NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2722 8.2644 123.5751 51.6565 19.4633 176.4583 3 D 4.2234 8.5361 122.9533 54.4230 41.7622 170.9372 4 V 4.0014 8.9062 118.3161 61.8850 33.0630 175.0602 5 H 5.0380 7.7532 117.0683 53.4701 31.8851 173.7191 6 D 4.7225 8.2668 121.3443 52.1585 41.9283 177.0820 7 K 3.7501 8.6212 120.0947 60.0418 31.9451 178.0236 8 A 3.9867 8.0655 119.9389 55.7809 18.1899 179.6596 9 T 3.7949 8.2535 113.9426 66.7038 68.4513 177.0711 10 R 3.8728 8.4164 121.0991 59.5076 29.9789 178.7690 11 S 4.1475 8.3479 115.2147 61.2749 62.9203 176.5444 12 K 3.8915 7.9526 122.3440 59.4823 31.7781 178.1535 13 N 4.2668 8.1577 116.2462 57.2970 38.6758 176.4163 14 M 4.3871 8.4221 120.0851 58.4679 31.8054 178.9973 15 R 4.0363 8.1202 117.4846 58.7678 30.3160 178.3611 16 A 4.3562 7.8010 119.0322 52.8520 18.5269 177.4914 17 I 3.7373 7.0540 118.1318 61.1476 37.1358 176.1189 18 A 4.3425 8.4264 128.8541 51.9660 19.2857 176.7853 19 T 4.3647 7.9892 108.0201 61.2594 69.5475 174.4100 20 R 4.5500 7.7394 116.2931 56.5136 31.6336 173.3338 21 D 4.3551 8.8958 116.4631 55.7294 38.8832 174.9716 22 T 4.3295 7.6297 108.9567 60.5705 71.7101 173.7823 23 A 4.0303 8.5471 122.0273 55.5662 18.2971 179.8200 24 I 3.7871 7.8077 110.9241 64.1621 37.6183 178.1389 25 E 4.2729 7.9252 120.1867 59.1008 29.3143 179.3523 26 K 4.0632 8.4599 118.9986 59.4383 32.0825 179.4385 27 R 3.9172 8.0469 119.0374 59.2107 29.9697 178.2921 28 L 3.6947 7.9130 119.9500 57.8708 42.0309 178.5914 29 A 3.8094 8.2395 120.9547 55.4151 18.3886 179.5130 30 S 4.1559 8.1855 111.4088 61.5295 62.2022 176.4084 31 L 3.9846 7.7559 120.7079 57.8105 41.7818 179.1944 32 L 4.1260 8.1359 119.3164 58.0699 41.4589 179.6653 33 T 4.1610 8.7383 116.3122 66.7419 68.2127 176.9608 34 G 3.6489 8.1479 106.4053 47.3210 0.0000 174.6501 35 Q 4.3209 8.0649 120.0444 56.1282 28.9522 176.8965 36 G 4.0459 8.0483 107.0466 46.4560 0.0000 173.1516 37 L 4.3922 7.8890 119.3508 53.7582 42.4756 177.8713 38 A 4.2365 8.4013 129.5762 50.9472 17.0940 176.1947 39 F 4.9135 7.5443 117.0852 55.9537 40.1924 176.1253 40 R 4.8141 9.2840 118.6730 54.8300 33.1938 175.4559 41 V 4.5971 7.8724 112.3162 59.1828 35.9116 175.3743 42 Q 3.0590 7.7188 118.7969 57.1612 26.6196 176.6239 43 D 4.3827 7.6228 117.0970 53.5897 40.1431 176.0572 44 A 4.2186 8.2880 127.3716 53.1054 18.5524 178.1286 45 S 4.4796 8.2129 110.1140 58.4729 64.2473 174.2990 46 L 4.7249 7.2760 120.9994 51.8770 43.8928 173.8396 47 P 4.4436 0.0000 0.0000 64.0747 31.5799 177.3322 48 G 3.8815 8.8851 110.5006 44.8757 0.0000 173.4811 49 R 4.3127 7.6744 115.7020 54.5915 28.4757 173.0021 50 P 3.0247 0.0000 0.0000 62.6310 32.4703 177.5582 51 D 4.3138 8.3190 123.5469 56.8278 41.9932 176.3820 52 F 5.1707 8.1214 115.5736 55.5241 43.7027 174.4041 53 V 4.4307 9.2208 121.6965 61.3058 34.9919 174.5033 54 V 4.3988 8.9974 128.4649 60.7506 31.5787 175.3187 55 D 4.6884 8.9366 125.9265 57.1217 41.1509 178.7741 56 E 3.7381 8.3700 117.6019 58.8095 29.4709 176.8547 57 Y 4.5556 7.8286 113.5055 56.8298 39.6120 175.6550 58 R 3.5216 8.1928 119.3492 57.0195 29.0270 174.5497 59 C 5.7828 8.6097 112.3416 57.1410 34.2586 174.7988 60 V 4.9588 9.2221 112.7722 59.7697 35.7752 174.7226 61 I 5.0018 8.4658 122.1492 59.7713 41.3621 174.3583 62 F 5.2387 9.0707 125.7554 55.7952 41.7722 174.6930 63 T 4.8252 9.5103 114.1335 60.5595 70.0833 173.4451 64 H 4.7002 8.7503 125.1764 53.6484 30.8281 175.2256 65 G 4.2627 8.9882 113.0285 45.4795 0.0000 174.2806 66 C 4.5276 9.4820 122.6598 62.8819 28.7236 176.1179 67 F 4.4887 8.3735 121.6382 61.0355 39.3499 177.0256 68 W 4.2091 8.0652 119.0741 59.7252 28.9203 176.7723 69 H 4.7159 8.5892 112.1944 54.8076 28.7326 174.5497 70 H 3.4680 7.8174 118.0491 57.2713 27.8430 173.2902 71 H 3.9671 8.7604 120.2455 55.5767 31.2623 175.5842 72 H 