NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.4803 8.1933 115.4131 58.6446 65.3389 175.8231 6 T 3.6741 7.8592 117.7973 65.8982 68.1208 175.1313 7 S 4.1176 8.8071 117.9306 61.6307 63.3867 176.2684 8 I 3.6975 7.7226 121.9620 64.4899 36.8652 178.4804 9 S 4.1273 8.2792 116.0598 61.5832 62.5919 176.6897 10 S 4.0753 8.3396 116.0183 61.4869 62.0878 176.2440 11 I 3.6919 7.9668 122.5973 64.6372 36.8506 178.5236 12 T 3.8813 7.9793 116.4195 67.0151 68.4417 176.8123 13 T 3.8870 8.0261 117.4950 66.8584 68.4300 176.5936 14 N 4.3791 8.4440 118.5858 56.5918 38.4443 177.7111 15 T 3.8320 8.3350 117.6276 66.7585 68.4123 176.8800 16 T 3.9255 8.0194 117.8086 66.7556 68.4206 176.3928 17 N 4.2960 8.0618 118.1277 55.9826 38.4402 177.2497 18 L 3.9130 8.1166 122.0989 57.9667 42.2367 179.1637 19 G 2.3625 7.6442 105.8559 47.4866 0.0000 175.2318 20 N 4.3783 7.9793 120.0888 56.0190 38.6392 177.7576 21 S 4.1538 8.2082 115.5081 61.3344 63.1536 176.7105 22 T 3.8155 8.0700 119.5160 66.5165 68.2483 176.3960 23 A 4.0252 8.1221 122.4452 55.0785 18.1505 179.5402 24 A 3.9299 8.0362 118.2057 55.3606 18.5723 179.4832 25 A 4.1040 7.9124 118.0963 55.2157 18.4730 179.5878 26 L 4.1879 8.1500 117.1623 57.6388 42.4577 179.0594 27 G 3.7138 9.1451 108.3304 46.0839 0.0000 174.6740 28 G 3.5011 9.6651 110.6999 46.5241 0.0000 174.7917 29 G 3.8018 8.4890 104.6522 45.0776 0.0000 174.3058 30 A 4.4339 7.9270 121.4390 51.7881 18.9359 177.7368 31 T 4.7637 8.8364 110.5667 60.1244 72.7607 171.9252 32 Y 5.1051 8.5710 123.4755 56.1165 41.5000 173.7139 33 D 4.7195 7.8804 126.2568 51.7956 42.1776 175.0636 34 P 4.0032 0.0000 0.0000 64.9728 31.6546 178.1223 35 A 4.1330 8.1472 121.0244 54.1692 18.3600 178.1323 36 T 4.3605 7.5494 103.0044 60.4613 70.5518 175.3144 37 G 3.9883 8.2390 109.5637 44.4590 0.0000 173.1998 38 A 4.3191 7.5994 122.8789 51.5753 19.8618 176.6966 39 I 4.9013 8.3664 123.7740 60.0210 38.2406 176.1896 40 S 4.3833 9.1327 122.9462 57.8615 64.2696 173.7117 41 A 4.2708 8.4799 124.2042 51.5278 18.9435 175.7359 42 P 4.3888 0.0000 0.0000 62.7277 33.2682 175.4973 43 S 4.5848 8.4728 116.8481 57.1428 65.2996 173.2284 44 Y 4.9224 8.6458 123.7288 56.4165 40.2090 175.3786 45 T 4.8552 8.7227 121.7068 63.1916 69.6169 174.2136 46 T 4.8340 8.7592 115.7864 60.0887 72.7758 172.2942 47 Y 4.6874 8.5519 119.5831 56.2865 39.4663 176.0443 48 N 4.6034 8.7436 122.3843 52.8451 39.5092 174.9816 49 A 4.0518 8.3104 120.4316 52.6280 19.1017 177.4362 50 N 4.7886 8.0366 112.6559 52.4341 37.5884 175.8253 51 G 3.8998 8.4856 105.4311 46.1562 0.0000 173.2908 52 T 4.7656 7.6111 109.6765 59.8860 72.1431 172.9473 53 T 4.9019 8.2816 110.8573 59.7281 71.9726 172.9409 54 A 4.7849 8.7625 123.4960 50.4440 22.4541 175.2268 55 T 4.8124 8.4295 117.2264 62.1875 70.1538 173.8167 56 N 5.0409 9.3096 125.0679 51.6020 40.9116 175.6658 57 T 5.1447 8.8228 111.6507 60.6736 69.5009 174.5433 58 S 4.8123 7.5424 116.2928 56.0081 67.4622 174.7964 59 V 3.6466 8.6101 122.2303 66.2452 31.3140 178.4869 60 G 3.6261 8.1804 104.7464 47.7913 0.0000 175.2517 61 A 4.0085 8.2345 122.9066 54.8178 18.3314 179.6414 62 A 3.9711 7.9240 119.0897 55.3621 18.5009 179.8800 63 I 3.6210 7.8797 118.3820 64.7106 37.1219 178.4135 64 D 4.3781 8.3122 119.7463 57.5084 40.5793 178.6740 65 N 4.3895 8.4005 117.0190 56.1723 38.4978 177.4328 66 I 3.9906 7.8774 122.7166 64.0375 37.0261 178.2810 67 N 4.3661 7.9447 115.5603 56.2315 38.4569 177.1732 68 A 4.2001 8.3160 121.7170 54.3155 18.6262 177.8212 69 N 4.8017 8.6890 111.2415 52.3891 40.4708 174.6226 70 G 3.8773 8.4539 105.0983 44.1336 0.0000 172.0680 71 I 4.4769 7.7100 110.6547 57.8971 40.2904 174.6927 72 K 3.4395 8.0717 121.3780 58.3661 31.8242 176.4483 73 Y 3.7662 8.5194 121.8421 58.2058 36.0244 169.4960 74 F 4.6292 