NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.1655 8.1693 120.6152 53.9646 42.9657 176.5074 4 P 4.3057 0.0000 0.0000 59.0233 32.5173 173.3773 5 P 4.1467 0.0000 0.0000 62.8208 32.6289 177.0754 6 Y 4.4091 8.0127 117.6187 58.7687 38.7050 174.5101 7 H 4.2794 8.6454 116.4947 57.1548 26.9813 175.2481 8 T 4.5862 7.8431 114.2082 60.8871 71.6321 172.2218 9 P 4.3133 0.0000 0.0000 63.1639 32.1160 175.5224 10 L 4.6707 8.8829 125.3461 52.4800 43.8655 175.0212 11 P 4.9718 0.0000 0.0000 60.9413 33.3439 176.8631 12 A 4.0493 8.7774 120.8515 55.4812 18.0889 179.3886 13 E 3.8991 8.2030 116.3684 60.0959 29.5663 179.7509 14 T 3.8682 7.7887 114.9794 66.3911 68.5258 176.5678 15 L 3.8802 7.8912 120.9201 58.0702 41.6442 179.8520 16 R 3.9476 8.2984 117.8638 59.2840 29.7615 179.0074 17 A 3.9877 7.7397 119.3966 54.7380 18.3808 178.6650 18 L 4.2648 7.4800 114.9798 54.4476 41.7598 177.3947 19 S 3.7852 7.7750 113.7511 59.2055 60.7451 170.4920 20 I 3.2650 7.5721 122.5570 59.2069 36.9380 174.3988 21 P 4.5376 0.0000 0.0000 61.1080 32.6629 175.3090 22 A 4.1089 8.2641 121.5511 52.0193 18.5965 175.5904 23 P 4.5042 0.0000 0.0000 62.4679 31.6199 176.2850 24 W 4.6124 7.4276 120.0959 57.2846 29.0181 176.1540 25 T 4.7001 8.9240 110.5666 60.9607 69.9327 172.9519 26 F 5.3180 8.5295 125.3218 57.1824 42.5598 173.1290 27 G 4.7180 9.4874 112.9122 44.7415 0.0000 171.0035 28 L 5.4000 9.6649 119.5498 52.8864 46.2088 175.5855 29 A 5.0728 8.5806 124.3597 50.9482 21.9847 175.2455 30 D 4.4588 7.7938 118.7763 53.4442 45.2847 173.5180 31 R 4.8005 7.6462 118.2876 53.8938 33.2574 175.2361 32 V 4.1311 8.5610 125.0661 63.3316 32.2451 175.6974 33 R 4.6775 9.2784 126.6384 54.2911 32.3249 177.0621 34 F 4.0509 9.1294 123.2366 61.5713 39.2893 177.5504 35 G 3.7361 8.2020 106.4768 47.3898 0.0000 173.5029 36 E 4.2497 8.1564 119.0784 56.4746 30.1367 175.8554 37 L 4.6253 7.3660 120.2507 53.7325 42.7573 176.7283 38 D 4.5839 8.7993 122.9108 51.9625 41.3457 176.6889 39 A 4.0868 8.4561 121.0963 54.2664 18.2878 178.1411 40 I 4.2888 8.2646 108.1049 60.3793 37.8508 176.4047 41 G 3.8644 8.6345 108.0782 46.0210 0.0000 173.3404 42 H 4.9555 7.7774 116.0854 53.2477 30.8295 174.5512 43 V 3.9236 8.3121 122.2134 63.1124 31.5071 175.8889 44 N 4.6039 8.9319 125.1734 52.4042 38.5642 175.8867 45 H 4.1210 8.5393 114.7626 58.3185 29.0479 177.4881 46 T 3.6123 7.9055 110.1188 63.3942 69.5485 176.6415 47 A 3.4447 7.5552 124.2483 55.2776 18.2287 178.8929 48 Y 2.7744 6.9861 114.2284 60.9648 37.8717 179.0754 49 L 3.7779 6.9395 117.9904 57.6965 41.5911 179.8273 50 R 3.8977 7.6880 118.0890 58.9311 29.9605 179.0931 51 W 4.4566 8.0453 119.2367 60.1136 29.0030 178.2285 52 Y 4.1561 7.5458 116.4642 60.9149 36.8118 178.0299 53 E 4.0026 8.3098 120.3475 59.3893 29.5303 179.0115 54 S 4.2886 8.4024 114.7804 61.4287 63.2766 176.1590 55 F 4.2622 8.5608 123.3618 61.4243 39.1581 177.0514 56 R 4.2643 8.3279 117.7592 59.7950 29.4547 178.4380 57 L 4.7275 7.9815 118.5014 57.1084 41.6043 178.0243 58 P 4.3825 0.0000 0.0000 65.7239 31.3416 178.0252 59 F 3.5696 7.9027 120.1881 61.1549 39.2497 177.2359 60 L 4.0254 8.5404 118.5813 57.2373 41.3674 179.4641 61 K 4.3769 8.1820 120.4713 58.9113 31.9830 178.7985 62 A 3.9796 8.1024 120.2670 54.6803 18.5903 178.8179 63 R 4.0102 7.8036 114.7734 55.7704 30.0408 176.6878 64 H 3.9521 7.4737 114.8032 56.9172 26.6218 176.4942 65 V 3.6693 7.7105 121.5101 65.5053 31.8886 175.9660 66 T 4.4397 7.2347 111.6610 60.8864 69.8625 172.8937 67 D 4.7729 8.2375 123.8642 52.5978 40.2455 175.9402 68 Y 3.5839 7.6456 116.5101 59.0335 36.4982 170.3971 69 G 4.3329 8.6723 111.7822 44.2693 0.0000 172.8277 70 P 4.3217 0.0000 0.0000 65.2970 31.8452 176.8739 71 T 4.5150 7.8224 107.0829 61.2054 68.9487 174.6106 72 S 4.5242 7.3950 116.7452 57.0799 64.2394 172.0863 73 P 3.8789 0.0000 0.0000 62.4380 32.0538 175.6303 74 R 4.1811 8.6729 122.8403 56.1348 31.2561 174.9842 75 L 4.9728 8.5345 126.5375 53.6649 43.2744 176.0659 76 V 4.4191 