 38.72 15.70 22.00 10.43 6.16 0.03 4.60 2.35 81 G C C 47.00 3.96 13.00 18.18 112.00 16.05 96.46 -46.18 74.42 4.23 21.35 28.42 21.21 25.93 12.56 7.85 0.06 2.34 1.63 82 H C C 102.60 7.14 10.69 19.13 109.84 -36.98 -90.89 117.16 66.72 5.22 28.06 41.01 14.57 11.38 19.24 8.64 0.04 2.73 2.39 83 V C C 79.58 5.71 12.32 19.36 109.62 53.23 -82.81 128.73 58.16 3.36 38.48 34.60 12.46 11.87 28.17 9.66 0.04 1.76 1.45 84 A C H 63.73 4.73 12.28 18.41 97.83 -14.81 -68.92 -32.69 51.69 1.86 46.45 27.93 12.51 12.46 33.95 11.35 0.04 0.94 0.82 85 D C H 90.11 3.93 12.07 17.29 98.68 58.44 -80.27 -13.47 49.46 1.57 48.97 28.28 10.35 11.83 36.55 11.46 0.03 0.80 0.69 86 D C H 84.16 5.40 10.59 17.54 100.28 69.43 -80.20 -6.77 50.09 1.52 48.39 29.65 9.61 11.90 37.37 10.01 0.02 0.77 0.68 87 K C H 127.68 4.03 10.49 16.05 100.50 79.14 -80.29 -3.35 50.55 1.99 47.46 29.56 10.18 12.21 37.61 8.53 0.03 1.01 0.87 88 K C C 140.69 2.57 10.03 14.05 104.35 79.49 -83.25 23.30 56.90 2.45 40.65 32.36 12.53 13.11 32.14 7.55 0.03 1.25 1.03 89 T C C 91.15 3.67 8.22 13.58 109.02 92.22 -89.45 109.53 66.60 3.64 29.76 40.38 11.83 14.32 23.41 6.55 0.02 1.99 1.50 90 R C C 168.86 2.24 8.19 12.18 109.05 64.92 -88.83 107.64 82.06 3.04 14.90 69.14 2.78 10.25 11.73 2.87 0.00 1.69 1.54 91 R C C 168.48 2.55 10.35 14.62 110.76 -146.33 -87.43 124.49 99.86 0.10 0.05 99.68 0.13 0.10 0.02 0.00 0.00 0.05 0.01