4.4040 7.8762 124.4510 54.3750 27.2844 172.9547 73 C 4.8821 7.1688 116.8107 55.8584 33.3410 175.3158 74 Y 4.2781 8.7254 117.0180 59.5701 37.3492 177.4987 75 L 3.7347 7.1704 119.1787 55.9537 42.1385 176.2725 76 F 4.6031 7.9025 121.3978 56.3065 40.3362 175.0132 77 K 4.3051 7.1712 126.1428 54.0897 35.5863 176.0739 78 V 3.4846 8.0886 123.2908 61.6225 31.9218 173.9567 79 P 3.9714 0.0000 0.0000 63.3508 31.4800 175.9707 80 A 4.4328 8.4008 123.7841 52.4649 19.2386 176.9013 81 T 4.5861 7.3489 112.8228 62.7376 71.5178 174.0734 82 R 3.9770 8.7979 125.0764 57.1509 28.1509 178.5856 83 T 4.0832 8.4376 115.3472 67.2179 68.5750 175.1919 84 E 4.0081 8.3565 119.4945 59.4739 29.4727 179.0349 85 F 3.9849 8.2844 119.8494 61.2501 39.5199 177.0501 86 W 4.0785 8.4086 118.4475 59.7040 28.7911 178.5469 87 L 4.0980 8.5923 119.4554 57.7167 40.9993 179.2929 88 E 3.8334 8.1044 119.2127 58.9953 29.6518 178.6577 89 K 3.6654 7.7441 119.6970 59.6457 32.1964 178.8320 90 I 3.8533 8.3538 120.5099 64.2016 36.9806 178.6001 91 G 3.6589 8.3074 106.7827 47.9238 0.0000 175.8971 92 K 4.0230 8.4282 121.3784 59.0304 31.9214 179.2304 93 N 4.2731 8.1420 116.8812 56.2931 38.6144 177.5144 94 V 3.6003 7.9271 119.6354 66.0612 31.7047 177.7050 95 E 3.9386 8.2056 119.0612 59.2003 29.4833 178.7831 96 R 3.8681 8.2896 119.1103 59.3562 30.1363 178.0054 97 D 4.2052 8.3717 119.1502 57.4977 40.8232 179.1751 98 R 3.8689 7.8157 117.8893 59.2769 30.0357 179.0966 99 R 3.8848 7.8514 118.1953 59.4755 30.0295 178.1575 100 D 4.3575 8.5400 118.9921 57.4941 40.8535 178.8644 101 I 3.7592 7.6523 120.1164 64.5261 37.1087 178.6017 102 S 4.1821 8.0668 115.8570 61.6981 62.8018 177.0228 103 R 3.9643 8.2344 120.7131 59.3314 29.8889 178.9523 104 L 4.1719 8.1577 118.7526 58.2256 41.6561 179.7471 105 Q 4.4184 8.2798 119.0732 58.6089 28.4539 178.7264 106 E 4.0896 8.2698 118.4635 58.6909 29.5497 178.3470 107 L 4.5247 7.7441 116.7178 54.5587 42.0815 177.3600 108 G 3.8382 8.1919 107.5453 44.9345 0.0000 172.9493 109 W 5.0336 8.2743 119.7296 54.9742 31.2868 175.7754 110 R 4.6310 8.8855 123.5961 55.8207 31.3188 175.5324 111 V 4.9989 9.0087 123.2536 61.0425 34.5282 173.8445 112 L 4.6039 8.5350 129.0435 53.0429 44.8590 174.7252 113 I 4.4304 8.3896 127.3773 59.4652 39.5642 174.6889 114 V 4.4320 8.4744 127.6635 60.6231 33.4038 174.8166 115 W 4.5936 8.7580 129.0108 56.3802 29.8513 177.3547 116 E 4.0116 9.6308 125.6565 59.6760 29.2860 179.0387 117 C 4.2999 8.4502 113.3611 61.3439 29.2593 175.3811 118 A 4.1590 8.2818 122.7480 54.0615 17.8768 178.9396 119 L 4.2867 7.7980 116.2504 55.2790 42.7648 176.6694 120 R 4.5931 8.0677 113.1239 55.0415 32.8064 173.9241 121 G 3.9898 8.8103 104.6500 44.3979 0.0000 174.7056 122 R 4.1103 7.9136 114.3490 57.9190 29.2478 177.2283 123 E 4.5665 8.0241 116.6582 55.5144 30.6092 175.9622 124 K 4.3835 7.7133 118.8697 56.6299 32.8730 177.0822 125 L 4.4413 8.5121 123.1173 54.7304 42.6473 176.9053 126 T 4.1961 8.3422 111.0409 61.4241 70.1796 175.3173 127 D 4.3434 8.8079 121.8464 57.5748 40.7618 179.0462 128 E 3.9308 8.1083 118.2660 59.4222 29.7552 179.0797 129 A 4.0092 8.0072 120.7975 54.9989 18.3093 179.7828 130 L 3.8858 8.1598 117.5668 58.3105 41.7505 179.5531 131 T 3.8352 8.1317 116.0336 66.7693 68.4360 176.1662 132 E 3.9095 8.3068 120.8643 59.5029 29.7495 179.1460 133 R 4.0103 7.9009 117.7001 58.9756 30.0637 179.1660 134 L 3.9839 8.2173 119.2116 57.8278 41.7101 179.0222 135 E 4.3092 8.2566 120.6303 58.7743 29.6908 178.4788 136 E 3.8843 8.2712 119.2981 58.9042 29.4815 178.6740 137 W 3.9767 8.0587 127.2927 60.4298 30.9254 177.8106 138 I 3.6510 8.1796 118.6549 64.7471 36.7452 178.1763 139 C 3.2304 7.6473 115.4424 62.5656 28.2739 174.3672 140 G 3.8265 7.4283 108.4657 44.7668 0.0000 173.5943 141 E 4.4410 8.3761 120.0437 55.5756 30.5327 176.5229 142 G 