NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2132 8.1633 120.2928 54.6862 33.1476 174.2240 2 K 3.9534 8.5134 126.3789 56.2226 32.5076 175.7820 3 G 3.9395 8.5654 113.8355 44.9869 0.0000 171.6947 4 D 4.6513 8.4473 119.3248 54.0970 42.0122 177.1655 5 T 3.8566 8.8592 122.8084 66.8699 68.5138 176.6553 6 K 3.8047 8.1622 120.9014 59.2314 32.2387 178.8224 7 V 3.9010 8.5888 118.8639 66.1094 31.4886 178.0369 8 I 3.7478 7.8083 119.4780 64.5390 36.8833 178.0612 9 N 4.2702 8.3107 117.3471 56.4639 38.3388 176.9682 10 Y 4.0799 8.0362 118.0109 61.1131 38.0498 178.5170 11 L 3.8497 8.4637 120.0792 58.1341 41.7315 179.3484 12 N 4.2691 8.6013 116.4492 56.1766 38.5110 177.3910 13 K 3.8529 8.1440 121.0261 59.4523 32.3754 178.7461 14 L 3.8133 8.1579 119.5713 57.6524 41.4094 178.9757 15 L 3.9607 7.8233 120.5777 58.4460 41.7729 179.1761 16 G 3.6989 8.2764 105.5331 48.0371 0.0000 175.3089 17 N 4.3561 7.9584 118.3522 56.2609 38.5817 177.4255 18 E 4.1118 8.3013 120.2614 59.2695 29.6270 179.3577 19 L 4.2291 8.3752 120.1373 58.2676 40.4072 179.7588 20 V 3.6280 7.7012 120.4806 64.6010 31.4070 178.1076 21 A 3.7950 7.9846 121.5184 54.9044 18.3083 179.6330 22 I 3.7667 8.2248 118.6123 64.6836 37.1368 178.5134 23 N 4.3966 7.7681 116.5468 56.3019 38.4045 177.3387 24 Q 3.8325 8.3093 121.3055 59.3983 29.0885 178.0614 25 Y 4.3428 8.2527 118.0760 60.9082 37.9288 178.0104 26 F 3.8402 8.3141 121.3514 61.0995 39.4897 176.6254 27 L 3.9241 8.2257 120.0430 58.6815 41.8283 178.3381 28 H 3.7276 8.2692 115.8479 58.9010 28.6314 177.1576 29 A 4.1545 8.3862 122.4868 55.7191 18.1400 179.9486 30 R 3.8340 7.7522 115.5056 58.6727 30.1108 179.3000 31 M 3.4446 7.7599 119.3852 58.1372 31.8832 178.4988 32 F 4.5351 7.6659 118.2191 60.4865 39.1321 177.5326 33 K 3.8577 8.3687 119.4915 59.6116 31.7853 177.9044 34 N 4.2338 7.8929 115.8845 56.8423 38.9113 176.4180 35 W 4.7408 7.8889 117.3875 57.9304 29.2612 177.2819 36 G 4.0180 8.2302 107.4695 45.6259 0.0000 174.9562 37 L 4.4784 8.0218 121.7371 53.1787 38.1792 177.2586 38 K 3.8568 7.9211 122.8965 60.0813 32.5357 177.2550 39 R 3.9392 8.3545 118.8778 59.0547 29.9158 178.3487 40 L 4.1362 7.9315 118.9551 57.1878 41.6332 178.6658 41 N 4.5223 8.1718 116.6462 56.7880 38.9878 176.2675 42 D 4.2934 8.1444 120.2401 57.5296 40.9398 179.2281 43 V 3.3352 7.4799 118.0510 66.0611 31.4531 178.0008 44 E 3.6999 8.3527 118.4565 59.1036 29.2706 178.6618 45 Y 3.8996 8.1096 119.8473 61.1483 38.9305 178.0649 46 H 4.2204 8.1329 116.6288 58.5037 28.5997 177.6293 47 E 3.6863 7.9070 120.9034 58.7068 29.1552 178.8556 48 S 4.1502 8.0234 113.8054 61.5536 62.3836 176.3283 49 I 3.5542 7.3044 122.2147 64.2648 36.8697 177.5883 50 D 4.2353 7.7975 118.7337 57.7569 40.9436 178.4474 51 E 4.1713 8.4404 118.9413 59.6371 29.3427 179.4476 52 M 4.0607 8.0300 118.8594 58.2630 32.0287 178.7446 53 K 3.8952 8.1555 118.7298 59.7377 32.2240 178.8920 54 H 4.0534 8.0508 115.9649 58.8623 28.6263 177.4114 55 A 4.2348 8.2547 122.4980 55.4848 18.1496 178.8457 56 D 4.3323 8.2428 116.4263 57.8225 41.2859 178.9463 57 R 3.8463 7.8363 118.1225 59.4341 30.0164 178.5784 58 Y 4.3365 7.6943 116.3499 61.2674 37.9364 178.7428 59 I 3.7647 8.2356 120.9619 64.7560 37.2840 178.4527 60 E 4.0998 8.5827 119.3398 58.8915 29.2073 179.5361 61 R 4.0151 7.9217 118.8518 59.4921 30.3222 178.2424 62 I 3.7529 8.4703 119.9892 64.6876 37.1586 178.3612 63 L 4.0813 8.1102 119.4966 57.8003 41.2091 179.4299 64 F 4.4265 8.0607 119.7030 61.1765 39.6839 176.4436 65 L 4.3102 8.3147 117.7966 53.7104 41.1438 176.9501 66 E 3.6099 7.9161 117.5140 57.5413 27.1213 174.4746 67 G 3.9780 8.3901 107.4958 43.9426 0.0000 173.7070 68 L 4.5409 8.0188 118.9495 51.9934 42.2302 175.2529 69 P 4.4155 0.0000 0.0000 62.4907 31.7732 