NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2996 8.3049 120.3475 55.6417 32.1349 174.1933 2 T 3.8246 8.4165 122.6671 63.3963 68.5436 175.1925 3 H 3.9072 7.6489 120.7381 55.3483 29.7500 174.4459 4 N 4.5140 7.2150 124.8267 53.8309 38.2025 176.0754 5 D 4.8631 10.6100 116.1543 51.5547 44.3027 174.6535 6 K 5.3091 7.8490 135.0000 57.4274 33.0577 174.5679 7 L 4.3195 8.0979 130.1516 53.0152 40.7816 177.3850 8 Q 4.4556 7.4669 119.3115 55.3271 31.1824 173.3611 9 V 3.9113 7.9722 129.4441 62.2958 37.3529 173.9960 10 A 3.3715 9.0487 112.9753 50.8728 14.1714 177.3956 11 E 3.7224 7.9748 119.1744 57.6086 30.7085 175.9524 12 I 3.0710 8.1315 118.9825 60.0870 33.6968 171.4918 13 K 4.1716 7.7728 123.0857 55.3941 32.2329 175.6289 14 R 4.6771 8.5703 122.0324 55.4672 34.6482 173.1173 15 G 4.0151 7.8525 105.3703 47.1926 0.0000 171.8326 16 T 4.8560 7.6189 112.2441 64.4434 73.3993 174.1529 17 V 5.3683 8.1221 121.3941 62.1609 32.3800 173.8636 18 I 4.5123 7.7959 121.3591 61.5572 37.8358 175.7618 19 N 4.6587 8.5757 121.2937 52.2808 37.7346 174.5826 20 H 3.9403 8.5472 119.2047 57.1442 26.6705 174.2477 21 I 3.7716 7.5647 130.4453 61.3231 38.4821 178.4622 22 P 4.9207 0.0000 0.0000 62.6878 31.2711 176.2115 23 A 4.5588 8.2126 120.0295 51.4744 21.3725 175.2316 24 E 3.9433 10.4486 122.5395 56.5525 28.1144 175.2970 25 I 4.7485 7.2202 115.1645 58.3157 38.6829 173.2422 26 G 4.1631 7.6914 110.1513 45.8106 0.0000 172.5175 27 F 4.3709 8.4988 123.0630 61.8549 39.2852 178.1319 28 K 4.3671 7.2946 116.8372 57.5700 32.1253 177.9698 29 L 4.3207 7.9678 118.7398 58.3534 41.7671 179.4564 30 L 4.0259 8.1021 117.9622 57.5987 41.6528 178.9934 31 S 4.5184 7.4671 111.0283 59.5580 64.3029 175.2997 32 L 3.8265 10.8200 122.9962 56.6141 41.8867 176.8891 33 F 4.9269 9.8214 114.1794 55.0649 43.8477 175.4881 34 K 4.5092 8.2428 117.1367 53.9533 32.5874 178.1760 35 L 3.6419 8.5558 109.1279 54.3964 37.6903 174.4816 36 T 4.9132 7.1643 128.1683 65.1999 70.1160 173.6278 37 E 4.4428 7.7649 121.6366 53.9553 28.3507 174.4802 38 T 4.3975 7.7665 122.1777 62.9158 71.6276 172.6705 39 Q 4.0931 8.8717 125.1397 59.6546 28.5681 176.9180 40 D 4.6342 7.9987 118.6934 53.9633 40.6237 176.4939 41 R 4.3739 8.5398 117.5619 56.2318 31.3405 175.0175 42 I 5.3493 8.0042 119.0373 59.0692 41.7406 175.1532 43 T 4.7366 8.2018 119.1971 62.6088 72.7495 173.2201 44 I 5.4079 7.4638 125.4033 60.9599 42.0210 173.5151 45 G 4.0171 7.7285 106.5237 46.5836 0.0000 172.1097 46 L 4.9767 8.0750 122.7715 52.9871 43.2785 177.6636 47 N 4.3647 9.3294 124.5315 54.7914 38.6968 175.4353 48 L 3.5110 7.4211 118.9655 55.4767 39.9116 173.7395 *49 P 4.5850 0.0000 0.0000 62.6533 31.6343 179.0776 *50 S 4.6910 8.4263 111.0021 58.0356 63.9180 173.7909 51 G 4.1030 7.8677 111.2533 46.4314 0.0000 174.8065 *52 E 4.6856 8.2951 116.2161 54.4435 34.0194 177.1560 *53 M 4.2391 7.9865 118.2445 56.5709 31.4119 178.9820 54 G 3.7075 7.5239 113.5036 46.6538 0.0000 173.4500 *55 R 4.6062 7.8341 120.4472 53.6873 32.8845 178.0404 *56 K 4.6271 8.4646 126.1596 52.5481 34.5021 173.6621 *57 D 4.5614 8.9078 126.5170 57.0909 39.8793 176.3106 *58 L 4.5206 8.1730 121.3289 54.8269 39.6109 175.8528 *59 I 4.1628 7.5577 117.1965 61.2263 39.2318 175.9050 *60 K 4.5695 8.3271 120.0174 54.4879 36.4596 174.8578 61 I 3.8134 7.0372 113.0824 62.2353 36.1862 174.2719 62 E 4.7984 8.8009 126.8296 55.6969 32.8068 174.5305 63 N 5.1334 8.1931 118.0745 52.7951 42.2272 174.1769 64 T 4.5879 8.8570 124.1073 63.6305 71.9449 