3.5879 7.6934 107.9455 45.5373 0.0000 173.5007 143 A 4.3919 8.3511 124.4249 51.1466 19.7516 176.9989 144 S 5.2527 9.1081 113.6477 59.4460 64.1787 174.1973 145 A 5.2739 8.2391 123.0146 51.2730 23.0247 174.4406 146 Q 4.9125 9.3157 115.5944 54.9705 32.7673 174.1933 147 I 4.9739 8.9941 122.1352 59.9408 40.2043 174.4426 148 D 5.5484 8.9109 128.9730 52.0286 41.7126 176.2557 149 T 4.0401 8.6989 107.4287 64.7894 68.9934 174.6992 150 Q 4.4498 8.5212 120.6433 55.6291 29.4010 176.6227 151 G 3.8284 8.0803 104.9534 44.3297 0.0000 172.2108 152 I 4.8306 7.7963 120.5584 59.9140 40.2571 176.0456 153 H 5.0639 8.9191 124.0079 54.0862 33.4656 173.0896 154 L 4.6744 8.6321 122.1088 54.7222 42.3827 176.9214 155 L 4.2835 9.0413 123.0868 54.7794 42.4433 177.2669 156 A 4.1739 8.1405 124.7502 51.8463 18.3433 177.1385 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 2 A 8.26 4.27 1.25 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 0.00 0.00 0.00 3 D 8.54 4.22 0.00 2.71 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 4 V 8.91 4.00 1.96 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 0.69 0.00 0.00 0.70 0.00 0.00 5 H 7.75 5.04 0.00 3.20 3.17 0.00 5.65 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 D 8.27 4.72 0.00 2.87 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 7 K 8.62 3.75 0.00 1.85 1.88 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.55 7.81 8 A 8.07 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 9 T 8.25 3.79 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 1.07 0.00 0.00 10 R 8.42 3.87 0.00 2.08 2.18 0.00 3.21 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 11 S 8.35 4.15 0.00 4.10 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 7.95 3.89 0.00 1.83 1.96 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.44 7.81 13 N 8.16 4.27 0.00 2.74 3.00 0.00 0.00 7.35 7.19 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 14 M 8.42 4.39 0.00 2.23 2.39 0.00 0.00 0.00 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.98 0.00 15 R 8.12 4.04 0.00 2.01 2.01 0.00 3.17 0.00 0.00 3.24 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.87 0.00 16 A 7.80 4.36 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 17 I 7.05 3.74 2.06 0.00 0.00 1.26 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 0.87 0.91 0.00 0.00 18 A 8.43 4.34 1.25 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 0.00 0.00 0.00 19 T 7.99 4.36 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 1.11 0.00 0.00 20 R 7.74 4.55 0.00 1.81 1.81 0.00 3.14 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.57 0.00 21 D 8.90 4.36 0.00 2.83 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 22 T 7.63 4.33 4.30 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 0.00 0.00 1.23 0.00 0.00 23 A 8.55 4.03 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 24 I 7.81 3.79 1.93 0.00 0.00 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 1.73 0.68 1.00 0.00 0.00 25 E 7.93 4.27 0.00 2.29 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 2.45 2.42 0.00 26 K 8.46 4.06 0.00 1.99 1.91 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.52 1.59 7.81 27 R 8.05 3.92 0.00 1.93 1.94 0.00 3.11 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 28 L 7.91 3.69 0.00 1.71 1.29 0.61 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.24 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.19 4.16 0.00 3.97 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 31 L 7.76 3.98 0.00 1.71 1.65 0.86 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.14 4.13 0.00 1.54 1.72 -0.08 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.74 4.16 4.49 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 0.00 0.00 0.00 1.27 0.00 0.00 34 G 8.15 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 