NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 D 4.6144 8.2227 119.5458 53.2593 42.3291 177.3958 8 L 3.9858 7.8781 120.5902 57.3870 42.4103 176.4712 9 Q 3.9819 8.3768 117.7154 59.6940 29.5787 179.3673 10 K 3.9861 7.1251 115.1221 55.3470 30.9741 178.9787 *12 V 3.8340 7.7892 118.0466 63.6402 32.4698 177.3112 *14 G 3.8593 8.1394 108.0117 44.7144 0.0000 174.1284 15 N 4.6434 8.2536 116.2980 53.8163 39.3365 174.3716 16 T 4.9705 7.6666 115.7081 62.5160 69.5861 174.3656 17 K 4.8605 9.1808 125.8710 53.5968 36.4115 173.8503 18 P 5.0804 0.0000 0.0000 62.2772 32.9013 175.1149 19 V 4.7259 9.0135 122.7278 61.1330 35.0392 173.9582 20 E 4.9359 8.5380 125.1689 54.5793 33.5745 174.1725 21 L 4.5104 8.7850 125.0019 52.9485 43.7993 175.2781 22 N 5.6047 9.3325 121.4640 51.5352 42.0789 173.7223 23 L 5.1099 8.7323 120.8185 53.8082 46.6877 176.0466 24 D 4.4433 9.9375 119.6005 55.2807 38.6027 174.1425 25 G 3.9117 8.5816 105.5481 46.9160 0.0000 174.9354 26 K 4.5506 8.8115 121.2409 52.2466 35.3382 178.7481 27 T 5.1642 8.4447 119.7658 62.8193 68.0635 174.7087 28 V 4.1761 8.2578 120.2659 62.1087 32.5686 176.2240 29 A 4.5577 7.2452 119.9443 51.2036 22.1664 175.0525 30 I 5.0642 7.6460 112.2262 59.9141 41.9784 174.2340 31 C 5.6152 8.3831 115.7914 59.3462 33.4402 172.0640 32 C 5.4005 8.9233 115.4433 58.3002 31.6958 173.1151 33 A 5.0413 8.9307 122.2200 50.5761 21.8983 175.2518 34 T 4.7531 8.8504 120.0373 61.4666 70.3659 174.4232 35 G 3.3171 8.9111 115.6705 46.2452 0.0000 172.9196 36 V 4.4752 7.7949 117.0012 61.3285 34.3016 175.7361 37 F 4.8011 7.5381 111.7819 57.1097 40.8475 176.3096 38 G 4.0289 8.0675 112.4031 47.4132 0.0000 174.4490 39 T 4.8495 8.5961 111.9317 60.9599 69.8366 171.5336 40 A 4.8771 7.9236 124.2323 51.5191 21.3223 176.5935 41 Y 5.0471 8.2506 118.2734 55.9964 42.6169 174.5249 42 L 4.8248 8.9912 124.0101 54.6185 43.2108 176.5182 43 V 4.7892 9.0109 116.0970 58.5915 36.8912 173.2452 44 P 4.8596 0.0000 0.0000 62.4036 31.6779 177.7875 45 R 4.0861 9.3383 125.2457 59.6884 29.7883 178.1461 46 H 4.3157 8.5951 114.2280 58.5014 28.2895 177.1800 47 L 4.3386 7.6756 120.9837 57.2096 41.7628 178.1280 48 F 4.4221 8.2859 114.1054 58.1850 39.1346 176.8834 49 A 4.3064 8.0812 120.8878 53.0612 18.6391 177.4032 50 E 4.2806 7.3764 116.5056 55.0547 31.2364 175.2788 51 K 4.4339 7.6765 118.5335 54.9586 34.2016 175.8171 52 Y 4.8421 7.8553 118.2869 56.1757 41.7208 175.6757 53 D 4.5118 8.7691 122.7309 57.0632 41.4581 176.9167 54 K 4.5200 7.5185 117.0750 55.5334 35.0815 174.1534 55 I 4.8938 7.8139 116.7232 58.1976 40.0265 173.8540 *57 L 3.9136 8.2932 121.8315 56.0521 42.0576 177.0495 58 D 4.3419 9.8593 128.4830 55.3116 40.0122 174.6172 59 G 3.8916 8.3936 104.7597 45.0918 0.0000 173.6567 60 R 4.2116 7.7733 120.6954 54.8112 30.5840 176.0235 61 A 4.1315 8.3030 128.4670 51.9830 19.4307 176.0697 *63 T 4.2026 8.0166 109.4187 61.1541 69.7499 174.5620 64 D 3.5299 8.4561 120.2412 54.7144 39.2399 176.8957 65 S 4.3874 7.4215 113.7713 58.8259 63.5164 174.2484 66 D 4.8202 7.7941 120.9936 54.5331 41.2006 174.7202 67 Y 4.9828 6.5226 115.9902 56.4856 40.6653 173.5186 68 R 4.7610 9.0944 117.9038 54.3449 33.9784 175.3759 69 V 4.6482 8.1736 121.1622 61.1702 34.1587 174.5558 70 F 4.8584 9.2408 125.9603 55.7121 42.0502 174.2643 71 E 5.0437 8.6751 120.3786 54.6388 32.6426 175.1575 72 F 4.9826 8.8053 120.2903 55.7108 42.0019 174.2582 73 E 4.9610 9.1335 125.6822 54.8469 32.1759 175.3287 74 I 4.5805 8.3605 125.5228 58.1606 38.5779 173.4616 75 K 5.0779 8.5187 126.3566 53.5001 32.4827 174.0989 76 V 4.4169 8.4446 123.9942 60.4246 34.7475 173.6891 77 K 3.9184 8.5935 124.4390 55.7985 31.0994 176.2399 78 G 4.2762 9.1815 120.3041 45.2515 0.0000 173.2401 79 Q 4.7091 7.1513 115.0352 52.3660 31.6774 177.9893 80 D 4.6769 8.3147 