8.1692 118.3062 55.7238 40.5702 172.4409 75 H 5.1818 8.6300 120.7941 53.4988 31.8271 173.1461 76 A 4.6231 8.6767 126.4962 50.3313 20.7962 175.6198 77 N 4.6423 8.5571 122.5964 52.5069 37.9296 173.6375 78 S 4.5908 7.7911 116.8658 57.7510 65.1386 174.6999 79 T 4.5339 8.3226 112.4444 61.2710 69.1304 173.6509 80 D 4.6626 8.1012 122.7319 53.2007 41.9447 174.0316 81 P 4.4484 0.0000 0.0000 62.6443 32.3472 176.0008 82 D 4.8704 8.7448 122.0308 54.6425 41.7500 176.3038 83 S 4.5951 8.5512 117.7167 58.5333 64.4546 173.5034 84 V 4.3795 8.8181 120.0446 61.2238 34.5858 173.9002 85 A 5.1509 8.8280 129.6566 50.7450 20.0607 174.9744 86 T 4.3599 8.4395 111.3570 62.6606 71.5931 175.1882 87 G 3.8484 7.9936 110.2266 45.4909 0.0000 173.5407 88 T 4.0083 8.9440 119.8928 64.5435 68.6525 174.6660 89 N 4.2798 8.6160 122.2777 54.3057 36.2566 174.2325 90 S 4.8717 7.5642 113.2181 57.6818 64.7308 173.8471 91 V 4.4971 8.5786 121.0308 61.0881 34.4017 174.1501 92 A 5.1021 8.6339 128.3977 50.2517 21.7922 175.0134 93 I 4.4171 9.1563 123.6472 60.5994 41.0534 176.1118 94 G 4.2606 9.0990 113.2384 43.8900 0.0000 170.8974 95 P 4.5499 0.0000 0.0000 63.9936 31.6427 176.6364 96 N 4.2249 8.8809 117.2104 53.7381 37.0557 174.1490 97 A 4.4269 7.6450 120.9293 51.9288 19.8070 177.5204 98 V 4.5735 9.1035 121.1613 61.4178 34.9579 174.2045 99 A 4.9195 9.2246 132.1414 50.3590 18.6026 175.9409 100 N 4.7445 8.4194 116.4533 52.6029 38.8542 176.6048 101 V 3.8917 7.4890 119.9909 61.9406 32.3536 175.1287 102 D 4.3767 8.5105 126.1454 55.7275 41.2058 175.3062 103 Y 3.7225 8.0286 117.7577 59.5397 36.2915 170.1800 104 S 5.1248 8.0729 113.2937 56.7366 67.9876 173.3778 105 V 4.9211 8.7690 119.4258 61.1789 34.9017 173.8399 106 A 4.9855 8.8694 128.9857 50.0596 21.3730 174.8472 107 I 4.7480 8.8696 122.8902 59.9696 41.5479 174.2410 108 G 4.0912 9.0413 117.0674 43.5384 0.0000 173.2630 109 S 4.4575 8.5680 116.1845 59.7233 62.9877 174.8628 110 G 3.8404 9.1382 113.2555 45.2500 0.0000 173.2057 111 A 4.3385 7.9401 122.5835 52.1158 19.4559 177.1947 112 T 5.3092 9.0055 111.0873 58.8699 72.4556 173.1482 113 T 4.7314 8.3523 110.8413 60.0649 71.3064 173.4414 114 S 4.7534 8.5808 119.1146 55.8836 66.7419 173.6059 115 A 4.0210 8.5458 124.2663 52.3197 18.5414 177.7617 116 A 4.0314 8.5239 124.6300 52.2552 19.0498 177.4170 117 V 4.2372 8.0566 121.3229 60.1649 32.2880 173.8962 118 P 4.3188 0.0000 0.0000 62.6677 31.4712 176.3560 119 V 4.3366 8.1873 118.3200 61.3557 33.7146 175.3623 120 A 4.5980 8.5688 130.0527 52.7753 20.6602 175.4947 121 S 4.0571 7.4903 107.6234 57.4615 65.8219 173.4767 122 A 4.7301 8.9737 121.4425 51.0673 22.5076 176.6947 123 S 4.4486 8.6603 116.0531 56.5430 63.8709 172.7803 *129 F 4.4762 8.2724 121.7792 57.1036 39.9499 174.9620 130 G 3.8613 8.0867 113.6263 44.3211 0.0000 171.1710 131 G 3.8232 8.3547 104.0284 46.5556 0.0000 174.2695 132 F 4.7036 7.7125 117.2876 56.7044 39.8097 176.2578 133 A 4.1979 8.6300 127.9497 52.9701 19.0539 176.7099 134 G 3.8963 8.5272 106.1319 46.8584 0.0000 174.9342 135 S 4.6569 8.3290 112.1229 58.2310 64.2026 173.2525 136 A 4.9122 7.4473 123.6232 49.3388 18.4569 173.4122 137 P 4.4278 0.0000 0.0000 62.0343 32.4680 177.8724 138 I 3.8515 8.4038 120.7260 62.8326 38.5234 175.5474 139 G 4.0490 6.9843 104.9063 45.8801 0.0000 171.9665 140 V 4.5447 7.7005 111.9318 59.5579 35.1686 175.3589 141 F 4.9287 8.8185 124.6926 56.7117 41.0587 173.5638 142 S 4.6442 8.8898 122.0631 56.4858 63.9749 174.6531 143 V 4.5964 7.6418 118.4983 59.5201 32.6316 176.7438 144 G 4.0402 7.3379 108.6249 46.1657 0.0000 172.5706 145 A 4.8495 7.8914 124.1326 49.7357 22.5520 173.9380 146 P 4.5540 0.0000 0.0000 63.6041 31.5931 177.6641 147 G 3.9524 8.9577 110.5257 45.7569 0.0000 173.1177 148 A 4.7263 8.0295 122.7415 