# 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 120.54 4.92 12.52 19.13 115.80 -149.34 -92.91 133.06 99.88 0.10 0.01 99.83 0.07 0.03 0.00 0.00 0.00 0.05 0.01 1 A C C 71.56 5.88 10.61 18.12 115.08 -136.19 -87.11 137.71 93.68 3.98 2.33 89.39 1.09 3.94 0.71 1.06 0.00 2.60 1.21 2 K C C 126.76 5.68 12.22 19.53 114.50 -149.33 -95.58 131.28 89.72 7.21 3.07 67.07 14.09 8.26 0.62 2.81 0.00 5.23 1.92 3 N C C 81.87 10.01 14.83 25.36 112.89 -144.62 -92.86 125.62 86.42 10.54 3.04 66.80 14.05 5.29 0.66 2.66 0.00 7.47 3.07 4 F C C 73.95 13.30 19.46 32.39 109.43 -161.86 -96.34 -13.89 83.94 14.63 1.43 59.32 21.24 3.35 0.53 1.06 0.00 8.22 6.27 5 V C C 7.20 24.63 14.77 39.56 124.27 23.78 -115.64 136.51 87.57 12.13 0.30 81.45 6.03 0.57 0.12 0.19 0.00 6.98 4.67 6 Q C C 80.82 7.23 25.56 33.20 128.45 -163.78 -117.96 153.50 91.27 8.65 0.08 90.32 1.92 0.14 0.03 0.04 0.00 4.97 2.58 7 V C T 61.57 15.40 17.79 32.68 110.71 -86.70 -62.24 134.79 97.43 2.39 0.18 0.44 2.17 95.91 0.01 0.10 0.00 1.11 0.26 8 G C T 22.86 11.42 22.12 34.29 97.19 26.21 89.92 -6.91 99.48 0.48 0.04 0.36 2.39 96.86 0.00 0.03 0.00 0.34 0.01 9 R C C 56.68 14.56 22.29 37.07 119.50 125.28 -77.27 147.56 93.56 6.43 0.01 90.04 3.23 0.07 0.00 0.01 0.00 6.49 0.15 10 L E E 29.73 17.88 24.05 41.47 116.14 -126.16 -91.15 132.26 1.39 98.60 0.00 1.45 0.04 0.00 0.00 0.00 0.00 97.45 1.05 11 A E E 2.85 24.15 21.30 45.44 135.89 176.06 -136.22 156.67 0.80 99.19 0.00 0.77 0.02 0.00 0.00 0.00 0.00 99.15 0.05 12 T E E 26.26 13.36 25.34 39.37 118.89 -129.54 -107.23 130.56 6.00 93.99 0.01 5.94 0.12 0.01 0.00 0.00 0.00 93.71 0.22 13 P E E 11.02 20.72 16.19 37.58 110.51 -116.77 -69.92 131.20 39.67 59.57 0.76 36.94 2.33 0.52 0.16 0.58 0.00 57.86 1.61 14 R C C 108.40 8.22 20.55 29.52 97.66 -159.96 -92.34 -16.30 95.74 3.23 1.03 46.98 43.25 5.47 0.08 1.27 0.00 2.41 0.54 15 F C S 103.68 6.48 17.97 25.29 127.41 46.93 -126.93 142.38 97.15 1.71 1.14 11.61 78.71 6.99 0.11 0.92 0.00 0.86 0.79 16 L C S 83.41 6.11 15.06 22.28 126.48 32.58 -96.10 174.39 92.28 1.28 6.45 7.29 74.43 11.03 0.66 4.96 0.00 0.48 1.16 17 A C T 86.12 2.25 16.71 19.30 93.22 -55.35 -65.90 -21.86 87.39 0.26 12.35 1.00 9.59 75.07 0.34 13.70 0.00 0.13 0.18 18 Q C T 47.68 14.90 11.50 26.69 96.24 47.99 -98.97 7.69 89.28 0.45 10.27 3.36 6.52 77.70 0.44 11.51 0.00 0.26 0.22 19 R C T 113.74 8.89 13.71 24.26 111.78 137.32 -63.74 133.22 97.77 0.62 1.60 1.76 2.46 93.65 0.18 1.27 0.00 0.28 0.40 20 N C T 108.24 3.88 19.71 24.33 92.44 17.81 77.19 2.40 98.90 0.38 0.71 1.58 3.29 93.97 0.05 0.76 0.00 0.30 0.06 21 I C C 50.73 12.65 17.86 31.39 119.26 