NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4275 8.3049 118.1926 55.1141 32.5519 174.2544 2 L 4.5352 8.3674 119.8271 51.2864 44.1744 174.1920 3 D 5.0909 9.0011 122.2248 50.9609 43.1651 176.2407 4 A 3.6826 8.2211 119.8212 55.3293 17.8699 180.0294 5 F 4.0522 7.7219 115.8706 60.6984 39.1866 178.1415 6 S 4.2027 8.9118 114.2147 60.9519 62.8631 176.3340 7 K 3.8258 8.2466 123.4676 59.4312 31.9027 178.4931 8 A 3.9760 7.6285 120.9653 55.1803 18.1770 179.7474 9 V 3.5106 7.8562 116.7183 66.0894 31.6874 178.4189 10 V 3.5596 8.1023 118.3066 66.0888 30.8770 178.2126 11 S 4.0940 8.0053 114.3006 61.5815 62.6241 176.5114 12 A 3.8270 8.1612 123.5299 55.2311 18.0091 179.1972 13 D 4.2097 8.4372 116.8640 57.5351 41.0671 178.4392 14 Q 4.0026 7.9148 117.4576 58.0468 28.7144 177.9345 15 K 4.3951 7.2494 116.5843 55.1240 32.7009 176.1256 16 T 3.4600 7.9320 115.1799 64.5671 66.7004 172.0955 17 G 4.2895 7.9792 108.1387 43.8490 0.0000 173.9452 18 Y 4.1783 8.5962 118.6607 57.2953 38.8476 175.4401 19 I 4.5092 8.2908 123.4955 60.2264 38.2914 175.3145 20 G 4.0719 9.3436 116.1757 46.1181 0.0000 174.1807 21 G 3.8374 9.0863 110.7252 46.4749 0.0000 175.5804 22 A 4.0357 9.0399 126.8042 54.7333 18.7248 179.6671 23 E 3.9555 8.1453 116.7616 59.7339 29.6563 179.4732 24 L 4.1407 7.9953 118.4599 57.4464 41.6259 179.4254 25 A 3.9874 7.8323 120.7949 55.1891 18.3924 179.4769 26 A 3.9996 7.6091 118.6284 55.3555 18.4273 179.9368 27 L 4.0006 7.5652 116.6244 57.8538 41.7521 179.6978 28 K 4.1038 8.7822 118.8314 59.9517 32.0584 179.5282 29 T 3.9711 8.0686 116.0026 66.5040 68.1486 176.0649 30 Y 4.0235 8.2018 121.6019 60.9223 38.8090 178.4569 31 I 3.9050 8.2391 120.3841 64.4479 37.0183 178.2998 32 A 4.1088 7.9456 120.5660 54.6991 18.4761 178.3656 33 N 4.7927 7.8854 113.0924 53.3917 38.7246 177.3431 34 G 3.5565 7.9616 110.5132 47.9052 0.0000 175.9595 35 N 4.3641 8.1136 118.3835 56.0768 38.5418 177.4261 36 K 3.9614 7.9684 119.3452 59.3784 32.1542 179.1529 37 R 3.8680 7.7916 118.4597 59.4017 29.9211 178.4693 38 L 4.0023 8.0109 118.7279 58.0532 41.5578 179.3293 39 D 4.3307 8.2021 118.5374 57.1019 40.1982 178.6071 40 A 4.0029 8.3895 121.7382 55.1967 18.4470 179.7344 41 V 3.5870 7.9281 116.7110 66.3336 31.6236 177.5664 42 N 4.2537 8.4462 116.6228 56.7072 38.4510 176.4091 43 A 3.9873 8.0148 121.3767 55.2336 18.7524 179.4345 44 I 3.9319 7.5097 117.2224 64.6177 37.3355 178.7051 45 T 3.8704 7.9684 110.6362 64.9746 68.3167 176.5857 46 S 4.2500 8.0777 116.6402 60.1137 62.9478 174.7116 47 N 4.7327 7.5031 118.0676 52.5000 39.5554 176.1862 48 A 3.9663 7.9396 123.0691 55.5549 18.4043 180.6429 49 S 4.0642 7.9557 111.0865 61.5202 62.6165 175.7088 50 C 4.1467 7.9871 121.0347 62.4376 31.4795 175.4363 51 I 3.7985 7.9469 121.4719 64.3684 36.7392 178.6850 52 V 3.6160 7.7197 118.7903 66.0562 31.3985 178.2666 53 S 4.1435 8.0159 114.0543 61.5215 62.8160 175.8336 54 D 4.2861 8.1376 121.3254 56.8661 40.8528 178.2054 55 A 3.9583 7.9893 121.1471 55.1194 18.4538 179.8560 56 V 3.5324 7.9003 116.7692 66.3540 31.6059 178.3689 57 S 4.2612 8.3862 115.2088 61.5065 62.6286 177.0912 58 G 3.5465 8.3152 108.5285 47.9367 0.0000 175.2618 59 M 4.0112 8.0975 120.1307 58.5718 32.5851 178.1743 60 I 3.9186 7.7819 119.9614 64.4709 37.1481 178.2467 61 C 4.2344 8.2904 114.4625 61.0871 29.4979 175.2531 62 E 4.3247 8.0069 119.8503 57.2279 30.7266 176.5431 63 N 4.9512 7.7951 116.7684 51.0765 39.1410 172.6912 64 P 4.5301 0.0000 0.0000 63.6295 32.3016 178.7804 65 G 3.7830 8.3145 107.8468 48.4587 