NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.6735 8.2876 120.3926 56.1692 31.7551 175.4320 2 K 3.9507 8.1986 117.4303 58.7816 32.6068 176.6598 3 C 4.9284 8.0240 116.0844 56.3198 43.2839 174.7159 4 D 4.6189 7.6593 119.3225 53.6968 41.5468 177.0847 5 I 3.8511 8.2601 117.6256 63.5233 37.3345 177.9730 6 T 3.8747 8.4792 118.5205 66.9328 68.1904 176.0354 7 L 3.9528 8.0896 120.9210 57.7546 41.6458 179.2760 8 Q 4.0238 8.0217 119.0988 59.1400 29.1981 177.6851 9 E 3.9879 8.3164 119.6795 59.5126 29.4067 179.5151 10 I 3.6624 7.9043 119.6928 64.4276 37.1969 178.6062 11 I 3.6195 7.7825 120.5930 64.1442 37.0236 178.2127 12 K 3.8174 8.4391 120.8455 60.0628 31.8728 178.9341 13 T 3.9049 7.7367 115.2695 66.5661 68.2763 176.8839 14 L 3.9743 8.2448 121.3326 57.7955 41.3784 179.2026 15 N 4.2548 8.3749 116.0968 56.2251 38.6759 177.2309 16 S 4.1744 7.9740 113.9369 61.3367 62.6226 175.7988 17 L 3.9160 8.1103 122.3159 58.2696 41.4609 179.6317 18 T 4.1235 8.0482 105.6415 63.1028 68.8710 174.6758 19 E 4.4545 8.0660 120.9202 56.2438 30.1430 175.3875 20 Q 4.5499 7.7189 119.2416 53.9136 30.2279 174.8788 21 K 4.6034 8.5735 123.5637 54.6709 34.6914 174.8654 22 T 4.8158 7.9124 115.1720 59.9753 71.6108 173.4359 23 L 4.2185 8.5828 119.6162 57.4674 42.0578 178.5451 24 C 5.1051 8.3937 115.0229 56.6525 43.1259 175.5924 25 T 3.9618 8.0412 110.6631 63.3494 68.6898 175.4093 26 E 4.4136 7.9930 120.3844 56.8734 30.4647 176.2762 27 L 4.4525 7.7631 119.6357 55.0360 42.8917 176.3674 28 T 5.1486 8.4873 111.1009 60.6350 71.2906 174.0207 29 V 4.6087 8.5523 115.3337 59.3168 35.8265 175.3949 30 T 4.1621 8.3856 119.4938 64.2742 69.0740 174.8108 31 D 4.7366 9.2811 127.6054 52.6571 39.6784 176.2862 32 I 3.6276 7.9224 118.5730 63.1468 37.7538 177.9962 33 F 4.9289 7.7977 117.7880 57.6527 38.5555 175.6947 34 A 4.5532 7.7850 121.9190 51.7831 19.3128 178.2083 35 A 4.2739 7.2874 119.3426 52.0628 19.0946 177.6398 36 S 4.4682 8.3322 113.0690 58.7014 63.2341 174.3423 37 K 3.9171 8.1354 114.3078 58.9896 29.4689 176.5226 38 N 5.0619 8.1393 112.7870 51.8348 37.3118 174.2741 39 T 4.6570 7.3785 106.1770 59.7775 72.4978 174.4322 40 T 4.0058 8.2505 113.9807 61.5577 70.6808 174.8761 41 E 3.5026 8.4732 121.6800 59.4209 29.4970 179.1393 42 K 3.9278 7.7780 117.8880 59.3266 32.0780 178.8296 43 E 3.9301 7.9116 119.7833 59.4076 29.4578 179.0502 44 T 3.8304 7.7042 115.8248 66.6363 68.4372 176.6943 45 F 4.5256 7.9439 119.8449 60.7805 38.9049 176.8650 46 C 4.0123 8.5312 118.3156 59.7021 39.6991 175.9250 47 R 3.8042 8.2313 119.5142 59.0927 29.6743 178.8737 48 A 4.0978 8.2343 120.5078 55.2896 18.4508 179.6044 49 A 4.1779 7.8322 120.7938 54.7024 18.0974 180.1385 50 T 3.9799 7.5211 114.4333 67.0860 68.6332 177.4910 51 V 3.7816 7.6328 114.1916 64.1055 31.3921 178.7404 52 L 3.9924 7.8895 119.0695 57.5646 41.4411 179.4120 53 R 2.9591 7.9934 118.7257 59.1197 30.0591 178.2905 54 Q 3.6808 7.8687 117.8447 59.0105 28.7346 178.8796 55 F 3.8883 8.0957 121.3447 61.5847 39.5291 176.7973 56 Y 4.4193 8.4164 117.4745 60.2089 37.5125 178.4088 57 S 4.1732 7.4488 116.4062 61.8449 62.9886 175.9908 58 H 4.4108 7.9662 117.7114 57.9054 28.9364 176.4395 59 H 4.8088 7.8824 115.6370 55.2858 29.4477 175.7876 60 E 4.1175 8.1588 122.0999 58.6175 29.5427 177.7554 61 K 4.6489 7.8349 116.0758 55.8998 33.1162 175.1097 62 D 4.5719 7.9008 119.4675 53.8035 41.6025 177.1512 63 T 3.8411 8.6691 123.7161 66.9740 68.4606 176.2898 64 R 4.0858 8.4826 118.9809 58.3034 30.1314 177.1803 65 C 4.8292 8.0354 114.6881 57.4686 37.0200 175.6854 66 L 3.8165 7.7171 120.6755 55.3327 41.3248 177.8759 67 G 4.0621 7.8932 103.9827 45.5929 0.0000 173.1135 68 A 4.1620 9.1060 125.5131 54.1262 19.4722 178.8304 69 T 4.5091 7.7051 105.2928 60.0308 72.1916 175.5180 70 A 4.1179 8.3991 122.7310 55.5585 18.3842 179.6554 71 Q 4.0110 8.1173 117.4805 59.4573 29.1744 178.4243 72 Q 4.0623 8.1281 118.8538 58.8006 28.7307 178.4193 73 F 4.8811 8.4215 123.0573 61.1416 39.4145 176.3938 74 H 3.8986 8.6647 118.3423 59.6429 29.5556 177.3656 75 R 3.8547 8.1966 119.5698 59.2209 29.7526 178.5210 76 H 4.1768 8.3888 118.1221 59.4115 29.8775 177.5778 77 K 3.7889 8.0272 120.3058 59.2415 31.7958 179.2208 78 Q 3.8050 8.1993 120.3240 58.9018 28.8899 178.0180 79 L 4.0260 8.0030 121.4108 58.2692 42.1611 178.9022 80 I 3.6753 7.8191 119.8517 64.3725 37.0539 178.2424 81 R 3.7689 8.0173 119.4800 59.7253 29.8243 178.3636 82 D 4.3474 8.1526 118.5034 57.1838 40.7130 178.7407 83 L 4.0337 8.1361 119.7791 57.7346 41.5991 179.7509 84 K 3.6756 8.0062 118.2356 59.1852 32.0277 