NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.1577 8.2993 119.9978 56.6655 34.0155 178.7399 *4 S 4.2801 8.6430 110.2591 57.5777 63.8022 174.2408 5 E 4.0932 8.8698 121.3554 59.7854 29.5946 179.2399 6 L 3.8946 7.9398 118.9258 58.1596 42.6642 178.1956 7 E 4.0653 7.9470 118.8493 58.8768 29.4511 179.3627 8 K 4.0428 8.3073 116.7394 56.9724 31.8696 178.6364 *10 L 4.1733 7.9094 120.8063 54.4344 43.4347 177.8164 11 K 4.3545 7.8351 116.0984 55.5489 31.9357 176.4480 12 G 4.1610 8.0787 105.8495 46.3903 0.0000 173.7380 13 E 4.8356 7.8977 117.1113 53.7936 32.7749 176.1875 14 H 4.3306 8.7088 118.3050 56.1649 29.3092 174.9601 15 F 5.1099 7.7872 116.7350 55.2472 41.1109 173.2386 16 D 4.6543 9.5076 121.8749 52.6657 41.4002 177.5072 17 G 3.9005 8.8281 116.4752 48.7363 0.0000 174.0011 18 A 4.1948 8.1004 120.6734 53.2816 18.9402 178.0809 19 S 4.2028 7.7915 110.7922 58.4113 64.1013 174.7782 20 A 4.0238 8.6207 129.8455 55.4826 18.0583 179.9624 21 E 3.9390 8.1551 116.5622 59.5926 29.5946 179.5330 22 I 3.7558 7.4367 119.2173 64.2287 37.1379 178.1086 23 E 3.9908 8.4608 120.1124 59.3129 29.4510 178.6770 24 A 4.0232 8.2584 120.9268 55.0617 18.3159 179.4297 25 L 3.9630 7.8001 118.8255 58.2186 42.1777 179.1178 26 R 4.1396 8.1414 120.0903 58.7787 30.0367 178.2817 27 S 4.0559 8.2517 113.0395 61.6168 62.4582 175.9087 28 Q 3.9603 8.3457 122.0294 59.2567 28.7304 178.2566 29 A 4.0998 8.4067 122.0521 54.9581 18.2262 179.7852 30 G 3.5484 8.3863 104.8110 47.8123 0.0000 175.9607 31 R 3.9159 8.0717 120.9333 59.3604 30.1299 178.7096 32 L 3.9922 7.9635 118.7398 57.5100 41.4364 179.8048 33 K 3.9139 8.1894 118.5953 59.2886 31.9119 178.9693 34 L 3.9276 7.5489 120.5632 58.4828 41.7746 179.0068 35 E 4.0026 7.9662 116.9671 59.2494 29.4786 179.2324 36 I 3.8570 7.9143 120.3082 64.5121 37.0289 178.2608 37 N 4.4345 8.8279 116.3011 55.4145 38.4117 176.4538 38 Q 4.5788 7.5987 117.4550 54.4266 29.3156 175.1846 39 S 4.6435 7.2088 116.5636 56.5899 64.0341 174.3514 40 L 4.0643 8.5696 126.2422 57.3658 41.9511 177.9382 41 D 4.4896 7.9489 118.6589 53.6582 42.2892 176.2509 42 E 3.9424 8.8411 127.4154 59.2960 29.7748 178.5755 43 A 3.9957 7.9496 120.9462 55.1535 18.4590 179.1909 44 E 3.8587 8.1509 117.3644 59.3715 29.9115 178.5768 45 R 3.8677 8.0175 118.7626 59.8709 30.1145 177.8561 46 Y 4.2458 8.3086 120.2269 59.9302 38.8434 177.6559 47 A 3.9820 8.3958 122.0196 55.2947 18.6246 179.7068 48 L 4.0042 8.3111 117.7631 57.8290 41.6954 179.7704 49 Q 3.6428 7.6883 117.8521 58.5218 28.4790 178.4572 50 R 3.9814 7.5914 117.8109 58.3680 30.0477 178.0915 51 E 4.2061 7.2094 116.3436 58.0504 29.9499 178.2282 52 L 3.9323 7.3451 120.4186 57.2383 42.1546 177.2993 53 F 5.5577 6.3891 115.2586 56.2217 39.8941 176.1092 54 G 3.8116 8.7254 109.3792 49.0756 0.0000 173.6904 55 H 5.0513 8.5474 119.1692 54.4838 33.9772 172.4581 56 L 4.7239 8.0004 125.8978 53.1962 44.4814 176.1206 57 G 4.0516 8.6115 114.0865 45.1173 0.0000 172.0755 58 H 4.3165 9.2986 120.4123 56.6170 31.0095 175.5619 59 K 3.8146 8.2989 124.0236 57.7296 29.7085 174.3506 60 S 5.2224 8.0293 112.3038 57.0797 65.5736 174.0467 61 C 4.9466 9.0089 120.4345 57.9252 31.8794 173.2109 62 V 4.5179 8.3630 122.9070 60.9582 32.9381 174.8203 63 Q 4.3728 8.5627 128.8688 54.7019 29.0006 175.0780 64 P 4.5332 0.0000 0.0000 62.1148 32.2123 173.7348 65 P 4.9563 0.0000 0.0000 61.8816 32.8883 174.5191 66 F 4.9396 8.9773 124.4892 56.7271 42.0835 174.0023 67 H 4.9175 8.0353 