# 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 91.21 10.42 9.91 20.96 115.34 -137.45 -84.56 141.03 99.88 0.10 0.02 99.80 0.10 0.03 0.01 0.00 0.00 0.04 0.03 1 K C C 137.23 2.80 11.27 15.62 115.52 -123.57 -82.88 138.97 96.24 1.73 2.03 94.53 0.81 1.48 0.86 0.56 0.00 0.55 1.22 2 T C T 114.78 1.59 10.23 13.34 110.76 -101.72 -65.60 135.59 89.57 1.97 8.46 13.85 12.16 63.16 1.49 7.07 0.00 1.06 1.21 3 G C T 60.64 1.39 12.28 14.11 97.44 19.62 82.32 -2.60 91.96 1.01 7.02 11.55 13.47 66.42 0.84 6.66 0.00 0.62 0.43 4 I C C 84.91 7.34 10.53 19.33 102.12 94.28 -86.91 -14.46 82.93 9.04 8.04 43.73 25.53 13.15 1.67 6.44 0.02 3.53 5.93 5 H C C 80.52 10.45 10.27 21.62 117.33 62.67 -104.56 128.51 93.44 5.46 1.10 65.28 25.75 2.46 0.29 0.92 0.00 2.93 2.37 6 P C C 69.21 7.02 13.24 21.86 113.04 -115.98 -69.28 151.47 94.15 2.97 2.88 47.53 14.92 31.12 0.24 3.48 0.00 2.18 0.53 7 E C C 136.31 2.92 16.59 20.36 109.46 -104.41 -79.55 118.13 84.82 11.77 3.41 38.01 15.83 30.93 0.24 4.07 0.00 9.95 0.96 8 Y C C 82.16 15.06 10.44 25.02 124.66 169.22 -112.39 143.22 60.69 38.67 0.65 52.74 6.74 1.02 0.16 0.57 0.00 32.87 5.89 9 R C E 116.19 6.43 17.78 25.33 122.08 -157.68 -112.52 138.79 50.39 49.56 0.05 44.54 4.88 0.22 0.01 0.05 0.00 49.16 1.14 10 P E E 67.59 9.21 18.16 27.90 114.09 -104.24 -68.06 144.86 38.26 61.72 0.02 34.25 2.27 0.08 0.00 0.01 0.00 63.08 0.30 11 V E E 21.82 17.09 15.07 32.82 127.24 -166.48 -124.36 144.19 4.58 95.42 0.00 4.28 0.14 0.00 0.00 0.00 0.00 95.48 0.10 12 V E E 42.50 10.32 20.77 32.51 117.80 -143.45 -106.36 128.43 0.54 99.46 0.00 0.50 0.01 0.00 0.00 0.00 0.00 99.49 0.00 13 F E E 34.53 16.18 17.80 34.65 123.98 -168.46 -116.51 137.87 0.12 99.88 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.88 0.00 14 V E E 47.75 9.50 19.00 30.10 118.80 -156.91 -113.48 127.45 0.61 99.39 0.00 0.57 0.02 0.00 0.00 0.00 0.00 99.38 0.03 15 D E E 27.70 12.11 13.01 27.23 109.03 -141.13 -87.43 117.08 24.86 75.11 0.03 23.25 0.82 0.10 0.00 0.02 0.00 75.36 0.44 16 T C T 82.51 5.49 14.51 21.86 93.71 -161.83 -70.79 -24.27 98.27 0.26 1.48 0.65 5.69 91.84 0.04 1.56 0.00 0.18 0.04 17 S C T 82.80 2.18 14.48 16.59 96.68 50.28 -76.79 -36.27 98.28 0.12 1.60 0.37 5.31 92.57 0.03 1.62 0.00 0.06 0.03 18 T C T 72.26 4.43 12.69 18.41 102.34 22.73 -106.77 -11.15 98.14 0.36 1.50 2.48 9.50 85.88 0.06 1.74 0.00 0.25 0.09 19 D C C 107.88 3.46 13.90 19.05 94.53 -126.76 63.89 27.38 98.07 1.57 0.36 62.74 8.91 26.40 0.06 0.34 0.00 