175.8322 70 N 4.7119 9.5147 122.4415 52.4541 38.7586 173.8501 71 L 4.6483 8.3727 124.7357 54.6040 42.2473 177.3596 72 Q 4.2051 8.5805 122.6658 57.5296 29.5882 175.7944 73 D 4.6944 8.0419 117.2416 52.7227 41.9819 175.2337 74 L 4.5698 8.2835 125.4345 52.7079 44.0420 176.3407 75 G 3.7767 8.4802 115.2665 44.7885 0.0000 171.9337 76 K 4.0996 8.3031 120.6569 55.5296 32.2130 176.5362 77 L 4.0228 8.4060 127.1304 54.6423 42.1394 176.2016 78 N 4.8406 8.7510 121.3495 52.0234 40.3807 174.0514 79 I 3.9024 8.6081 126.8766 63.7317 37.7996 178.1168 80 G 4.1833 8.2240 101.9755 45.9278 0.0000 172.6045 81 E 4.7590 8.7503 116.4555 55.7325 31.7699 176.3006 82 D 5.0659 7.6983 117.7518 50.3373 43.9615 176.1129 83 V 4.0418 8.5440 119.0517 66.8322 31.3460 177.3665 84 E 3.8761 8.2642 117.9050 59.4203 29.4901 177.9121 85 E 3.9600 8.6247 119.2494 59.8072 29.6150 179.0587 86 M 4.2006 8.4193 116.9004 58.2431 31.5871 178.3427 87 L 4.1377 8.7385 120.6312 57.7420 41.8581 179.5887 88 R 3.9294 8.5532 118.8654 59.2504 30.0480 178.5401 89 S 4.0975 8.1830 113.0645 61.5874 62.4882 175.7358 90 D 4.3102 8.1515 121.5784 57.3572 40.4683 178.8101 91 L 4.0251 8.2386 120.4828 58.1869 42.1905 178.7899 92 A 3.9843 8.1428 120.7173 54.9933 18.2148 179.4993 93 L 3.8986 7.8286 118.4039 58.3864 42.2530 178.9010 94 E 4.0796 8.2526 118.5481 59.4974 29.4844 179.3715 95 L 4.0492 8.2680 119.1804 58.0222 41.8063 179.3848 96 D 4.5310 8.2719 118.9924 57.1572 40.6933 178.9762 97 G 3.6925 8.3944 106.0382 47.2366 0.0000 175.8455 98 A 4.0285 8.1207 123.3521 54.7521 18.4412 179.3160 99 K 3.7960 7.8908 117.7629 60.0041 32.2181 178.6087 100 N 4.5117 8.0553 116.0927 56.3835 38.4017 177.3594 101 L 3.9826 8.1415 120.3730 57.8472 41.7565 179.7672 102 R 3.9062 8.3644 118.3115 59.2495 29.8783 178.7237 103 E 3.8742 8.0639 117.9156 59.4922 29.4495 179.3004 104 A 2.7740 7.7076 120.3487 54.8663 18.3853 179.5335 105 I 3.6933 8.0200 118.7971 64.6150 37.2588 178.7640 106 G 3.6479 7.8360 105.8685 47.9399 0.0000 175.1392 107 Y 3.9571 7.6717 121.4710 60.2432 38.9411 177.0965 108 A 3.7911 8.1425 122.2306 55.5243 18.4177 179.0298 109 D 4.0590 7.9021 116.3196 57.4958 41.0397 178.6047 110 S 4.1077 7.3773 112.9233 60.4748 63.2084 175.7465 111 V 3.9053 6.8367 114.1166 60.7905 31.3982 176.0615 112 H 2.9512 7.0412 114.0532 56.5797 27.0933 176.4209 113 D 4.5347 7.3061 121.4293 53.4905 37.8056 176.2212 114 Y 4.2923 7.5041 121.3754 60.3051 38.3536 178.0369 115 V 3.7572 7.8225 120.0078 64.5909 31.8806 178.2628 116 S 4.1594 8.4542 115.9030 61.4304 62.6334 176.6154 117 R 3.8842 8.0839 121.0951 59.5422 29.8517 177.9566 118 D 4.3160 8.2834 117.8242 57.6510 41.2390 177.8933 119 M 4.0083 8.3802 118.9688 58.8911 32.1285 178.0381 120 M 4.1144 8.4275 119.1905 58.4481 32.1377 178.7916 121 I 3.7032 8.0693 120.1499 64.4667 37.4185 178.2922 122 E 3.9723 8.1103 119.2683 59.3727 29.1789 179.4722 123 I 3.5214 7.6758 119.7733 64.3702 37.1642 178.1910 124 L 3.9321 8.1607 121.3207 58.0821 41.8396 178.8736 125 R 3.8948 8.1292 118.6852 59.6120 29.9933 178.2382 126 D 4.3282 7.9192 118.2501 57.3204 40.8142 178.6761 127 E 3.9346 8.3217 119.2483 59.4137 29.4818 178.8050 128 E 4.1008 8.6571 119.9199 59.2689 29.6214 179.0063 129 G 3.7143 7.9683 105.5329 48.3911 0.0000 175.3077 130 H 4.4426 8.1011 119.1798 58.4262 28.6230 177.8579 131 I 3.8126 8.4669 122.0037 64.5655 37.0374 177.5316 132 D 4.4243 8.5294 119.1689 57.3820 40.9353 178.4971 133 W 4.1283 8.3082 128.2433 60.5030 30.8319 177.6851 134 L 3.7486 8.3569 118.9347 58.0279 41.1627 179.4184 135 E 3.9326 8.4591 118.4856 59.7734 29.3576 179.7042 136 T 3.8154 7.8767 115.5866 66.5724 68.4968 176.6811 137 E 3.7882 7.7122 120.4311 59.3538 29.5274 179.3545 138 L 3.7697 7.7285 118.9237 