179.2748 85 A 3.9915 8.0110 121.0930 54.9398 18.2238 179.4482 86 L 3.8474 8.2563 119.2047 58.3091 42.3523 178.6176 87 D 4.2520 8.4470 118.3416 57.4060 41.3072 178.0367 88 R 4.1358 8.5189 119.5613 59.7843 30.0617 178.2241 89 N 4.3800 8.1456 115.8343 56.2104 38.5292 177.3930 90 L 3.8127 8.0621 120.4947 57.6755 41.6836 179.6855 91 W 4.6655 8.4673 119.1514 59.7121 28.7020 178.8248 92 G 3.7258 8.0372 104.8904 47.7207 0.0000 175.2527 93 L 4.2023 7.8273 121.6094 57.8101 42.2171 178.4551 94 A 4.3954 8.7106 120.4066 53.3923 18.5844 177.9464 95 G 4.0845 7.9693 103.6130 45.7922 0.0000 173.1960 96 L 4.3893 7.9276 116.2476 54.2955 44.9222 173.6213 97 N 4.9565 9.0461 122.1687 52.9815 39.7896 174.7330 98 S 4.6055 7.9487 113.5088 56.8980 63.0177 173.1333 99 C 4.6514 8.3316 121.3439 53.6396 41.8855 171.9660 100 P 4.4211 0.0000 0.0000 62.8661 31.5590 176.6180 101 V 4.3400 8.2805 115.0285 59.8809 33.4836 175.6216 102 K 4.5030 8.5014 122.8117 55.8659 32.9037 176.4472 103 E 4.0824 7.9855 118.8796 56.4484 30.1289 176.8212 104 A 4.1621 8.5914 125.8410 54.8694 19.4261 177.8501 105 N 4.3117 8.1106 114.1189 54.7825 39.8556 173.3073 106 Q 5.2247 8.7379 124.4341 54.2585 30.9490 174.9708 107 S 5.0594 8.7122 117.9090 56.0919 66.7749 173.8730 108 T 4.3935 8.4313 110.5224 61.5277 69.3789 174.7899 109 L 3.7816 8.7358 125.3191 58.4284 42.0086 179.1610 110 E 3.9145 8.3018 119.0233 59.5551 29.5829 178.6738 111 N 4.3868 8.3291 116.4154 56.0958 38.5147 177.1261 112 F 4.1960 8.4858 122.1682 61.4940 39.4380 177.2635 113 L 4.0072 8.3103 118.5856 57.8343 41.3961 179.3205 114 E 3.8804 8.0986 118.3282 59.3454 29.3672 179.4652 115 R 3.6353 7.7397 118.8046 59.1403 30.0100 178.3513 116 L 3.5906 7.6769 120.3337 57.6465 41.9365 178.7461 117 K 3.8036 8.1097 119.9058 59.7459 32.0711 178.8911 118 T 3.7684 7.5892 115.8530 66.7270 68.2991 176.6880 119 I 3.6389 7.5092 121.6135 64.6354 37.0516 178.5056 120 M 4.0877 8.2939 119.8058 58.4947 31.7171 179.0878 121 R 3.9218 8.3337 118.6555 58.9897 30.1698 178.8030 122 E 3.9245 8.3763 119.3685 59.1384 29.4486 178.8298 123 K 3.9668 8.0873 117.6213 59.6928 32.4482 178.2546 124 Y 4.1052 8.2157 119.5942 60.8562 38.3011 177.9328 125 S 4.2331 8.5229 114.2552 61.6403 62.2347 176.2142 126 K 4.1863 8.0647 119.2875 58.8184 31.8827 178.1885 127 C 4.4497 7.9751 116.7563 57.5821 40.4473 173.6493 128 S 4.7337 6.8086 112.7575 55.7596 65.0516 174.2534 129 S 4.2712 8.4091 114.1318 58.6980 62.7550 174.0973 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 H 8.29 4.67 0.00 3.26 3.39 0.00 5.84 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 K 8.20 3.95 0.00 2.03 1.99 0.00 1.62 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.49 7.81 3 C 8.02 4.93 0.00 2.91 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 D 7.66 4.62 0.00 2.77 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.26 3.85 1.89 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.52 0.92 0.00 0.00 6 T 8.48 3.87 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 7 L 8.09 3.95 0.00 1.78 1.85 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.02 4.02 0.00 2.38 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.88 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 9 E 8.32 3.99 0.00 2.18 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 10 I 7.90 3.66 1.93 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.73 0.81 0.00 0.00 11 I 7.78 3.62 1.78 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.59 0.76 0.00 0.00 12 K 8.44 3.82 0.00 1.74 2.05 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.47 7.81 13 T 7.74 3.90 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 14 L 8.24 3.97 0.00 1.74 1.66 0.88 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 15 N 8.37 4.25 0.00 2.84 2.84 0.00 0.00 7.01 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 7.97 4.17 0.00 3.89 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.11 3.92 0.00 1.84 1.72 0.91 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.05 4.12 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 19 E 8.07 4.45 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 20 Q 7.72 4.55 0.00 2.25 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.57 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 21 K 8.57 4.60 0.00 1.68 1.66 0.00 1.73 0.00 0.00 1.78 0.00 0.00 3.10 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.39 7.81 22 T 7.91 4.82 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 23 L 8.58 4.22 0.00 1.70 1.87 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 