127.5060 52.9902 41.5643 175.5293 *82 L 4.4075 8.3134 126.1780 55.5620 42.5082 177.2894 83 S 4.2993 8.6851 121.4799 58.8602 63.0406 173.1437 84 D 4.8857 8.9158 124.6829 54.5912 42.2185 174.5934 85 A 5.2470 8.2618 119.6830 50.8440 20.4000 176.5280 86 A 5.0978 9.2907 124.3994 50.6134 23.0276 174.6259 87 L 5.4499 8.2897 120.7409 52.3404 46.1280 174.7808 *89 V 4.3364 8.0629 117.9786 62.8499 32.5388 174.8535 90 L 4.7857 8.7607 128.4020 54.7676 41.9916 177.3567 91 H 4.4931 9.1130 122.5167 58.8283 28.9839 176.7625 92 R 4.7612 8.6445 114.7245 53.9667 33.2916 175.9303 93 G 4.4862 8.4644 103.6179 43.5733 0.0000 172.7576 94 N 4.4339 8.3709 122.7415 53.4780 39.4593 175.5342 95 K 4.4638 8.5528 129.4157 55.6022 32.5170 174.1589 96 V 4.1452 8.6767 121.2104 60.0159 33.3188 176.6967 97 R 4.1382 8.1938 122.8831 56.6787 29.9439 175.1607 98 D 4.7126 8.8558 123.8718 53.7701 41.2035 175.3810 99 I 4.6738 8.7439 120.6025 60.7721 38.2244 177.7448 100 T 4.0134 8.5644 117.0964 65.8449 68.4768 176.8208 101 K 4.2223 8.0867 121.6275 56.6518 32.1016 180.4226 102 H 4.7097 8.4903 113.9046 56.7002 28.9657 175.0566 103 F 5.0749 8.0617 118.7081 56.2861 40.6335 174.6142 104 R 4.7479 8.3360 119.5972 54.8804 33.9179 175.7736 105 D 4.7209 8.4244 116.9103 54.9357 43.0627 176.5331 106 T 4.8018 7.5192 108.0433 60.0590 71.1021 173.3148 107 A 4.6397 8.4039 128.8145 51.5397 22.9626 175.4618 108 R 5.4558 8.4608 120.9973 54.9010 33.9878 176.3664 *110 K 4.2592 8.4213 115.2258 55.5448 33.1418 171.0691 111 K 3.8809 6.3650 120.8863 58.0488 32.4041 177.5415 112 G 3.9788 9.0343 115.0084 45.2755 0.0000 173.8323 113 T 4.2100 7.4626 110.1553 60.5968 70.2560 172.4781 114 P 4.7534 0.0000 0.0000 63.4798 32.1683 175.8616 115 V 4.5873 8.7725 122.8256 61.0759 35.3270 174.1593 116 V 4.4916 8.6747 126.9738 60.9222 34.5610 174.1176 117 G 2.6907 8.0234 115.6570 43.8565 0.0000 172.3687 118 V 4.4125 8.4326 124.6470 60.9389 33.4747 174.5245 119 V 4.3286 8.6271 128.3206 61.3415 34.9907 174.4433 120 N 5.5319 8.6899 125.1246 52.8960 40.8794 172.2298 121 N 5.5572 8.3307 122.2474 50.6382 41.3628 175.0052 122 A 4.1310 8.7228 120.4668 54.4577 18.9037 178.5654 123 D 4.4890 8.4532 114.9345 56.7694 41.4702 177.3038 124 V 4.3365 8.5535 108.2987 60.0633 33.7557 177.9872 125 G 3.7028 8.0751 109.0469 45.9202 0.0000 173.5090 126 R 4.6950 8.4801 123.0444 55.5919 30.6868 175.9530 127 L 4.6865 9.0817 125.8367 53.6255 46.2656 174.3066 128 I 4.9321 8.2641 123.6685 59.2664 39.8502 174.8403 129 F 5.1790 8.5328 121.7268 54.9727 40.4923 174.4353 130 S 5.1145 8.7456 115.6326 56.9735 65.6822 173.9914 131 G 4.5748 9.2835 109.6518 46.5585 0.0000 171.4670 132 E 5.4318 8.8126 118.9362 54.2995 33.7116 175.0666 133 A 4.3365 9.2600 124.0113 52.8073 18.7861 178.4949 134 L 4.2011 8.6394 125.9567 57.7669 42.8203 176.5484 135 T 4.7834 7.5836 106.3665 59.8018 72.2796 173.3504 136 Y 4.2844 8.6347 119.3051 58.2150 38.8904 175.7547 137 K 4.7768 8.6974 122.3966 54.9855 36.3213 174.4144 138 D 5.1498 8.7073 125.7717 52.1279 43.0123 175.5704 139 I 3.7327 8.1646 121.2729 61.8937 38.0964 175.8980 140 V 2.9959 7.3455 120.3994 66.6908 29.2104 170.5323 141 V 3.5761 7.2388 115.1621 65.0458 32.4365 174.1712 *147 T 4.0212 7.3883 118.3768 63.0591 68.5134 170.6433 *149 P 4.0407 0.0000 0.0000 63.1359 33.0633 177.8412 150 G 4.1317 8.9591 109.9554 45.9113 0.0000 172.2563 151 L 5.5400 7.5892 117.0489 52.8422 45.6786 176.1175 152 F 5.1160 9.1252 122.9438 56.9402 42.6227 173.4211 153 A 4.6807 8.4455 127.9042 51.0590 21.3895 174.9147 154 Y 5.1164 7.5847 116.4144 55.8752 42.1046 173.7076 155 K 4.8806 9.0219 120.5289 55.5772 33.8005 176.0224 156 A 4.6699 8.8206 124.5390 51.7859 23.5146 175.6875 157 A 4.3748 8.7934 123.7013 51.1709 18.6816 177.0629 158 T 4.2892 7.9278 111.0877 60.3187 