171.7604 65 F 3.6125 8.4716 121.1931 58.8803 35.8825 173.8241 66 L 4.2781 7.0213 123.3791 55.9902 42.6600 180.4813 67 S 4.2556 6.6173 120.2042 57.8448 68.5817 177.1216 68 E 4.5622 8.4586 120.2366 56.0114 29.9885 175.6716 69 D 4.2812 8.2805 120.1537 54.8343 39.5921 177.6281 70 E 4.4447 7.6842 115.1018 56.9506 31.0660 177.5773 71 V 4.1063 6.9202 120.6054 60.5753 31.8183 177.3153 72 D 4.3254 8.9323 110.5658 56.3226 41.4593 175.7103 73 E 4.0286 12.0000 116.7865 58.8777 29.6695 178.1110 74 L 3.8012 8.0855 117.4503 57.7702 41.3334 179.9049 75 A 3.8021 7.3639 121.4564 55.1231 19.0578 178.7785 76 L 4.2731 8.0037 114.6437 58.0352 41.8963 177.9233 77 Y 4.6627 8.2416 113.8805 59.1919 38.6720 176.6774 78 A 4.8016 7.4117 122.0459 50.6494 19.9717 174.5396 79 P 4.0189 0.0000 0.0000 64.4018 32.5610 177.9324 80 Q 4.4795 7.2888 118.6064 56.1774 29.0487 174.1303 81 A 5.1028 7.1097 121.9221 52.9936 22.5834 176.3766 82 T 4.1879 7.6391 101.4899 62.0126 71.7372 174.7523 83 V 4.8693 7.8182 118.0413 60.1317 34.2840 174.5839 84 N 4.2440 8.5951 120.5690 54.1185 39.3304 174.7599 85 R 4.5640 7.2464 113.7373 56.6609 35.1588 173.1501 86 I 4.6545 7.6740 118.9275 60.0908 41.2082 175.6939 87 N 4.3473 9.1106 125.4031 55.3178 37.3665 174.4643 88 D 4.6358 7.9547 120.1987 53.0696 41.7288 171.2477 89 Y 3.3614 9.8938 131.9814 58.1067 36.0373 168.5604 90 E 4.6827 7.5879 119.9690 55.7834 31.6470 175.5516 91 V 4.1977 7.9241 118.7032 61.8981 34.0472 175.8925 92 V 4.3557 7.9152 124.5590 62.1632 32.8693 172.3478 93 G 3.4008 8.3674 109.9500 48.0987 0.0000 173.8316 94 K 4.0584 7.7203 123.3208 57.9801 28.3976 174.5335 95 S 4.6037 7.4783 118.7048 56.7636 65.3014 173.8675 96 R 4.6424 8.2441 124.5041 52.9749 32.3441 174.2481 97 P 4.1025 0.0000 0.0000 63.1973 31.2302 175.9977 98 S 4.1952 10.0392 118.4887 56.5495 63.1119 174.3754 99 L 3.4011 7.5970 123.8132 53.8323 39.9526 173.5178 100 P 4.3899 0.0000 0.0000 64.5968 32.8029 176.0997 101 E 4.4073 7.7127 116.5010 54.6677 25.7935 173.4001 102 R 4.8447 8.2633 120.6084 59.8216 32.5660 173.0301 103 N 4.1703 7.1138 113.3491 50.7659 39.7066 173.2238 104 I 4.2869 8.5870 123.1282 60.9071 37.2631 175.5455 105 D 4.8960 8.6827 124.7284 53.4490 40.6940 177.1964 106 V 4.1471 8.9955 120.3035 61.4082 32.1769 175.8469 107 L 4.6109 7.8148 124.0621 55.7817 45.2270 173.2742 108 V 4.2459 8.0192 109.6202 61.7433 32.8816 171.4423 109 C 4.0186 8.9968 125.7675 59.1750 31.2853 173.0900 110 P 4.5397 0.0000 0.0000 63.9679 31.3100 176.6505 111 D 4.4965 6.8078 118.0528 54.9382 41.4413 176.3372 112 S 4.5296 8.6581 120.0771 59.1150 63.7459 174.3625 113 N 4.7408 7.6547 117.2181 54.3808 40.2111 174.2333 114 C 3.7896 7.9735 116.4240 58.5551 32.8254 173.9404 115 I 3.8027 8.4596 126.0256 63.6672 37.0870 176.4317 116 S 3.7672 7.4850 113.4777 60.4073 62.6266 173.9391 117 H 4.4689 10.1998 120.6095 55.4804 25.9071 175.2896 118 A 4.6859 7.7926 120.0809 52.5108 22.6398 176.1049 119 E 4.5916 7.5382 112.5924 55.1812 33.0720 173.9937 120 P 4.7096 0.0000 0.0000 64.1631 29.4966 176.8517 121 V 4.3702 7.0886 130.1180 60.4251 30.3252 179.2760 122 S 5.1788 8.1916 129.9034 58.8463 63.6530 176.3426 123 S 4.1518 8.1224 120.9987 58.1480 61.9291 172.5091 124 S 5.2531 8.2365 121.6869 55.4135 65.4958 172.2874 125 F 5.3527 9.0973 124.9528 54.5991 42.4011 173.8046 126 A 4.9606 8.6296 124.8575 50.3466 21.5488 175.4984 127 V 5.2137 8.2965 121.5652 61.0748 32.6531 175.1329 128 R 4.3139 8.4993 127.0457 55.3332 33.5247 173.1549 