0.0000 175.6670 66 L 4.0354 8.1636 120.0766 56.8356 41.6811 178.3693 67 I 4.5547 7.5235 109.7679 60.2654 38.2568 175.8677 68 S 4.2815 7.6772 116.4530 57.4225 63.7412 173.4197 69 A 2.5800 7.8781 124.0740 53.1925 18.2817 178.2229 70 G 3.9556 8.4109 109.1591 45.9168 0.0000 174.3820 71 G 4.3960 7.5624 116.4170 44.9098 0.0000 175.8358 *73 C 4.4914 8.6376 123.4527 58.9197 29.5830 172.8843 74 Y 4.1777 7.7557 121.6783 58.5855 39.1086 175.1677 75 T 3.3399 7.6128 114.9982 61.9306 69.2457 172.5324 76 N 4.2957 8.3876 120.0032 56.3673 38.5137 177.7161 77 R 3.8632 7.8115 119.7668 59.4717 30.1880 178.7116 78 R 3.9144 7.6082 116.8400 59.3926 30.0094 178.6255 79 M 3.9686 8.0234 117.8277 58.5579 32.1233 178.0682 80 A 3.9499 8.4456 121.0649 55.1726 18.5722 179.4315 81 A 3.9366 8.0961 119.2588 55.3860 18.3437 179.5019 82 C 4.0653 8.3604 117.3321 62.6209 31.7241 175.6057 83 L 3.9745 8.1334 120.8422 57.8352 41.1162 179.4431 84 R 3.9118 8.2537 118.6476 59.6745 29.9460 178.2941 85 D 4.5111 8.3967 118.7027 57.2164 40.8560 178.7038 86 G 3.8535 8.3714 106.5775 48.1317 0.0000 175.1836 87 E 3.9808 8.3048 122.0914 58.7556 29.6384 178.8799 88 I 3.6603 8.1078 120.1689 64.4226 37.2441 178.5224 89 V 3.6367 8.0636 119.1784 66.0445 31.4069 177.7605 90 L 3.9388 8.0482 120.0227 58.0157 41.8820 178.9500 91 R 3.5176 8.0121 118.7954 59.5855 29.9807 178.2418 92 Y 3.6546 7.6392 116.4085 60.5986 37.7785 178.4690 93 V 3.3807 7.7731 119.7256 66.1078 31.5276 178.2473 94 T 3.9442 7.8167 109.5012 64.7753 68.5000 176.2162 95 Y 4.2649 7.8634 119.4032 61.0411 38.0545 178.3176 96 A 4.0531 7.9839 122.9714 54.4813 18.0689 179.4855 97 L 4.2403 7.8111 117.9021 58.1717 42.2641 178.6169 98 L 4.1467 8.0453 119.4760 58.0673 42.4151 178.4684 99 A 4.3060 8.5457 120.3717 52.4450 18.1504 178.2947 100 G 4.1132 8.1846 103.9331 45.0947 0.0000 173.0145 101 D 4.6339 7.5654 116.0553 51.6714 44.0829 175.7448 102 A 3.9112 8.6480 126.8367 53.4926 18.5947 179.7454 103 S 4.0437 8.4346 114.0866 61.5136 62.8409 177.0524 104 V 3.6499 7.7452 122.2264 64.4179 31.0074 178.0204 105 L 3.8349 7.7236 120.4509 57.7205 42.1024 178.5494 106 E 3.8697 8.2967 118.7393 59.6433 29.2376 179.2299 107 D 4.2931 8.2891 117.7484 56.8860 41.0589 177.7077 108 R 4.2779 7.6436 115.4776 56.4130 31.1444 175.8069 109 C 4.2260 7.4052 114.8339 60.6861 33.5358 174.9356 110 L 3.9736 7.8495 119.2011 56.8760 41.5677 176.7287 111 N 4.4440 7.8381 118.0106 55.0619 38.9694 174.9621 112 G 3.9825 8.8668 115.0707 45.1780 0.0000 174.6417 113 L 3.6644 7.6538 121.1107 57.8044 41.9684 178.5494 114 K 3.8672 7.9046 119.1033 59.7766 31.8427 178.4476 115 E 4.0815 8.0740 118.1938 59.5177 29.4400 179.2809 116 T 3.9236 7.9452 115.8196 66.9802 68.5806 176.3378 117 Y 4.4647 8.2379 118.7907 61.3591 37.4212 178.4180 118 M 4.1001 8.7349 119.8739 58.4642 31.8833 178.7047 119 A 4.0969 8.1258 119.8778 55.0118 18.6438 179.1654 120 L 4.2692 8.0646 115.9342 55.3206 41.8891 178.1150 121 G 3.8192 7.5670 105.3445 45.6977 0.0000 173.4754 122 V 3.4691 7.5993 120.1818 61.2462 31.7844 174.5477 123 P 4.3616 0.0000 0.0000 62.6906 31.8413 177.0281 124 I 3.7755 8.3151 125.0345 63.8293 37.3019 176.3995 125 P 4.2914 0.0000 0.0000 65.7977 31.1359 178.8256 126 S 4.1084 8.0310 113.1538 61.4746 62.8750 176.2819 127 A 4.0472 8.0224 123.4785 55.3408 18.0984 179.7196 128 I 3.7354 8.2380 118.6883 64.4652 37.0903 178.6579 129 R 3.8633 8.0278 119.1252 59.3160 29.9369 178.3248 130 A 3.9861 8.0604 120.6063 55.2455 18.2891 179.7145 131 V 3.6860 7.9433 116.6276 