# 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 S C C 72.89 4.14 12.30 17.75 113.01 -155.31 -90.88 141.93 99.85 0.04 0.11 99.76 0.07 0.07 0.08 0.00 0.00 0.01 0.01 1 N C C 107.51 3.37 9.98 14.83 103.38 -58.36 -83.27 10.19 59.26 0.85 39.89 52.02 1.29 5.50 38.74 1.72 0.00 0.39 0.34 2 A H H 73.53 2.86 10.24 14.45 97.39 83.76 -69.34 -33.96 46.78 1.28 51.94 33.40 5.89 7.69 49.09 2.85 0.00 0.62 0.45 3 M H H 113.99 3.13 11.89 16.23 95.39 54.48 -69.24 -36.80 32.23 1.62 66.15 23.57 4.77 5.91 60.76 3.59 0.01 0.88 0.51 4 A H H 55.45 5.79 11.88 19.25 94.48 53.26 -66.60 -37.62 21.46 0.89 77.65 12.82 3.90 6.45 71.41 4.60 0.02 0.52 0.28 5 G H H 37.24 4.69 13.68 19.76 94.60 52.27 -65.01 -38.62 20.46 0.64 78.90 10.09 3.66 8.08 71.81 5.71 0.03 0.38 0.24 6 Q H H 103.07 3.16 15.24 18.96 94.47 52.23 -68.15 -36.20 17.14 0.67 82.20 7.29 3.30 7.74 71.82 9.11 0.06 0.42 0.24 7 A H H 46.22 7.70 13.49 22.71 93.74 56.37 -67.39 -35.77 20.03 0.77 79.19 7.14 3.42 9.94 66.62 12.01 0.09 0.50 0.28 8 F H H 88.80 11.17 13.15 24.80 94.52 56.94 -71.45 -24.24 26.84 1.57 71.59 9.87 4.54 12.44 55.37 16.08 0.14 0.99 0.57 9 R H H 143.84 4.95 16.27 22.41 94.42 65.93 -71.09 -24.36 46.63 2.56 50.81 14.85 8.08 23.04 36.27 15.14 0.16 1.59 0.86 10 K C T 125.65 4.54 18.51 23.51 97.89 52.64 -87.53 -10.35 62.59 5.08 32.33 20.45 11.45 30.99 17.94 14.16 0.10 3.67 1.24 11 F C C 41.83 19.90 12.68 31.67 117.94 90.03 -96.33 132.02 64.97 31.38 3.66 49.78 11.80 2.49 2.59 1.49 0.01 23.58 8.27 12 L C C 80.73 7.57 23.43 31.45 117.25 -164.11 -116.66 123.73 60.71 39.05 0.24 57.77 2.56 0.19 0.17 0.10 0.00 35.70 3.51 13 P C C 31.29 20.38 14.18 33.94 114.59 -122.94 -70.66 141.79 54.03 45.32 0.65 52.58 1.26 0.37 0.35 0.30 0.00 35.71 9.44 14 L C C 69.05 10.22 18.80 29.63 117.16 -147.78 -99.44 132.83 87.77 10.85 1.37 70.47 13.40 3.26 0.40 1.09 0.00 6.56 4.83 15 F C T 110.33 7.50 20.52 28.08 109.84 -20.34 63.27 -136.13 93.34 5.12 1.54 3.19 35.57 54.96 0.14 1.37 0.00 3.63 1.12 16 D C T 66.23 13.32 18.70 31.55 98.07 -31.32 -83.09 25.94 96.26 2.75 0.99 7.04 34.02 55.20 0.07 1.04 0.00 2.35 0.28 17 R C C 58.51 15.05 22.03 37.00 130.70 106.65 -117.31 152.11 64.34 35.33 0.33 41.57 22.69 1.23 0.05 0.34 0.00 31.73 2.39 18 V E E 4.47 24.48 21.86 46.59 122.15 -142.14 -111.60 135.22 18.02 81.96 0.01 17.83 0.34 0.02 0.00 0.01 0.00 80.93 0.86 19 L E E 12.89 19.63 26.66 46.12 115.35 -139.63 -95.74 128.85 1.38 98.62 0.00 1.35 0.03 0.00 0.00 0.00 0.00 98.55 0.06 20 V E E 4.52 25.03 20.73 45.78 127.52 -170.24 -123.63 141.56 0.49 99.51 0.00 0.47 0.01 0.00 