NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 V 4.0628 8.0549 117.9017 60.5540 31.5330 174.5061 2 K 4.2262 7.9932 126.3843 51.5666 33.4553 176.1715 3 I 3.8355 8.2446 118.8839 62.7900 38.8832 175.2104 4 Y 4.5602 7.0219 117.4217 56.0656 38.1537 175.2345 5 T 4.1326 8.5639 115.1614 61.0471 70.1962 176.1801 6 K 4.1035 8.3350 119.3009 56.5447 30.0969 177.3072 7 N 4.3624 8.1112 116.6707 55.9966 38.6607 176.0621 8 G 4.3817 8.0344 105.1574 45.3873 0.0000 174.9773 9 D 4.3625 7.9977 120.4739 56.5430 40.8493 177.3342 10 K 4.2849 8.0808 116.3057 56.1540 32.5715 177.1876 11 G 4.0571 8.6201 108.8758 44.9671 0.0000 173.0792 12 Q 5.0451 7.5841 118.0683 54.7454 31.8867 174.2905 13 T 4.8718 8.5601 114.5735 60.9920 71.4394 172.7684 14 R 4.8343 8.5794 124.9855 55.8256 31.3403 176.6434 15 I 4.5208 7.8069 116.8044 59.2981 40.2243 175.0140 16 I 3.6936 7.4706 120.8751 62.8438 37.5116 177.1881 17 G 4.0376 8.3842 110.3975 45.8775 0.0000 172.5998 18 K 4.2696 8.2688 116.0991 57.4344 33.0180 177.2843 19 Q 4.3347 7.9155 119.3111 55.7301 29.8037 175.0242 20 I 4.9251 8.2745 116.4007 59.3367 39.9637 174.6734 21 L 4.9349 8.7993 123.5640 52.7895 46.3165 175.7181 22 Y 4.5194 8.4656 118.0638 58.1109 38.5815 177.8547 23 K 4.0608 9.0670 122.1137 58.9813 32.2929 177.9095 24 N 4.6493 8.0648 113.9648 52.4769 38.0349 175.2053 25 D 4.4328 7.9555 119.7299 54.4559 42.9338 175.1454 26 P 4.1875 0.0000 0.0000 66.1478 30.9612 178.8305 27 R 3.8933 8.5645 118.5012 59.3955 30.0907 178.6800 28 V 2.6994 7.6833 117.3604 65.5791 31.4479 177.6580 29 A 3.8637 8.1620 120.5930 54.7784 18.2178 179.5007 30 A 3.9076 7.7926 119.5660 55.5776 18.6348 179.4249 31 Y 4.3971 7.9322 115.8290 59.4359 38.2411 178.1254 32 G 3.5171 7.7642 108.3121 47.8338 0.0000 175.6292 33 E 3.9886 8.5287 121.4515 59.0248 29.3630 179.4960 34 V 3.6206 7.7986 118.3183 66.0008 31.4594 177.6508 35 D 4.1832 8.1757 117.8157 57.1857 41.0491 177.7400 36 E 3.9340 8.3361 119.9342 59.1699 29.5934 178.4518 37 L 4.0255 8.3036 120.7220 58.2287 42.1843 178.3550 38 N 4.3442 8.4595 117.1483 56.9682 38.7827 176.8697 39 S 4.1838 8.3319 116.5728 61.4055 62.9340 176.4392 40 W 4.0772 8.4864 131.0906 60.4930 30.3624 178.1069 41 V 3.7056 8.5067 118.7262 65.8906 31.0664 178.1424 42 G 3.6439 8.1837 105.4402 48.0133 0.0000 174.8345 43 Y 3.8003 7.8446 121.2608 60.5545 38.9971 178.0761 44 T 3.6339 7.8603 116.7337 66.4854 68.5052 176.5176 45 K 3.9581 8.3409 122.0527 59.2926 31.9766 178.4767 46 S 4.2344 7.4661 112.6036 59.8689 63.1426 175.2199 47 L 4.1995 7.2212 121.3756 53.9179 42.2016 