1.28 0.28 20 F C C 83.75 8.02 13.05 22.99 119.11 147.27 -84.60 142.15 70.33 29.62 0.06 68.13 1.38 0.16 0.01 0.05 0.00 29.87 0.42 21 K E E 108.12 9.46 15.32 26.30 125.36 -163.63 -124.67 140.32 1.07 98.92 0.01 0.98 0.08 0.01 0.00 0.01 0.00 98.87 0.05 22 F E E 68.96 11.81 16.84 29.67 129.04 -172.83 -130.63 141.85 0.11 99.89 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.88 0.00 23 L E E 80.61 10.05 17.91 28.66 115.98 -126.19 -88.11 129.67 0.41 99.59 0.00 0.36 0.01 0.00 0.00 0.00 0.00 99.63 0.01 24 S E E 35.91 13.52 16.22 29.98 126.98 -167.62 -119.04 156.94 7.95 92.04 0.01 6.27 1.03 0.09 0.00 0.01 0.00 92.53 0.08 25 G E E 29.59 8.29 20.61 29.53 130.96 -15.23 124.64 173.47 14.68 85.29 0.03 9.75 4.69 0.31 0.00 0.03 0.00 84.98 0.24 26 S E E 35.21 15.02 15.20 29.99 131.93 -128.85 -128.02 156.85 21.26 78.66 0.09 18.43 2.31 0.24 0.02 0.08 0.00 77.31 1.62 27 T C E 64.86 9.54 17.06 27.32 109.87 -136.89 -100.08 85.04 53.99 45.65 0.36 37.16 16.25 1.73 0.10 0.36 0.00 40.74 3.67 28 K C C 105.46 8.65 14.57 24.17 118.28 26.26 -97.91 138.87 77.43 21.37 1.20 35.14 34.37 9.21 0.20 1.12 0.00 17.68 2.27 29 S C C 80.71 3.82 15.44 20.51 108.72 -124.90 -90.98 119.67 90.20 8.63 1.18 51.90 26.45 12.09 0.15 1.28 0.00 6.81 1.33 30 S C C 47.12 9.46 10.79 21.41 125.86 136.84 -115.98 154.00 89.02 8.45 2.53 49.89 26.47 12.81 0.34 2.60 0.00 6.01 1.87 31 S C C 89.60 2.45 15.14 18.41 99.35 -141.98 -91.84 8.05 88.11 9.88 2.01 49.24 29.46 9.62 0.24 2.04 0.00 8.29 1.11 32 E C C 93.19 7.27 12.67 21.49 118.87 109.09 -90.25 141.91 75.30 23.56 1.14 46.55 25.23 3.29 0.14 1.10 0.00 22.76 0.93 33 T E E 72.77 7.26 13.85 22.65 122.37 -144.07 -111.12 140.74 29.21 70.66 0.13 26.74 1.68 0.20 0.02 0.10 0.00 70.74 0.51 34 I E E 46.75 11.68 11.88 25.17 123.27 -161.47 -117.65 138.84 1.99 98.00 0.01 1.85 0.10 0.01 0.00 0.00 0.00 97.93 0.11 35 K E E 130.52 3.34 14.48 19.20 116.17 -138.79 -99.36 128.11 1.14 98.85 0.00 1.15 0.03 0.00 0.00 0.00 0.00 98.13 0.68 36 W C C 73.36 10.49 7.65 19.16 122.17 -142.15 -84.45 165.18 81.27 18.69 0.04 81.02 0.47 0.08 0.01 0.02 0.00 17.27 1.14 37 E C T 159.87 1.38 10.26 12.47 91.16 -98.63 -62.02 -26.00 97.50 1.69 0.80 0.92 3.79 92.99 0.02 0.77 0.00 1.34 0.17 38 D C T 119.03 0.88 10.25 11.14 92.85 55.02 -86.95 2.46 99.12 0.12 0.75 0.36 3.15 95.56 0.01 0.83 0.00 0.07 0.02 39 G C S 52.82 1.95 10.81 13.97 97.60 -101.45 87.09 5.22 98.65 0.38 0.97 9.54 83.85 5.38 0.06 0.84 0.00 0.20 0.13 40 N C C 80.31 