0.00 0.00 0.00 99.50 0.01 21 E E E 68.97 11.53 24.69 36.13 119.95 -142.81 -101.21 135.54 0.67 99.32 0.00 0.59 0.03 0.00 0.00 0.00 0.00 99.36 0.02 22 R E E 75.31 17.26 16.12 32.62 112.78 -120.35 -77.63 132.64 9.39 90.49 0.12 8.77 0.43 0.08 0.04 0.05 0.00 90.23 0.41 23 S C C 54.39 9.41 17.26 27.34 100.40 -152.16 -80.84 -24.59 72.08 25.06 2.86 48.77 18.79 4.26 0.48 2.37 0.00 24.40 0.93 24 A C C 59.95 5.92 16.74 23.57 124.43 9.24 -117.19 147.65 78.09 13.72 8.19 44.25 26.26 8.55 1.52 6.32 0.02 11.27 1.82 25 A C C 62.65 8.88 13.01 22.90 114.63 -127.59 -86.34 136.19 83.28 9.12 7.59 68.07 10.80 4.61 1.85 5.74 0.00 7.37 1.56 26 E C C 103.62 6.95 13.55 21.94 119.30 -143.61 -99.69 138.20 84.39 12.07 3.53 74.39 7.73 2.36 1.34 2.08 0.00 10.05 2.06 27 T C C 73.89 7.64 11.82 21.01 119.29 -151.00 -105.35 134.29 71.39 26.99 1.61 63.69 5.70 1.16 0.79 0.76 0.00 25.29 2.59 28 V E B 90.05 4.93 11.95 18.77 121.03 -154.34 -113.01 137.03 22.81 76.39 0.80 20.54 1.68 0.26 0.85 0.21 0.00 33.64 42.81 29 T C C 67.76 6.57 8.73 16.97 122.00 -148.90 -93.43 159.28 78.99 20.54 0.46 76.36 2.04 0.48 0.23 0.20 0.00 17.22 3.47 30 K C T 173.27 1.00 10.08 11.65 101.72 -93.44 -68.59 27.91 91.16 6.76 2.08 4.15 7.45 80.31 0.39 1.44 0.01 5.37 0.88 31 G C T 62.97 0.93 10.52 11.28 96.63 32.29 13.69 1.48 97.76 0.60 1.64 2.23 6.91 88.70 0.25 1.31 0.00 0.43 0.16 32 G C S 52.30 3.00 10.72 14.90 98.65 -95.41 84.93 4.48 95.48 3.08 1.44 19.12 66.66 9.92 0.20 1.21 0.00 2.09 0.80 33 I C C 88.11 5.63 9.62 17.22 118.10 130.06 -92.96 140.12 75.09 24.52 0.39 51.03 23.65 1.39 0.17 0.30 0.00 17.68 5.78 34 M E B 110.90 4.94 13.31 19.99 114.96 -138.06 -95.46 129.60 18.92 80.73 0.35 13.43 4.51 0.51 0.31 0.14 0.00 39.18 41.91 35 L C C 51.35 12.85 10.28 24.01 119.28 -151.42 -101.31 136.90 71.78 27.91 0.31 64.54 5.63 0.44 0.16 0.16 0.00 27.34 1.72 36 P C C 56.45 5.98 14.30 22.18 113.90 -108.88 -64.80 148.86 82.59 11.57 5.84 73.21 6.63 2.46 2.86 2.99 0.00 9.84 2.01 37 E H G 131.47 4.44 12.40 18.75 93.38 -114.89 -60.31 -32.86 28.57 1.66 69.77 11.85 5.91 11.46 9.79 59.50 0.00 1.19 0.29 38 K H G 151.46 1.67 15.24 17.12 93.11 62.80 -69.86 -19.67 25.72 1.46 72.83 8.74 4.94 12.60 10.78 61.62 0.01 1.03 0.27 39 S H G 33.17 13.09 10.46 24.03 96.93 56.90 -87.12 -2.99 27.57 1.06 71.37 12.29 5.16 10.43 8.70 62.48 0.00 0.64 0.28 40 Q C T 96.00 9.44 12.09 22.54 109.29 108.98 -70.54 123.76 79.03 2.24 18.73 24.37 15.18 40.21 7.42 10.35 0.03 1.03 1.41 41 G C T 54.68 2.87 16.18 19.79 99.28 17.62 82.82 -0.93 93.29 1.70 5.01 23.48 25.42 44.72 1.51 3.23 0.00 1.03 