129 R 4.3064 8.4462 119.0724 54.5963 33.6723 176.7229 130 A 3.9111 6.7761 130.7012 55.1423 15.1109 176.5183 131 D 5.3639 7.6502 128.0547 52.7412 36.9253 177.2860 132 D 5.2865 7.8505 129.6577 53.9560 45.6100 174.1969 133 I 3.3598 7.1314 124.7271 61.1504 37.4466 172.3909 134 A 4.9841 9.2602 127.5699 49.9775 22.2307 175.1824 135 L 4.8739 8.2320 120.3407 53.5857 45.7384 176.0504 136 K 5.0237 9.3432 127.1070 55.4001 35.4236 175.8093 137 C 5.2023 8.3626 114.7354 58.3357 32.3152 173.5525 138 K 3.7788 7.4264 117.7373 56.7540 32.6470 175.6740 139 Y 5.3528 7.5915 128.4090 58.1429 35.2547 172.6830 140 C 4.8170 7.9341 113.5215 63.6646 29.9989 177.3145 141 E 3.6639 6.9479 118.1778 58.3069 25.8490 176.7216 142 K 4.3705 7.3995 118.2937 54.3276 36.7287 175.2351 143 E 4.6818 8.1010 122.4289 54.9534 31.1133 174.2617 144 F 5.5504 8.5589 130.0650 56.1596 42.4485 174.4766 145 S 4.5932 8.5957 114.5117 59.5085 65.0625 175.9062 146 H 3.9186 8.4296 119.6605 58.2363 30.7244 175.1371 147 N 4.3653 8.1418 116.0910 54.7009 38.6079 175.1956 148 V 3.3533 7.4160 109.3810 62.1111 29.4144 173.2470 149 V 4.2465 7.1343 135.0000 64.6167 32.7754 171.8512 150 L 4.1420 7.4930 122.8418 56.6851 41.5236 174.8206 151 A 4.6267 9.2157 131.3823 49.4867 17.2592 176.4070 152 N 4.4010 8.8760 123.4745 56.4664 40.0723 173.1057 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 1 M 8.30 4.30 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 2 T 8.42 3.82 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 1.24 0.00 0.00 3 H 7.65 3.91 0.00 3.25 3.66 0.00 5.83 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 N 7.22 4.51 0.00 2.88 2.17 0.00 0.00 5.78 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 D 10.61 4.86 0.00 2.49 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 6 K 7.85 5.31 0.00 1.86 1.78 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.19 1.13 7.81 7 L 8.10 4.32 0.00 1.69 1.64 0.93 0.83 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 8 Q 7.47 4.46 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 9 V 7.97 3.91 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.95 0.00 0.00 10 A 9.05 3.37 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 11 E 7.97 3.72 0.00 1.91 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 2.01 2.16 0.00 12 I 8.13 3.07 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.49 0.87 0.00 0.00 13 K 7.77 4.17 0.00 1.90 2.06 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.24 1.26 7.81 14 R 8.57 4.68 0.00 2.12 1.82 0.00 3.06 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.54 0.00 15 G 7.85 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 T 7.62 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 1.28 0.00 0.00 17 V 8.12 5.37 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.97 0.00 0.00 18 I 7.80 4.51 1.91 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 1.12 0.97 0.99 0.00 0.00 19 N 8.58 4.66 0.00 2.90 2.80 0.00 0.00 6.26 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 H 8.55 3.94 0.00 3.19 3.82 0.00 5.76 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 21 I 7.56 3.77 1.91 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 1.50 0.94 0.91 0.00 0.00 22 P 0.00 4.92 0.00 2.21 1.82 0.00 3.76 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.06 0.00 23 A 8.21 4.56 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 10.45 3.94 0.00 2.16 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 0.00 2.14 