66.4317 31.7262 178.4592 132 S 4.0721 8.2983 114.8800 61.5495 62.5785 176.8455 133 I 3.6784 7.9809 122.6770 64.6159 36.8897 178.3250 134 M 3.9766 7.9839 119.5728 58.0187 31.6585 178.5776 135 K 2.4800 7.6325 119.6293 58.9363 32.3207 178.4124 136 A 3.8389 7.5071 120.4816 55.2326 18.2839 179.2996 137 S 3.8437 8.0114 111.1700 61.5916 62.4628 176.2853 138 A 4.2201 8.3371 123.5871 55.2750 18.1698 179.7250 139 V 3.5543 7.9956 116.7163 66.0080 31.4842 177.9974 140 A 4.0105 7.8457 121.7766 54.6883 18.3234 179.6680 141 F 4.2743 8.0209 116.1917 60.6873 38.7305 177.9373 142 I 3.8070 7.8637 118.6076 64.4939 37.1116 177.6441 143 N 4.5438 8.2260 113.9504 52.7628 38.8774 174.4303 144 N 4.2270 7.8933 117.8538 55.2575 37.8741 174.2641 145 T 4.4046 8.0315 104.1207 60.6857 69.0396 173.6786 146 A 3.8367 7.5973 126.5018 52.1786 18.8805 179.1866 147 S 4.3518 8.6338 117.5102 60.5671 63.2299 175.2986 148 K 4.4585 7.8482 116.8370 55.9028 33.1750 176.0418 149 R 4.5627 7.6029 119.9566 55.0783 33.0165 174.2466 150 K 4.8414 8.5846 124.3811 54.9026 34.4223 175.6467 151 I 4.5571 8.9623 121.2583 59.6243 40.1692 175.2175 152 E 4.4091 8.8467 125.3545 55.4954 29.9322 175.7324 153 T 4.7661 8.0613 112.8758 58.6378 72.1950 171.8479 154 P 4.3569 0.0000 0.0000 62.4234 31.8949 176.7879 155 Q 4.1060 8.7377 121.3259 55.2657 29.3948 177.2321 156 G 3.8710 7.2840 107.0344 45.8676 0.0000 170.0179 157 D 4.9158 8.3372 118.6711 52.8210 43.3978 176.2457 158 C 4.8116 8.5055 122.8132 59.3011 29.4523 175.6434 159 A 3.9640 8.4255 123.9988 55.5102 17.8115 180.4068 160 A 3.9133 7.9365 118.4798 55.3481 18.4708 179.7213 161 L 3.9317 7.8813 116.7958 57.7517 41.6800 179.4105 162 A 4.0294 8.3540 121.1144 55.3131 18.2623 179.8524 163 S 4.0266 8.2728 113.8464 61.5835 62.5488 176.5938 164 E 3.6029 8.2772 121.7166 59.0860 29.2759 178.5411 165 A 4.1921 8.3516 121.3515 55.3500 18.4223 179.7593 166 G 3.7720 8.4298 104.5743 48.0791 0.0000 175.9643 167 S 4.1333 8.1480 116.7128 61.4590 62.8155 176.3538 168 Y 4.3844 7.4574 120.2598 60.9350 37.6200 178.2069 169 F 4.2364 8.1645 118.8489 60.7047 38.9319 177.4379 170 D 4.4786 8.5807 118.6772 57.6999 40.5236 178.7603 171 M 4.0815 8.3577 119.0686 58.1471 31.6734 178.6991 172 A 3.9536 7.6615 119.6530 55.0904 18.9955 179.1817 173 A 4.1472 8.0195 119.2389 55.5686 18.4813 179.9961 174 S 4.0972 8.4241 113.6133 61.7551 62.6682 176.8288 175 A 4.1147 8.1294 122.5787 54.7552 18.1119 178.9706 176 L 4.2998 7.5553 116.0485 56.4863 42.1698 177.1026 177 R 4.1291 7.4977 120.6332 56.4199 29.9850 176.2334 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 4.43 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.55 0.00 2 L 8.37 4.54 0.00 1.76 1.59 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 3 D 9.00 5.09 0.00 3.03 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 4 A 8.22 3.68 0.34 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 5 F 7.72 4.05 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 6 S 8.91 4.20 0.00 4.03 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.25 3.83 0.00 1.95 1.94 0.00 1.51 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.47 7.81 8 A 7.63 3.98 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 9 V 7.86 3.51 2.21 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 1.05 0.00 0.00 0.95 0.00 0.00 10 V 8.10 3.56 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 0.96 0.00 0.00 0.93 0.00 0.00 11 S 8.01 4.09 0.00 3.94 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.16 3.83 