129.81 -89.54 139.28 91.77 7.98 0.25 84.60 6.34 0.60 0.04 0.24 0.00 7.74 0.44 22 L E E 52.20 13.32 23.67 36.96 115.81 -128.76 -87.41 131.86 2.68 97.26 0.06 2.72 0.15 0.03 0.04 0.02 0.00 94.55 2.48 23 Y E E 6.24 24.07 20.80 44.95 138.12 174.72 -142.08 160.04 1.41 98.58 0.01 1.37 0.04 0.00 0.00 0.00 0.00 98.56 0.03 24 V E E 16.50 16.41 26.81 43.82 119.02 -124.05 -105.36 131.99 1.52 98.48 0.00 1.39 0.02 0.00 0.00 0.00 0.00 98.57 0.01 25 I E E 4.59 24.80 19.96 45.75 109.48 -121.84 -76.87 122.75 0.65 99.34 0.01 0.61 0.01 0.00 0.00 0.00 0.00 99.34 0.03 26 T E E 33.86 13.26 23.77 37.47 101.45 174.97 -99.11 -30.43 3.37 96.59 0.04 2.52 0.51 0.06 0.01 0.02 0.00 96.84 0.04 27 D E E 58.08 6.88 25.95 33.63 139.55 -1.21 -154.80 149.78 2.62 97.36 0.03 1.66 0.59 0.07 0.01 0.02 0.00 97.63 0.03 28 I E E 48.61 19.14 12.99 31.33 112.72 -133.05 -98.48 118.93 2.27 97.70 0.03 2.13 0.16 0.03 0.01 0.01 0.00 97.46 0.21 29 Q E E 93.22 4.84 17.76 23.76 101.28 175.56 -93.25 -37.05 24.74 75.07 0.18 17.15 6.61 1.22 0.04 0.15 0.00 74.29 0.55 30 D E E 75.54 2.61 20.36 22.37 138.48 -17.74 -159.20 172.63 48.27 51.39 0.34 7.25 27.50 14.26 0.03 0.34 0.00 49.52 1.11 31 D C T 99.90 7.61 15.74 24.46 93.82 -78.91 -63.26 -18.76 99.55 0.24 0.21 0.75 26.55 72.32 0.01 0.19 0.00 0.15 0.04 32 S C T 52.78 10.39 16.60 27.45 103.13 31.75 -112.54 -4.73 99.49 0.38 0.13 0.73 26.42 72.40 0.00 0.12 0.00 0.29 0.03 33 M E E 54.55 10.29 20.61 32.18 130.87 63.62 -131.62 145.00 3.10 96.89 0.00 2.67 0.26 0.01 0.00 0.00 0.00 96.87 0.19 34 V E E 5.50 22.63 16.36 39.74 130.11 -175.24 -131.50 146.92 0.17 99.83 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.84 0.00 35 I E E 34.82 10.07 24.85 36.50 115.26 -134.16 -95.74 128.36 0.16 99.84 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.86 0.00 36 V E E 7.44 22.02 16.42 38.98 127.01 -173.18 -123.11 141.89 0.25 99.75 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.76 0.00 37 Q E E 71.58 7.80 20.93 29.63 114.89 -137.77 -98.27 125.86 5.82 94.16 0.02 5.31 0.33 0.03 0.00 0.01 0.00 94.11 0.21 38 D C C 32.76 13.26 12.07 26.17 125.45 -162.78 -100.83 165.86 86.94 13.00 0.06 84.29 1.92 0.23 0.01 0.05 0.00 13.05 0.46 39 A C T 79.89 3.98 12.85 18.31 93.38 -94.05 -64.51 -24.18 97.78 1.30 0.92 7.65 20.72 69.33 0.06 1.03 0.00 0.97 0.24 40 Q C T 151.13 0.74 12.80 12.55 97.65 45.71 -89.20 8.22 98.66 0.43 0.91 4.60 21.28 72.66 0.05 1.02 0.00 0.28 0.11 41 G C S 41.78 4.51 11.94 18.06 116.31 -87.12 111.31 -172.72 94.32 5.08 0.60 18.67 73.32 2.82 0.08 0.49 0.00 3.55 1.08 42 T C C 86.51 2.50 15.24 18.34 117.10 102.31 -79.43 143.12 88.53 11.36 