2.21 0.00 25 I 7.22 4.75 1.93 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.14 1.01 0.00 0.00 26 G 7.69 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 27 F 8.50 4.37 0.00 3.09 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 7.29 4.37 0.00 2.00 1.80 0.00 1.82 0.00 0.00 1.84 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.63 1.73 7.81 29 L 7.97 4.32 0.00 1.88 1.88 1.07 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.10 4.03 0.00 1.52 1.55 1.06 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 31 S 7.47 4.52 0.00 3.88 3.76 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 32 L 10.82 3.83 0.00 1.84 1.69 1.13 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 33 F 9.82 4.93 0.00 3.18 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 34 K 8.24 4.51 0.00 1.79 1.42 0.00 1.96 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.47 1.52 7.81 35 L 8.56 3.64 0.00 1.97 1.78 0.94 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.16 4.91 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 37 E 7.76 4.44 0.00 1.96 1.92 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 2.26 2.27 0.00 38 T 7.77 4.40 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 1.27 0.00 0.00 39 Q 8.87 4.09 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.88 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 40 D 8.00 4.63 0.00 2.59 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 41 R 8.54 4.37 0.00 1.90 2.06 0.00 2.91 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 42 I 8.00 5.35 1.90 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 1.38 1.88 0.94 0.00 0.00 43 T 8.20 4.74 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 1.31 0.00 0.00 44 I 7.46 5.41 1.94 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 1.48 0.84 1.01 0.00 0.00 45 G 7.73 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.07 4.98 0.00 1.64 1.52 0.88 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 47 N 9.33 4.36 0.00 2.99 2.98 0.00 0.00 7.43 7.85 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 48 L 7.42 3.51 0.00 1.66 1.71 0.91 1.42 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 *49 P 0.00 4.58 0.00 2.09 1.84 0.00 3.69 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 1.94 1.58 0.00 *50 S 8.43 4.69 0.00 3.58 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 51 G 7.87 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 *52 E 8.30 4.69 0.00 1.93 1.65 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 2.12 1.86 0.00 *53 M 7.99 4.24 0.00 2.03 1.83 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.10 0.00 54 G 7.52 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 *55 R 7.83 4.61 0.00 1.80 1.67 0.00 3.21 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.14 0.00 *56 K 8.46 4.63 0.00 1.72 1.58 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.24 0.95 7.81 *57 D 8.91 4.56 0.00 2.69 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 *58 L 8.17 4.52 0.00 1.72 1.92 0.92 0.74 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 *59 I 7.56 4.16 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.86 0.91 0.00 0.00 *60 K 8.33 4.57 0.00 1.64 1.68 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.28 1.26 7.81 61 I 7.04 3.81 2.21 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.80 0.86 0.00 0.00 62 E 8.80 4.80 0.00 1.91 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.17 0.00 63 N 8.19 5.13 0.00 