72.1362 173.3941 159 R 4.2698 5.8400 119.2534 53.4771 33.8616 174.8494 160 A 4.1925 8.1170 122.9189 52.8669 18.9100 177.2582 161 G 4.1474 8.9545 110.9023 45.9133 0.0000 174.8924 162 Y 4.5467 8.2931 116.9401 58.9849 38.5142 175.5356 163 A 4.5835 8.0081 124.0096 53.9109 18.9414 177.8287 164 G 4.3294 8.4990 109.9818 46.4004 0.0000 174.5755 165 G 3.9732 8.3363 106.8926 45.2901 0.0000 173.3499 166 A 4.7372 8.5895 125.1886 51.6802 20.0714 176.3214 167 V 4.4769 8.7150 121.8303 61.0446 33.9489 174.3080 168 L 4.8342 8.9178 128.0223 53.0337 44.3532 175.5153 169 A 4.9014 7.8091 123.3934 50.2136 23.4628 174.2731 170 K 4.7134 8.5325 117.4162 54.7674 33.4353 177.8959 171 D 4.9461 9.5619 129.8879 52.0381 40.5852 175.8740 172 G 3.9939 7.8764 113.0085 45.2362 0.0000 172.3071 173 A 4.4010 8.6596 130.4159 52.6735 19.0619 176.8832 174 D 4.9559 7.8066 118.8388 53.2138 41.9456 179.9035 175 T 5.1894 8.5421 120.1460 61.0823 70.6014 173.7453 176 F 5.0250 8.5616 120.2387 55.2255 42.4487 173.3966 177 I 4.0977 8.4481 120.8688 60.4158 36.9586 176.5829 178 V 3.7444 8.6824 128.9088 64.1017 32.2646 175.7070 179 G 4.9909 7.2220 108.1886 46.2419 0.0000 170.6396 180 T 5.1516 7.7844 111.5025 59.6333 72.1330 173.5927 181 H 4.4881 9.4262 124.8662 57.8127 30.5516 174.5849 182 S 4.4656 8.1926 119.6730 59.5285 64.8130 173.8290 183 A 4.2734 5.8000 118.2261 50.8357 22.4954 174.8761 184 G 4.1653 8.1011 108.7049 45.9342 0.0000 172.4385 185 G 3.8477 8.5953 106.7859 45.6904 0.0000 172.9498 186 N 4.2087 10.0396 114.9329 54.0550 36.3684 175.7245 187 G 4.0168 8.7616 105.6803 44.0832 0.0000 173.3905 188 V 4.8962 7.3920 111.7408 60.0292 36.6031 174.5772 189 G 4.2336 8.4169 108.1802 46.5815 0.0000 171.5093 190 Y 4.6751 8.0571 116.6903 55.6066 41.8672 173.5760 191 C 5.3945 9.2190 114.8538 56.6526 34.0182 172.7755 192 S 5.2495 9.0053 116.1675 57.2219 63.8454 173.9479 193 C 4.8919 9.2189 124.3997 59.9470 28.6910 173.7480 194 V 4.3107 8.9040 123.8251 60.8466 33.0759 175.5659 195 S 4.6630 8.6179 122.6915 57.7508 64.2057 174.3800 196 R 4.0278 8.7868 122.7170 59.6180 30.0524 180.1192 197 S 4.2750 8.4696 113.5778 58.0886 62.2397 176.3432 *199 L 4.2578 8.2472 124.1820 56.7472 43.4196 179.3445 200 Q 3.9542 7.9506 116.7921 57.8344 28.3459 180.0594 201 K 4.1099 8.3722 115.9112 57.4111 31.7676 178.0001 *203 K 4.1087 8.1173 118.9899 56.1389 33.6306 176.6310 204 A 4.0119 8.0864 120.5792 55.3671 18.4412 176.7539 205 H 4.2218 8.0438 118.5842 56.6623 29.7838 174.6582 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 7 D 8.22 4.61 0.00 2.62 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 8 L 7.88 3.99 0.00 1.58 1.63 0.72 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 8.38 3.98 0.00 2.25 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 7.43 0.00 0.00 0.00 0.00 0.00 2.36 1.93 0.00 10 K 7.13 3.99 0.00 1.96 1.69 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.25 7.81 *12 V 7.79 3.83 2.09 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 0.91 0.00 0.00 0.88 0.00 0.00 *14 G 8.14 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 15 N 8.25 4.64 0.00 2.95 2.95 0.00 0.00 6.80 6.78 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 16 T 7.67 4.97 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 1.27 0.00 0.00 17 K 9.18 4.86 0.00 1.69 1.63 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.34 1.21 7.81 18 P 0.00 5.08 0.00 2.29 2.23 0.00 3.79 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.79 0.00 19 V 9.01 4.73 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 1.08 0.00 0.00 0.92 0.00 0.00 20 E 8.54 4.94 0.00 1.89 1.72 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 2.25 2.33 0.00 21 L 8.78 4.51 0.00 0.91 0.13 0.17 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 22 N 9.33 