0.11 83.58 4.20 0.36 0.02 0.09 0.00 11.07 0.68 43 R E E 107.78 13.34 10.67 23.96 117.56 -128.40 -89.93 134.82 49.36 50.58 0.06 45.62 2.05 0.15 0.01 0.05 0.00 51.71 0.42 44 K E E 93.34 6.41 18.77 26.63 130.79 -174.42 -133.73 147.59 4.26 95.73 0.01 3.81 0.23 0.02 0.00 0.01 0.00 95.83 0.10 45 L E E 88.82 10.89 17.30 28.73 116.42 -123.73 -89.86 131.69 0.83 99.17 0.00 0.74 0.04 0.00 0.00 0.00 0.00 99.19 0.02 46 V E E 19.46 16.87 15.28 32.97 129.83 -175.70 -130.93 145.84 2.01 97.99 0.00 1.87 0.05 0.00 0.00 0.00 0.00 98.02 0.05 47 S E E 42.85 5.92 22.92 29.31 112.64 -106.74 -69.58 139.75 9.72 90.26 0.01 9.97 0.13 0.01 0.00 0.00 0.00 89.58 0.30 48 V H G 24.48 22.47 12.41 34.36 91.65 -127.46 -60.76 -30.10 10.29 0.76 88.95 1.21 1.26 6.75 0.66 89.33 0.00 0.76 0.02 49 K H G 142.07 3.24 20.89 25.20 89.88 66.06 -67.23 -19.02 10.10 0.73 89.17 0.54 1.01 7.67 0.45 89.63 0.00 0.67 0.03 50 S H G 46.57 9.17 18.88 29.26 95.33 54.97 -96.41 -0.65 10.47 0.80 88.73 1.09 1.39 7.08 0.44 89.19 0.00 0.78 0.03 51 L E E 10.29 25.03 11.60 36.32 119.79 93.76 -94.12 137.13 24.94 74.88 0.18 22.48 2.60 0.16 0.05 0.14 0.00 72.80 1.77 52 H E E 97.05 5.98 25.98 32.83 128.30 -172.35 -129.69 143.45 5.52 94.46 0.02 5.48 0.16 0.01 0.01 0.01 0.00 93.10 1.23 53 L E E 48.35 19.68 16.51 35.22 114.60 -113.35 -76.13 136.14 14.42 85.55 0.03 14.00 0.42 0.03 0.02 0.02 0.00 83.77 1.74 54 M C C 35.14 15.96 14.76 31.02 122.52 -130.98 -92.55 159.02 72.96 26.97 0.07 71.95 1.34 0.13 0.01 0.06 0.00 25.96 0.56 55 D C S 113.13 2.91 19.23 22.91 94.61 -128.77 -77.16 -13.10 82.19 17.75 0.06 15.07 64.91 1.29 0.00 0.06 0.00 18.42 0.25 56 D E E 65.56 8.89 17.06 27.02 120.64 80.79 -109.02 136.42 23.14 76.68 0.18 15.27 7.22 1.18 0.02 0.18 0.00 75.52 0.61 57 V E E 67.03 13.62 16.27 29.97 122.32 -161.56 -116.74 132.41 13.99 85.86 0.15 12.99 0.87 0.12 0.07 0.08 0.00 82.94 2.93 58 V E E 19.10 18.28 15.07 33.95 119.12 -159.73 -112.01 127.78 29.47 70.50 0.04 28.76 0.71 0.05 0.01 0.02 0.00 69.69 0.76 59 E E E 125.54 3.56 23.46 27.53 111.23 -134.78 -87.57 123.71 49.15 50.82 0.03 46.29 1.78 0.10 0.01 0.02 0.00 51.12 0.68 60 I C C 18.08 22.66 10.02 31.73 123.77 -171.69 -115.02 137.34 83.80 16.15 0.05 83.02 1.48 0.08 0.02 0.03 0.00 13.50 1.88 61 H C C 110.51 3.35 20.23 23.32 116.41 -118.18 -77.36 147.85 97.33 2.54 0.13 96.88 0.80 0.18 0.03 0.06 0.00 1.44 0.62 62 R C T 144.42 7.75 12.69 21.76 94.62 -107.79 -62.25 -27.83 99.23 0.30 0.47 1.93 9.43 87.93 0.06 0.38 0.00 0.19 0.09 63 D C T 124.94 0.98 16.85 16.59 96.71 40.26 -79.82 11.67 99.45 0.18 0.37 3.10 7.53 88.83 0.04 0.33 0.00 0.14 0.04 64 M C