NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 A 4.3509 8.2493 123.5835 52.1868 19.9258 175.9518 18 R 4.0559 8.4152 113.3265 56.6167 30.0617 174.1912 19 S 4.6138 7.6021 110.9527 56.7113 67.1577 174.8901 20 L 4.7216 8.6484 122.8397 54.6890 42.2971 175.9076 21 S 4.7713 8.6659 119.3053 57.2859 66.8815 172.4695 22 I 5.0495 8.1291 120.8509 59.7590 39.4447 175.6010 23 T 3.9277 8.4550 123.8748 64.1361 69.0833 174.5424 24 T 3.2660 8.5967 124.1012 63.7035 64.9849 170.5788 25 P 4.5712 0.0000 0.0000 64.2171 32.9018 177.0461 26 E 5.1776 7.8601 119.3952 54.9752 33.0990 174.4647 27 E 4.8279 9.1518 124.3085 54.7967 34.0513 173.9099 28 M 5.2326 8.6611 122.9633 53.7967 35.3435 174.6631 29 I 4.5670 8.6804 124.8837 59.2714 40.3832 174.2687 30 E 5.1064 8.8388 127.1607 54.4474 31.9669 174.8056 31 K 4.8232 9.0302 124.4481 54.9213 37.6918 174.8375 32 A 5.1588 9.0081 123.1631 49.9836 21.2965 176.9513 33 K 4.0870 8.6671 120.3418 58.8400 32.7056 175.9112 34 G 4.1471 9.4717 110.9330 45.0324 0.0000 173.6643 35 E 4.6029 7.8872 118.1540 56.3943 30.9919 176.0472 36 T 4.9447 8.3258 110.8985 60.2522 71.0085 173.6861 37 A 4.5718 8.7810 127.0929 50.5350 21.1287 175.2201 38 Y 4.8495 8.5367 124.6416 56.2647 39.7375 175.1037 39 L 4.3187 8.4642 129.0557 52.4291 42.5773 174.2257 40 P 4.2730 0.0000 0.0000 62.5323 32.3700 178.1321 41 C 5.0302 9.0188 123.1434 55.6694 40.8024 171.6884 42 K 5.1586 8.3160 122.1623 54.6763 34.0974 175.4119 43 F 5.4472 8.7171 118.4335 55.5744 41.8159 173.5433 44 T 4.7497 8.8499 116.5682 61.9883 71.1878 173.4003 45 L 5.1235 8.5141 124.0374 53.0966 44.5836 175.9781 46 S 5.0556 8.9677 117.0709 55.7498 65.5288 173.4756 47 P 4.3459 0.0000 0.0000 65.3853 31.0264 177.3054 48 E 4.1834 8.0371 115.6621 58.2255 30.1767 177.4118 49 D 4.8881 7.6941 120.4360 54.1966 38.4642 175.7853 50 Q 4.3419 8.0426 118.3870 55.5755 29.8618 176.2760 51 G 3.9443 7.8623 108.1548 43.5655 0.0000 171.4064 52 P 4.4132 0.0000 0.0000 61.9161 31.9421 175.9815 53 L 4.2429 8.4211 124.4937 55.5948 43.0036 176.1259 54 D 4.7468 9.1342 126.0099 53.5123 43.7673 173.5508 55 I 5.0366 9.0648 127.0852 59.6200 41.1332 174.5754 56 E 5.2159 8.7889 124.5716 55.0854 33.5545 173.6763 57 W 5.2560 9.5810 126.8658 55.1539 32.0504 175.0341 58 L 5.3014 8.9872 122.1478 53.0391 46.1302 175.1406 59 I 4.4193 8.4738 120.8985 59.3529 41.4750 174.5484 60 S 4.8068 8.7199 126.2474 55.8205 63.4638 171.4490 61 P 4.6688 0.0000 0.0000 62.3592 31.5465 176.8644 62 A 4.1427 8.8154 125.8540 55.2092 18.4723 178.8176 63 D 4.5531 8.0528 113.6515 54.9069 39.9637 175.1462 64 N 5.0919 7.5770 115.6820 51.2338 40.4759 174.1924 65 Q 4.1722 8.5339 116.0795 57.4497 29.1202 177.3330 66 K 4.1958 7.8187 117.3891 56.4185 32.7271 176.2769 67 V 4.3645 7.6137 119.9962 62.1785 35.0002 174.4204 68 D 4.2511 8.0507 122.1041 55.4010 38.9468 174.5618 69 Q 4.4283 8.1360 118.2329 54.4041 30.4452 177.1859 70 V 4.0177 8.5621 124.5279 64.0947 31.4188 175.0473 71 I 4.5683 8.8405 120.5587 62.2513 39.5935 175.6176 72 I 5.1077 7.5788 120.8801 59.4115 41.6011 173.2563 73 L 5.4955 9.3915 126.5797 54.6784 44.7765 174.2283 74 Y 5.4493 9.5833 120.8017 56.1661 41.9603 174.0703 75 S 4.4970 8.9964 120.1113 57.3223 67.0653 174.2616 76 G 4.1660 9.2707 107.9843 46.9245 0.0000 173.1809 77 D 4.4257 7.7568 113.6521 53.8784 38.7769 173.9659 78 K 4.4977 7.1745 116.3488 54.5070 35.6985 175.3822 79 I 4.9691 8.0160 122.3528 60.0108 38.7862 174.8238 80 Y 4.9003 9.1621 122.9809 56.4731 40.0722 175.7218 81 D 5.2193 8.9080 121.4074 53.0939 41.0354 176.3957 82 D 4.6795 7.7669 121.5930 53.4616 39.4621 174.6150 83 Y 4.4862 7.9074 116.6437 