NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.4997 8.3649 120.1793 53.8359 43.3336 174.9016 3 K 4.1104 7.6240 118.4149 55.4115 33.2179 175.1523 4 K 4.2726 9.0174 125.8305 55.7515 34.8688 175.2975 5 T 5.2856 9.0684 117.6264 61.9908 71.8093 173.1972 6 I 4.8762 8.9884 126.5521 59.2495 41.1424 173.5061 7 Y 5.3074 8.4766 129.4487 56.0312 41.7129 173.8854 8 F 5.0627 9.2028 126.9118 56.4915 40.7926 175.0742 9 I 5.3581 9.1726 125.0392 58.6311 40.4193 174.9742 10 S 5.0955 8.2591 119.4539 56.7880 66.8129 174.7068 11 T 3.8004 8.7576 115.3575 65.9959 69.1227 176.4287 12 G 4.2640 7.7157 104.8345 43.6548 0.0000 172.4088 13 N 4.7434 7.5151 116.4590 53.4405 38.1584 174.6374 14 S 5.0315 8.2936 112.1125 59.0595 63.5106 173.7101 15 A 4.6069 7.2735 120.7417 52.6648 21.7109 177.7672 16 R 3.8453 8.1178 112.8368 59.3429 30.4714 179.5293 17 S 4.1455 7.9969 113.1140 61.2148 63.1686 176.3990 18 Q 4.0659 7.9670 121.5043 59.1206 28.5302 178.1664 19 M 3.9724 8.3728 119.8679 58.1145 31.8746 178.6900 20 A 3.6534 7.8762 121.0802 54.8762 18.3598 179.3307 21 E 4.0965 8.0984 118.0466 59.2048 29.6921 179.2856 22 G 3.4899 8.0651 105.8018 47.7089 0.0000 175.7992 23 W 4.5560 8.3492 122.4248 59.2309 28.9645 178.8762 24 G 3.8093 8.6371 106.1841 47.9624 0.0000 175.9211 25 K 4.0584 8.3687 120.9652 58.9597 31.7850 179.0197 26 E 4.1469 7.7486 117.4367 58.8762 29.7738 178.3329 27 I 4.1041 8.0967 119.0759 63.6172 37.9288 176.8888 28 L 4.7000 8.1574 117.5424 54.4546 42.1029 178.5988 29 G 4.1573 7.7554 108.9193 48.9840 0.0000 174.9038 30 E 3.8645 8.0731 118.2045 58.8676 29.9125 177.9424 31 G 4.1332 8.0736 102.1886 45.7514 0.0000 171.6076 32 W 5.6426 7.9181 117.9709 54.7123 33.2231 174.4209 33 N 4.7714 9.5862 122.0194 51.9270 39.9105 174.0956 34 V 4.8039 8.0189 123.5093 61.3256 33.7039 174.0557 35 Y 5.2560 8.8621 124.6144 56.3717 42.4080 174.4622 36 S 5.4212 8.8455 113.8101 57.4626 66.7911 172.5508 37 A 4.8601 8.7339 122.0944 51.5716 23.3373 174.9656 38 G 4.8494 9.0165 105.3647 45.4762 0.0000 174.1678 39 I 3.9182 8.5213 121.1603 63.5933 37.8982 175.8267 40 E 4.9032 8.7355 120.2310 54.5487 34.3292 175.0233 41 T 4.6996 8.4812 110.5407 60.7018 70.0932 173.7137 42 H 4.7412 9.4519 123.4931 54.9217 29.7423 176.1953 43 G 4.0461 8.0279 104.7797 45.4506 0.0000 172.8629 44 V 4.3007 7.9641 119.0574 61.1898 32.1736 175.3979 45 N 4.4308 8.9694 127.0677 53.1336 39.4319 173.7799 46 P 4.2884 0.0000 0.0000 65.7245 31.3645 178.7615 47 K 4.2369 8.6209 118.2293 58.3570 31.8641 179.2742 48 A 4.1540 7.9959 121.6183 55.0621 18.3337 179.7187 49 I 3.6296 7.6686 117.8875 64.6216 36.9645 178.3912 50 E 4.0038 8.3355 119.2277 59.2710 28.5150 179.2521 51 A 4.2501 8.4549 120.9818 55.5779 18.3936 179.6456 52 M 4.0586 8.0077 116.9299 58.0775 32.0294 178.8556 53 K 3.9447 8.1358 119.9606 59.4198 32.0861 178.4446 54 E 4.0875 8.0790 118.6449 58.4680 29.5083 178.1825 55 V 4.2770 6.7715 110.7336 60.3028 32.3402 175.2714 56 D 4.4015 7.9883 116.5217 55.7039 38.6083 173.8121 57 I 4.2217 7.6881 119.1906 59.3506 39.3920 175.0244 58 D 4.5814 8.5917 125.6791 53.2170 41.3275 175.3940 59 I 4.3040 7.9326 119.6786 60.3651 38.0332 177.5984 60 S 4.1510 8.3739 118.1698 61.2935 62.7395 174.6518 61 N 4.6992 7.9503 116.0775 53.0423 37.8368 175.0125 62 H 4.4524 8.0397 117.2621 56.2162 29.3587 174.6992 63 T 4.6213 8.1433 111.5083 59.7560 71.4611 173.5417 64 S 4.6915 8.5505 117.6947 57.5319 62.6318 172.8817 65 D 5.1777 9.1084 128.0733 52.2456 44.0654 176.0609 66 L 4.6775 8.4509 121.0538 54.3657 42.7048 177.0296 67 I 3.9314 8.1212 123.0238 61.7527 37.9878 175.1513 68 D 4.9616 9.1022 125.3449 52.0696 43.5124 176.7073 69 N 4.4216 8.8202 123.7858 56.5464 38.3561 177.2291 70 D 4.3445 8.1037 119.9936 57.2879 40.6644 178.8511 71 I 3.4474 7.6169 119.0929 63.9479 37.3396 177.8768 72 L 4.2601 7.8936 119.9397 