35 Q 8.06 4.32 0.00 2.19 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.65 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 36 G 8.05 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 0.00 0.00 0.00 37 L 7.89 4.39 0.00 1.90 1.85 1.10 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.40 4.24 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 39 F 7.54 4.91 0.00 3.29 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 40 R 9.28 4.81 0.00 1.79 1.87 0.00 3.08 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 41 V 7.87 4.60 1.88 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 0.80 0.00 0.00 0.89 0.00 0.00 42 Q 7.72 3.06 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.18 0.00 0.00 0.00 0.00 0.00 2.17 2.33 0.00 43 D 7.62 4.38 0.00 2.48 2.39 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 44 A 8.29 4.22 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.21 4.48 0.00 4.01 3.99 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 46 L 7.28 4.72 0.00 1.51 1.40 0.15 1.13 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 47 P 0.00 4.44 0.00 2.09 2.03 0.00 3.73 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 2.09 2.12 0.00 48 G 8.89 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 0.00 0.00 0.00 49 R 7.67 4.31 0.00 1.89 1.90 0.00 3.22 0.00 0.00 3.09 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.46 0.00 50 P 0.00 3.02 0.00 1.69 1.30 0.00 3.68 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.81 0.00 51 D 8.32 4.31 0.00 2.79 2.33 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 52 F 8.12 5.17 0.00 2.89 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 53 V 9.22 4.43 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 0.80 0.00 0.00 0.67 0.00 0.00 54 V 9.00 4.40 2.34 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 1.20 0.00 0.00 1.11 0.00 0.00 55 D 8.94 4.69 0.00 2.84 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.37 3.74 0.00 1.85 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 1.53 1.95 0.00 57 Y 7.83 4.56 0.00 3.03 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.19 3.52 0.00 1.60 1.74 0.00 2.65 0.00 0.00 2.92 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.14 0.00 59 C 8.61 5.78 0.00 3.60 3.04 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 0.00 0.00 0.00 0.00 60 V 9.22 4.96 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.80 0.00 0.00 61 I 8.47 5.00 1.75 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.71 0.73 0.00 0.00 62 F 9.07 5.24 0.00 2.71 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 T 9.51 4.83 4.30 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 0.00 0.00 1.29 0.00 0.00 64 H 8.75 4.70 0.00 2.10 2.75 0.00 5.81 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 65 G 8.99 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.48 4.53 0.00 3.13 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 F 8.37 4.49 0.00 2.77 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.07 4.21 0.00 3.32 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 69 H 8.59 4.72 0.00 3.51 3.43 0.00 5.80 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 H 7.82 3.47 0.00 2.95 3.07 0.00 5.76 0.00 0.00 0.00 0.00 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 H 8.76 3.97 0.00 2.78 2.98 0.00 5.81 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 H 7.88 4.40 0.00 2.92 3.12 0.00 5.71 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 C 7.17 4.88 0.00 2.99 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 74 Y 8.73 4.28 0.00 3.09 3.13 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 75 L 7.17 3.73 0.00 1.44 1.61 0.83 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 76 F 7.90 4.60 0.00 3.03 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 