C 37.21 15.91 8.28 23.99 117.21 141.44 -75.84 143.74 99.03 0.76 0.21 79.92 18.73 0.34 0.09 0.10 0.00 0.25 0.57 65 S C C 57.25 2.53 20.26 21.71 120.94 -119.48 -77.16 159.75 98.63 1.12 0.25 97.02 1.50 0.12 0.16 0.03 0.00 0.22 0.95 66 V H H 74.55 12.28 12.23 24.89 91.58 -110.90 -58.20 -38.33 2.33 0.01 97.66 0.58 0.43 1.18 97.35 0.45 0.00 0.00 0.00 67 E H H 134.57 1.34 18.58 18.80 91.83 53.98 -64.03 -40.03 1.17 0.01 98.82 0.24 0.13 0.68 98.46 0.48 0.00 0.00 0.00 68 E H H 82.70 5.13 18.04 24.08 91.87 48.39 -66.20 -40.20 0.59 0.01 99.40 0.16 0.06 0.31 98.97 0.50 0.00 0.00 0.00 69 V H H 7.65 21.33 12.64 34.14 91.81 50.63 -63.65 -43.40 0.44 0.00 99.55 0.09 0.04 0.24 99.29 0.33 0.00 0.00 0.00 70 S H H 41.54 9.79 18.15 28.89 91.51 51.70 -63.20 -40.63 1.59 0.01 98.40 0.17 0.09 1.22 98.03 0.49 0.00 0.00 0.00 71 K H H 131.06 1.45 22.22 21.52 92.14 50.94 -65.34 -40.14 8.55 0.01 91.44 0.28 0.29 8.08 90.59 0.73 0.01 0.01 0.00 72 K H H 68.20 10.16 18.63 29.42 92.99 48.99 -67.32 -39.47 12.35 0.03 87.62 0.92 1.08 9.86 87.03 1.07 0.01 0.01 0.02 73 I H H 14.51 21.20 13.61 34.41 92.96 51.78 -64.74 -41.43 13.19 0.22 86.59 4.92 2.09 6.00 72.33 14.42 0.02 0.12 0.09 74 P H H 71.94 5.16 18.98 24.87 92.09 52.42 -64.40 -38.07 16.45 0.15 83.40 4.41 1.60 9.38 67.44 17.01 0.01 0.09 0.05 75 Q H H 113.64 2.25 19.31 20.87 93.50 52.03 -70.45 -31.64 23.77 0.18 76.05 5.99 2.91 14.08 59.93 16.88 0.03 0.09 0.09 76 Q H H 52.54 13.52 12.43 26.27 97.60 60.78 -75.15 -20.99 48.98 0.53 50.50 29.98 8.49 10.36 45.57 5.10 0.00 0.22 0.28 77 K C C 103.23 9.55 14.57 24.66 97.04 81.57 -68.75 -33.00 59.57 0.94 39.49 46.40 4.71 7.40 37.25 3.40 0.00 0.45 0.38 78 E C H 116.22 3.40 16.22 20.17 96.17 63.94 -68.72 -37.43 49.81 1.11 49.09 40.45 4.42 5.16 44.70 4.33 0.00 0.60 0.33 79 E H H 105.31 4.79 16.18 21.82 95.06 51.86 -69.54 -36.56 36.29 1.28 62.43 26.94 4.14 6.16 53.78 7.85 0.00 0.78 0.35 80 E H H 65.54 13.29 12.35 25.65 94.61 55.33 -70.95 -28.82 30.64 0.97 68.39 19.29 4.09 7.65 54.84 13.23 0.01 0.58 0.30 81 V H H 84.33 6.98 14.29 22.47 94.51 62.43 -70.28 -23.57 35.03 0.61 64.35 13.84 5.28 15.75 50.21 14.27 0.03 0.33 0.28 82 S C H 86.19 1.83 16.43 18.01 96.52 54.59 -88.75 -3.06 50.92 0.68 48.40 15.77 8.23 27.36 34.83 13.03 0.05 0.31 0.42 83 E C C 59.23 12.51 9.37 22.51 118.53 103.30 -82.95 146.92 80.16 1.28 18.55 44.95 27.71 7.19 15.86 3.01 0.01 0.39 0.88 84 N C C 73.47 4.00 16.44 21.08 121.25 -124.58 -83.15 167.12 85.65 1.90 12.45 74.85 6.61 2.92 12.59 1.10 0.00 0.63 1.30 85 D H H 86.93 6.51 14.53 22.43 91.81 -99.40 -60.47 -36.78 5.54 0.04 94.42 1.90 1.41 2.38 93.70 0.58 