NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 I 4.2923 7.8827 121.4472 61.1946 38.7621 173.8069 17 V 4.3970 8.6089 125.6634 61.6456 33.0952 174.3505 18 G 3.7155 8.4018 113.4715 46.2044 0.0000 173.3433 19 G 4.1293 7.7254 109.6386 44.1439 0.0000 172.3294 20 Y 4.9517 7.8681 116.7225 55.1011 42.2611 174.7825 21 T 4.3564 8.5925 116.7010 63.7668 68.3424 175.3504 22 C 4.2676 8.4993 125.4408 60.1163 35.1147 175.4259 23 G 4.0590 8.6576 106.0266 44.4400 0.0000 172.6726 24 A 4.1053 8.6124 125.5082 53.7660 18.4964 176.8868 25 N 4.2665 8.8677 119.6452 54.6572 36.0749 175.3542 26 T 4.2032 7.6471 107.1585 62.6489 70.0614 174.9106 27 V 4.1367 7.0442 121.5667 60.4191 31.3560 173.8873 28 P 4.5034 0.0000 0.0000 64.0317 31.9019 177.8426 29 Y 5.0239 6.6207 115.8628 56.1370 38.7769 174.6893 30 Q 4.6261 7.4793 123.4783 56.3844 29.6058 175.4481 31 V 4.8677 8.8460 118.5397 59.6703 36.3988 174.1460 32 S 4.8565 8.7909 116.9449 56.5874 65.0958 172.5911 33 L 4.6090 8.3513 127.0691 53.0851 43.3661 174.9507 34 N 5.9334 9.0376 122.6750 50.0187 42.1729 174.8525 *37 S 4.2523 8.3969 119.6436 58.3806 64.1659 174.5776 38 G 4.0503 9.8896 109.2359 46.3989 0.0000 172.6475 39 Y 4.5507 6.8194 115.5814 56.2985 40.2048 172.5276 40 H 4.6474 8.7444 121.0450 55.5072 30.3191 174.6112 41 F 4.8988 7.6291 120.2187 56.7549 39.5188 173.7567 42 C 4.6992 6.5914 116.9416 56.4078 44.7601 172.9229 43 G 4.3686 8.4579 108.8979 45.5462 0.0000 172.0844 44 G 4.5400 7.9810 105.6899 46.4388 0.0000 172.6310 45 S 5.5093 8.7585 115.2718 56.4621 66.9991 173.6351 46 L 4.6938 9.2928 127.6201 54.6909 42.5276 177.0121 47 I 4.5302 8.4226 119.5174 60.7364 38.5585 174.3407 48 N 4.6365 7.4637 117.7284 52.4321 39.4645 174.9323 49 S 4.0903 8.5271 111.6557 60.3562 63.3875 174.6396 50 Q 4.5682 9.0866 121.4133 55.3423 30.7962 174.3507 51 W 5.6048 8.3222 117.0676 55.5355 33.6036 174.3213 52 V 5.0919 9.0710 122.6443 61.1281 34.8676 174.1775 53 V 4.9441 8.8013 125.1803 61.5851 34.1398 174.6311 54 S 5.1973 9.1795 120.8468 57.6136 66.2562 171.9799 55 A 4.6183 8.4818 120.7898 50.6581 20.3454 178.4691 56 A 3.8284 8.2676 124.3585 55.3002 18.4723 179.0690 57 H 4.5338 8.2211 108.8288 56.9816 28.6544 175.2167 58 C 4.7376 7.7856 117.1171 57.0813 40.5728 173.3339 59 Y 4.0862 7.6948 122.5673 57.6407 38.7149 175.0396 60 K 3.8618 6.7185 124.1057 56.4415 34.8629 173.9892 61 S 4.4038 8.1020 113.7000 57.5200 65.3291 173.1163 62 G 3.5973 8.3492 105.8268 46.6549 0.0000 173.7441 63 I 4.5904 7.3267 118.8617 59.4203 40.0088 175.8119 64 Q 4.8411 8.8825 128.0177 54.2047 31.7780 174.0721 65 V 4.4744 8.9942 126.8232 61.6418 33.6548 174.5488 65A R 5.0058 8.8662 127.1266 54.6452 32.5328 175.1457 66 L 4.7150 9.0167 124.6925 52.7600 44.7474 177.1648 *69 G 3.9173 8.2089 105.6166 46.3499 0.0000 172.8669 70 E 4.6961 8.4440 118.6973 55.1488 30.6273 174.1922 71 D 4.7364 7.7312 116.9810 55.3028 44.3313 174.0935 72 N 4.8888 8.6385 119.9406 53.0055 39.2210 176.0124 73 I 4.0693 8.3636 119.4997 61.8887 37.8510 176.1518 74 N 4.7985 8.7406 118.0674 53.0715 39.6126 174.7487 75 V 4.3403 7.3632 116.6203 60.6777 34.2195 174.8280 76 V 4.1773 8.3874 126.5322 62.2989 31.4778 175.1798 77 E 4.4183 9.0525 126.7452 55.2593 30.8836 176.4624 78 G 3.9933 8.5998 106.0396 45.7078 0.0000 174.0437 79 N 4.6293 8.9897 116.5951 52.7032 36.7678 174.6029 80 E 5.0787 7.5135 116.6225 55.9301 30.6973 176.3767 81 Q 4.4496 8.6007 120.3109 54.3514 33.0895 173.7599 82 F 5.4982 8.9499 122.7956 55.9713 41.0383 175.0114 83 I 4.7292 8.8395 124.5910 59.5195 41.1694 175.3027 84 S 4.8429 8.5291 120.6264 57.5919 64.7903 173.2541 85 A 4.4055 8.2273 124.9168 52.2203 18.3245 177.6759 86 S 4.4668 9.0427 117.5398 60.3117 63.5324 174.3105 87 K 4.6696 7.4853 115.9222 55.9305 35.5605 174.7509 88 S 5.2243 8.7868 117.0587 56.9477 66.2649 173.6445 89 I 4.4715 9.1712 125.8423 59.5705 38.8621 175.0475 90 V 4.2696 8.3173 127.3628 61.9759 32.6979 175.3593 91 H 3.9318 8.4895 126.7466 55.7541 30.0517 174.5634 92 P 4.2561 0.0000 0.0000 65.2799 31.3257 177.1589 