51.1777 19.1659 175.8223 149 E 4.4875 7.9238 121.5703 56.3424 30.9304 176.7995 150 R 4.6757 8.1188 119.4704 54.2304 32.5994 175.7614 151 Q 4.1163 8.5466 123.3623 55.6775 29.5435 175.1438 152 I 4.1991 8.3273 127.0462 60.5634 37.9656 175.2348 153 T 4.6233 8.0838 114.7522 60.5238 71.4809 172.6468 154 N 4.1066 8.5195 116.0485 54.3841 35.7839 174.9575 155 V 3.8739 7.8104 117.4479 61.5571 32.2523 175.3438 156 A 4.1079 8.4021 130.1149 51.4429 18.9922 176.6524 157 A 4.1092 8.5448 123.4851 52.7153 18.8567 178.0444 158 G 4.1094 8.4872 110.6629 43.1662 0.0000 173.8321 159 R 3.8513 8.8077 120.4875 56.4429 30.3826 177.2203 160 I 4.2745 8.0236 123.8544 59.9482 37.2928 174.7137 161 S 4.5682 7.8382 118.1639 56.7836 65.4643 175.9280 162 A 4.0148 8.6022 123.7611 55.0518 18.1890 178.7557 163 A 4.2121 7.3185 117.5702 53.4998 19.0065 177.5878 164 S 4.2693 7.7991 112.1572 58.3728 62.6879 173.8326 165 T 4.5430 8.3300 117.1563 61.4335 68.9697 174.0319 166 D 4.4868 7.8277 121.3770 54.1489 41.5796 176.4985 167 A 4.1389 8.3353 125.0048 52.3380 19.1613 177.0346 168 V 4.4746 8.0210 113.5205 59.5673 34.1754 175.4722 169 N 4.8690 8.7543 120.4930 50.9948 39.5030 176.3259 170 G 3.6827 8.4777 104.7958 47.8232 0.0000 175.9557 171 S 4.2102 7.9852 116.1616 61.2584 63.0847 176.7463 172 Q 4.0108 8.1783 121.9648 58.7028 28.3144 178.1195 173 L 3.9617 7.8308 119.8769 58.0655 42.3816 177.7995 174 Y 4.1202 8.4492 119.7274 60.7509 38.6326 178.0701 175 A 4.0149 8.2166 121.8389 55.3445 18.3068 179.4591 176 T 3.9888 7.7362 106.1299 63.5787 69.0749 175.5921 177 N 4.7493 7.3162 117.3644 53.0310 39.1572 174.7924 178 S 4.1492 7.4279 122.7954 58.6260 63.0341 173.9564 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 5 S 8.19 4.48 0.00 4.02 4.19 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 6 T 7.86 3.67 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 7 S 8.81 4.12 0.00 3.86 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 8 I 7.72 3.70 2.02 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 1.64 0.89 0.92 0.00 0.00 9 S 8.28 4.13 0.00 4.02 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.34 4.08 0.00 3.94 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 11 I 7.97 3.69 1.88 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 1.52 0.70 0.92 0.00 0.00 12 T 7.98 3.88 4.39 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 1.24 0.00 0.00 13 T 8.03 3.89 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 14 N 8.44 4.38 0.00 2.87 2.85 0.00 0.00 7.09 7.91 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 15 T 8.33 3.83 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 1.23 0.00 0.00 16 T 8.02 3.93 4.45 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 1.33 0.00 0.00 17 N 8.06 4.30 0.00 2.91 2.83 0.00 0.00 6.67 6.32 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 18 L 8.12 3.91 0.00 1.66 1.72 0.86 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 19 G 7.64 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 N 7.98 4.38 0.00 2.74 2.88 0.00 0.00 6.86 7.15 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 21 S 8.21 4.15 0.00 4.02 4.08 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 22 T 8.07 3.82 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 1.21 0.00 0.00 23 A 8.12 4.03 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 24 A 8.04 3.93 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.91 4.10 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 26 L 8.15 4.19 0.00 1.86 1.88 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 27 G 9.15 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 G 9.67 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.49 3.80 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 