57.9797 41.3020 179.8311 73 K 4.0597 7.9516 116.9283 58.7868 32.0259 178.4113 74 Q 4.3976 7.3670 115.4202 54.8572 29.4855 175.9834 75 S 4.4602 7.2905 116.9103 58.5541 63.4307 173.9559 76 D 4.7248 9.1068 124.1085 56.3313 42.4960 176.5603 77 L 5.0100 7.8858 120.0015 53.5440 45.8840 174.7493 78 V 4.6728 8.9132 126.8686 61.1034 33.9398 174.1898 79 V 4.5165 8.3666 128.7424 61.1403 33.7196 174.1968 80 T 4.9075 8.5194 118.6978 60.7010 70.5663 175.2074 81 L 5.5054 9.2203 123.1079 54.2563 43.6904 175.8099 82 C 4.9233 7.8479 113.2456 55.2754 33.0800 175.0252 83 S 4.0735 8.7837 116.2991 61.8848 62.4946 176.4207 84 D 4.3375 8.0917 121.7836 57.0132 40.7394 178.4344 85 A 3.9875 7.9324 120.8975 55.0459 18.2102 179.0061 86 D 4.2453 7.7397 115.5102 57.5145 41.3778 177.8124 87 N 4.5370 7.9265 115.4016 55.2844 38.8590 176.3917 88 N 4.6259 8.0217 115.7799 52.8461 39.4478 175.1506 89 C 4.1482 7.3710 121.3852 58.4602 32.1553 171.6167 90 P 4.4269 0.0000 0.0000 62.1839 31.6058 176.1466 91 I 3.7769 8.1060 121.3647 61.6087 37.3041 176.4529 92 L 4.4409 8.2315 125.3180 52.9906 42.9917 175.0081 93 P 4.4560 0.0000 0.0000 61.9515 31.8649 176.1168 94 P 4.3087 0.0000 0.0000 65.3020 31.3127 177.1337 95 N 4.5742 8.0610 112.9216 53.0376 37.9979 174.5639 96 V 4.2298 7.5439 120.4615 61.5302 32.4572 175.6289 97 K 4.3848 8.4696 127.6172 56.0943 33.4800 175.9812 98 K 5.0663 8.5727 124.1549 54.7514 34.9890 174.9938 99 E 4.8295 9.0885 125.6127 54.8325 34.1472 173.9940 100 H 5.1351 9.0402 122.8703 54.6565 31.8043 173.9762 101 W 4.6159 8.8024 127.6100 54.7035 30.0560 174.7512 102 G 3.9299 8.0460 111.6204 45.7801 0.0000 170.6378 103 F 5.0429 8.3794 122.5581 55.1676 42.8803 174.9110 104 D 4.3851 8.8560 121.7423 54.3379 41.2846 175.8455 105 D 4.4528 8.4779 122.8489 53.2728 41.4392 174.4198 106 P 4.0560 0.0000 0.0000 63.3431 31.9393 175.9960 107 A 4.3210 7.7342 123.7150 53.8009 18.4620 178.0830 108 G 3.9778 9.1953 110.9124 45.4864 0.0000 173.3517 109 K 4.4772 7.5747 118.9851 54.4813 34.1132 176.0484 110 E 4.3336 8.3901 118.7068 56.0237 30.1457 178.1529 111 W 4.6366 9.1405 130.8005 60.9807 30.5538 178.3639 112 S 4.0640 8.3296 113.6290 61.4393 62.1624 176.2138 113 E 3.9627 8.4320 122.1256 58.9082 29.2123 179.1139 114 F 3.7826 8.0043 118.1634 60.3186 39.0304 177.7533 115 Q 3.7266 7.4131 117.2217 58.6797 28.5433 178.5400 116 R 3.7919 7.8943 119.6467 59.5638 30.2140 178.7887 117 V 3.5555 7.7923 118.0680 65.7158 31.5449 177.7737 118 R 3.9410 7.9533 118.5442 59.8359 30.0857 178.3515 119 D 4.2973 8.0014 117.9059 57.1016 40.8300 178.6539 120 E 3.9890 8.1317 119.4752 59.3224 29.4323 179.3515 121 I 3.2132 7.4480 119.9648 63.7198 37.0379 178.2446 122 K 2.7443 7.1148 119.9365 59.2409 31.8155 178.8402 123 L 3.8175 7.4244 118.4522 57.6360 41.4757 179.4798 124 A 3.7818 7.8510 120.6407 55.0618 18.2899 179.7912 125 I 3.9999 7.7514 118.4298 64.4574 36.9603 178.5216 126 E 3.9920 8.0182 118.9523 59.1156 29.0051 178.9193 127 K 4.0206 8.0337 119.9029 59.2597 32.2816 178.7249 128 F 4.1495 8.1330 121.0615 61.1265 39.1276 176.9882 129 K 3.8124 7.8898 118.2858 59.1839 32.0543 177.7124 130 L 4.1872 7.2718 116.9970 55.9264 42.2107 176.6796 131 R 4.0470 7.5080 121.9891 57.2148 29.9927 176.1753 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 D 8.36 4.50 0.00 2.60 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 3 K 7.62 4.11 0.00 1.71 1.66 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.39 1.50 7.81 4 K 9.02 4.27 0.00 0.79 0.91 0.00 0.73 0.00 0.00 1.34 0.00 0.00 2.58 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.06 0.86 7.81 5 T 9.07 5.29 4.46 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 1.40 0.00 0.00 6 I 8.99 4.88 1.49 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.11 0.96 0.82 0.00 0.00 7 Y 8.48 5.31 0.00 2.89 