24 C 8.39 5.11 0.00 3.06 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.04 3.96 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 26 E 7.99 4.41 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 27 L 7.76 4.45 0.00 1.91 1.63 0.66 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 28 T 8.49 5.15 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 29 V 8.55 4.61 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.45 0.00 0.00 30 T 8.39 4.16 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 31 D 9.28 4.74 0.00 2.84 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 I 7.92 3.63 1.65 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 -0.36 0.81 0.00 0.00 33 F 7.80 4.93 0.00 3.19 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.78 4.55 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 7.29 4.27 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.33 4.47 0.00 4.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 K 8.14 3.92 0.00 1.93 1.98 0.00 1.61 0.00 0.00 1.76 0.00 0.00 3.14 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.49 7.81 38 N 8.14 5.06 0.00 2.80 2.85 0.00 0.00 6.02 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 T 7.38 4.66 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 40 T 8.25 4.01 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 41 E 8.47 3.50 0.00 1.88 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.20 0.00 42 K 7.78 3.93 0.00 1.82 1.95 0.00 1.74 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.77 1.52 7.81 43 E 7.91 3.93 0.00 1.96 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 44 T 7.70 3.83 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 45 F 7.94 4.53 0.00 3.14 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 C 8.53 4.01 0.00 3.19 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.23 3.80 0.00 2.06 1.89 0.00 3.17 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 48 A 8.23 4.10 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 A 7.83 4.18 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.52 3.98 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 51 V 7.63 3.78 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.54 0.00 0.00 52 L 7.89 3.99 0.00 1.91 1.81 1.07 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.99 2.96 0.00 2.39 2.10 0.00 3.46 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.37 0.00 54 Q 7.87 3.68 0.00 2.23 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.57 0.00 0.00 0.00 0.00 0.00 2.29 2.58 0.00 55 F 8.10 3.89 0.00 3.12 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 8.42 4.42 0.00 3.28 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.45 4.17 0.00 3.83 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 H 7.97 4.41 0.00 2.88 2.96 0.00 5.61 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 H 7.88 4.81 0.00 2.94 3.15 0.00 5.65 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.16 4.12 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 61 K 7.83 4.65 0.00 1.78 1.79 0.00 1.84 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.43 7.81 62 D 7.90 4.57 0.00 2.90 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.67 3.84 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 64 R 8.48 4.09 0.00 1.85 1.99 0.00 3.12 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 65 C 8.04 4.83 0.00 2.98 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.72 3.82 0.00 1.62 1.60 0.89 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 67 G 7.89 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 A 9.11 4.16 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 T 7.71 4.51 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 70 A 8.40 4.12 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 8.12 4.01 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.86 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 72 Q 8.13 4.06 0.00 2.41 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.59 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 73 F 8.42 4.88 0.00 3.16 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 H 8.66 3.90 0.00 3.21 3.53 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 R 8.20 3.85 0.00 2.13 1.99 0.00 3.23 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 76 H 8.39 4.18 0.00 3.47 3.63 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 K 8.03 3.79 0.00 1.66 1.62 0.00 1.42 0.00 0.00 1.03 0.00 0.00 2.13 0.00 0.00 2.44 0.00 0.00 0.00 0.00 1.20 0.81 7.81 78 Q 8.20 3.80 