3.85 10.87 16.85 119.37 134.01 -80.46 147.61 97.03 2.94 0.03 94.81 2.19 0.21 0.01 0.02 0.00 2.47 0.30 41 E E E 116.10 5.40 13.04 20.55 119.62 -136.14 -105.56 134.88 1.63 98.37 0.00 1.60 0.08 0.00 0.00 0.00 0.00 96.18 2.14 42 Y E E 59.76 13.01 12.55 26.66 126.25 -172.82 -123.73 143.70 2.99 97.01 0.00 2.83 0.10 0.01 0.00 0.00 0.00 96.96 0.11 43 P E E 58.76 7.09 18.67 26.65 115.19 -106.12 -67.64 147.78 13.07 86.92 0.01 12.10 0.63 0.05 0.00 0.01 0.00 86.94 0.27 44 L E E 57.59 14.22 14.67 29.20 117.68 -126.45 -90.86 133.88 36.36 63.54 0.10 29.56 5.73 0.30 0.02 0.08 0.00 63.74 0.57 45 L E E 43.74 13.71 15.88 30.65 118.63 -148.63 -106.20 130.75 11.31 88.64 0.06 10.54 0.64 0.07 0.02 0.03 0.00 87.96 0.76 46 R E E 130.94 6.92 19.65 27.85 116.68 -150.99 -102.68 126.28 6.18 93.78 0.04 6.02 0.20 0.02 0.01 0.01 0.00 93.05 0.69 47 V E E 33.72 17.14 13.04 30.24 122.66 -173.02 -117.95 135.49 16.50 83.44 0.06 16.44 0.40 0.04 0.02 0.03 0.00 82.38 0.68 48 E E E 109.06 4.92 20.79 26.23 111.46 -136.69 -87.87 122.94 39.02 60.77 0.21 29.02 9.80 0.60 0.06 0.15 0.00 59.28 1.09 49 I C C 46.59 16.81 13.03 29.60 122.53 -155.14 -113.05 136.72 63.36 36.20 0.44 52.96 9.44 0.67 0.18 0.32 0.00 32.55 3.89 50 S C C 38.74 6.95 18.34 26.39 128.61 -159.11 -115.22 162.99 86.82 12.69 0.50 84.23 2.56 0.48 0.19 0.28 0.00 9.26 3.01 51 S C T 64.39 8.83 13.86 23.82 91.38 -107.19 -62.12 -28.01 58.99 0.63 40.38 3.50 6.31 46.54 1.79 41.27 0.00 0.37 0.21 52 D C T 108.38 2.52 17.82 20.70 92.26 63.83 -73.64 -16.48 63.11 0.26 36.64 1.32 4.34 55.43 1.36 37.32 0.00 0.15 0.09 53 S C G 36.82 11.39 13.64 26.09 99.00 50.41 -98.15 -1.61 57.29 1.76 40.96 8.99 12.28 35.28 2.07 39.68 0.01 0.88 0.82 54 H C C 45.27 13.16 12.40 26.62 116.24 103.58 -82.30 140.20 97.07 1.47 1.46 64.91 30.96 0.75 1.15 0.29 0.00 0.30 1.63 55 P H T 67.97 6.53 15.74 23.97 92.28 -127.65 -62.13 -29.85 43.25 0.17 56.58 1.58 2.89 37.01 32.10 26.08 0.07 0.08 0.19 56 F H T 97.28 7.98 14.36 23.45 93.60 57.64 -70.32 -30.82 41.56 0.29 58.16 1.35 2.70 35.60 32.74 27.01 0.17 0.15 0.28 57 Y H H 105.63 8.20 12.97 22.24 95.91 50.48 -76.97 -27.89 38.65 1.25 60.10 3.57 5.15 26.97 32.65 29.52 0.57 0.69 0.88 58 T C T 77.75 4.16 13.25 18.55 98.74 42.00 -94.18 -8.33 56.11 2.77 41.12 7.13 11.61 35.98 27.82 13.22 0.77 1.31 2.16 59 G C T 50.25 4.44 11.96 18.00 98.12 -109.25 77.28 4.45 86.90 1.36 11.73 16.43 24.80 46.29 5.67 5.31 0.01 0.63 0.87 60 K C C 150.31 1.70 13.52 15.60 99.44 94.88 -87.43 -11.43 87.01 2.38 10.61 40.56 27.12 19.44 4.48 5.98 0.01 1.10 1.32 61 Q C C 91.44 8.35 10.08 19.58 113.08 85.78 -95.00 123.93 84.58 4.23 11.19 60.79 15.83 7.58 5.40 6.04 0.00 2.28 2.08 62 K C C 136.48 3.93 13.27 18.63 107.76 -165.01 -94.77 99.24 81.35 6.57 12.08 63.74 11.50 5.49 7.22 5.28 0.00 3.99 2.78 63 H C C 109.73 7.48 11.43 20.00 107.57 -131.27 -86.01 99.54 70.97 11.28 17.74 49.98 13.37 7.29 11.11 7.00 0.03 7.15 4.08 64 A C C 67.96 5.35 12.28 18.97 103.89 66.23 -86.01 16.32 69.84 10.68 19.48 44.74 16.41 8.76 12.75 6.88 0.03 7.28 3.15 65 T C C 81.69 5.62 11.97 18.99 107.28 65.45 -89.53 75.97 72.69 8.17 19.14 49.83 13.24 9.34 13.15 6.35 0.01 5.57 2.51 66 A C C 62.92 6.50 10.56 18.45 101.75 97.62 -77.69 -8.86 67.68 3.87 28.45 26.92 20.25 21.56 21.61 5.81 0.10 2.30 1.44 67 D C T 110.84 2.25 13.35 16.25 102.20 45.58 -84.49 16.95 69.88 0.83 29.30 10.66 21.10 37.95 24.47 4.88 0.06 0.37 0.50 68 G C H 40.75 4.54 13.82 19.54 102.46 -61.47 66.36 -31.54 63.13 1.24 35.63 13.38 24.77 25.01 31.76 3.78 0.11 0.49 0.71 69 R H H 114.88 6.32 15.14 22.26 94.94 64.43 -69.53 -37.47 14.02 1.02 84.95 6.74 3.52 5.37 81.64 1.74 0.08 0.56 0.34 70 V H H 42.97 11.49 13.12 25.51 92.99 52.56 -65.42 -41.66 5.68 0.61 93.71 2.34 1.02 2.77 92.07 1.19 0.05 0.45 0.10 71 D H H 76.99 3.17 16.98 20.51 92.16 51.14 -64.68 -40.72 4.04 0.62 95.34 1.92 0.63 1.90 93.66 1.25 0.02 0.56 0.06 72 R H H 124.12 2.22 17.56 19.28 92.30 50.35 -65.24 -41.12 3.61 0.55 95.84 1.38 0.61 2.01 94.12 1.29 0.03 0.50 0.06 73 F H H 50.15 9.26 13.44 24.57 92.21 50.25 -64.93 -41.92 3.57 0.59 95.84 1.30 0.61 2.05 94.14 1.28 0.04 0.52 0.07 74 N H H 57.62 8.19 12.56 22.40 92.23 51.81 -63.84 -40.14 4.27 0.41 95.32 1.66 0.60 2.31 93.19 1.78 0.02 0.38 0.05 75 K H H 146.86 1.22 14.78 15.49 92.12 50.27 -65.50 -39.28 5.23 0.18 94.58 1.05 0.53 3.66 91.19 3.34 0.03 0.16 0.03 76 K H H 135.35 2.30 13.43 16.51 92.50 51.26 -68.53 -33.87 10.72 0.15 89.14 0.98 0.83 8.68 86.28 3.03 0.05 0.10 0.05 77 Y C H 106.00 7.72 10.50 19.69 98.22 38.15 -98.03 1.11 50.37 0.34 49.29 1.96 3.41 43.67 47.09 3.42 0.09 0.17 0.21 78 G C T 56.85 1.53 14.47 15.92 97.85 -112.52 74.72 21.59 98.23 0.39 1.38 11.99 4.47 82.16 0.74 0.33 0.00 0.21 0.11 79 L C C 70.54 10.24 7.46 18.33 114.61 143.16 -91.18 131.16 97.71 1.55 0.74 96.10 0.88 1.11 0.34 0.18 0.00 0.81 0.58 80 K C C 147.74 2.33 15.42 18.83 116.75 -161.54 -107.48 136.10 99.86 0.13 0.01 99.82 0.07 0.03 0.00 0.00 0.00 0.07 0.01