58.9634 41.6995 175.3297 84 Y 4.5841 7.9301 123.5439 55.0214 39.3506 173.6759 85 P 4.2135 0.0000 0.0000 65.7163 31.6132 178.9077 86 D 4.3638 7.4356 116.2093 56.4355 41.0750 176.8784 87 L 4.6386 7.9848 117.7656 53.8641 42.1232 175.9507 88 K 4.0246 7.5737 120.9617 58.0657 32.2262 177.3896 89 G 4.0212 8.9580 113.7620 45.8429 0.0000 173.7298 90 R 4.7457 7.9800 117.3709 55.1834 31.5310 175.7481 91 V 5.0843 7.8486 119.3011 60.3250 34.0073 174.2232 92 H 4.8543 7.9910 120.9740 54.0610 31.8506 172.6755 93 F 4.8607 8.6943 120.2529 58.1860 38.6704 175.7165 94 T 4.2170 8.8498 114.7210 64.1344 69.3020 175.5975 95 S 4.4035 7.9946 115.7779 57.6973 63.0965 173.4773 96 N 4.5339 8.6741 123.4512 54.8269 37.7127 174.5521 97 D 4.7027 7.8004 117.9080 51.3527 41.6925 175.3524 98 L 4.3207 8.3879 124.5466 56.4726 41.9394 179.9323 99 K 4.0891 7.8002 116.0567 59.5142 32.5459 177.6666 100 S 4.2290 7.4629 114.2990 58.6058 63.0582 174.0775 101 G 2.6222 7.3259 110.8039 45.4029 0.0000 173.2896 102 D 4.7794 7.8223 119.3056 52.3104 42.0669 174.5477 103 A 4.9500 9.0660 127.0145 51.7883 19.8593 177.1507 104 S 4.7324 8.6170 114.6060 59.8790 64.2219 173.5939 105 I 4.9018 7.9669 115.1643 59.1699 40.8544 173.5808 106 N 5.1450 8.5079 120.4657 51.5976 41.1901 174.2348 107 V 4.3485 8.5269 124.4390 61.4237 33.0077 175.0647 108 T 4.3313 8.8844 119.4940 60.3762 70.8349 173.7818 109 N 4.7743 8.3647 117.7999 53.1310 37.3613 173.9624 110 L 4.1764 8.5449 119.8540 55.4742 43.0303 177.6969 111 Q 4.8581 9.2147 122.5861 53.9867 31.0985 176.8514 112 L 4.1604 8.2717 119.0707 57.4807 41.8568 179.4880 113 S 4.5459 7.9922 111.6763 60.1538 63.2539 174.5633 114 D 4.6809 7.7943 119.9471 55.4033 41.1016 176.5189 115 I 4.0235 7.7111 121.1423 61.3793 38.1290 176.1014 116 G 4.2562 8.0219 112.3227 47.0647 0.0000 170.5245 117 T 5.1461 7.6146 116.4172 62.3004 70.4931 173.7922 118 Y 5.0770 9.5030 124.5399 56.2739 40.8293 174.4000 119 Q 4.9163 9.3583 125.5238 54.3800 31.9395 173.0959 120 C 3.8611 8.2494 127.2799 54.8418 41.8323 172.1364 121 K 4.8528 8.4933 125.7634 54.4639 34.9144 175.0866 122 V 4.3788 8.5884 125.4914 60.7881 34.1603 174.3171 123 K 4.9339 8.8023 126.8452 54.6181 35.5718 175.4935 124 K 5.0356 8.8020 125.6420 54.0173 33.6301 174.4581 125 A 4.1008 8.5977 127.1044 51.8045 19.0523 176.0399 126 P 4.4717 0.0000 0.0000 63.0543 32.3561 176.9510 127 G 3.7305 7.7035 109.5454 46.2116 0.0000 172.7274 128 V 4.9810 7.9598 121.7148 61.5534 34.8503 173.4504 129 A 4.8185 8.7292 126.7418 50.9636 22.8952 174.8022 130 N 5.3758 8.4537 115.8411 51.1342 41.0242 173.5879 131 K 4.7384 8.9000 120.8853 54.7183 36.1874 174.8173 132 K 5.0297 8.8583 126.1203 54.7792 34.9522 175.2508 133 I 4.9834 8.8911 124.9422 59.9216 40.8562 174.2193 134 H 5.1696 9.0719 125.1487 54.6188 30.1409 173.9808 135 L 4.9951 9.1297 127.6358 53.6417 43.5952 175.2363 136 V 4.6541 8.7630 126.8685 61.1372 34.1933 174.4180 137 V 4.8981 8.3173 126.0817 61.2553 33.8155 174.5939 138 L 4.6699 9.0654 128.1766 53.3107 44.3395 177.2306 139 V 3.8938 8.1582 119.5813 63.1257 31.5451 175.7013 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 17 A 8.25 4.35 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 18 R 8.42 4.06 0.00 2.01 2.07 0.00 3.06 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 19 S 7.60 4.61 0.00 3.85 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 20 L 8.65 4.72 0.00 1.83 1.62 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.67 4.77 0.00 3.90 3.90 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 22 I 8.13 5.05 1.87 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 1.41 0.67 1.00 