176.8148 48 I 3.7629 6.8583 120.5909 61.5424 37.8847 174.8486 49 N 5.1298 8.8957 120.9613 50.9259 40.2358 175.0142 50 S 4.2003 8.6166 111.4472 61.5996 63.1386 175.1852 51 H 4.3192 8.3307 118.0743 57.7407 28.8520 176.1205 52 T 4.4593 7.7990 107.7268 61.0633 69.1856 175.4288 53 Q 3.9949 8.1956 125.5521 59.7959 28.9701 179.1356 54 V 3.7896 7.8267 109.5487 63.7632 31.3738 176.6794 55 L 4.5386 8.0487 118.7234 55.5942 42.5671 178.8009 56 S 4.1712 8.4648 114.2430 61.5296 62.3572 175.6164 57 N 4.4514 8.2646 118.9594 56.3980 38.3465 177.1263 58 E 4.4403 8.4002 118.4064 59.3913 29.8390 179.0545 59 L 4.2197 7.8940 119.2172 57.6540 41.7050 178.9230 60 E 4.0391 8.2786 118.9785 59.1795 29.6040 178.4142 61 E 3.9371 8.5138 119.4589 59.3886 29.6212 178.8146 62 I 3.9668 8.2567 119.9169 64.6671 37.3138 178.2815 63 Q 4.1378 8.2695 118.6865 59.1795 28.4302 179.1591 64 Q 4.1643 8.0140 118.5189 59.1141 28.7367 178.8073 65 L 4.0158 8.0817 119.9495 57.7405 41.5461 179.6226 66 L 4.0122 8.3858 119.2077 57.5113 41.4825 179.4341 67 F 4.1175 8.1964 117.5519 60.6279 38.3365 177.3135 68 D 4.4255 8.0413 118.1960 57.5718 40.6422 178.6250 69 C 3.7930 8.0483 117.3432 62.7560 28.0995 176.4907 70 G 3.6201 8.1688 107.2511 47.8398 0.0000 174.8985 71 H 3.9837 8.1249 119.7696 59.5439 30.1716 176.7880 72 D 4.7115 7.8737 119.4583 57.3028 40.4149 178.7672 73 L 4.0608 7.7720 118.6691 57.5496 42.0491 178.2747 74 A 3.9176 8.1028 120.5715 53.4538 18.5348 176.5621 75 T 4.7131 7.4969 113.3183 60.7500 70.0852 172.9798 76 P 4.4912 0.0000 0.0000 62.2015 32.0558 177.6493 77 A 3.8426 8.6994 124.2458 54.4333 18.5628 178.1853 78 D 4.7143 7.8407 113.6297 52.9837 39.4073 175.7135 79 D 4.4135 8.0021 123.0021 54.8729 40.8025 177.5719 *80 E 4.0948 8.7646 123.8501 58.4089 29.9549 174.6641 81 R 4.3172 7.9714 114.8245 57.4766 30.8379 176.2278 82 H 4.9833 7.8130 113.0128 53.8854 32.3062 172.6837 83 S 4.6688 8.2922 116.9345 56.2283 66.4010 173.9364 84 F 4.9481 8.4387 123.2520 58.4150 39.1963 176.4980 85 K 4.5000 9.4864 125.5635 54.4894 33.7144 174.3304 86 F 4.4547 8.9059 120.2609 57.9393 39.7466 174.5710 87 K 4.5174 7.5913 127.4701 54.2930 34.0660 176.8814 88 Q 3.7982 9.3478 123.7208 59.3945 28.5916 177.6501 89 E 3.8258 8.3394 121.1786 61.1403 29.4357 180.0549 90 Q 3.9948 7.7093 119.1378 59.9816 28.6336 178.6438 91 P 4.5924 0.0000 0.0000 65.9456 31.2538 178.8439 92 T 4.2339 8.4396 114.6371 66.5088 68.3955 177.2314 93 V 3.7769 7.9713 120.3870 65.6014 31.3652 177.8154 94 W 4.2091 8.5099 128.2352 60.4934 30.4521 177.9174 95 L 3.5649 