77 K 7.17 4.31 0.00 1.39 1.38 0.00 1.73 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.19 1.21 7.81 78 V 8.09 3.48 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 0.83 0.00 0.00 1.09 0.00 0.00 79 P 0.00 3.97 0.00 2.05 1.58 0.00 3.72 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 80 A 8.40 4.43 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.35 4.59 4.29 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 0.00 0.00 0.00 1.28 0.00 0.00 82 R 8.80 3.98 0.00 2.33 2.13 0.00 3.09 0.00 0.00 3.37 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 83 T 8.44 4.08 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 1.32 0.00 0.00 84 E 8.36 4.01 0.00 2.13 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 2.44 2.48 0.00 85 F 8.28 3.98 0.00 3.04 3.12 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 0.00 0.00 0.00 86 W 8.41 4.08 0.00 3.58 3.27 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 87 L 8.59 4.10 0.00 1.70 1.76 0.98 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.10 3.83 0.00 2.00 1.90 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 2.13 2.22 0.00 89 K 7.74 3.67 0.00 1.16 1.31 0.00 1.45 0.00 0.00 1.28 0.00 0.00 3.12 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.27 1.46 7.81 90 I 8.35 3.85 2.01 0.00 0.00 0.79 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 0.48 0.89 0.00 0.00 91 G 8.31 3.66 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 0.00 92 K 8.43 4.02 0.00 1.92 1.82 0.00 1.58 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.54 7.81 93 N 8.14 4.27 0.00 2.95 2.84 0.00 0.00 6.61 6.97 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 94 V 7.93 3.60 2.24 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 1.01 0.00 0.00 1.05 0.00 0.00 95 E 8.21 3.94 0.00 2.08 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 0.00 2.29 2.30 0.00 96 R 8.29 3.87 0.00 1.87 2.10 0.00 3.13 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 97 D 8.37 4.21 0.00 2.86 2.61 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 0.00 0.00 0.00 0.00 98 R 7.82 3.87 0.00 2.07 1.98 0.00 3.14 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 1.66 1.78 0.00 99 R 7.85 3.88 0.00 1.91 2.04 0.00 3.10 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 0.00 100 D 8.54 4.36 0.00 2.67 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 0.00 101 I 7.65 3.76 2.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.81 0.96 0.00 0.00 102 S 8.07 4.18 0.00 4.05 4.07 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 0.00 0.00 0.00 103 R 8.23 3.96 0.00 2.04 2.03 0.00 3.16 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 104 L 8.16 4.17 0.00 2.00 1.92 1.24 0.61 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 0.00 105 Q 8.28 4.42 0.00 2.35 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.50 2.46 0.00 106 E 8.27 4.09 0.00 2.22 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 2.38 2.45 0.00 107 L 7.74 4.52 0.00 2.18 1.96 1.07 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 108 G 8.19 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.27 5.03 0.00 3.53 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 0.00 110 R 8.89 4.63 0.00 1.90 2.01 0.00 3.06 0.00 0.00 2.96 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.58 0.00 111 V 9.01 5.00 2.23 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 1.13 0.00 0.00 1.13 0.00 0.00 112 L 8.53 4.60 0.00 0.27 0.61 0.07 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 113 I 8.39 4.43 1.58 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.50 -0.21 0.00 0.00 114 V 8.47 4.43 1.93 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 1.00 0.00 0.00 0.71 0.00 0.00 115 W 8.76 4.59 0.00 3.40 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 