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 8 F 9.20 5.06 0.00 3.10 2.84 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 9 I 9.17 5.36 1.72 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 1.80 0.77 0.00 0.00 10 S 8.26 5.10 0.00 3.84 3.96 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 11 T 8.76 3.80 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 12 G 7.72 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 13 N 7.52 4.74 0.00 2.78 2.84 0.00 0.00 7.01 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 14 S 8.29 5.03 0.00 3.96 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 15 A 7.27 4.61 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 16 R 8.12 3.85 0.00 1.87 1.98 0.00 3.24 0.00 0.00 3.65 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 17 S 8.00 4.15 0.00 4.09 4.14 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 18 Q 7.97 4.07 0.00 2.26 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.95 0.00 0.00 0.00 0.00 0.00 2.49 2.57 0.00 19 M 8.37 3.97 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.52 0.00 20 A 7.88 3.65 0.23 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 21 E 8.10 4.10 0.00 2.28 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 2.35 2.42 0.00 22 G 8.07 3.49 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 0.00 0.00 0.00 0.00 23 W 8.35 4.56 0.00 3.28 3.10 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 0.00 0.00 0.00 24 G 8.64 3.81 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 0.00 0.00 0.00 25 K 8.37 4.06 0.00 1.86 1.91 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.55 7.81 26 E 7.75 4.15 0.00 2.05 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 2.41 2.40 0.00 27 I 8.10 4.10 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 1.63 0.95 0.97 0.00 0.00 28 L 8.16 4.70 0.00 1.91 1.76 0.77 1.25 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 29 G 7.76 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 0.00 0.00 0.00 0.00 30 E 8.07 3.86 0.00 2.06 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 2.37 2.39 0.00 31 G 8.07 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 32 W 7.92 5.64 0.00 3.44 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 33 N 9.59 4.77 0.00 2.64 2.52 0.00 0.00 6.22 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 34 V 8.02 4.80 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 1.04 0.00 0.00 1.05 0.00 0.00 35 Y 8.86 5.26 0.00 3.09 2.88 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 36 S 8.85 5.42 0.00 4.01 3.96 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 37 A 8.73 4.86 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 38 G 9.02 4.85 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 39 I 8.52 3.92 1.95 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.82 0.90 0.00 0.00 40 E 8.74 4.90 0.00 1.82 1.82 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 2.22 2.21 0.00 41 T 8.48 4.70 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 42 H 9.45 4.74 0.00 3.21 3.35 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.03 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 44 V 7.96 4.30 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 0.83 0.00 0.00 1.03 0.00 0.00 45 N 8.97 4.43 0.00 2.88 2.82 0.00 0.00 6.75 7.27 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 46 P 0.00 4.29 0.00 2.14 2.05 0.00 3.64 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 47 K 8.62 4.24 0.00 1.21 0.84 0.00 1.41 0.00 0.00 1.20 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.20 1.10 7.81 48 A 8.00 4.15 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 49 I 7.67 3.63 1.99 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 1.60 0.86 0.87 0.00 0.00 50 E 8.34 4.00 0.00 2.23 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 