93 S 4.7085 7.8589 112.0084 58.1094 63.0225 173.3630 94 Y 4.3373 8.0976 123.2244 57.7071 39.0599 174.5424 95 N 4.6112 8.1257 124.9949 51.4664 40.3928 175.0726 96 S 3.9420 7.8524 119.7857 59.3519 63.7105 174.9857 97 N 4.4170 8.5986 119.3060 55.1921 38.6640 176.0551 98 T 4.0257 7.8156 106.0417 60.8546 70.1450 175.0204 99 L 3.8656 7.8966 120.3882 55.3723 39.6935 173.8450 100 N 4.4978 7.8080 117.2751 54.6029 39.5344 174.5231 101 N 4.8248 8.6752 119.8857 54.4682 35.7302 175.4617 102 D 4.6753 7.9401 117.6056 53.0106 39.4495 174.7855 103 I 4.8033 7.1271 120.9243 59.2831 42.4913 173.0357 104 M 5.2982 9.2869 126.6245 54.1809 36.3080 173.3178 105 L 5.4360 9.0684 124.2032 53.1568 45.1098 175.4035 106 I 5.0268 9.1139 123.3485 59.4647 40.6423 174.3544 107 K 3.7600 8.8531 128.6163 54.6604 33.7802 175.3480 108 L 4.6580 7.9122 126.8515 53.5400 42.5851 176.8026 109 K 4.1390 8.9093 124.9015 59.0635 32.4630 176.9178 110 S 4.6756 7.7232 110.6427 55.8494 66.2547 173.0018 111 A 4.4591 8.3017 122.2039 51.8812 18.8929 177.2154 112 A 4.4618 8.7629 122.4626 51.4937 20.2398 177.5119 113 S 4.5503 9.0977 116.8788 57.3907 63.5232 174.4746 114 L 4.6450 8.5090 125.5691 54.1483 43.0042 176.6089 115 N 4.7572 8.7567 118.8644 52.6406 39.3937 175.1199 116 S 4.2320 8.7475 110.8722 61.0945 63.8122 175.1731 117 R 4.2290 8.8554 119.9212 56.6610 30.6644 175.9625 118 V 4.4323 7.7144 117.5816 60.9194 33.7743 173.7733 119 A 5.1399 8.6613 128.1360 50.5950 23.0361 175.1881 120 S 5.1573 8.6583 114.3089 57.5685 65.1341 172.9559 121 I 4.5013 8.0999 120.2036 59.1552 40.0416 175.2700 122 S 4.4742 8.3220 122.8183 57.8398 63.8264 174.0415 123 L 4.2476 8.1083 123.4008 53.5204 42.3747 175.2497 124 P 4.5714 0.0000 0.0000 62.8542 32.5512 176.1085 125 T 4.2302 8.1969 108.0704 62.1488 70.2384 174.5024 *127 S 4.8537 7.5792 114.7226 58.1254 63.9839 173.9845 128 C 4.4554 8.4318 118.2462 56.6619 40.8056 173.1659 129 A 4.5617 7.9447 123.8195 51.1511 20.3188 176.9869 130 S 4.4422 8.0033 114.8624 56.9986 64.8640 173.7529 *132 A 4.1422 8.1763 124.4826 53.3158 19.2971 176.6631 133 G 4.0626 9.0073 109.5013 45.5734 0.0000 174.7267 134 T 3.9134 7.7319 116.7625 63.9679 69.4964 173.1977 135 Q 4.7806 8.5355 126.8041 55.3254 30.5483 175.1259 136 C 5.2593 9.3822 122.6099 55.1891 46.6343 172.2629 137 L 5.2454 8.8991 122.5888 53.5247 44.0210 175.0215 138 I 5.4152 9.1307 127.2147 58.7420 40.1259 174.8240 139 S 4.9453 9.0469 119.6196 56.2128 66.7131 173.0792 140 G 3.8074 7.4095 109.1237 46.0063 0.0000 172.7170 141 W 4.6539 8.4042 117.0897 56.2846 29.3008 177.0866 142 G 4.1026 8.0560 108.9412 44.2135 0.0000 173.4800 143 N 3.8280 8.6657 118.2759 54.4255 38.9195 174.4648 144 T 5.1230 8.0620 112.7335 60.4309 69.4818 174.1376 145 K 4.6369 7.8134 121.2964 54.8148 34.8483 176.2621 146 S 4.3826 8.6500 116.9819 59.9227 63.7067 174.3844 147 S 4.4559 8.2272 116.6161 55.0965 62.7183 172.3216 148 G 4.0411 7.6461 110.2777 43.1412 0.0000 170.2825 149 T 4.5908 8.1330 109.7907 59.7847 70.9714 173.8138 150 S 4.4911 9.4508 121.6039 56.8533 65.5163 171.8291 151 Y 5.0200 8.7524 125.3833 55.6226 39.5184 174.4749 152 P 4.7092 0.0000 0.0000 62.4449 33.0524 175.5472 153 D 4.6645 8.7078 117.3679 55.7121 41.7294 177.2440 154 V 5.6844 7.3935 109.8093 58.4347 34.5869 175.8244 155 L 3.1835 8.4039 123.3456 55.1616 42.8920 176.0303 156 K 4.8743 8.1485 124.4938 54.8022 35.6664 174.4497 157 C 5.2746 8.5442 119.1717 55.2486 42.8845 172.9332 158 L 5.0112 8.6342 122.1590 53.7787 45.6676 174.4144 159 K 5.1735 8.9055 124.8222 54.9575 33.9045 175.5544 160 A 4.9089 9.5586 125.7273 49.7458 23.2209 173.4228 161 P 5.0745 0.0000 0.0000 61.7769 33.9825 175.0900 162 I 4.4469 8.3188 122.4106 61.3565 38.3122 175.9070 163 L 4.8444 8.6871 127.0815 53.2265 43.6736 176.5698 164 S 4.4631 8.3590 114.3408 57.8854 64.1832 175.1326 165 D 4.4762 8.6140 121.4562 57.3700 40.4445 179.2777 166 S 4.1667 7.9946 114.6793 61.5124 63.2274 176.6163 167 S 4.0980 7.8937 118.9723 61.2010 62.5852 175.6965 168 C 4.2801 8.2247 121.1661 