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 79 L 8.00 4.03 0.00 1.88 1.81 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 80 I 7.82 3.68 1.76 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.62 0.90 0.00 0.00 81 R 8.02 3.77 0.00 1.98 2.06 0.00 3.04 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 82 D 8.15 4.35 0.00 2.92 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 8.14 4.03 0.00 1.88 1.90 1.08 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 84 K 8.01 3.68 0.00 1.70 1.63 0.00 1.37 0.00 0.00 1.40 0.00 0.00 2.71 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.38 0.21 7.81 85 A 8.01 3.99 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 8.26 3.85 0.00 1.79 1.93 0.88 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.45 4.25 0.00 3.27 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.52 4.14 0.00 2.03 2.19 0.00 3.18 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 89 N 8.15 4.38 0.00 2.94 2.80 0.00 0.00 7.06 6.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.06 3.81 0.00 1.60 1.47 0.85 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 91 W 8.47 4.67 0.00 3.36 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 G 8.04 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 L 7.83 4.20 0.00 1.77 1.80 0.89 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.71 4.40 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 G 7.97 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.93 4.39 0.00 1.64 1.65 1.01 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 97 N 9.05 4.96 0.00 2.58 2.38 0.00 0.00 6.94 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 S 7.95 4.61 0.00 3.98 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 C 8.33 4.65 0.00 3.09 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 P 0.00 4.42 0.00 2.07 2.04 0.00 3.63 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 101 V 8.28 4.34 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.90 0.00 0.00 102 K 8.50 4.50 0.00 1.71 1.80 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.42 7.81 103 E 7.99 4.08 0.00 1.92 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.38 0.00 104 A 8.59 4.16 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 N 8.11 4.31 0.00 2.89 2.77 0.00 0.00 7.02 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 Q 8.74 5.22 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.57 0.00 0.00 0.00 0.00 0.00 2.43 2.29 0.00 107 S 8.71 5.06 0.00 3.97 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 T 8.43 4.39 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 109 L 8.74 3.78 0.00 1.14 1.66 0.41 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 110 E 8.30 3.91 0.00 2.18 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 111 N 8.33 4.39 0.00 2.89 2.91 0.00 0.00 6.71 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 F 8.49 4.20 0.00 3.17 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 8.31 4.01 0.00 1.75 1.70 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.10 3.88 0.00 2.12 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 115 R 7.74 3.64 0.00 1.76 1.60 0.00 2.78 0.00 0.00 2.87 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.53 0.00 116 L 7.68 3.59 0.00 1.50 1.59 1.02 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 117 K 8.11 3.80 0.00 1.85 1.88 0.00 1.76 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.41 7.81 118 T 7.59 3.77 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 119 I 7.51 3.64 1.80 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.37 0.98 0.00 0.00 120 M 8.29 4.09 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.81 0.00 121 R 8.33 3.92 0.00 1.96 1.92 0.00 3.03 0.00 0.00 3.02 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 122 E 8.38 3.92 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 123 K 8.09 3.97 0.00 2.00 1.97 0.00 2.11 0.00 0.00 2.10 0.00 0.00 3.20 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.73 1.54 7.81 124 Y 8.22 4.11 0.00 3.10 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 S 8.52 4.23 0.00 3.99 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 K 8.06 4.19 0.00 1.93 1.86 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.16 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.57 1.63 7.81 127 C 7.98 4.45 0.00 2.95 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 S 6.81 4.73 0.00 3.97 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 S 8.41 4.27 0.00 4.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00