0.00 0.00 23 T 8.45 3.93 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 24 T 8.60 3.27 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 1.28 0.00 0.00 25 P 0.00 4.57 0.00 2.10 2.28 0.00 3.65 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 2.07 2.00 0.00 26 E 7.86 5.18 0.00 1.94 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 0.00 2.25 2.40 0.00 27 E 9.15 4.83 0.00 2.06 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 0.00 2.23 2.31 0.00 28 M 8.66 5.23 0.00 1.91 1.96 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.57 0.00 29 I 8.68 4.57 1.85 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 1.13 0.84 0.89 0.00 0.00 30 E 8.84 5.11 0.00 1.95 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.31 0.00 31 K 9.03 4.82 0.00 1.64 1.74 0.00 1.71 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.49 7.81 32 A 9.01 5.16 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 33 K 8.67 4.09 0.00 1.84 1.85 0.00 1.60 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.58 1.42 7.81 34 G 9.47 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 35 E 7.89 4.60 0.00 2.08 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 0.00 2.32 2.35 0.00 36 T 8.33 4.94 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 1.21 0.00 0.00 37 A 8.78 4.57 1.10 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 0.00 0.00 38 Y 8.54 4.85 0.00 2.87 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 39 L 8.46 4.32 0.00 0.84 1.33 0.03 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.27 0.00 1.96 2.01 0.00 3.64 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 2.21 2.10 0.00 41 C 9.02 5.03 0.00 3.25 3.28 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 42 K 8.32 5.16 0.00 1.79 1.67 0.00 1.70 0.00 0.00 1.87 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.64 1.50 7.81 43 F 8.72 5.45 0.00 3.13 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 44 T 8.85 4.75 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 1.21 0.00 0.00 45 L 8.51 5.12 0.00 1.54 1.61 1.04 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 46 S 8.97 5.06 0.00 3.96 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 47 P 0.00 4.35 0.00 2.20 2.24 0.00 3.87 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 1.99 1.97 0.00 48 E 8.04 4.18 0.00 2.10 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 2.27 2.33 0.00 49 D 7.69 4.89 0.00 2.86 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 50 Q 8.04 4.34 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.01 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 51 G 7.86 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 52 P 0.00 4.41 0.00 2.20 2.07 0.00 3.78 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 53 L 8.42 4.24 0.00 1.77 1.82 0.88 1.25 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 54 D 9.13 4.75 0.00 2.97 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 55 I 9.06 5.04 1.98 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.49 0.97 0.00 0.00 56 E 8.79 5.22 0.00 2.05 1.70 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 2.16 2.28 0.00 57 W 9.58 5.26 0.00 3.22 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.99 5.30 0.00 1.50 1.42 0.85 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.47 4.42 1.15 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.66 0.01 0.00 0.00 60 S 8.72 4.81 0.00 3.68 3.72 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 61 P 0.00 4.67 0.00 2.31 2.06 0.00 3.90 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 62 A 8.82 4.14 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 