0.60 42 K C C 111.66 5.34 16.01 22.88 121.44 99.77 -98.36 147.22 92.65 6.16 1.19 46.43 43.36 3.41 0.28 0.89 0.00 4.48 1.15 43 V C C 70.03 11.53 15.98 28.00 117.40 -112.56 -91.85 133.72 72.95 26.63 0.42 65.30 5.57 1.01 0.10 0.32 0.00 26.09 1.61 44 L E E 28.60 17.82 16.53 34.46 122.56 -159.67 -110.06 136.26 24.00 75.93 0.07 22.04 1.50 0.16 0.02 0.05 0.00 75.05 1.18 45 Q E E 81.40 10.25 24.08 34.36 122.62 -151.75 -108.15 135.60 6.55 93.44 0.01 5.62 0.74 0.04 0.00 0.01 0.00 93.34 0.25 46 A E E 6.04 21.93 18.24 40.23 140.44 164.65 -147.30 164.27 2.36 97.64 0.00 2.04 0.17 0.01 0.00 0.00 0.00 97.73 0.05 47 T E E 39.16 10.24 26.68 38.18 119.64 -116.49 -104.96 134.46 0.50 99.50 0.00 0.47 0.01 0.00 0.00 0.00 0.00 99.50 0.01 48 V E E 5.80 24.72 17.41 43.11 109.98 -121.20 -77.80 124.00 0.12 99.88 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.88 0.00 49 V E E 42.77 11.48 24.73 36.96 100.06 175.61 -95.60 -32.65 0.60 99.40 0.00 0.38 0.09 0.00 0.00 0.00 0.00 99.52 0.00 50 A E E 25.09 11.93 25.72 38.36 140.73 0.42 -155.25 151.23 0.75 99.24 0.00 0.53 0.09 0.01 0.00 0.00 0.00 99.37 0.01 51 V E E 30.18 21.89 17.09 37.74 125.83 -160.19 -127.09 134.89 4.05 95.94 0.02 3.45 0.41 0.04 0.00 0.01 0.00 95.77 0.31 52 G C C 15.78 12.59 19.44 32.50 127.17 -139.10 -90.59 172.71 60.49 39.40 0.11 46.51 11.92 0.91 0.01 0.12 0.00 39.89 0.64 53 S C C 72.31 5.28 21.84 27.38 106.91 -77.24 -73.25 128.40 81.12 18.66 0.22 48.81 27.88 3.56 0.02 0.27 0.00 18.71 0.74 54 G C C 22.69 14.36 15.25 29.32 124.83 -125.31 95.37 171.65 62.51 37.26 0.23 44.65 14.59 2.99 0.03 0.27 0.00 36.29 1.19 55 S E E 40.53 10.00 16.69 27.75 130.00 -115.85 -122.22 158.04 16.55 83.38 0.08 14.42 1.93 0.20 0.02 0.06 0.00 81.36 2.02 56 K E E 127.87 5.23 15.12 22.13 119.59 -121.97 -102.19 137.35 6.44 93.51 0.05 5.56 0.46 0.04 0.05 0.02 0.00 74.28 19.59 57 G C C 23.63 9.85 9.20 20.28 125.47 -140.42 -87.12 174.30 96.11 3.84 0.04 95.35 1.10 0.17 0.01 0.03 0.00 2.85 0.50 58 K C T 172.50 1.05 11.30 12.77 105.58 -70.37 -67.90 116.03 96.60 1.38 2.02 1.48 6.66 87.93 0.06 2.58 0.00 0.99 0.31 59 G C T 67.05 0.46 11.91 10.76 97.50 13.58 70.57 2.69 97.82 0.15 2.03 0.59 5.37 91.24 0.04 2.62 0.00 0.09 0.05 60 G C S 48.56 4.26 9.89 15.82 98.60 -90.73 85.25 3.62 97.88 0.40 1.72 12.98 80.73 4.27 0.09 1.56 0.00 0.20 0.17 61 E C C 117.31 2.15 13.41 16.56 118.05 132.72 -82.61 144.55 97.04 2.91 0.05 91.26 5.63 0.29 0.01 0.05 0.00 2.29 0.46 62 I E E 81.65 11.14 9.89 21.81 115.32 -125.92 -89.80 131.22 5.88 94.10 0.02 5.34 0.35 0.02 0.02 0.01 0.00 75.91 18.36 63 Q