8.7517 123.9458 60.7675 34.5886 174.0735 77 L 4.5561 8.6581 130.2475 55.1209 42.0284 176.2591 78 K 4.4099 9.1917 125.9091 58.0286 33.6451 176.6883 79 Q 4.6540 7.5369 117.7334 55.3271 32.1860 173.3383 80 V 5.2466 8.3953 117.2548 60.1037 36.3188 174.2173 81 H 5.0705 8.8300 116.0026 54.5317 32.1693 171.9150 82 C 4.9910 8.4253 119.5820 58.1697 34.3739 172.8721 83 T 4.3928 8.5651 115.7070 59.8982 71.8753 172.7919 84 Y 4.3478 8.2115 119.8795 56.6504 39.6181 174.8076 85 L 4.5215 8.9605 125.2021 55.7346 43.3215 177.5619 86 A 4.5998 7.5679 118.9468 50.5291 22.0800 175.8779 87 E 4.2559 8.4589 121.1117 55.4706 32.2339 176.4358 *89 G 3.7572 8.6510 109.1580 46.0898 0.0000 174.2498 *91 G 3.9339 8.7476 107.6179 44.4465 0.0000 172.7379 92 E 4.2903 7.8014 119.5069 56.2475 30.7463 175.9507 93 D 5.2319 8.7689 123.7315 54.0242 42.9569 174.9190 94 Y 5.4059 8.2608 119.0652 55.7718 42.3735 173.5749 95 V 4.9953 9.3173 120.2029 61.3094 34.7383 174.0904 96 I 5.1222 9.3030 129.2667 60.1978 39.1599 174.6899 97 T 5.0146 7.9955 117.0817 59.0997 71.3668 173.4530 98 G 3.9200 7.9562 109.6880 44.8031 0.0000 171.4939 99 R 4.8282 8.2251 118.1023 54.5774 33.4120 173.9837 100 V 4.2866 8.4611 119.2399 61.5504 31.8825 175.5291 101 S 4.5064 8.8417 122.5224 58.9313 64.5017 173.7583 102 N 4.6629 7.5663 116.7785 52.8048 41.3367 172.7661 103 F 5.5372 8.3024 117.9268 55.4808 41.2498 174.1194 104 R 4.9585 8.9668 121.8039 55.1268 33.3254 175.3347 105 T 4.1813 8.8306 114.0766 67.5156 68.7429 175.8892 106 T 5.1776 7.8782 108.9009 60.9455 70.6593 172.9900 107 S 5.2508 8.1986 115.4427 58.4763 66.4999 172.6808 108 F 5.3617 8.6060 114.8027 56.7100 41.8227 172.6119 109 T 5.6483 9.0713 115.7747 60.7676 72.5925 172.8656 *111 E 4.4316 8.4487 119.6818 56.7867 31.2540 175.4421 112 F 5.0573 8.9358 119.7494 56.0329 43.9117 173.4389 113 A 4.8048 8.1103 120.9074 50.6716 23.2127 174.6002 114 C 5.1806 8.6301 119.7548 57.3865 34.5717 172.7265 115 W 5.0869 9.3014 127.0012 54.8343 31.2475 175.1698 116 R 4.5764 9.3558 127.2845 56.3745 30.8257 175.7624 117 L 4.6024 8.8968 127.9326 53.3177 40.3349 177.2394 118 G 4.3176 8.4869 118.0799 45.0606 0.0000 172.1240 *119 D 4.4268 8.9799 117.8943 55.1705 40.5189 173.0654 120 A 4.8867 7.7972 120.1826 50.2190 21.6710 174.7856 121 V 4.7643 8.1991 120.4389 62.0586 32.9290 175.0778 122 E 4.8244 9.0523 127.8157 54.7733 33.4892 173.4290 123 C 4.3880 8.8865 127.8739 59.3793 31.6223 173.0455 124 T 4.2950 8.7458 117.4892 63.0274 70.0706 174.4235 125 S 4.7317 7.0231 113.8732 58.2421 65.6619 174.1433 126 E 5.0721 8.2736 124.1986 54.8842 33.5199 174.8688 127 G 4.4121 8.6188 107.6064 45.6463 0.0000 171.6826 128 S 5.3594 9.0076 113.4797 57.2167 67.1914 172.8233 129 A 5.1098 8.5737 120.5337 50.6812 22.8933 175.0559 130 V 4.6135 8.8234 121.4758 61.0740 33.9959 174.5314 131 V 4.6560 8.1384 127.8163 60.9814 34.1180 174.3468 132 V 4.7672 8.8847 127.3875 61.2018 34.6520 173.9472 133 L 5.1436 8.6668 125.7719 53.1057 43.8092 175.5474 134 L 5.3616 8.7108 123.5894 52.5924 45.6171 175.6562 135 N 4.9226 9.3837 120.3407 53.3521 38.8467 176.8290 136 R 3.9136 9.0248 123.5095 58.8416 30.3826 177.0400 137 D 4.5848 8.1834 115.5643 53.0532 39.3982 177.3211 138 G 3.9694 8.6179 109.2601 45.9735 0.0000 175.2494 139 S 4.2646 8.5565 113.6508 58.3947 64.2202 173.8076 140 G 3.9877 7.2825 107.1579 44.4522 0.0000 173.9222 141 R 4.6971 8.5189 122.7380 56.3911 31.2668 175.6213 142 Y 4.9214 8.6187 122.3962 55.0642 41.4369 173.4027 143 P 4.8210 0.0000 0.0000 62.4917 32.4990 176.2048 144 I 3.9209 8.8444 124.1808 61.2203 37.6532 174.5450 145 P 4.3858 0.0000 0.0000 62.6748 32.1281 177.2029 146 E 3.9084 8.7773 120.1863 59.5966 29.3431 179.6641 147 A 3.9849 7.9202 120.3506 54.5433 18.4302 179.9015 148 G 3.3604 7.5706 104.1677 47.9829 0.0000 175.8604 149 R 3.0677 7.4682 120.7318 58.6524 29.9710 179.0207 150 A 3.9467 7.8563 120.3199 55.2324 18.3690 179.9352 151 S 4.0153 7.7511 113.6471 61.6309 62.9981 176.6673 152 F 