D 8.05 4.55 0.00 2.80 2.83 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 64 N 7.58 5.09 0.00 2.80 2.81 0.00 0.00 6.11 7.39 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 65 Q 8.53 4.17 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.02 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 66 K 7.82 4.20 0.00 1.80 1.79 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.46 7.81 67 V 7.61 4.36 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 0.81 0.00 0.00 0.94 0.00 0.00 68 D 8.05 4.25 0.00 2.80 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 69 Q 8.14 4.43 0.00 1.83 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.58 0.00 70 V 8.56 4.02 1.97 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 0.62 0.00 0.00 0.82 0.00 0.00 71 I 8.84 4.57 1.93 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.88 0.74 0.00 0.00 72 I 7.58 5.11 1.80 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.54 0.63 0.00 0.00 73 L 9.39 5.50 0.00 2.00 1.72 1.11 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 74 Y 9.58 5.45 0.00 2.99 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 75 S 9.00 4.50 0.00 3.92 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 76 G 9.27 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 77 D 7.76 4.43 0.00 2.79 2.78 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 78 K 7.17 4.50 0.00 1.63 1.03 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.21 1.40 7.81 79 I 8.02 4.97 1.98 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.79 1.23 0.00 0.00 80 Y 9.16 4.90 0.00 3.26 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 81 D 8.91 5.22 0.00 2.78 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 82 D 7.77 4.68 0.00 2.41 2.45 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 83 Y 7.91 4.49 0.00 3.06 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 84 Y 7.93 4.58 0.00 3.28 2.95 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 85 P 0.00 4.21 0.00 2.02 2.00 0.00 3.18 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 1.97 2.04 0.00 86 D 7.44 4.36 0.00 2.60 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 87 L 7.98 4.64 0.00 2.01 1.78 1.04 0.86 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 88 K 7.57 4.02 0.00 1.88 1.74 0.00 1.84 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.41 7.81 89 G 8.96 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 90 R 7.98 4.75 0.00 1.92 2.11 0.00 3.29 0.00 0.00 3.20 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 91 V 7.85 5.08 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 0.84 0.00 0.00 0.91 0.00 0.00 92 H 7.99 4.85 0.00 3.20 3.32 0.00 5.51 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 F 8.69 4.86 0.00 3.05 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 94 T 8.85 4.22 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 1.42 0.00 0.00 95 S 7.99 4.40 0.00 4.10 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 96 N 8.67 4.53 0.00 2.88 2.94 0.00 0.00 5.78 8.06 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 97 D 7.80 4.70 0.00 2.71 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.39 4.32 0.00 1.14 1.10 0.76 -0.72 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 99 K 7.80 4.09 0.00 1.92 2.04 0.00 1.62 0.00 0.00 1.80 0.00 0.00 3.12 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.52 7.81 100 S 7.46 4.23 0.00 3.92 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 0.00 101 G 7.33 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 0.00 0.00 0.00 102 D 7.82 4.78 0.00 2.64 2.49 