5.60 0.00 2.64 2.68 0.00 0.00 6.31 6.88 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 23 L 8.73 5.11 0.00 1.58 1.51 0.92 1.11 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 24 D 9.94 4.44 0.00 2.76 2.70 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 25 G 8.58 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 0.00 0.00 0.00 26 K 8.81 4.55 0.00 1.54 1.61 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.26 1.25 7.81 27 T 8.44 5.16 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 1.21 0.00 0.00 28 V 8.26 4.18 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 0.74 0.00 0.00 1.14 0.00 0.00 29 A 7.25 4.56 1.15 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 0.00 0.00 30 I 7.65 5.06 1.96 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 1.41 0.94 0.89 0.00 0.00 31 C 8.38 5.62 0.00 3.29 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 32 C 8.92 5.40 0.00 2.86 2.86 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 0.00 0.00 0.00 33 A 8.93 5.04 1.08 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 34 T 8.85 4.75 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 1.26 0.00 0.00 35 G 8.91 3.32 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 0.00 36 V 7.79 4.48 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 0.90 0.00 0.00 0.60 0.00 0.00 37 F 7.54 4.80 0.00 3.14 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 38 G 8.07 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 0.00 0.00 0.00 39 T 8.60 4.85 4.38 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 1.30 0.00 0.00 40 A 7.92 4.88 0.34 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 41 Y 8.25 5.05 0.00 2.71 2.71 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 42 L 8.99 4.82 0.00 1.64 1.65 1.06 0.75 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 43 V 9.01 4.79 1.56 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 0.31 0.00 0.00 0.23 0.00 0.00 44 P 0.00 4.86 0.00 2.16 2.02 0.00 3.77 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.17 0.00 45 R 9.34 4.09 0.00 1.96 2.20 0.00 3.28 0.00 0.00 3.38 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.81 0.00 46 H 8.60 4.32 0.00 3.43 3.60 0.00 5.60 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 47 L 7.68 4.34 0.00 1.94 1.68 0.94 1.21 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 48 F 8.29 4.42 0.00 3.18 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 49 A 8.08 4.31 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 50 E 7.38 4.28 0.00 1.55 1.52 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 2.73 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.38 1.06 7.81 78 G 9.18 4.28 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 0.00 79 Q 7.15 4.71 0.00 2.11 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.80 0.00 0.00 0.00 0.00 0.00 2.19 2.15 0.00 80 D 8.31 4.68 0.00 2.88 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 *82 L 8.31 4.41 0.00 1.67 1.71 1.08 0.94 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 83 S 8.69 4.30 0.00 3.99 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 84 D 8.92 4.89 0.00 3.01 2.76 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 0.00 0.00 0.00 0.00 85 A 8.26 5.25 1.29 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 0.00 0.00 0.00 86 A 9.29 5.10 1.29 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 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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 0.54 0.00 0.00 0.71 0.00 0.00 97 R 8.19 4.14 0.00 1.54 1.72 0.00 3.27 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.45 0.00 98 D 8.86 4.71 0.00 2.69 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 99 I 8.74 4.67 2.01 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 