59.9374 41.7165 176.0036 169 K 3.9696 8.2875 119.7665 59.3774 31.3549 179.4982 170 S 4.3091 8.0618 114.6057 60.9080 62.8160 176.0248 171 A 4.0245 7.7501 123.1563 53.5933 19.8524 177.3967 172 Y 4.8937 7.8471 113.7702 55.3334 38.1412 173.7528 173 P 4.5946 0.0000 0.0000 63.7082 31.9541 177.8299 174 G 3.9736 9.0332 109.3899 46.0296 0.0000 173.6009 175 Q 4.5679 8.2766 116.7459 55.4300 29.7547 175.1529 176 I 4.5155 7.8332 119.8109 59.7577 38.9446 175.2925 177 T 4.5884 8.1938 115.2481 59.6175 71.0255 174.9762 178 S 4.4400 8.5585 114.1675 59.9085 63.1320 174.2153 179 N 4.9925 8.2113 118.3251 53.3861 38.6104 173.7184 180 M 6.0607 8.0858 116.6264 52.7988 36.2125 174.4962 181 F 5.0719 8.1962 113.8229 56.1310 41.7729 173.5866 182 C 5.7989 9.2938 116.1328 54.9488 42.7080 172.7052 183 A 5.0476 8.8029 121.6270 50.9583 22.4451 176.9866 184 G 3.9286 6.8113 107.2396 44.5794 0.0000 171.5748 184A Y 4.6477 8.2704 117.9255 56.0782 40.7226 176.5739 185 L 4.2619 8.6059 124.9834 56.7847 42.1009 178.6325 186 E 4.1893 8.2012 115.6452 57.1382 30.0765 177.0802 187 G 3.8361 7.5081 105.9125 45.0914 0.0000 172.1250 188 G 4.1264 9.5574 105.5559 44.7009 0.0000 173.7083 188A K 4.9878 7.2333 116.8858 54.6493 35.8484 175.3195 189 D 4.5957 8.5413 122.9547 54.1378 45.7140 175.0056 190 S 4.9532 8.8036 116.5241 57.8055 65.4089 173.1193 191 C 4.8216 9.4847 119.3679 55.0965 43.5751 172.4306 192 Q 4.4653 8.5743 118.2627 57.6118 28.3099 177.0187 193 G 4.5363 9.1709 109.2810 45.8555 0.0000 174.0955 194 D 4.7109 8.4915 118.9179 55.3682 41.8910 176.7222 195 S 4.4175 8.0007 114.6178 60.0928 63.5691 175.5605 196 G 3.9266 8.8299 112.3801 46.4389 0.0000 173.7803 197 G 4.5237 7.8812 107.5514 44.7702 0.0000 171.0712 198 P 5.2039 0.0000 0.0000 62.1725 33.6280 175.7477 199 V 4.5816 8.4747 120.4636 61.4813 34.3354 173.9593 200 V 4.7811 8.6674 128.7260 61.2402 34.0727 173.6937 201 C 5.0810 8.8365 124.7420 55.5913 43.8074 174.6167 202 S 3.6729 9.7243 120.7273 59.7330 60.0949 173.0623 203 G 3.9243 8.3571 103.2216 45.9256 0.0000 173.7529 204 K 4.6707 7.5838 117.5849 52.8818 35.3347 175.5382 *209 L 4.3314 8.2881 122.6801 55.4593 42.2432 175.8440 210 Q 4.5217 8.9374 126.0481 56.6290 31.0235 175.8147 211 G 5.2885 8.0426 104.4150 45.6171 0.0000 171.3608 212 I 5.2294 8.1397 119.2829 58.9096 41.1660 175.4576 213 V 3.6791 8.9714 127.6150 63.7574 31.8335 174.1065 214 S 4.8242 8.4770 120.8469 58.6654 64.4474 174.7025 215 W 5.1107 7.6028 114.2110 56.5079 31.9987 172.5643 216 G 3.9911 8.2750 106.0865 47.0296 0.0000 173.2220 217 S 4.7239 8.2937 115.8410 56.7215 63.7633 173.4864 *219 G 4.1972 7.9991 115.9439 45.5475 0.0000 170.7527 220 C 4.9614 8.2024 115.8928 56.5722 45.5103 173.8090 221 A 4.0066 9.1342 126.2888 53.1890 16.5833 176.9952 221A Q 4.6159 7.2917 117.0951 56.0177 30.0312 175.9288 222 K 4.0990 8.4230 121.6476 57.9188 32.7057 176.2579 223 N 4.2389 9.1763 121.4999 53.9825 37.0548 175.2427 224 K 4.3185 7.4487 117.9112 53.4735 32.1038 173.6774 225 P 4.6015 0.0000 0.0000 62.3012 33.0698 176.9907 226 G 3.7808 8.4468 106.0062 45.7549 0.0000 172.8331 227 V 4.4610 7.3149 120.8482 60.7259 34.1967 174.1474 228 Y 4.8386 8.2466 124.1196 56.1199 42.2268 174.6656 229 T 4.6177 8.4757 118.6157 63.1525 70.4038 174.7376 230 K 5.0395 9.2877 128.1964 55.4089 31.5308 177.2516 231 V 3.9278 8.8034 126.8182 65.9181 31.4016 174.8962 232 C 4.3519 8.3813 112.5566 58.3671 41.3517 174.9367 233 N 4.2055 8.0153 117.1574 54.5775 38.5715 175.6373 234 Y 4.7950 8.0177 117.3840 57.5175 38.7261 177.3365 235 V 3.6968 7.8943 121.2217 66.4234 31.5157 178.0298 236 S 4.1523 8.1120 114.3384 60.9884 62.6461 176.3088 237 W 4.1205 8.2372 130.7405 60.5015 30.5671 177.8284 238 I 3.1795 8.4070 120.1057 64.3027 36.5897 178.5290 239 K 3.7547 8.0657 119.1959 59.6070 31.6367 179.5212 240 Q 3.8901 8.0003 117.4717 58.9709 29.0211 178.4819 241 T 3.7033 7.5210 116.9292 66.6259 68.2591 176.7614 242 I 2.7191 7.1705 121.4172 63.9643 36.7501 178.3933 243 A 4.0634 7.6393 120.5820 53.9040 18.1970 178.6990 244 S 