0.01 0.01 0.02 86 F H H 99.04 6.40 16.33 23.43 92.22 52.37 -65.05 -40.17 2.62 0.01 97.37 0.57 0.34 1.62 96.87 0.59 0.00 0.00 0.01 87 E H H 73.97 5.66 16.53 23.67 92.01 50.18 -65.25 -40.25 1.27 0.01 98.72 0.44 0.17 0.65 98.23 0.51 0.00 0.00 0.00 88 R H H 87.31 7.38 16.34 25.01 91.73 51.86 -63.80 -41.78 0.55 0.00 99.45 0.19 0.06 0.27 99.30 0.18 0.00 0.00 0.00 89 F H H 82.45 6.44 17.47 24.81 92.09 49.62 -64.66 -41.89 0.39 0.00 99.61 0.11 0.03 0.20 99.56 0.09 0.00 0.00 0.00 90 K H H 97.57 5.80 18.16 24.54 91.98 50.78 -64.40 -41.60 0.32 0.00 99.68 0.08 0.02 0.17 99.66 0.06 0.00 0.00 0.00 91 R H H 101.13 6.17 17.68 24.85 92.11 50.05 -64.60 -41.28 0.26 0.00 99.74 0.05 0.02 0.15 99.72 0.05 0.00 0.00 0.00 92 E H H 91.79 4.92 18.68 24.17 92.12 50.12 -64.57 -40.61 0.37 0.00 99.63 0.06 0.02 0.23 99.63 0.05 0.00 0.00 0.00 93 L H H 68.52 6.00 17.37 24.08 92.16 49.92 -64.55 -41.57 0.49 0.00 99.51 0.08 0.03 0.30 99.54 0.05 0.00 0.00 0.00 94 R H H 107.39 5.43 17.62 23.97 91.94 50.70 -64.75 -40.79 0.30 0.00 99.70 0.06 0.02 0.16 99.74 0.03 0.00 0.00 0.00 95 T H H 63.40 4.80 17.40 22.82 92.05 50.53 -64.61 -41.22 0.30 0.00 99.70 0.07 0.02 0.14 99.75 0.02 0.00 0.00 0.00 96 E H H 95.33 3.58 18.46 22.13 92.00 50.09 -64.75 -41.21 0.27 0.00 99.73 0.05 0.01 0.14 99.77 0.02 0.00 0.00 0.00 97 I H H 75.06 4.87 17.21 22.92 92.19 49.31 -64.66 -41.85 0.30 0.00 99.70 0.07 0.02 0.15 99.75 0.02 0.00 0.00 0.00 98 E H H 85.17 5.84 16.51 23.45 91.84 50.44 -63.96 -41.36 0.27 0.00 99.73 0.06 0.01 0.13 99.78 0.02 0.00 0.00 0.00 99 E H H 95.29 3.62 16.82 20.93 91.94 50.51 -64.54 -40.31 0.33 0.00 99.67 0.05 0.02 0.17 99.73 0.03 0.00 0.00 0.00 100 E H H 96.77 2.65 17.14 19.70 92.10 50.57 -64.87 -41.05 0.47 0.00 99.53 0.07 0.03 0.27 99.59 0.05 0.00 0.00 0.00 101 V H H 61.58 4.53 14.55 20.66 92.46 50.17 -64.39 -41.70 0.83 0.00 99.17 0.14 0.06 0.49 99.20 0.12 0.00 0.00 0.00 102 L H H 71.03 5.38 12.34 19.37 92.53 50.35 -64.94 -40.57 1.92 0.01 98.07 0.38 0.16 1.18 97.86 0.41 0.00 0.00 0.00 103 R H H 161.17 1.49 12.86 14.64 92.28 50.39 -66.00 -37.50 5.44 0.02 94.54 0.67 0.37 4.12 93.21 1.61 0.01 0.01 0.01 104 S H H 84.45 1.52 11.89 13.75 93.43 51.31 -70.93 -27.94 18.03 0.04 81.93 1.07 1.04 15.63 80.20 2.00 0.02 0.01 0.02 105 R C T 152.98 2.78 10.40 14.49 97.79 51.01 -86.09 -3.52 59.41 0.16 40.43 3.09 4.17 50.20 39.99 2.34 0.02 0.06 0.13 106 G C T 53.11 2.23 11.50 14.99 103.60 -111.81 78.02 17.61 96.37 0.16 3.47 33.17 1.69 61.78 2.68 0.52 0.00 0.08 0.08 107 F C C 113.93 8.40 10.70 19.95 108.59 131.75 -86.08 104.60 99.93 0.06 0.01 99.87 0.07 0.02 0.00 0.00 0.00 0.03 0.01