57.9225 41.6297 179.3809 139 D 4.3972 8.0588 118.6981 56.9762 40.6736 178.7860 140 L 4.0195 7.9164 119.8264 57.7828 41.4761 179.3991 141 I 3.4223 7.5429 119.7808 64.4258 36.6753 178.4817 142 Q 3.9856 7.2569 117.1417 58.6186 28.6814 178.4196 143 K 4.1407 7.8771 118.9907 59.0242 32.3283 178.4991 144 M 4.3810 8.2604 114.3610 53.8298 32.3786 176.9639 145 G 4.1282 7.3803 105.9452 45.9535 0.0000 174.5892 146 L 3.8895 8.3959 121.1394 58.1185 42.1881 179.0477 147 Q 3.9971 8.1661 117.4965 59.4904 28.8163 179.0484 148 N 4.3671 8.1574 116.5343 56.2581 38.3681 176.6982 149 Y 3.9418 7.8134 120.1484 60.7129 39.2524 177.6899 150 L 4.1179 8.4783 120.2777 58.0823 41.8577 179.3993 151 Q 3.9515 8.1113 119.0346 59.0481 28.7915 177.8248 152 A 4.1340 7.5910 119.5330 53.7325 18.6104 178.2858 153 Q 4.2907 7.6241 115.7423 55.6988 29.1017 177.6268 154 I 3.8604 7.5213 121.5956 63.6631 37.4073 176.6509 155 R 4.6160 7.5479 117.2823 54.1360 32.0723 175.9581 156 E 4.1431 8.5444 117.0619 56.7156 29.8511 176.6015 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 M 8.16 4.21 0.00 1.51 1.65 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.47 0.00 2 K 8.51 3.95 0.00 1.71 1.72 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.47 7.81 3 G 8.57 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 4 D 8.45 4.65 0.00 2.77 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.86 3.86 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 1.18 0.00 0.00 6 K 8.16 3.80 0.00 1.73 1.98 0.00 1.48 0.00 0.00 1.14 0.00 0.00 2.56 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.72 1.03 7.81 7 V 8.59 3.90 2.36 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 1.08 0.00 0.00 1.21 0.00 0.00 8 I 7.81 3.75 2.04 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.52 0.92 0.00 0.00 9 N 8.31 4.27 0.00 2.62 2.66 0.00 0.00 7.08 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 8.04 4.08 0.00 3.29 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.46 3.85 0.00 2.02 1.78 1.08 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.60 4.27 0.00 2.85 2.83 0.00 0.00 6.73 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.14 3.85 0.00 1.79 1.98 0.00 1.60 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.45 1.46 7.81 14 L 8.16 3.81 0.00 1.05 1.22 0.91 0.53 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 15 L 7.82 3.96 0.00 1.67 1.85 1.07 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.28 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.96 4.36 0.00 3.00 2.90 0.00 0.00 7.02 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.30 4.11 0.00 2.26 2.28 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 2.71 2.87 0.00 19 L 8.38 4.23 0.00 1.87 1.95 0.94 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.70 3.63 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 1.00 0.00 0.00 0.89 0.00 0.00 21 A 7.98 3.79 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 8.22 3.77 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.36 0.90 0.00 0.00 23 N 7.77 4.40 0.00 3.01 2.85 0.00 0.00 6.70 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 8.31 3.83 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.82 0.00 0.00 0.00 0.00 0.00 2.24 2.09 0.00 25 Y 8.25 4.34 0.00 3.18 3.03 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 26 F 8.31 3.84 0.00 3.40 3.11 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 0.00 27 L 8.23 3.92 0.00 1.94 1.59 0.88 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.27 3.73 0.00 3.47 3.25 0.00 5.71 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.39 4.15 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.75 3.83 0.00 1.72 1.87 0.00 3.24 0.00 0.00 3.06 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.63 