4.6636 7.3917 110.3853 58.2283 63.5524 174.0398 245 N 4.6837 7.9375 125.5476 53.8798 39.3133 174.0215 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 16 I 7.88 4.29 1.78 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 1.35 0.54 0.88 0.00 0.00 17 V 8.61 4.40 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 1.02 0.00 0.00 0.94 0.00 0.00 18 G 8.40 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 0.00 0.00 0.00 19 G 7.73 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 20 Y 7.87 4.95 0.00 2.90 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 21 T 8.59 4.36 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 22 C 8.50 4.27 0.00 2.77 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 23 G 8.66 4.06 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 0.00 0.00 0.00 24 A 8.61 4.11 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 25 N 8.87 4.27 0.00 2.88 2.92 0.00 0.00 7.35 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 26 T 7.65 4.20 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 27 V 7.04 4.14 1.74 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 0.35 0.00 0.00 0.77 0.00 0.00 28 P 0.00 4.50 0.00 2.38 2.43 0.00 3.86 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.97 0.00 29 Y 6.62 5.02 0.00 3.18 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.48 4.63 0.00 1.76 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.50 0.00 0.00 0.00 0.00 0.00 1.88 2.48 0.00 31 V 8.85 4.87 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 0.73 0.00 0.00 0.99 0.00 0.00 32 S 8.79 4.86 0.00 3.08 3.31 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 33 L 8.35 4.61 0.00 0.50 0.81 0.80 0.45 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 34 N 9.04 5.93 0.00 2.38 2.43 0.00 0.00 6.53 7.03 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 *37 S 8.40 4.25 0.00 3.85 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 38 G 9.89 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 39 Y 6.82 4.55 0.00 3.06 2.94 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 40 H 8.74 4.65 0.00 2.85 3.18 0.00 5.86 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 41 F 7.63 4.90 0.00 3.13 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 42 C 6.59 4.70 0.00 2.34 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.46 4.37 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 0.00 44 G 7.98 4.54 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 0.00 0.00 0.00 45 S 8.76 5.51 0.00 3.82 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 9.29 4.69 0.00 1.85 1.68 1.08 0.85 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 47 I 8.42 4.53 1.89 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 1.54 0.89 0.95 0.00 0.00 48 N 7.46 4.64 0.00 2.99 3.00 0.00 0.00 6.12 7.66 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 49 S 8.53 4.09 0.00 4.05 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 0.00 50 Q 9.09 4.57 0.00 2.10 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.92 0.00 0.00 0.00 0.00 0.00 2.13 2.21 0.00 51 W 8.32 5.60 0.00 3.32 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 52 V 9.07 5.09 2.15 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 1.09 0.00 0.00 0.99 0.00 0.00 53 V 8.80 4.94 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 1.00 0.00 0.00 1.01 0.00 0.00 54 S 9.18 5.20 0.00 3.87 3.70 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 55 A 8.48 4.62 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 56 A 8.27 3.83 0.32 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 57 H 8.22 4.53 0.00 3.37 3.56 0.00 5.55 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 C 7.79 4.74 0.00 3.21 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 59 Y 7.69 4.09 0.00 3.01 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 60 K 6.72 3.86 0.00 1.53 1.38 0.00 0.73 0.00 0.00 1.31 0.00 0.00 2.50 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.69 0.98 7.81 61 S 8.10 4.40 0.00 3.92 