0.00 0.00 0.00 30 A 7.93 4.43 1.30 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 0.00 0.00 0.00 31 T 8.84 4.76 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 1.25 0.00 0.00 32 Y 8.57 5.11 0.00 3.20 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 7.88 4.72 0.00 2.59 2.27 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 34 P 0.00 4.00 0.00 2.06 2.19 0.00 3.61 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 2.04 2.21 0.00 35 A 8.15 4.13 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 36 T 7.55 4.36 4.19 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 1.21 0.00 0.00 37 G 8.24 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 38 A 7.60 4.32 1.22 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 0.00 0.00 39 I 8.37 4.90 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.85 0.96 0.00 0.00 40 S 9.13 4.38 0.00 3.85 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 41 A 8.48 4.27 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 42 P 0.00 4.39 0.00 0.82 2.02 0.00 3.55 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.92 0.00 43 S 8.47 4.58 0.00 3.58 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 44 Y 8.65 4.92 0.00 2.88 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.72 4.86 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 0.87 0.00 0.00 46 T 8.76 4.83 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 1.32 0.00 0.00 47 Y 8.55 4.69 0.00 2.91 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 N 8.74 4.60 0.00 2.93 2.75 0.00 0.00 7.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.31 4.05 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 50 N 8.04 4.79 0.00 2.80 2.86 0.00 0.00 6.22 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.49 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 0.00 0.00 0.00 52 T 7.61 4.77 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 1.23 0.00 0.00 53 T 8.28 4.90 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 0.63 0.00 0.00 54 A 8.76 4.78 1.19 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 0.00 0.00 55 T 8.43 4.81 4.21 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 1.17 0.00 0.00 56 N 9.31 5.04 0.00 2.85 2.82 0.00 0.00 6.19 6.74 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 57 T 8.82 5.14 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 1.16 0.00 0.00 58 S 7.54 4.81 0.00 4.06 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 59 V 8.61 3.65 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 0.94 0.00 0.00 1.03 0.00 0.00 60 G 8.18 3.63 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 0.00 0.00 0.00 61 A 8.23 4.01 1.41 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 0.00 0.00 0.00 62 A 7.92 3.97 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 7.88 3.62 1.98 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.76 0.90 0.00 0.00 64 D 8.31 4.38 0.00 2.83 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 65 N 8.40 4.39 0.00 3.00 2.90 0.00 0.00 7.03 6.93 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 66 I 7.88 3.99 2.04 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.15 0.91 0.00 0.00 67 N 7.94 4.37 0.00 2.72 2.88 0.00 0.00 7.08 7.38 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 68 A 8.32 4.20 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.69 4.80 0.00 2.84 2.86 0.00 0.00 7.34 7.35 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 70 G 8.45 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 71 I 7.71 4.48 1.87 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 1.23 0.91 0.92 0.00 0.00 72 K 8.07 3.44 0.00 0.79 1.09 0.00 0.83 0.00 0.00 0.96 0.00 0.00 2.24 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.30 0.49 