2.66 2.68 0.00 0.00 6.86 7.54 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 64 T 8.86 4.59 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 65 F 8.47 3.61 0.00 3.11 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 74 L 8.09 3.80 0.00 1.66 1.71 0.59 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 75 A 7.36 3.80 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 76 L 8.00 4.27 0.00 1.82 2.34 1.20 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 77 Y 8.24 4.66 0.00 2.94 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 78 A 7.41 4.80 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 79 P 0.00 4.02 0.00 2.20 2.40 0.00 3.80 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 2.00 2.00 0.00 80 Q 7.29 4.48 0.00 1.95 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.62 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 81 A 7.11 5.10 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 82 T 7.64 4.19 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 1.25 0.00 0.00 83 V 7.82 4.87 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 0.70 0.00 0.00 0.89 0.00 0.00 84 N 8.60 4.24 0.00 2.67 2.79 0.00 0.00 6.76 7.65 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 85 R 7.25 4.56 0.00 1.95 1.95 0.00 3.21 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.40 0.00 86 I 7.67 4.65 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.80 0.95 0.00 0.00 87 N 9.11 4.35 0.00 2.89 2.95 0.00 0.00 5.93 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 D 7.95 4.64 0.00 2.67 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 89 Y 9.89 3.36 0.00 3.16 3.19 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 90 E 7.59 4.68 0.00 2.08 1.84 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 2.04 2.19 0.00 91 V 7.92 4.20 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 0.82 0.00 0.00 0.91 0.00 0.00 92 V 7.92 4.36 2.24 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 0.81 0.00 0.00 0.92 0.00 0.00 93 G 8.37 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 0.00 0.00 0.00 94 K 7.72 4.06 0.00 1.82 2.15 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.44 7.81 95 S 7.48 4.60 0.00 3.80 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 96 R 8.24 4.64 0.00 1.74 1.79 0.00 3.20 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 97 P 0.00 4.10 0.00 2.12 2.02 0.00 3.73 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.98 0.00 98 S 10.04 4.20 0.00 3.78 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.95 0.00 0.00 107 L 7.81 4.61 0.00 2.10 1.86 0.70 0.87 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 0.00 108 V 8.02 4.25 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 0.66 0.00 0.00 1.01 0.00 0.00 109 C 9.00 4.02 0.00 3.10 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 0.00 110 P 0.00 4.54 0.00 1.42 1.94 0.00 2.38 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 2.15 0.00 111 D 6.81 4.50 0.00 3.36 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 0.00 112 S 8.66 4.53 0.00 3.91 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 0.00 113 N 7.65 4.74 0.00 2.84 2.86 0.00 0.00 7.06 7.53 0.00 0.00 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 C 7.97 3.79 0.00 3.01 2.92 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 0.00 115 I 8.46 3.80 1.73 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.63 0.81 0.00 0.00 116 S 7.49 3.77 0.00 3.72 