2.23 2.42 0.00 51 A 8.45 4.25 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 52 M 8.01 4.06 0.00 1.88 1.96 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.72 0.00 53 K 8.14 3.94 0.00 1.91 1.97 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.42 7.81 54 E 8.08 4.09 0.00 2.34 2.31 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 2.42 2.46 0.00 55 V 6.77 4.28 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 0.59 0.00 0.00 56 D 7.99 4.40 0.00 2.83 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 57 I 7.69 4.22 1.42 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.46 0.64 0.00 0.00 58 D 8.59 4.58 0.00 2.56 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 59 I 7.93 4.30 1.30 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.51 0.67 0.00 0.00 60 S 8.37 4.15 0.00 3.99 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 N 7.95 4.70 0.00 2.88 2.98 0.00 0.00 6.07 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 62 H 8.04 4.45 0.00 3.29 3.44 0.00 5.61 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.14 4.62 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 1.24 0.00 0.00 64 S 8.55 4.69 0.00 3.81 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 65 D 9.11 5.18 0.00 2.66 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 66 L 8.45 4.68 0.00 1.55 1.61 0.93 0.85 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 67 I 8.12 3.93 1.87 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 0.93 0.53 0.95 0.00 0.00 68 D 9.10 4.96 0.00 2.73 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 69 N 8.82 4.42 0.00 2.77 2.85 0.00 0.00 7.16 8.08 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 70 D 8.10 4.34 0.00 2.84 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 71 I 7.62 3.45 1.18 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.30 -0.24 0.00 0.00 72 L 7.89 4.26 0.00 1.94 1.78 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 73 K 7.95 4.06 0.00 1.93 1.86 0.00 1.58 0.00 0.00 2.00 0.00 0.00 3.12 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.52 7.81 74 Q 7.37 4.40 0.00 1.91 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.86 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 75 S 7.29 4.46 0.00 4.05 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 76 D 9.11 4.72 0.00 2.96 2.85 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 77 L 7.89 5.01 0.00 1.85 1.35 0.54 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 78 V 8.91 4.67 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 1.02 0.00 0.00 79 V 8.37 4.52 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 -0.17 0.00 0.00 -0.33 0.00 0.00 80 T 8.52 4.91 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 1.15 0.00 0.00 81 L 9.22 5.51 0.00 1.69 1.93 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 82 C 7.85 4.92 0.00 3.08 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.78 4.07 0.00 4.03 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 0.00 84 D 8.09 4.34 0.00 2.71 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 7.93 3.99 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.74 4.25 0.00 2.72 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 87 N 7.93 4.54 0.00 2.76 2.84 0.00 0.00 7.05 7.49 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 88 N 8.02 4.63 0.00 2.79 2.84 0.00 0.00 6.95 7.24 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 89 C 7.37 4.15 0.00 3.12 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 90 P 0.00 4.43 0.00 2.08 1.97 0.00 3.72 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 91 I 8.11 3.78 1.87 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 1.41 0.46 0.91 0.00 0.00 92 L 8.23 4.44 0.00 1.64 1.60 0.93 1.16 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 93 P 0.00 4.46 0.00 