7.81 73 Y 8.52 3.77 0.00 3.00 2.65 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 74 F 8.17 4.63 0.00 2.97 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 H 8.63 5.18 0.00 3.13 3.18 0.00 5.64 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 76 A 8.68 4.62 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 77 N 8.56 4.64 0.00 2.69 2.79 0.00 0.00 6.95 7.63 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 78 S 7.79 4.59 0.00 3.82 3.67 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 79 T 8.32 4.53 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 80 D 8.10 4.66 0.00 2.69 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 81 P 0.00 4.45 0.00 2.24 1.97 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 82 D 8.74 4.87 0.00 2.68 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 83 S 8.55 4.60 0.00 3.90 4.09 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 84 V 8.82 4.38 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 0.96 0.00 0.00 0.92 0.00 0.00 85 A 8.83 5.15 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 86 T 8.44 4.36 4.21 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 1.19 0.00 0.00 87 G 7.99 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 88 T 8.94 4.01 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 1.00 0.00 0.00 89 N 8.62 4.28 0.00 2.66 2.96 0.00 0.00 7.12 7.57 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 90 S 7.56 4.87 0.00 3.86 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 V 8.58 4.50 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 1.05 0.00 0.00 0.95 0.00 0.00 92 A 8.63 5.10 1.17 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 93 I 9.16 4.42 1.87 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 1.20 0.79 0.96 0.00 0.00 94 G 9.10 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 95 P 0.00 4.55 0.00 2.23 2.20 0.00 3.84 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 2.07 2.00 0.00 96 N 8.88 4.22 0.00 2.91 2.96 0.00 0.00 6.99 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 97 A 7.65 4.43 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 9.10 4.57 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 0.93 0.00 0.00 0.98 0.00 0.00 99 A 9.22 4.92 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 0.00 100 N 8.42 4.74 0.00 2.81 2.92 0.00 0.00 6.35 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 0.00 101 V 7.49 3.89 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 0.98 0.00 0.00 0.93 0.00 0.00 102 D 8.51 4.38 0.00 2.74 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 0.00 0.00 0.00 0.00 103 Y 8.03 3.72 0.00 3.27 3.03 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 T 9.01 5.31 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 1.25 0.00 0.00 113 T 8.35 4.73 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 1.17 0.00 0.00 114 S 8.58 4.75 0.00 3.84 3.77 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 0.00 115 A 8.55 4.02 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 0.00 116 A 8.52 4.03 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 0.00 117 V 8.06 4.24 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 0.90 0.00 0.00 0.95 0.00 0.00 118 P 0.00 4.32 0.00 2.11 2.16 0.00 3.70 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 119 V 8.19 4.34 2.22 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 1.28 0.00 0.00 1.07 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.53 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 0.00 0.00 0.00 135 S 8.33 4.66 0.00 4.07 4.36 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 0.00 136 A 7.45 4.91 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 0.00 137 P 0.00 4.43 0.00 2.23 2.10 0.00 3.85 