122.4107 53.9873 31.5166 172.7088 68 C 5.0079 8.3874 116.7689 57.2213 32.3065 173.2750 69 E 4.3032 8.9899 115.2702 56.1077 30.9541 177.6200 70 F 4.6904 8.4124 116.4082 56.4725 41.7496 176.0776 71 G 4.5975 9.3278 113.8362 46.5985 0.0000 176.1745 72 K 4.1364 7.8833 119.5565 58.5928 32.3672 178.6495 73 T 4.3139 8.0684 107.5489 62.3804 69.4939 173.3648 74 I 4.8306 7.6832 124.4423 59.9235 39.5846 174.4503 75 R 5.0527 8.7643 126.0641 54.3894 32.9987 174.8971 76 I 4.6984 8.5315 124.8517 59.4792 40.7762 176.3062 77 G 4.2480 8.5782 114.1616 45.4011 0.0000 172.2773 78 D 4.7917 8.8209 119.2901 54.9322 42.4098 176.8771 79 H 4.5939 8.6362 116.6024 56.3435 27.2491 174.0591 80 T 5.0917 8.1779 115.7606 62.0031 70.8739 173.5837 81 F 5.3004 9.3787 128.5614 56.4320 42.2219 173.8257 82 I 4.5188 8.0537 127.1122 59.3769 39.3200 174.5456 83 N 4.5042 8.1872 131.6731 53.1390 41.4342 175.4093 *85 N 4.7704 8.6507 119.6066 53.2557 41.7619 175.0877 86 V 4.2522 7.8546 117.5799 62.7726 33.1230 175.0586 87 V 5.0738 8.2713 126.1920 59.9186 35.8163 173.7703 *89 L 4.5427 8.2970 120.0247 54.3573 42.8250 177.5261 90 D 5.1776 8.1199 127.5484 52.3670 39.9633 178.2338 91 G 3.7829 8.7618 110.9028 49.1996 0.0000 173.9646 92 A 4.7537 7.5521 119.2330 48.9001 22.1110 174.8981 93 P 4.6529 0.0000 0.0000 63.1115 32.9753 175.8410 94 I 5.1371 8.9031 123.0292 59.9564 41.0910 174.5347 95 T 5.0653 9.2554 123.3270 61.8126 72.2404 173.0428 96 I 4.8773 8.7613 126.6814 59.7195 40.9710 176.0400 97 G 4.2449 8.5178 115.7015 45.9416 0.0000 172.7353 98 D 4.9072 9.5926 119.9102 54.3460 42.7396 176.4362 99 H 4.8786 8.5545 115.2544 55.8999 27.2971 174.6516 100 V 4.5843 7.8262 117.7428 61.9157 33.7476 174.5316 101 L 5.4681 8.9727 125.9064 53.1418 45.2643 175.4489 102 I 5.0374 8.8118 124.7729 59.2026 39.7380 175.8501 103 G 4.2701 9.3222 115.2557 45.1533 0.0000 170.9655 104 P 4.3730 0.0000 0.0000 64.0257 31.8926 177.3069 105 S 4.5178 8.7932 114.3973 59.1595 60.7201 171.4981 106 T 4.3811 7.5192 117.0495 63.7778 69.6469 173.3679 107 Q 5.1925 9.3231 124.4388 54.1664 31.6246 174.4055 108 F 4.9396 9.3169 123.1768 56.1015 40.6989 175.4987 109 Y 5.0088 8.8521 122.3012 56.1818 38.5513 176.3292 110 T 3.9990 9.5549 121.2423 64.9385 69.7036 173.8155 111 A 5.1265 7.3838 122.3013 50.9411 21.4462 175.7840 112 S 4.4565 8.3644 113.0271 58.1005 66.8366 172.2472 113 H 5.3456 8.4228 118.2974 53.8953 32.7511 173.0425 114 S 4.6035 8.5673 113.3543 57.3453 63.1133 174.1088 115 L 4.0958 8.4359 125.4783 56.4049 41.8278 176.4631 116 D 4.7179 8.1377 120.3889 52.5715 41.2729 176.5725 117 Y 4.2267 8.6478 125.6450 59.6172 38.2419 177.7460 118 R 3.6350 7.1081 118.8592 58.3643 30.1452 177.3131 119 R 4.5828 7.7583 115.8546 56.1375 30.4558 176.8667 120 R 4.7397 7.7694 114.2006 55.8657 31.9989 176.9933 121 Q 4.2209 8.2166 116.3635 57.4841 29.1536 176.3104 122 A 4.3668 8.1540 119.7475 50.8690 19.0403 176.5674 123 W 3.8406 8.1958 115.8994 58.5102 27.1580 174.9566 124 E 4.0977 8.4621 116.7963 57.1052 29.5593 176.8577 125 T 4.9419 8.0653 118.8247 61.7032 72.8386 173.0669 126 I 4.5680 8.4713 124.5380 59.5535 41.0046 173.6194 127 C 5.3709 8.8244 127.0343 58.2903 30.0258 172.9100 128 K 4.8413 9.1944 122.6405 53.8591 36.0299 174.5125 129 P 4.7403 0.0000 0.0000 62.7579 33.1218 175.1108 130 I 5.1689 8.5227 121.0051 59.6920 41.3510 174.8851 131 V 4.8451 8.7929 125.4337 61.2379 34.8296 173.9731 132 I 4.6814 9.1916 129.2347 59.6386 39.5365 175.8437 