2.26 1.97 0.00 3.63 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 94 P 0.00 4.31 0.00 2.04 2.14 0.00 3.67 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 95 N 8.06 4.57 0.00 2.84 2.94 0.00 0.00 5.90 7.68 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 96 V 7.54 4.23 2.21 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 0.87 0.00 0.00 1.02 0.00 0.00 97 K 8.47 4.38 0.00 2.00 1.77 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.51 1.45 7.81 98 K 8.57 5.07 0.00 1.71 1.64 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.27 1.39 7.81 99 E 9.09 4.83 0.00 1.81 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 0.00 2.36 2.32 0.00 100 H 9.04 5.14 0.00 3.25 3.26 0.00 5.88 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 0.00 101 W 8.80 4.62 0.00 3.29 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 0.00 102 G 8.05 3.93 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 0.00 0.00 0.00 103 F 8.38 5.04 0.00 2.85 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 0.00 104 D 8.86 4.39 0.00 2.66 2.58 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 0.00 0.00 0.00 0.00 105 D 8.48 4.45 0.00 2.63 2.57 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 0.00 106 P 0.00 4.06 0.00 0.49 1.64 0.00 3.57 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.45 0.00 107 A 7.73 4.32 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 0.00 108 G 9.20 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 0.00 109 K 7.57 4.48 0.00 1.91 1.80 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.49 7.81 110 E 8.39 4.33 0.00 2.11 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 2.48 2.36 0.00 111 W 9.14 4.64 0.00 3.39 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 0.00 112 S 8.33 4.06 0.00 4.08 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 0.00 113 E 8.43 3.96 0.00 2.06 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 2.32 2.47 0.00 114 F 8.00 3.78 0.00 2.81 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 0.00 115 Q 7.41 3.73 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.91 0.00 0.00 0.00 0.00 0.00 2.07 1.45 0.00 116 R 7.89 3.79 0.00 1.90 1.99 0.00 3.08 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.61 0.00 117 V 7.79 3.56 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 0.83 0.00 0.00 0.91 0.00 0.00 118 R 7.95 3.94 0.00 2.04 2.18 0.00 3.25 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 2.12 1.87 0.00 119 D 8.00 4.30 0.00 2.83 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 0.00 120 E 8.13 3.99 0.00 2.24 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 2.36 2.52 0.00 121 I 7.45 3.21 1.79 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 -0.21 -0.36 0.68 0.00 0.00 122 K 7.11 2.74 0.00 0.79 1.26 0.00 1.16 0.00 0.00 0.68 0.00 0.00 2.59 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.77 0.21 7.81 123 L 7.42 3.82 0.00 1.80 1.59 0.84 0.59 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 0.00 124 A 7.85 3.78 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 0.00 125 I 7.75 4.00 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.89 1.07 0.00 0.00 126 E 8.02 3.99 0.00 1.97 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 2.28 2.31 0.00 127 K 8.03 4.02 0.00 1.83 1.80 0.00 1.44 0.00 0.00 1.46 0.00 0.00 2.75 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.36 7.81 128 F 8.13 4.15 0.00 3.31 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 0.00 129 K 7.89 3.81 0.00 1.98 1.99 0.00 1.89 0.00 0.00 1.65 0.00 0.00 3.23 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.51 7.81 130 L 7.27 4.19 0.00 1.81 1.71 0.90 0.93 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 0.00 131 R 7.51 4.05 0.00 1.71 1.74 0.00 3.18 0.00 0.00 3.31 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00