8.1683 118.8128 57.8225 41.0541 179.2965 96 E 3.8925 8.3790 118.6203 59.5715 29.2811 179.4009 97 E 3.9286 8.2917 118.6210 59.1224 29.4428 179.6202 98 K 3.2074 7.3294 118.6003 58.9629 32.0375 179.3184 99 I 3.5118 7.6575 120.3455 64.4691 37.0766 177.8766 100 D 4.2426 8.1827 119.8394 57.4965 40.7358 178.5176 101 N 4.1446 8.0521 117.3606 57.0851 38.4425 176.5560 102 Y 4.0122 7.8833 118.3923 61.1592 37.6412 178.4058 103 T 3.9110 8.3481 118.7663 67.2795 68.6168 176.9889 104 Q 4.1421 7.8475 121.6563 60.2197 28.2396 180.5681 105 V 3.8583 7.3968 120.2375 63.4058 31.7541 177.3148 106 V 3.9532 6.4507 110.6078 59.3133 32.4753 174.1454 107 P 4.3281 0.0000 0.0000 62.3904 31.7240 176.6179 108 A 4.1872 8.5152 125.8379 52.1501 19.0238 177.0846 109 V 4.5370 8.2141 117.3561 59.6885 34.7210 176.6285 110 K 4.0740 8.9513 125.5089 57.3334 31.6704 174.8363 111 K 4.8886 7.7314 116.2722 54.0202 34.7175 176.6904 112 F 4.6752 8.4609 121.3746 58.6685 39.8723 174.7635 113 I 4.9903 8.8363 115.9436 59.2472 39.7376 175.3666 114 L 4.1817 8.9499 125.2592 54.2886 42.1226 175.7153 115 P 3.9619 0.0000 0.0000 63.0888 30.4629 175.4596 116 G 4.0873 8.1602 112.0641 45.3740 0.0000 169.8643 117 G 4.1193 8.5038 108.2575 44.7076 0.0000 177.8208 118 T 4.1761 9.3686 119.2314 60.7220 70.5242 174.5210 119 Q 3.9669 8.4920 121.5596 59.2439 28.9161 178.0848 120 L 3.9077 7.8371 120.6169 58.0423 42.2943 178.4716 121 A 3.9713 8.1001 120.7818 55.3539 18.1618 179.8545 122 S 4.1426 8.3904 113.4297 61.7585 62.8712 176.7142 123 A 4.5331 8.5340 123.8645 55.4471 18.0324 179.7084 124 L 4.0001 8.4787 117.8439 58.2301 41.7481 179.4772 125 H 4.2627 8.3872 116.4195 58.5743 28.5605 177.9515 126 V 3.3257 8.0826 120.0303 65.7998 31.2212 177.7623 127 A 3.7775 8.2600 120.8123 55.1228 18.0430 179.3158 128 R 4.0807 8.0645 117.5315 60.0961 30.1124 178.6553 129 T 4.0902 7.6907 108.6788 64.3009 68.9808 177.0165 130 I 3.6482 7.9903 123.3284 64.3163 37.0635 178.3604 131 T 3.9551 8.2947 117.0764 66.8639 68.3646 176.8590 132 R 4.0196 8.0619 119.9249 59.0452 30.1426 179.0494 133 R 3.8190 8.1919 118.3799 59.3942 30.0332 178.2641 134 A 3.9834 8.2618 120.8371 55.2692 18.2951 179.0151 135 E 3.8859 8.6693 118.0433 59.6799 29.5735 179.2676 136 R 3.9179 8.0429 117.9130 59.3899 30.1017 178.8730 137 Q 3.9430 8.0565 119.0418 59.0895 28.9384 178.2735 138 I 3.7117 8.1473 121.3690 64.3046 37.1503 178.4922 139 V 3.5681 8.1472 119.4723 65.9142 31.1147 177.5271 140 Q 3.9326 8.0100 118.3402 59.2545 29.0522 177.9960 141 L 4.0893 7.9956 120.9788 58.6456 41.9047 178.4031 142 