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 0.00 103 A 9.07 4.95 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 0.00 0.00 0.00 0.00 0.00 0.00 104 S 8.62 4.73 0.00 3.93 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 I 7.97 4.90 1.29 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.06 0.17 0.00 0.00 106 N 8.51 5.15 0.00 2.29 2.59 0.00 0.00 6.79 7.25 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 0.00 107 V 8.53 4.35 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 0.86 0.00 0.00 0.56 0.00 0.00 108 T 8.88 4.33 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 0.00 109 N 8.36 4.77 0.00 2.90 2.78 0.00 0.00 7.68 6.66 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 0.00 110 L 8.54 4.18 0.00 1.73 1.60 0.88 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 111 Q 9.21 4.86 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 112 L 8.27 4.16 0.00 1.73 1.74 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 113 S 7.99 4.55 0.00 4.13 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 0.00 114 D 7.79 4.68 0.00 2.95 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 0.00 115 I 7.71 4.02 1.92 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 1.28 0.80 0.99 0.00 0.00 116 G 8.02 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 0.00 0.00 0.00 0.00 117 T 7.61 5.15 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 1.12 0.00 0.00 118 Y 9.50 5.08 0.00 2.98 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 0.00 119 Q 9.36 4.92 0.00 1.98 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.86 0.00 0.00 0.00 0.00 0.00 2.06 2.28 0.00 120 C 8.25 3.86 0.00 1.23 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 0.00 0.00 0.00 0.00 121 K 8.49 4.85 0.00 1.55 1.53 0.00 1.57 0.00 0.00 1.48 0.00 0.00 2.68 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.19 1.17 7.81 122 V 8.59 4.38 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 0.02 0.00 0.00 0.46 0.00 0.00 123 K 8.80 4.93 0.00 1.74 1.59 0.00 1.63 0.00 0.00 1.53 0.00 0.00 2.75 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.27 1.25 7.81 124 K 8.80 5.04 0.00 1.70 1.67 0.00 1.91 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.52 7.81 125 A 8.60 4.10 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 0.00 126 P 0.00 4.47 0.00 2.18 2.16 0.00 3.87 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 127 G 7.70 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 V 7.96 4.98 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.89 0.00 0.00 129 A 8.73 4.82 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 0.00 130 N 8.45 5.38 0.00 2.60 2.62 0.00 0.00 5.76 7.13 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 0.00 131 K 8.90 4.74 0.00 1.71 1.45 0.00 1.67 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.29 1.51 7.81 132 K 8.86 5.03 0.00 1.71 1.58 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.34 7.81 133 I 8.89 4.98 2.05 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.99 0.94 0.00 0.00 134 H 9.07 5.17 0.00 3.20 3.31 0.00 5.79 0.00 0.00 0.00 0.00 6.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 9.13 5.00 0.00 1.69 1.72 0.87 0.40 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 0.00 136 V 8.76 4.65 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 0.89 0.00 0.00 0.97 0.00 0.00 137 V 8.32 4.90 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 0.91 0.00 0.00 0.95 0.00 0.00 138 L 9.07 4.67 0.00 1.60 1.56 0.93 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 139 V 8.16 3.89 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 0.78 0.00 0.00 0.94 0.00 0.00