133 E 4.5375 8.7629 127.6598 55.4539 31.2253 176.3284 134 D 4.5723 8.5801 119.4362 55.4408 42.3770 176.9230 135 D 4.9915 8.7990 119.0199 55.2131 39.1343 173.4758 136 V 4.6427 7.6489 118.7973 61.8579 33.5661 174.2484 137 W 5.4475 9.1999 135.0000 55.9679 32.7853 174.2106 138 I 4.5651 9.3292 129.1799 59.2125 39.0148 176.2621 139 G 3.9327 8.3794 115.1730 45.7728 0.0000 172.8729 140 G 3.9369 8.6059 106.4655 45.9228 0.0000 173.4439 141 N 4.3814 8.7081 117.9570 53.4595 38.2653 173.7547 142 V 4.3335 7.5585 115.0946 61.7311 33.5803 174.2658 143 V 4.4079 8.6042 127.1561 61.1150 33.8709 174.3169 144 I 4.4023 8.2817 128.7019 59.5718 39.4812 175.3758 145 N 5.1337 8.5525 125.6201 51.8753 40.1081 175.1347 146 Q 4.0104 8.5550 118.0690 57.0733 29.5373 176.3570 147 G 3.8553 8.6765 108.8780 46.3376 0.0000 173.1615 148 V 4.6272 7.5913 118.4764 60.9492 34.6653 174.2570 149 T 5.0950 8.5357 123.1357 61.8684 71.8121 172.8612 150 I 4.5042 9.2067 128.6106 59.2986 38.4575 175.7718 151 G 4.0995 9.2554 115.4644 45.9518 0.0000 172.3213 152 A 4.2018 8.9023 124.1181 53.0258 19.5626 178.2922 153 R 4.4586 8.8004 117.9596 56.9215 28.3992 176.7431 154 S 4.8652 7.4940 113.6415 57.5819 65.4853 173.2002 155 V 4.8174 8.9683 120.5046 61.2528 34.8254 174.0782 156 V 4.6879 8.2348 127.2242 60.7507 33.1976 174.9800 157 A 4.3019 8.8227 129.8967 51.2347 19.6590 176.7275 158 A 3.9064 8.2297 122.6545 53.7911 18.8853 177.4972 159 N 4.8868 8.5108 118.3214 54.4966 38.2991 174.4546 160 S 4.5855 7.4534 111.9777 58.0666 64.8763 173.3210 161 V 4.5924 8.4197 122.0011 61.3576 33.6255 174.6277 162 V 4.3466 8.5801 129.6137 61.8794 32.0029 175.8594 163 N 4.7609 8.8936 125.2965 53.6902 40.2149 174.1202 164 Q 4.6257 7.5697 113.8567 54.2010 32.1326 173.9672 165 D 4.6371 8.7127 118.5343 55.2135 41.7802 176.7716 166 V 4.3815 8.3289 121.3166 60.4211 33.9289 173.4321 167 P 4.7248 0.0000 0.0000 61.6699 32.1106 174.4454 168 P 4.4144 0.0000 0.0000 62.3434 32.5686 175.2739 169 D 4.4421 8.6020 117.7930 55.9788 39.3321 173.8017 170 T 4.9464 7.9229 113.0647 61.6808 73.3177 173.5807 171 L 5.0029 8.6757 127.3820 53.8518 43.8292 175.6530 172 V 4.9179 8.6899 119.0002 59.8259 35.9020 174.8334 173 G 4.2494 9.2488 109.1616 45.8852 0.0000 171.6011 174 G 3.8253 8.9918 106.2677 44.2768 0.0000 172.7332 175 T 4.8721 7.9485 114.3714 60.9759 71.1577 172.7792 176 P 4.7304 0.0000 0.0000 61.7283 32.7904 175.9727 177 A 4.3669 8.9392 123.1707 52.4745 18.8120 177.3385 178 R 4.6974 9.1881 117.8481 53.8848 33.3393 174.8872 179 I 3.9121 8.3981 121.9416 62.2098 37.0671 175.5261 180 L 4.4056 9.0265 127.6378 56.5225 42.7790 176.8829 181 R 4.5190 7.4408 115.8396 55.3517 33.5137 173.2238 182 S 4.7432 8.6344 118.5848 57.8759 63.0949 173.6615 183 L 4.5382 8.8537 126.2406 54.6339 42.0300 176.9305 184 K 4.1941 7.9314 120.8427 55.9075 32.9997 176.1707 185 D 4.4867 8.4446 120.5817 54.4213 41.1732 176.0392 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 K 8.30 4.16 0.00 1.89 1.07 0.00 1.58 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.44 7.81 *4 S 8.64 4.28 0.00 4.13 4.07 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 5 E 8.87 4.09 0.00 2.03 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 2.36 2.31 0.00 6 L 7.94 3.89 0.00 1.53 1.63 0.67 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.95 4.07 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 8 K 8.31 4.04 0.00 2.01 2.04 0.00 1.91 0.00 0.00 1.89 