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 13 D 8.44 4.21 0.00 2.81 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 14 Q 7.91 4.00 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.65 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 15 K 7.25 4.40 0.00 1.76 1.84 0.00 2.00 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.45 7.81 16 T 7.93 3.46 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 1.22 0.00 0.00 17 G 7.98 4.29 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 18 Y 8.60 4.18 0.00 2.92 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 19 I 8.29 4.51 1.91 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 1.37 0.54 0.96 0.00 0.00 20 G 9.34 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 0.00 0.00 0.00 21 G 9.09 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 22 A 9.04 4.04 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 23 E 8.15 3.96 0.00 2.21 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 2.42 2.48 0.00 24 L 8.00 4.14 0.00 1.94 1.76 0.96 0.68 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 25 A 7.83 3.99 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 26 A 7.61 4.00 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 27 L 7.57 4.00 0.00 2.12 2.03 1.08 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.78 4.10 0.00 1.97 1.93 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.69 7.81 29 T 8.07 3.97 4.46 0.00 0.00 0.00 0.00 0.00 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 30 Y 8.20 4.02 0.00 3.02 3.13 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 31 I 8.24 3.91 2.18 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 1.70 1.29 0.99 0.00 0.00 32 A 7.95 4.11 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 33 N 7.89 4.79 0.00 2.63 2.73 0.00 0.00 6.79 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 34 G 7.96 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 N 8.11 4.36 0.00 2.74 2.88 0.00 0.00 7.14 7.07 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 36 K 7.97 3.96 0.00 1.90 1.84 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.48 7.81 37 R 7.79 3.87 0.00 1.76 2.02 0.00 3.04 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 38 L 8.01 4.00 0.00 1.90 1.72 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.20 4.33 0.00 2.89 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 40 A 8.39 4.00 1.40 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 41 V 7.93 3.59 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 1.02 0.00 0.00 1.01 0.00 0.00 42 N 8.45 4.25 0.00 2.98 2.98 0.00 0.00 7.15 8.23 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 43 A 8.01 3.99 1.50 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 44 I 7.51 3.93 1.92 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 1.74 0.96 1.00 0.00 0.00 45 T 7.97 3.87 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 1.24 0.00 0.00 46 S 8.08 4.25 0.00 3.85 3.88 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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 *73 C 8.64 4.49 0.00 3.18 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 74 Y 7.76 4.18 0.00 3.07 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 T 7.61 3.34 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 0.74 0.00 0.00 76 N 8.39 4.30 0.00 2.69 2.87 0.00 0.00 6.62 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 77 R 7.81 3.86 0.00 1.84 1.88 0.00 3.18 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 