0.00 31 M 7.76 3.44 0.00 0.93 1.63 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.16 0.00 32 F 7.67 4.54 0.00 3.29 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.37 3.86 0.00 1.95 1.89 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.43 7.81 34 N 7.89 4.23 0.00 2.70 2.72 0.00 0.00 7.37 8.46 0.00 0.00 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 W 7.89 4.74 0.00 3.75 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.23 4.02 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 0.00 0.00 0.00 37 L 8.02 4.48 0.00 2.16 1.68 1.10 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.92 3.86 0.00 1.97 1.85 0.00 1.59 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.62 1.59 7.81 39 R 8.35 3.94 0.00 2.02 2.03 0.00 3.35 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.85 0.00 40 L 7.93 4.14 0.00 1.66 0.93 1.08 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.17 4.52 0.00 3.14 3.01 0.00 0.00 7.21 8.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.14 4.29 0.00 2.96 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.48 3.34 1.71 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 -0.63 0.00 0.00 0.72 0.00 0.00 44 E 8.35 3.70 0.00 2.26 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 3.06 0.00 45 Y 8.11 3.90 0.00 2.93 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 46 H 8.13 4.22 0.00 3.25 3.22 0.00 5.67 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.91 3.69 0.00 1.20 1.12 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 0.00 1.70 1.90 0.00 48 S 8.02 4.15 0.00 4.02 3.87 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.30 3.55 1.87 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.50 0.85 0.00 0.00 50 D 7.80 4.24 0.00 2.94 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.44 4.17 0.00 2.10 2.19 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 2.73 2.80 0.00 52 M 8.03 4.06 0.00 2.05 2.22 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.55 0.00 53 K 8.16 3.90 0.00 1.86 1.83 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.63 7.81 54 H 8.05 4.05 0.00 3.57 3.37 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.25 4.23 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.24 4.33 0.00 2.88 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.84 3.85 0.00 1.80 1.76 0.00 3.14 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 58 Y 7.69 4.34 0.00 3.25 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 59 I 8.24 3.76 2.06 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.08 0.95 0.00 0.00 60 E 8.58 4.10 0.00 2.01 2.02 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 2.35 2.58 0.00 61 R 7.92 4.02 0.00 2.18 2.22 0.00 3.38 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.85 0.00 62 I 8.47 3.75 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.74 0.95 0.00 0.00 63 L 8.11 4.08 0.00 2.08 1.80 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.06 4.43 0.00 3.02 3.31 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 65 L 8.31 4.31 0.00 1.78 1.61 0.98 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.92 3.61 0.00 2.07 2.03 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 2.17 2.36 0.00 67 G 8.39 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.02 4.54 0.00 1.62 1.62 0.92 1.00 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 69 P 0.00 4.42 0.00 2.06 2.03 0.00 3.67 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 70 N 9.51 4.71 0.00 2.59 2.81 0.00 0.00 7.10 7.69 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 71 L 8.37 4.65 0.00 1.63 1.63 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.58 4.21 0.00 1.96 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.26 