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.63 7.81 *10 L 7.91 4.17 0.00 1.58 1.70 0.85 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.84 4.35 0.00 1.84 1.81 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.39 1.60 7.81 12 G 8.08 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 0.00 0.00 0.00 13 E 7.90 4.84 0.00 2.19 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 2.26 2.26 0.00 14 H 8.71 4.33 0.00 3.13 3.22 0.00 5.85 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 15 F 7.79 5.11 0.00 3.21 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 16 D 9.51 4.65 0.00 3.10 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 17 G 8.83 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 18 A 8.10 4.19 1.31 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 0.00 0.00 19 S 7.79 4.20 0.00 3.93 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 20 A 8.62 4.02 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 21 E 8.16 3.94 0.00 2.01 2.01 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 2.41 2.41 0.00 22 I 7.44 3.76 2.11 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.73 1.15 0.00 0.00 23 E 8.46 3.99 0.00 2.15 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 0.00 2.35 2.41 0.00 24 A 8.26 4.02 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 25 L 7.80 3.96 0.00 1.91 1.94 0.96 0.82 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 26 R 8.14 4.14 0.00 2.00 2.28 0.00 3.25 0.00 0.00 3.18 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.39 0.00 27 S 8.25 4.06 0.00 4.01 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 28 Q 8.35 3.96 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 29 A 8.41 4.10 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 30 G 8.39 3.55 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 0.00 0.00 0.00 31 R 8.07 3.92 0.00 1.90 2.06 0.00 3.17 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.66 0.00 32 L 7.96 3.99 0.00 1.66 1.60 0.90 0.95 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 33 K 8.19 3.91 0.00 1.79 1.85 0.00 1.82 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.52 7.81 34 L 7.55 3.93 0.00 1.81 1.78 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 35 E 7.97 4.00 0.00 2.08 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 0.00 2.33 2.63 0.00 36 I 7.91 3.86 2.05 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.80 0.88 0.00 0.00 37 N 8.83 4.43 0.00 2.68 2.88 0.00 0.00 7.04 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 38 Q 7.60 4.58 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.71 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 39 S 7.21 4.64 0.00 3.92 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 40 L 8.57 4.06 0.00 1.66 1.78 0.93 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 41 D 7.95 4.49 0.00 2.72 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 42 E 8.84 3.94 0.00 2.09 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 43 A 7.95 4.