78 R 7.61 3.91 0.00 2.07 1.96 0.00 3.34 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 79 M 8.02 3.97 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.60 0.00 80 A 8.45 3.95 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 89 V 8.06 3.64 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 1.04 0.00 0.00 1.03 0.00 0.00 90 L 8.05 3.94 0.00 1.99 1.80 1.19 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.01 3.52 0.00 1.75 1.62 0.00 3.00 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.07 0.00 92 Y 7.64 3.65 0.00 2.94 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 93 V 7.77 3.38 1.83 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 0.59 0.00 0.00 0.43 0.00 0.00 94 T 7.82 3.94 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 1.24 0.00 0.00 95 Y 7.86 4.26 0.00 3.12 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.98 4.05 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 L 7.81 4.24 0.00 1.96 1.95 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0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 106 E 8.30 3.87 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 2.45 2.48 0.00 107 D 8.29 4.29 0.00 2.61 2.68 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 0.00 108 R 7.64 4.28 0.00 1.69 1.85 0.00 3.33 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 109 C 7.41 4.23 0.00 1.57 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 0.00 110 L 7.85 3.97 0.00 1.67 1.62 0.94 0.38 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 0.00 111 N 7.84 4.44 0.00 2.74 2.67 0.00 0.00 7.40 7.44 0.00 0.00 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 G 8.87 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 0.00 0.00 0.00 113 L 7.65 3.66 0.00 1.75 1.56 0.25 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 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7.60 3.47 1.58 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 -0.20 0.00 0.00 0.71 0.00 0.00 123 P 0.00 4.36 0.00 2.27 2.17 0.00 3.61 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 124 I 8.32 3.78 1.92 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 1.82 0.91 1.02 0.00 0.00 125 P 0.00 4.29 0.00 2.15 2.12 0.00 3.54 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 2.20 0.00 126 S 8.03 4.11 0.00 3.98 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 A 8.02 4.05 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 I 8.24 3.74 2.05 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 1.46 0.79 0.94 0.00 0.00 129 R 8.03 3.86 0.00 1.97 2.10 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 130 A 8.06 3.99 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 0.00 131 V 7.94 3.69 2.33 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 1.35 0.00 0.00 1.07 0.00 0.00 132 S 8.30 4.07 0.00 4.05 3.87 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 0.00 133 I 7.98 3.68 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 1.49 0.72 0.89 0.00 0.00 134 M 7.98 3.98 0.00 2.22 2.30 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.77 0.00 135 K 7.63 2.48 0.00 1.30 1.71 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.27 1.24 7.81 136 A 7.51 3.84 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 0.00 137 S 8.01 3.84 0.00 4.00 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 0.00 138 A 8.34 4.22 1.51 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 0.00 0.00 0.00 0.00 0.00 0.00 139 V 8.00 3.55 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 