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 G 8.35 3.60 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 0.00 0.00 0.00 63 I 7.33 4.59 1.84 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 1.38 0.83 0.91 0.00 0.00 64 Q 8.88 4.84 0.00 1.98 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.88 0.00 0.00 0.00 0.00 0.00 2.07 2.20 0.00 65 V 8.99 4.47 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 0.94 0.00 0.00 0.89 0.00 0.00 65A R 8.87 5.01 0.00 1.49 1.65 0.00 2.63 0.00 0.00 2.40 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 1.10 0.00 66 L 9.02 4.72 0.00 1.64 1.62 0.96 0.97 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 *69 G 8.21 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 0.00 0.00 0.00 70 E 8.44 4.70 0.00 2.12 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.07 0.00 71 D 7.73 4.74 0.00 2.72 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 72 N 8.64 4.89 0.00 2.88 2.79 0.00 0.00 7.22 7.72 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 73 I 8.36 4.07 1.43 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.53 -0.51 0.00 0.00 74 N 8.74 4.80 0.00 2.80 2.87 0.00 0.00 6.62 7.79 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 75 V 7.36 4.34 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 0.73 0.00 0.00 0.95 0.00 0.00 76 V 8.39 4.18 2.05 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 0.75 0.00 0.00 0.92 0.00 0.00 77 E 9.05 4.42 0.00 1.99 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 2.26 2.41 0.00 78 G 8.60 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 79 N 8.99 4.63 0.00 2.91 3.16 0.00 0.00 6.91 7.67 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 80 E 7.51 5.08 0.00 1.55 1.75 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 2.70 2.30 0.00 81 Q 8.60 4.45 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.87 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 82 F 8.95 5.50 0.00 2.73 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 83 I 8.84 4.73 1.87 0.00 0.00 0.87 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 0.94 0.95 0.00 0.00 84 S 8.53 4.84 0.00 3.75 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 85 A 8.23 4.41 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 S 9.04 4.47 0.00 3.80 3.74 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 87 K 7.49 4.67 0.00 1.87 1.84 0.00 1.55 0.00 0.00 1.91 0.00 0.00 2.84 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.29 1.35 7.81 88 S 8.79 5.22 0.00 4.11 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 89 I 9.17 4.47 2.07 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.22 1.09 0.00 0.00 90 V 8.32 4.27 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 0.64 0.00 0.00 0.78 0.00 0.00 91 H 8.49 3.93 0.00 2.71 3.10 0.00 5.65 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 92 P 0.00 4.26 0.00 2.06 2.14 0.00 3.20 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 2.13 2.22 0.00 93 S 7.86 4.71 0.00 3.93 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 94 Y 8.10 4.34 0.00 2.92 2.90 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 95 N 8.13 4.61 0.00 2.60 2.44 0.00 0.00 6.63 7.18 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 96 S 7.85 3.94 0.00 3.94 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 97 N 8.60 4.42 0.00 2.70 2.79 0.00 0.00 6.78 7.41 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 98 T 7.82 4.03 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 1.16 0.00 0.00 99 L 7.90 3.87 0.00 1.62 1.97 0.68 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 100 N 7.81 4.50 0.00 2.84 2.65 0.00 0.00 7.29 5.99 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 0.00 101 N 8.68 4.82 0.00 3.07 2.65 0.00 0.00 7.23 8.25 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 0.00 102 D 7.94 4.68 0.00 3.09 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 0.00 103 I 7.13 4.80 1.46 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 1.31 1.21 0.15 0.00 0.00 104 M 