6.70 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 73 D 8.04 4.69 0.00 2.68 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.28 4.57 0.00 1.52 1.50 0.91 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.48 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.30 4.10 0.00 1.72 1.74 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.45 7.81 77 L 8.41 4.02 0.00 1.64 1.57 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.75 4.84 0.00 2.63 2.69 0.00 0.00 7.22 8.05 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 79 I 8.61 3.90 1.89 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.93 0.92 0.00 0.00 80 G 8.22 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.75 4.76 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 82 D 7.70 5.07 0.00 2.81 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.54 4.04 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 1.24 0.00 0.00 84 E 8.26 3.88 0.00 2.03 1.92 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 2.32 2.26 0.00 85 E 8.62 3.96 0.00 2.42 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 86 M 8.42 4.20 0.00 2.33 1.76 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.93 0.00 87 L 8.74 4.14 0.00 1.99 1.78 1.25 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.55 3.93 0.00 2.07 1.94 0.00 3.10 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 89 S 8.18 4.10 0.00 4.09 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 90 D 8.15 4.31 0.00 3.18 2.89 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 91 L 8.24 4.03 0.00 1.84 1.86 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 92 A 8.14 3.98 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 93 L 7.83 3.90 0.00 1.92 1.82 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.25 4.08 0.00 2.28 2.12 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 0.00 2.57 2.74 0.00 95 L 8.27 4.05 0.00 2.03 1.74 0.96 1.40 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 96 D 8.27 4.53 0.00 2.84 2.73 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 97 G 8.39 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 98 A 8.12 4.03 1.42 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 0.00 0.00 0.00 99 K 7.89 3.80 0.00 2.03 2.03 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.52 7.81 100 N 8.06 4.51 0.00 3.02 2.90 0.00 0.00 7.11 6.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.14 3.98 0.00 2.00 1.74 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.36 3.91 0.00 1.96 1.98 0.00 3.15 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.99 0.00 103 E 8.06 3.87 0.00 2.18 1.81 0.00 0.00 0.00 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 2.37 0.00 104 A 7.71 2.77 0.97 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 0.00 0.00 105 I 8.02 3.69 2.05 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.61 0.91 0.00 0.00 106 G 7.84 3.65 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 0.00 0.00 0.00 107 Y 7.67 3.96 0.00 3.09 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.14 3.79 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 0.00 109 D 7.90 4.06 0.00 2.75 2.80 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 0.00 0.00 0.00 0.00 110 S 7.38 4.11 0.00 3.97 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 6.84 3.91 1.92 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 0.54 0.00 0.00 0.60 0.00 0.00 112 H 7.04 2.95 0.00 3.19 3.34 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 0.00 113 D 7.31 4.53 0.00 2.64 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 Y 7.50 4.29 0.00 3.12 2.98 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 0.00 0.00 0.00 115 V 7.82 3.76 