0.00 116 E 9.63 4.01 0.00 2.19 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 117 C 8.45 4.30 0.00 3.36 3.20 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 0.00 118 A 8.28 4.16 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.80 4.29 0.00 1.79 1.76 0.92 0.79 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 0.00 120 R 8.07 4.59 0.00 1.87 1.89 0.00 3.28 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.86 0.00 121 G 8.81 3.99 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 0.00 0.00 0.00 122 R 7.91 4.11 0.00 1.97 2.06 0.00 2.79 0.00 0.00 3.09 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.48 0.00 123 E 8.02 4.57 0.00 2.14 2.08 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 1.89 2.15 0.00 124 K 7.71 4.38 0.00 1.83 1.83 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.80 1.28 7.81 125 L 8.51 4.44 0.00 1.56 1.65 0.98 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 126 T 8.34 4.20 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 1.22 0.00 0.00 127 D 8.81 4.34 0.00 2.79 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.11 3.93 0.00 2.06 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 2.40 2.44 0.00 129 A 8.01 4.01 1.36 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 0.00 0.00 0.00 130 L 8.16 3.89 0.00 1.88 1.69 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 131 T 8.13 3.84 4.41 0.00 0.00 0.00 0.00 0.00 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 0.00 132 E 8.31 3.91 0.00 2.04 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 2.31 2.36 0.00 133 R 7.90 4.01 0.00 2.01 1.96 0.00 3.40 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 134 L 8.22 3.98 0.00 1.87 1.69 0.81 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.26 4.31 0.00 2.08 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 2.28 2.32 0.00 136 E 8.27 3.88 0.00 2.14 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 2.33 2.40 0.00 137 W 8.06 3.98 0.00 3.37 3.21 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 0.00 138 I 8.18 3.65 1.87 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.14 0.80 0.00 0.00 139 C 7.65 3.23 0.00 2.92 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.43 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 E 8.38 4.44 0.00 1.85 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 142 G 7.69 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 A 8.35 4.39 1.32 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 0.00 0.00 0.00 144 S 9.11 5.25 0.00 3.92 4.04 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 0.00 0.00 0.00 0.00 145 A 8.24 5.27 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 0.00 146 Q 9.32 4.91 0.00 2.29 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.69 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 147 I 8.99 4.97 1.82 0.00 0.00 0.74 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 0.70 0.94 0.00 0.00 148 D 8.91 5.55 0.00 2.92 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 0.00 149 T 8.70 4.04 4.30 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 0.00 0.00 1.41 0.00 0.00 150 Q 8.52 4.45 0.00 2.35 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.34 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 151 G 8.08 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 I 7.80 4.83 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.04 0.91 0.00 0.00 153 H 8.92 5.06 0.00 3.10 3.14 0.00 5.67 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 L 8.63 4.67 0.00 1.60 1.68 0.98 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 155 L 9.04 4.28 0.00 1.58 1.65 0.96 1.07 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 0.00 156 A 8.14 4.17 1.24 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 0.00 0.00