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.15 3.86 0.00 2.06 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 0.00 2.38 2.38 0.00 45 R 8.02 3.87 0.00 2.15 2.08 0.00 3.29 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 46 Y 8.31 4.25 0.00 3.14 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 47 A 8.40 3.98 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 48 L 8.31 4.00 0.00 1.74 1.64 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 7.69 3.64 0.00 2.12 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.09 2.34 0.00 50 R 7.59 3.98 0.00 1.77 1.88 0.00 3.12 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.01 0.00 51 E 7.21 4.21 0.00 2.03 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 2.26 2.50 0.00 52 L 7.35 3.93 0.00 1.47 1.10 0.83 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 53 F 6.39 5.56 0.00 3.02 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 54 G 8.73 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 55 H 8.55 5.05 0.00 3.23 3.09 0.00 5.73 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 2.19 2.07 0.00 3.78 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 65 P 0.00 4.96 0.00 2.02 2.08 0.00 3.74 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 66 F 8.98 4.94 0.00 2.97 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 H 8.04 4.92 0.00 2.89 2.97 0.00 5.66 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 C 8.39 5.01 0.00 3.15 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 69 E 8.99 4.30 0.00 1.18 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 0.00 2.10 2.34 0.00 70 F 8.41 4.69 0.00 3.18 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 71 G 9.33 4.60 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 72 K 7.88 4.14 0.00 1.86 1.91 0.00 1.71 0.00 0.00 2.07 0.00 0.00 3.29 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.40 7.81 73 T 8.07 4.31 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 1.23 0.00 0.00 74 I 7.68 4.83 2.14 0.00 0.00 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 1.38 1.07 0.50 0.00 0.00 75 R 8.76 5.05 0.00 1.72 1.79 0.00 3.05 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 76 I 8.53 4.70 1.55 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 0.83 0.64 0.76 0.00 0.00 77 G 8.58 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 0.00 0.00 0.00 0.00 78 D 8.82 4.79 0.00 2.85 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 79 H 8.64 4.59 0.00 3.07 3.28 0.00 5.60 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 T 8.18 5.09 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 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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 92 A 7.55 4.75 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 93 P 0.00 4.65 0.00 2.10 1.99 0.00 3.54 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 2.10 2.11 0.00 94 I 8.90 5.14 1.88 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 1.36 1.08 0.95 0.00 0.00 95 T 9.26 5.07 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 1.22 0.00 0.00 96 I 8.76 4.88 1.90 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.05 0.92 0.00 0.00 97 G 8.52 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 0.00 0.00 0.00 0.00 98 D 9.59 4.91 0.00 2.68 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 99 H 8.55 4.88 0.00 3.43 3.36 0.00 5.81 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 2.21 2.44 0.00 108 F 9.32 4.94 0.00 2.73 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 0.00 109 Y 8.85 5.01 0.00 2.83 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 0.00 110 T 9.55 4.00 4.64 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 1.32 0.00 0.00 111 A 7.38 5.13 1.21 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 0.00 0.00 0.00 112 S 8.36 4.46 0.00 3.98 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 