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.99 0.00 0.00 116 S 8.45 4.16 0.00 4.14 4.05 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 0.00 117 R 8.08 3.88 0.00 1.89 2.20 0.00 3.32 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 118 D 8.28 4.32 0.00 3.05 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 M 8.38 4.01 0.00 2.22 2.02 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 120 M 8.43 4.11 0.00 2.13 2.28 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.81 0.00 121 I 8.07 3.70 2.01 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.88 0.92 0.00 0.00 122 E 8.11 3.97 0.00 1.98 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 2.45 2.49 0.00 123 I 7.68 3.52 1.96 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.58 0.73 0.00 0.00 124 L 8.16 3.93 0.00 1.76 1.85 0.95 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 125 R 8.13 3.89 0.00 1.93 2.12 0.00 3.15 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 126 D 7.92 4.33 0.00 3.00 2.69 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 0.00 0.00 0.00 127 E 8.32 3.93 0.00 2.14 2.17 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 2.57 2.53 0.00 128 E 8.66 4.10 0.00 2.31 2.14 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 2.34 2.42 0.00 129 G 7.97 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 H 8.10 4.44 0.00 3.54 3.55 0.00 5.65 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.47 3.81 2.12 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.84 0.97 0.00 0.00 132 D 8.53 4.42 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 0.00 133 W 8.31 4.13 0.00 3.56 3.50 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 0.00 134 L 8.36 3.75 0.00 2.01 1.76 1.30 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.46 3.93 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 136 T 7.88 3.82 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 137 E 7.71 3.79 0.00 1.56 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 138 L 7.73 3.77 0.00 1.73 1.62 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 139 D 8.06 4.40 0.00 2.77 2.66 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 0.00 140 L 7.92 4.02 0.00 1.91 1.86 1.01 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.54 3.42 1.69 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.25 0.44 0.69 0.00 0.00 142 Q 7.26 3.99 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.97 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 143 K 7.88 4.14 0.00 1.74 1.86 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.63 7.81 144 M 8.26 4.38 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.87 0.00 145 G 7.38 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 L 8.40 3.89 0.00 1.74 1.66 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 147 Q 8.17 4.00 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 148 N 8.16 4.37 0.00 2.99 2.89 0.00 0.00 6.66 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 0.00 149 Y 7.81 3.94 0.00 3.04 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 L 8.48 4.12 0.00 2.01 1.73 1.08 0.81 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 0.00 151 Q 8.11 3.95 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 152 A 7.59 4.13 1.23 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 0.00 0.00 0.00 153 Q 7.62 4.29 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.76 0.00 0.00 0.00 0.00 0.00 2.08 2.20 0.00 154 I 7.52 3.86 2.01 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 1.31 0.46 0.91 0.00 0.00 155 R 7.55 4.62 0.00 1.77 1.82 0.00 3.19 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 156 E 8.54 4.14 0.00 2.10 2.02 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 2.26 2.28 0.00