E E 83.87 6.56 15.98 24.07 123.86 -169.79 -119.95 139.59 20.03 79.96 0.01 19.15 0.74 0.03 0.00 0.01 0.00 79.28 0.78 64 P E E 83.39 6.58 17.09 24.96 114.86 -104.30 -65.42 145.32 36.19 63.74 0.07 32.45 2.78 0.22 0.02 0.06 0.00 61.09 3.38 65 V C C 27.29 19.93 11.81 31.19 115.06 -128.09 -90.97 133.72 92.50 7.39 0.11 79.55 12.36 0.81 0.02 0.11 0.00 6.22 0.92 66 S C C 65.54 5.34 23.88 29.47 109.28 -151.62 -99.53 107.05 91.54 8.38 0.08 80.95 10.38 0.56 0.02 0.08 0.00 5.90 2.12 67 V C C 9.86 24.29 11.65 35.68 124.62 99.02 -117.53 142.52 83.35 16.61 0.04 82.91 1.62 0.05 0.01 0.02 0.00 7.60 7.80 68 K C C 116.73 3.28 24.27 27.69 128.59 -158.85 -117.74 155.44 84.66 15.30 0.04 85.98 0.90 0.04 0.02 0.01 0.00 5.36 7.69 69 V C T 77.91 12.13 14.75 27.27 109.74 -84.45 -59.43 134.58 99.47 0.43 0.10 0.13 1.29 98.28 0.00 0.05 0.00 0.19 0.06 70 G C T 41.74 4.50 20.07 25.44 96.49 26.15 89.68 -7.05 99.93 0.05 0.02 0.17 1.35 98.43 0.00 0.01 0.00 0.03 0.00 71 D C C 34.47 13.72 16.47 31.55 118.19 135.04 -69.30 146.56 98.55 1.45 0.00 98.08 0.67 0.01 0.00 0.00 0.00 1.20 0.04 72 K E E 82.08 11.78 23.49 35.30 119.31 -132.99 -102.13 133.40 0.71 99.29 0.00 0.78 0.01 0.00 0.00 0.00 0.00 98.94 0.27 73 V E E 4.51 24.81 19.94 44.90 129.06 -172.42 -125.77 144.01 0.06 99.94 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.93 0.00 74 L E E 30.47 15.52 26.40 42.15 115.70 -138.25 -98.54 127.11 0.94 99.06 0.00 0.89 0.01 0.00 0.00 0.00 0.00 99.08 0.02 75 L E E 7.09 24.48 18.13 42.66 121.85 -166.37 -113.41 133.41 37.10 62.90 0.01 36.22 0.58 0.01 0.00 0.01 0.00 62.87 0.30 76 P C C 37.78 11.61 20.49 32.90 114.83 -111.46 -67.05 152.94 67.87 16.09 16.04 59.62 4.04 3.22 1.10 15.26 0.00 16.32 0.44 77 E C T 111.36 8.99 18.83 28.08 96.47 -102.82 -65.63 -25.38 65.72 1.61 32.66 3.93 15.10 44.85 0.92 33.79 0.00 1.06 0.34 78 Y C T 131.57 6.95 19.03 26.60 99.99 49.48 -90.66 22.08 63.51 2.39 34.09 5.44 11.59 44.18 1.08 35.56 0.00 1.60 0.55 79 G C C 22.26 15.34 16.01 30.80 107.10 122.68 -73.33 87.62 84.17 6.31 9.52 33.11 24.16 26.97 0.67 9.55 0.00 4.16 1.38 80 G C C 22.52 15.67 16.70 31.46 125.50 44.06 112.27 127.58 72.97 24.87 2.16 33.66 17.53 22.40 0.18 2.18 0.00 23.07 0.98 81 T E E 53.32 9.70 20.65 30.95 127.72 -115.96 -120.26 149.18 30.20 69.63 0.17 26.23 3.07 0.34 0.04 0.15 0.00 69.48 0.69 82 K E E 112.89 8.62 18.36 28.03 116.62 -120.30 -87.71 133.45 5.32 94.67 0.01 5.09 0.18 0.01 0.00 0.00 0.00 94.57 0.14 83 V E E 21.77 16.86 13.03 30.38 131.12 -177.02 -129.94 152.79 1.07 98.93 0.00 1.00 0.03 0.00 0.00 0.00 0.00 98.95 0.01 