1.58 1.09 0.95 0.00 0.00 100 T 8.56 4.01 4.22 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 1.32 0.00 0.00 101 K 8.09 4.22 0.00 1.80 1.76 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.03 7.81 102 H 8.49 4.71 0.00 3.29 3.27 0.00 5.57 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 0.00 103 F 8.06 5.07 0.00 3.19 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 0.00 104 R 8.34 4.75 0.00 1.28 1.44 0.00 2.98 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 114 P 0.00 4.75 0.00 1.93 2.03 0.00 3.63 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 115 V 8.77 4.59 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 0.62 0.00 0.00 1.19 0.00 0.00 116 V 8.67 4.49 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 0.63 0.00 0.00 0.79 0.00 0.00 117 G 8.02 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 0.00 0.00 0.00 118 V 8.43 4.41 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 0.81 0.00 0.00 0.72 0.00 0.00 119 V 8.63 4.33 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.39 0.00 0.00 120 N 8.69 5.53 0.00 2.73 2.62 0.00 0.00 7.17 6.71 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 0.00 121 N 8.33 5.56 0.00 2.86 2.92 0.00 0.00 6.04 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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3.81 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 G 9.28 4.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 E 8.81 5.43 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 2.28 2.33 0.00 133 A 9.26 4.34 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 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.64 4.20 0.00 1.56 1.70 0.89 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 135 T 7.58 4.78 4.34 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 1.23 0.00 0.00 136 Y 8.63 4.28 0.00 2.94 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 0.00 137 K 8.70 4.78 0.00 2.16 1.70 0.00 1.67 0.00 0.00 1.97 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.48 7.81 138 D 8.71 5.15 0.00 2.66 2.54 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 0.00 0.00 0.00 0.00 139 I 8.16 3.73 1.91 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 1.37 0.77 0.96 0.00 0.00 140 V 7.35 3.00 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 0.71 0.00 0.00 1.06 0.00 0.00 141 V 7.24 3.58 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 1.18 0.00 0.00 0.92 0.00 0.00 *147 T 7.39 4.02 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 1.22 0.00 0.00 *149 P 0.00 4.04 0.00 2.23 2.05 0.00 3.74 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 2.02 2.11 0.00 150 G 8.96 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 0.00 151 L 7.59 5.54 0.00 1.55 1.57 0.71 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 152 F 9.13 5.12 0.00 3.18 3.07 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 0.00 153 A 8.45 4.68 1.05 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 0.00 154 Y 7.58 5.12 0.00 3.03 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 0.00 155 K 9.02 4.88 0.00 1.75 1.78 0.00 1.72 0.00 0.00 1.79 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.39 7.81 156 A 8.82 4.67 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 0.00 157 A 8.79 4.37 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 0.00 158 T 7.93 4.29 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 159 R 5.84 4.27 0.00 0.93 1.48 0.00 3.12 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.18 0.00 160 A 8.12 4.19 1.20 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 0.00 0.00 161 G 8.95 4.15 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 0.00 0.00 0.00 162 Y 8.29 4.55 0.00 3.04 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 0.00 163 A 8.01 4.58 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 0.00 164 G 8.50 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 0.00 0.00 0.00 0.00 165 G 8.34 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 0.00 0.00 0.00 166 A 8.59 4.74 1.16 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 0.00 0.00 167 V 8.72 4.48 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 0.91 0.00 0.00 0.97 0.00 0.00 168 L 8.92 4.83 0.00 1.34 1.27 0.74 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 169 A 7.81 4.