0.00 113 H 8.42 5.35 0.00 3.04 3.19 0.00 5.74 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 S 8.57 4.60 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 0.00 115 L 8.44 4.10 0.00 1.70 1.74 0.94 1.04 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 0.00 116 D 8.14 4.72 0.00 2.75 2.52 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 0.00 117 Y 8.65 4.23 0.00 3.12 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 0.00 118 R 7.11 3.64 0.00 1.53 1.78 0.00 2.98 0.00 0.00 3.06 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.04 0.00 119 R 7.76 4.58 0.00 1.77 1.91 0.00 3.21 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 120 R 7.77 4.74 0.00 1.89 1.92 0.00 3.08 0.00 0.00 3.59 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 121 Q 8.22 4.22 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.31 0.00 0.00 0.00 0.00 0.00 2.49 2.64 0.00 122 A 8.15 4.37 1.31 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 0.00 0.00 123 W 8.20 3.84 0.00 3.43 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 0.00 124 E 8.46 4.10 0.00 2.20 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 125 T 8.07 4.94 4.35 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 1.35 0.00 0.00 126 I 8.47 4.57 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.38 0.95 0.00 0.00 127 C 8.82 5.37 0.00 2.91 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 0.00 128 K 9.19 4.84 0.00 1.68 1.66 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.41 7.81 129 P 0.00 4.74 0.00 2.09 1.99 0.00 3.55 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 2.13 0.00 130 I 8.52 5.17 2.07 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 1.13 0.89 1.00 0.00 0.00 131 V 8.79 4.85 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 1.00 0.00 0.00 0.95 0.00 0.00 132 I 9.19 4.68 1.97 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 1.45 1.38 0.99 0.00 0.00 133 E 8.76 4.54 0.00 1.96 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 2.36 2.47 0.00 134 D 8.58 4.57 0.00 2.64 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 0.00 135 D 8.80 4.99 0.00 2.94 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 0.00 136 V 7.65 4.64 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 1.07 0.00 0.00 1.12 0.00 0.00 137 W 9.20 5.45 0.00 3.41 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 0.00 138 I 9.33 4.57 1.98 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 1.13 0.74 0.89 0.00 0.00 139 G 8.38 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 0.00 140 G 8.61 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 0.00 141 N 8.71 4.38 0.00 2.99 2.84 0.00 0.00 6.71 7.26 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 0.00 142 V 7.56 4.33 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.93 0.00 0.00 143 V 8.60 4.41 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.88 0.00 0.00 144 I 8.28 4.40 1.06 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.21 0.53 0.00 0.00 145 N 8.55 5.13 0.00 2.74 2.82 0.00 0.00 7.08 7.02 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 0.00 146 Q 8.55 4.01 0.00 2.33 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.47 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 147 G 8.68 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 V 7.59 4.63 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 0.94 0.00 0.00 0.97 0.00 0.00 149 T 8.54 5.10 