0.98 0.00 0.00 1.03 0.00 0.00 140 A 7.85 4.01 1.12 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 0.00 0.00 141 F 8.02 4.27 0.00 3.30 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 I 7.86 3.81 2.08 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.73 0.95 0.00 0.00 143 N 8.23 4.54 0.00 2.68 2.85 0.00 0.00 7.02 7.52 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 0.00 144 N 7.89 4.23 0.00 2.89 2.88 0.00 0.00 6.98 6.98 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 0.00 145 T 8.03 4.40 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 146 A 7.60 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 147 S 8.63 4.35 0.00 3.96 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 0.00 148 K 7.85 4.46 0.00 1.79 1.89 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.39 7.81 149 R 7.60 4.56 0.00 2.04 2.09 0.00 3.58 0.00 0.00 3.39 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.79 0.00 150 K 8.58 4.84 0.00 1.80 1.74 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.40 7.81 151 I 8.96 4.56 1.94 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 1.32 0.71 0.93 0.00 0.00 152 E 8.85 4.41 0.00 1.96 1.91 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 2.29 2.30 0.00 153 T 8.06 4.77 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 0.00 154 P 0.00 4.36 0.00 2.06 2.03 0.00 3.69 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 2.11 0.00 155 Q 8.74 4.11 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.11 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 156 G 7.28 3.87 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 0.00 0.00 0.00 157 D 8.34 4.92 0.00 2.58 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 0.00 158 C 8.51 4.81 0.00 2.99 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 0.00 159 A 8.43 3.96 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 0.00 160 A 7.94 3.91 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 0.00 161 L 7.88 3.93 0.00 1.85 1.74 0.95 0.99 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 0.00 162 A 8.35 4.03 1.40 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 0.00 163 S 8.27 4.03 0.00 3.96 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 E 8.28 3.60 0.00 2.00 2.02 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 1.86 2.00 0.00 165 A 8.35 4.19 1.52 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 0.00 166 G 8.43 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 0.00 0.00 0.00 167 S 8.15 4.13 0.00 3.95 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 0.00 168 Y 7.46 4.38 0.00 2.96 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 0.00 169 F 8.16 4.24 0.00 3.20 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 0.00 170 D 8.58 4.48 0.00 2.92 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 0.00 171 M 8.36 4.08 0.00 2.29 2.36 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.62 0.00 172 A 7.66 3.95 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 0.00 173 A 8.02 4.15 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 0.00 174 S 8.42 4.10 0.00 4.03 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 0.00 175 A 8.13 4.11 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 0.00 176 L 7.56 4.30 0.00 1.86 1.81 1.07 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 177 R 7.50 4.13 0.00 2.00 1.86 0.00 3.21 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 * Residues marked with a * may have inaccurate shift predictions.