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 0.00 117 H 10.20 4.47 0.00 3.16 3.76 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 A 7.79 4.69 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 0.00 119 E 7.54 4.59 0.00 1.85 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.20 0.00 120 P 0.00 4.71 0.00 2.15 2.08 0.00 3.71 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 121 V 7.09 4.37 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 0.37 0.00 0.00 0.87 0.00 0.00 122 S 8.19 5.18 0.00 4.05 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 0.00 123 S 8.12 4.15 0.00 3.96 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 0.00 124 S 8.24 5.25 0.00 3.84 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 0.00 125 F 9.10 5.35 0.00 3.21 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 0.00 126 A 8.63 4.96 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 0.00 127 V 8.30 5.21 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 0.95 0.00 0.00 1.00 0.00 0.00 128 R 8.50 4.31 0.00 1.87 1.68 0.00 3.16 0.00 0.00 3.33 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 129 R 8.45 4.31 0.00 1.88 1.74 0.00 3.20 0.00 0.00 3.36 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 130 A 6.78 3.91 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 0.00 131 D 7.65 5.36 0.00 2.88 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 0.00 132 D 7.85 5.29 0.00 2.66 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 0.00 133 I 7.13 3.36 2.06 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 1.28 0.80 0.96 0.00 0.00 134 A 9.26 4.98 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 0.00 135 L 8.23 4.87 0.00 1.57 1.50 0.94 0.68 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 0.00 136 K 9.34 5.02 0.00 1.70 1.78 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.76 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.33 7.81 137 C 8.36 5.20 0.00 3.30 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 K 7.43 3.78 0.00 1.59 1.65 0.00 0.61 0.00 0.00 1.28 0.00 0.00 2.65 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.14 0.97 7.81 139 Y 7.59 5.35 0.00 3.18 3.16 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 0.00 140 C 7.93 4.82 0.00 3.09 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 E 6.95 3.66 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 142 K 7.40 4.37 0.00 1.10 1.03 0.00 1.62 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.70 1.45 7.81 143 E 8.10 4.68 0.00 1.78 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.18 0.00 144 F 8.56 5.55 0.00 2.82 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 S 8.60 4.59 0.00 3.67 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 0.00 146 H 8.43 3.92 0.00 3.33 3.64 0.00 5.57 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 N 8.14 4.37 0.00 2.89 2.87 0.00 0.00 6.98 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 0.00 148 V 7.42 3.35 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 0.73 0.00 0.00 0.88 0.00 0.00 149 V 7.13 4.25 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 0.41 0.00 0.00 0.76 0.00 0.00 150 L 7.49 4.14 0.00 1.68 1.49 0.39 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 151 A 9.22 4.63 0.94 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 0.00 152 N 8.88 4.40 0.00 2.92 2.65 0.00 0.00 6.98 7.56 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 * Residues marked with a * may have inaccurate shift predictions.