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 K 8.53 4.71 0.00 1.66 2.01 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.74 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.34 7.81 171 D 9.56 4.95 0.00 2.52 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 0.00 172 G 7.88 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 0.00 173 A 8.66 4.40 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 0.00 174 D 7.81 4.96 0.00 2.38 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 T 8.54 5.19 4.22 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 1.13 0.00 0.00 176 F 8.56 5.03 0.00 3.26 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 0.00 177 I 8.45 4.10 0.56 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 0.75 0.32 0.44 0.00 0.00 178 V 8.68 3.74 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 0.99 0.00 0.00 0.34 0.00 0.00 179 G 7.22 4.99 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 0.00 180 T 7.78 5.15 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 1.38 0.00 0.00 181 H 9.43 4.49 0.00 3.51 3.58 0.00 5.73 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 S 8.19 4.47 0.00 2.88 3.64 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 0.00 183 A 5.80 4.27 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 0.00 0.00 0.00 0.00 0.00 184 G 8.10 4.17 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 0.00 0.00 0.00 185 G 8.60 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 N 10.04 4.21 0.00 2.79 2.83 0.00 0.00 7.18 7.65 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 0.00 187 G 8.76 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 0.00 188 V 7.39 4.90 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 0.70 0.00 0.00 0.93 0.00 0.00 189 G 8.42 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 0.00 0.00 0.00 0.00 190 Y 8.06 4.68 0.00 3.02 2.76 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 0.00 0.00 0.00 0.00 191 C 9.22 5.39 0.00 3.26 3.43 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 0.00 192 S 9.01 5.25 0.00 3.88 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 0.00 193 C 9.22 4.89 0.00 2.90 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 0.00 194 V 8.90 4.31 2.25 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 0.43 0.00 0.00 0.92 0.00 0.00 195 S 8.62 4.66 0.00 4.23 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 R 8.79 4.03 0.00 2.07 2.11 0.00 3.21 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.44 0.00 197 S 8.47 4.27 0.00 4.02 4.31 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 *199 L 8.25 4.26 0.00 1.66 1.71 -0.46 0.85 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 0.00 200 Q 7.95 3.95 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 7.02 0.00 0.00 0.00 0.00 0.00 2.29 2.17 0.00 201 K 8.37 4.11 0.00 2.01 1.85 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.43 1.25 7.81 *203 K 8.12 4.11 0.00 1.28 1.68 0.00 1.42 0.00 0.00 1.26 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.92 0.34 7.81 204 A 8.09 4.01 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 0.00 205 H 8.04 4.22 0.00 3.02 3.05 0.00 5.98 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.