4.7097 7.7216 121.8633 60.0306 38.4271 178.0443 153 V 4.2574 8.0088 118.8301 65.9213 31.2455 178.1405 154 T 4.0541 8.1201 108.1029 63.7390 68.9467 175.7011 155 E 4.4818 8.5661 120.2503 57.8011 29.6229 177.2433 156 D 4.7718 8.2519 116.9399 53.6958 41.0288 177.5827 157 G 3.8787 8.0247 106.6521 45.3141 0.0000 173.4929 158 V 3.9185 7.2392 118.4282 61.4444 31.8368 175.6005 159 L 4.3672 8.4260 127.5782 54.5886 42.1259 177.4259 160 A 3.9571 8.6326 125.0992 54.7239 18.8415 177.4480 161 A 4.1202 7.8650 122.5273 52.5362 18.5089 177.1109 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 3 L 8.17 4.17 0.00 1.53 1.44 0.95 0.67 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 4 P 0.00 4.31 0.00 2.13 1.96 0.00 3.56 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.91 0.00 5 P 0.00 4.15 0.00 2.14 2.03 0.00 3.65 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.93 0.00 6 Y 8.01 4.41 0.00 2.86 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 7 H 8.65 4.28 0.00 3.37 3.38 0.00 5.60 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 T 7.84 4.59 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 1.18 0.00 0.00 9 P 0.00 4.31 0.00 1.62 1.15 0.00 3.60 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.16 0.00 10 L 8.88 4.67 0.00 1.60 1.56 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.97 0.00 2.29 2.14 0.00 3.83 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 2.02 1.76 0.00 12 A 8.78 4.05 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 13 E 8.20 3.90 0.00 2.05 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 2.39 2.47 0.00 14 T 7.79 3.87 4.33 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 1.16 0.00 0.00 15 L 7.89 3.88 0.00 1.86 1.65 1.13 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 16 R 8.30 3.95 0.00 1.90 1.95 0.00 3.28 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.79 0.00 17 A 7.74 3.99 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.48 4.26 0.00 1.70 1.63 0.86 0.92 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 19 S 7.77 3.79 0.00 3.98 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 20 I 7.57 3.26 1.61 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.05 -0.14 0.00 0.00 21 P 0.00 4.54 0.00 2.28 2.21 0.00 2.99 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.11 0.00 22 A 8.26 4.11 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 23 P 0.00 4.50 0.00 1.84 1.92 0.00 3.15 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 0.91 1.53 0.00 24 W 7.43 4.61 0.00 3.40 3.21 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 25 T 8.92 4.70 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 26 F 8.53 5.32 0.00 3.42 3.25 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 27 G 9.49 4.72 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 28 L 9.66 5.40 0.00 1.87 1.71 0.99 1.07 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 29 A 8.58 5.07 1.18 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 0.00 0.00 0.00 30 D 7.79 4.46 0.00 2.47 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 0.00 0.00 0.00 31 R 7.65 4.80 0.00 1.47 1.42 0.00 3.15 0.00 0.00 3.11 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.78 0.00 32 V 8.56 4.13 2.26 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 0.96 0.00 0.00 1.17 0.00 0.00 33 R 9.28 4.68 0.00 1.97 1.89 0.00 3.28 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 34 F 9.13 4.05 0.00 3.13 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 35 G 8.20 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 0.00 0.00 0.00 36 E 8.16 4.25 0.00 2.22 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 2.30 2.32 0.00 37 L 7.37 4.63 0.00 1.33 1.41 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.80 4.58 0.00 2.77 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 39 A 8.46 4.09 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 8.26 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 1.23 