9.29 5.30 0.00 2.22 1.83 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.64 0.00 105 L 9.07 5.44 0.00 1.83 1.85 0.26 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 106 I 9.11 5.03 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 1.20 0.82 0.89 0.00 0.00 107 K 8.85 3.76 0.00 0.79 1.11 0.00 1.26 0.00 0.00 1.33 0.00 0.00 2.58 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.69 0.21 7.81 108 L 7.91 4.66 0.00 1.52 1.54 0.97 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.91 4.14 0.00 1.80 1.80 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.36 7.81 110 S 7.72 4.68 0.00 3.93 3.75 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 0.00 111 A 8.30 4.46 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 0.00 112 A 8.76 4.46 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 0.00 113 S 9.10 4.55 0.00 3.74 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 L 8.51 4.65 0.00 1.66 1.62 0.96 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 115 N 8.76 4.76 0.00 2.88 2.90 0.00 0.00 6.72 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 0.00 116 S 8.75 4.23 0.00 4.02 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 0.00 117 R 8.86 4.23 0.00 2.04 2.02 0.00 3.12 0.00 0.00 3.10 7.38 0.00 0.00 0.00 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1.20 0.00 0.00 *127 S 7.58 4.85 0.00 4.00 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 0.00 128 C 8.43 4.46 0.00 2.94 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.94 4.56 1.04 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 0.00 130 S 8.00 4.44 0.00 3.83 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 *132 A 8.18 4.14 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 0.00 133 G 9.01 4.06 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 0.00 0.00 0.00 134 T 7.73 3.91 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 1.14 0.00 0.00 135 Q 8.54 4.78 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.89 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 136 C 9.38 5.26 0.00 2.76 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 0.00 137 L 8.90 5.25 0.00 1.77 1.57 1.04 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 138 I 9.13 5.42 1.87 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 1.54 0.98 0.00 0.00 139 S 9.05 4.95 0.00 3.48 3.57 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 0.00 140 G 7.41 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 0.00 141 W 8.40 4.65 0.00 3.19 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 G 8.06 4.10 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 0.00 143 N 8.67 3.83 0.00 2.28 2.62 0.00 0.00 7.00 7.97 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 0.00 144 T 8.06 5.12 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 1.26 0.00 0.00 145 K 7.81 4.64 0.00 1.81 1.69 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.30 1.33 7.81 146 S 8.65 4.38 0.00 3.99 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 0.00 147 S 8.23 4.46 0.00 3.83 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 G 7.65 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 0.00 149 T 8.13 4.59 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 1.30 0.00 0.00 150 S 9.45 4.49 0.00 3.77 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 0.00 151 Y 8.75 5.02 0.00 2.94 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 0.00 152 P 0.00 4.71 0.00 2.45 2.11 0.00 4.17 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.04 0.00 153 D 8.71 4.66 0.00 2.80 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.39 5.68 2.32 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 0.58 0.00 0.00 0.98 0.00 0.00 155 L 8.40 3.18 0.00 1.41 1.29 -0.75 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 156 K 8.15 4.87 0.00 1.66 1.48 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.45 7.81 157 C 8.54 5.27 0.00 1.61 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 0.00 0.00 0.00 0.00 158 L 8.63 5.01 0.00 