84 V E E 83.55 5.06 17.91 24.09 116.16 -130.65 -103.54 126.03 0.83 99.17 0.00 0.74 0.04 0.00 0.00 0.00 0.00 99.20 0.03 85 L E E 36.86 16.26 9.40 25.25 119.16 176.52 -128.82 119.14 5.70 94.24 0.06 3.55 1.18 0.51 0.01 0.05 0.00 94.50 0.19 86 D C T 115.68 2.47 13.29 16.97 94.71 -18.27 52.60 40.66 99.70 0.18 0.12 0.27 3.79 95.68 0.00 0.12 0.00 0.12 0.02 87 D C T 134.29 0.72 13.29 13.25 94.39 -46.00 66.38 13.08 99.82 0.09 0.08 0.28 3.83 95.74 0.00 0.09 0.00 0.06 0.01 88 K E E 97.47 6.33 12.44 20.75 126.70 101.11 -116.73 146.89 3.87 96.13 0.01 2.39 1.04 0.06 0.00 0.00 0.00 96.39 0.11 89 D E E 75.34 7.36 16.47 25.12 113.45 -120.98 -84.98 129.04 1.28 98.72 0.00 1.13 0.02 0.00 0.00 0.00 0.00 98.83 0.01 90 Y E E 29.29 17.61 15.66 33.78 133.25 176.55 -132.68 153.74 0.26 99.74 0.00 0.25 0.00 0.00 0.00 0.00 0.00 99.75 0.00 91 F E E 27.42 16.39 21.90 38.77 121.56 -138.00 -111.13 135.23 0.10 99.90 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.90 0.00 92 L E E 26.20 16.90 24.15 40.94 115.92 -149.39 -101.43 126.13 0.53 99.47 0.00 0.48 0.01 0.00 0.00 0.00 0.00 99.50 0.01 93 F E E 8.70 23.45 18.10 41.66 129.30 -172.72 -122.59 147.58 5.86 94.14 0.00 5.83 0.11 0.00 0.00 0.00 0.00 93.88 0.18 94 R C C 97.79 7.36 25.11 32.59 119.61 -116.97 -78.88 154.22 53.16 46.76 0.08 53.00 0.70 0.04 0.01 0.05 0.00 45.63 0.57 95 D H G 60.57 16.75 16.16 32.11 92.15 -106.62 -58.62 -32.26 6.41 0.11 93.47 0.21 0.48 4.94 0.35 93.93 0.00 0.08 0.00 96 G H G 43.58 5.80 22.68 29.31 90.90 61.10 -69.50 -15.47 5.84 0.11 94.05 0.13 0.36 4.86 0.32 94.24 0.00 0.08 0.01 97 D H G 25.49 17.77 19.12 37.09 94.42 60.36 -91.58 -6.98 7.81 0.33 91.86 1.13 1.02 4.31 0.39 92.87 0.00 0.27 0.01 98 I E E 9.40 24.58 16.07 41.17 111.02 99.13 -80.69 121.52 10.41 89.57 0.02 10.06 0.58 0.03 0.01 0.01 0.00 88.33 0.98 99 L E E 53.84 11.29 23.51 35.40 99.31 177.85 -95.82 -26.50 8.68 91.31 0.01 5.34 3.23 0.06 0.00 0.00 0.00 91.32 0.05 100 G E E 11.44 11.64 23.53 36.34 146.41 -34.41 164.33 171.73 0.44 99.56 0.00 0.33 0.05 0.00 0.00 0.00 0.00 99.60 0.01 101 K E E 73.20 15.37 19.67 34.60 129.70 -112.22 -130.41 145.60 0.41 99.59 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.59 0.02 102 Y E E 63.49 15.13 15.21 30.63 117.31 -137.70 -102.35 129.26 8.84 91.14 0.02 8.12 0.41 0.03 0.00 0.01 0.00 91.09 0.34 103 V C C 73.34 8.10 13.91 23.55 122.17 -167.85 -117.06 138.98 63.68 36.28 0.04 61.55 0.66 0.13 0.01 0.02 0.00 37.21 0.42 104 D C C 112.16 3.13 15.34 19.71 107.46 -103.28 -76.74 109.11 99.88 0.12 0.00 99.75 0.13 0.04 0.00 0.00 0.00 0.08 0.00