0.60 0.87 0.00 0.00 41 G 8.63 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 42 H 7.78 4.96 0.00 3.19 3.19 0.00 5.65 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.31 3.92 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 0.11 0.00 0.00 1.00 0.00 0.00 44 N 8.93 4.60 0.00 2.84 2.82 0.00 0.00 6.38 7.87 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 45 H 8.54 4.12 0.00 2.50 3.11 0.00 5.45 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 T 7.91 3.61 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 0.84 0.00 0.00 47 A 7.56 3.44 0.55 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 48 Y 6.99 2.77 0.00 2.68 2.39 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 49 L 6.94 3.78 0.00 1.74 1.62 0.91 0.92 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 50 R 7.69 3.90 0.00 1.77 1.96 0.00 3.27 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 51 W 8.05 4.46 0.00 3.12 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 52 Y 7.55 4.16 0.00 2.66 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 53 E 8.31 4.00 0.00 2.05 2.17 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 2.35 2.39 0.00 54 S 8.40 4.29 0.00 4.19 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 55 F 8.56 4.26 0.00 3.44 3.46 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 0.00 56 R 8.33 4.26 0.00 2.32 2.28 0.00 3.50 0.00 0.00 3.59 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.27 0.00 57 L 7.98 4.73 0.00 1.74 1.61 0.86 0.74 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0.00 135 N 9.38 4.92 0.00 2.95 3.05 0.00 0.00 7.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 R 9.02 3.91 0.00 1.84 2.03 0.00 3.42 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 137 D 8.18 4.58 0.00 2.79 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 G 8.62 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 0.00 139 S 8.56 4.26 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 0.00 140 G 7.28 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 0.00 141 R 8.52 4.70 0.00 1.77 1.96 0.00 3.38 0.00 0.00 3.33 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 142 Y 8.62 4.92 0.00 3.12 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 P 0.00 4.82 0.00 2.13 2.07 0.00 3.48 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.93 0.00 144 I 8.84 3.92 1.97 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.93 0.73 0.00 0.00 145 P 0.00 4.39 0.00 2.10 1.97 0.00 3.58 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 146 E 8.78 3.91 0.00 1.95 1.95 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 2.38 2.35 0.00 147 A 7.92 3.98 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 0.00 148 G 7.57 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 R 7.47 3.07 0.00 1.91 1.94 0.00 3.21 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 150 A 7.86 3.95 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 0.00 151 S 7.75 4.02 0.00 3.77 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 F 7.72 4.71 0.00 2.69 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 0.00 153 V 8.01 4.26 2.28 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 1.37 0.00 0.00 1.27 0.00 0.00 154 T 8.12 4.05 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 1.23 0.00 0.00 155 E 8.57 4.48 0.00 2.06 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 2.42 2.50 0.00 156 D 8.25 4.77 0.00 3.01 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 0.00 157 G 8.02 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 V 7.24 3.92 2.38 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 1.19 0.00 0.00 0.96 0.00 0.00 159 L 8.43 4.37 0.00 1.67 1.60 0.92 0.89 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 0.00 160 A 8.63 3.96 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 0.00 161 A 7.86 4.12 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 * Residues marked with a * may have inaccurate shift predictions.