1.69 1.44 0.99 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 159 K 8.91 5.17 0.00 1.81 1.81 0.00 1.89 0.00 0.00 1.77 0.00 0.00 2.78 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.64 7.81 160 A 9.56 4.91 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 0.00 161 P 0.00 5.07 0.00 2.01 2.27 0.00 3.17 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.73 0.00 162 I 8.32 4.45 1.72 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.52 0.76 0.00 0.00 163 L 8.69 4.84 0.00 1.54 1.61 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 164 S 8.36 4.46 0.00 4.00 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 0.00 165 D 8.61 4.48 0.00 2.76 2.79 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 0.00 166 S 7.99 4.17 0.00 4.05 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 0.00 167 S 7.89 4.10 0.00 3.84 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 0.00 168 C 8.22 4.28 0.00 3.20 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 0.00 169 K 8.29 3.97 0.00 1.98 1.90 0.00 1.86 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.63 7.81 170 S 8.06 4.31 0.00 4.03 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 0.00 171 A 7.75 4.02 1.09 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 0.00 0.00 172 Y 7.85 4.89 0.00 3.15 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 0.00 173 P 0.00 4.59 0.00 2.21 2.12 0.00 3.59 0.00 0.00 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.97 0.00 174 G 9.03 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 0.00 175 Q 8.28 4.57 0.00 2.33 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.98 0.00 0.00 0.00 0.00 0.00 2.29 2.54 0.00 176 I 7.83 4.52 1.98 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.00 1.00 0.00 0.00 177 T 8.19 4.59 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 1.25 0.00 0.00 178 S 8.56 4.44 0.00 4.00 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 0.00 179 N 8.21 4.99 0.00 3.06 3.08 0.00 0.00 6.67 7.50 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 0.00 180 M 8.09 6.06 0.00 1.82 1.98 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.42 0.00 181 F 8.20 5.07 0.00 2.94 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 C 9.29 5.80 0.00 2.98 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 0.00 183 A 8.80 5.05 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 0.00 184 G 6.81 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 184A Y 8.27 4.65 0.00 2.98 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 0.00 185 L 8.61 4.26 0.00 1.73 1.72 0.92 0.88 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 0.00 186 E 8.20 4.19 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 2.32 2.26 0.00 187 G 7.51 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 G 9.56 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 188A K 7.23 4.99 0.00 1.43 1.63 0.00 0.88 0.00 0.00 1.40 0.00 0.00 2.43 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.19 1.12 7.81 189 D 8.54 4.60 0.00 2.81 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 0.00 190 S 8.80 4.95 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.48 4.82 0.00 2.89 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 0.00 192 Q 8.57 4.47 0.00 2.42 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 5.65 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 193 G 9.17 4.54 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 0.00 0.00 0.00 194 D 8.49 4.71 0.00 2.95 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 0.00 195 S 8.00 4.42 0.00 3.99 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 0.00 196 G 8.83 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 0.00 197 G 7.88 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 P 0.00 5.20 0.00 2.33 2.35 0.00 3.69 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 2.22 2.22 0.00 199 V 8.47 4.58 2.30 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 0.91 0.00 0.00 0.79 0.00 0.00 200 V 8.67 4.78 