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 138 I 8.40 3.85 1.83 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.62 0.95 0.00 0.00 139 G 6.98 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 0.00 140 V 7.70 4.54 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 0.76 0.00 0.00 1.00 0.00 0.00 141 F 8.82 4.93 0.00 3.03 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 0.00 142 S 8.89 4.64 0.00 3.82 3.68 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 0.00 143 V 7.64 4.60 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 1.14 0.00 0.00 0.98 0.00 0.00 144 G 7.34 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 0.00 0.00 0.00 145 A 7.89 4.85 1.27 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 0.00 0.00 146 P 0.00 4.55 0.00 2.05 2.03 0.00 3.79 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 147 G 8.96 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 0.00 0.00 0.00 148 A 8.03 4.73 1.22 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 0.00 0.00 149 E 7.92 4.49 0.00 2.09 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 2.40 2.39 0.00 150 R 8.12 4.68 0.00 1.89 1.83 0.00 3.38 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 151 Q 8.55 4.12 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.87 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 152 I 8.33 4.20 1.89 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.71 0.93 0.00 0.00 153 T 8.08 4.62 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 154 N 8.52 4.11 0.00 2.89 2.95 0.00 0.00 6.87 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 0.00 155 V 7.81 3.87 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 0.76 0.00 0.00 0.92 0.00 0.00 156 A 8.40 4.11 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 0.00 157 A 8.54 4.11 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 0.00 158 G 8.49 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 R 8.81 3.85 0.00 1.84 1.88 0.00 3.12 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 160 I 8.02 4.27 1.86 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 1.44 0.73 0.89 0.00 0.00 161 S 7.84 4.57 0.00 3.96 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 A 8.60 4.01 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 A 7.32 4.21 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 0.00 164 S 7.80 4.27 0.00 3.84 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 0.00 165 T 8.33 4.54 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 0.00 166 D 7.83 4.49 0.00 2.68 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 A 8.34 4.14 1.22 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 0.00 0.00 168 V 8.02 4.47 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 0.75 0.00 0.00 0.88 0.00 0.00 169 N 8.75 4.87 0.00 2.93 2.93 0.00 0.00 6.96 6.56 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 0.00 170 G 8.48 3.68 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 0.00 0.00 0.00 171 S 7.99 4.21 0.00 4.06 4.12 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 0.00 172 Q 8.18 4.01 0.00 2.30 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 173 L 7.83 3.96 0.00 1.61 1.85 0.88 0.84 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 0.00 174 Y 8.45 4.12 0.00 3.19 3.14 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 0.00 175 A 8.22 4.01 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 0.00 176 T 7.74 3.99 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 1.23 0.00 0.00 177 N 7.32 4.75 0.00 2.50 2.75 0.00 0.00 6.95 8.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 S 7.43 4.15 0.00 3.77 3.61 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 * Residues marked with a * may have inaccurate shift predictions.