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 0.00 150 I 9.21 4.50 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 1.10 0.70 0.90 0.00 0.00 151 G 9.26 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 0.00 152 A 8.90 4.20 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 0.00 153 R 8.80 4.46 0.00 1.96 2.08 0.00 3.13 0.00 0.00 3.09 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 154 S 7.49 4.87 0.00 4.02 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 0.00 155 V 8.97 4.82 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 1.11 0.00 0.00 156 V 8.23 4.69 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 0.77 0.00 0.00 0.84 0.00 0.00 157 A 8.82 4.30 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 A 8.23 3.91 1.21 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 0.00 0.00 0.00 159 N 8.51 4.89 0.00 2.86 2.92 0.00 0.00 7.20 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 0.00 160 S 7.45 4.59 0.00 3.77 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 0.00 161 V 8.42 4.59 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 0.00 162 V 8.58 4.35 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 0.82 0.00 0.00 0.83 0.00 0.00 163 N 8.89 4.76 0.00 2.71 2.82 0.00 0.00 6.94 7.69 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 0.00 164 Q 7.57 4.63 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.86 0.00 0.00 0.00 0.00 0.00 2.20 2.37 0.00 165 D 8.71 4.64 0.00 2.55 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 0.00 166 V 8.33 4.38 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 0.81 0.00 0.00 0.94 0.00 0.00 167 P 0.00 4.72 0.00 1.97 1.96 0.00 3.72 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 168 P 0.00 4.41 0.00 1.94 2.09 0.00 3.83 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 2.03 2.13 0.00 169 D 8.60 4.44 0.00 2.82 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 0.00 170 T 7.92 4.95 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 1.20 0.00 0.00 171 L 8.68 5.00 0.00 1.76 1.68 0.82 0.75 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 0.00 172 V 8.69 4.92 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 0.65 0.00 0.00 0.86 0.00 0.00 173 G 9.25 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 0.00 0.00 0.00 0.00 174 G 8.99 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 0.00 0.00 0.00 175 T 7.95 4.87 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 1.20 0.00 0.00 176 P 0.00 4.73 0.00 2.05 2.05 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 177 A 8.94 4.37 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 0.00 178 R 9.19 4.70 0.00 1.78 1.97 0.00 2.77 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 179 I 8.40 3.91 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 1.33 0.79 0.90 0.00 0.00 180 L 9.03 4.41 0.00 1.63 1.68 0.88 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 181 R 7.44 4.52 0.00 1.84 1.69 0.00 3.18 0.00 0.00 3.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 182 S 8.63 4.74 0.00 3.92 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 0.00 183 L 8.85 4.54 0.00 1.59 1.71 1.01 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 184 K 7.93 4.19 0.00 1.72 1.71 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.42 7.81 185 D 8.44 4.49 0.00 2.68 2.52 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 * Residues marked with a * may have inaccurate shift predictions.