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 0.87 0.00 0.00 0.70 0.00 0.00 201 C 8.84 5.08 0.00 2.79 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 0.00 202 S 9.72 3.67 0.00 3.94 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 0.00 203 G 8.36 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 0.00 0.00 0.00 204 K 7.58 4.67 0.00 1.72 1.64 0.00 1.91 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.40 7.81 *209 L 8.29 4.33 0.00 1.51 1.64 1.02 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 210 Q 8.94 4.52 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.36 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 211 G 8.04 5.29 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 0.00 212 I 8.14 5.23 1.91 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.79 0.97 0.00 0.00 213 V 8.97 3.68 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.16 0.00 0.00 214 S 8.48 4.82 0.00 3.86 3.75 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 0.00 215 W 7.60 5.11 0.00 3.34 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 0.00 216 G 8.28 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 0.00 217 S 8.29 4.72 0.00 4.14 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 *219 G 8.00 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 0.00 0.00 0.00 0.00 220 C 8.20 4.96 0.00 2.95 2.94 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 0.00 221 A 9.13 4.01 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 221A Q 7.29 4.62 0.00 2.26 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.23 6.95 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 222 K 8.42 4.10 0.00 1.72 1.72 0.00 1.94 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.56 7.81 223 N 9.18 4.24 0.00 2.81 2.82 0.00 0.00 6.78 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 0.00 224 K 7.45 4.32 0.00 1.69 1.84 0.00 1.70 0.00 0.00 1.35 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.50 7.81 225 P 0.00 4.60 0.00 2.14 2.11 0.00 3.63 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.99 0.00 226 G 8.45 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 0.00 0.00 0.00 227 V 7.31 4.46 0.67 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 0.44 0.00 0.00 -0.74 0.00 0.00 228 Y 8.25 4.84 0.00 1.43 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 0.00 229 T 8.48 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 1.23 0.00 0.00 230 K 9.29 5.04 0.00 2.09 1.91 0.00 1.80 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.65 7.81 231 V 8.80 3.93 2.35 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 1.15 0.00 0.00 1.14 0.00 0.00 232 C 8.38 4.35 0.00 3.17 3.24 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 0.00 233 N 8.02 4.21 0.00 2.41 2.33 0.00 0.00 6.96 7.34 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 0.00 234 Y 8.02 4.80 0.00 3.08 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 235 V 7.89 3.70 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 1.12 0.00 0.00 1.12 0.00 0.00 236 S 8.11 4.15 0.00 3.98 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 0.00 237 W 8.24 4.12 0.00 3.51 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 0.00 238 I 8.41 3.18 2.03 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.00 0.76 0.00 0.00 239 K 8.07 3.75 0.00 1.91 1.78 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.59 7.81 240 Q 8.00 3.89 0.00 1.93 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.95 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 241 T 7.52 3.70 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 0.00 242 I 7.17 2.72 1.41 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.55 0.41 0.00 0.00 243 A 7.64 4.06 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 0.00 244 S 7.39 4.66 0.00 4.04 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 0.00 245 N 7.94 4.68 0.00 3.02 3.05 0.00 0.00 6.76 8.54 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 * Residues marked with a * may have inaccurate shift predictions.