M 4.2408 8.2442 119.5670 58.1713 31.8622 177.8882 143 R 4.0646 7.9784 115.7016 57.6624 30.3474 176.8584 144 E 4.6606 8.3708 117.1478 56.3792 31.7459 175.8942 145 E 4.7810 7.6458 116.6921 54.3186 33.7549 174.4755 146 Q 4.4672 8.7262 121.0157 55.7952 29.1993 175.8021 147 I 4.4809 8.0489 115.4753 58.3921 40.7425 174.8088 148 N 4.1601 7.6487 118.7498 52.7970 38.0147 175.3743 149 Q 4.1151 8.5697 126.2806 58.6385 28.7346 178.2700 150 D 4.5156 8.3297 120.5056 57.4254 40.7273 178.9422 151 V 3.4937 8.0010 118.7635 65.7855 31.5301 177.8912 152 L 3.9845 7.8960 119.6445 58.0849 42.0278 178.6029 153 I 3.7195 7.7441 119.5366 64.5713 37.0486 178.1866 154 F 4.2926 8.4548 121.1951 61.5214 39.0758 177.2660 155 I 3.6496 8.1177 118.7195 64.1307 36.7965 177.4928 156 N 4.4689 8.6833 118.3739 57.0032 38.7810 176.7422 157 R 3.8485 8.0947 119.8106 59.4017 30.0535 178.0959 158 L 3.6497 7.9158 120.6082 58.0626 41.9231 179.1777 159 S 4.4430 7.9195 113.8061 61.3348 63.0110 176.2598 160 D 4.4067 8.0961 122.3155 57.2606 40.5564 177.6137 161 Y 3.9153 7.9903 120.1002 60.9091 38.6619 178.4796 162 F 4.2480 8.3064 118.6131 60.2205 38.9565 177.4215 163 F 4.0273 8.4186 120.2488 61.3096 39.2737 176.9904 164 A 3.8602 8.2077 120.0686 55.2095 18.2085 179.5101 165 A 3.7496 8.0480 119.3937 54.8861 18.3207 179.7559 166 A 3.8014 8.0129 119.5415 55.4193 18.4097 180.0213 167 R 3.7394 7.4741 116.5570 59.4849 30.0866 178.6848 168 Y 4.0510 7.8734 119.0126 60.5016 38.5524 177.8434 169 A 3.7521 8.3341 122.0269 55.1922 18.4091 179.2032 170 N 4.1831 7.9887 114.8476 56.7172 38.5898 176.8164 171 Y 4.0288 8.1008 120.7533 60.9019 38.6374 178.3277 172 L 3.7514 8.1825 118.6860 56.8123 41.6439 178.3313 173 E 4.3201 7.4995 115.8102 54.6529 30.2950 175.6115 174 Q 3.1939 7.7018 117.0751 56.7579 26.9294 173.9407 175 Q 4.3625 8.1477 118.9288 53.6590 29.8671 173.3021 176 P 4.4604 0.0000 0.0000 62.5327 32.1490 175.9851 177 D 4.5838 8.4913 120.3500 54.7194 41.8011 175.4435 178 M 4.7605 8.3862 121.2728 53.7703 34.6247 175.2366 179 L 4.9386 8.4340 122.2146 53.8465 43.7978 175.8890 180 Y 4.5352 9.2788 124.7421 57.6624 38.9800 177.1268 181 R 3.8962 9.0729 124.0758 58.6566 29.8333 177.0296 182 N 4.4867 6.4567 113.5102 52.4723 38.7921 174.6532 183 S 4.1677 7.0000 116.4372 58.5715 62.9061 174.9460 184 K 4.1914 8.2634 128.4313 53.6290 32.4173 175.1176 185 D 4.5889 8.2991 117.4058 55.7044 39.5354 176.5993 186 V 3.7943 7.9282 118.1447 61.1300 32.8597 176.6256 187 F 4.8904 7.5454 118.4848 56.0033 39.7709 175.9069 188 R 4.2381 8.4211 123.8664 56.5087 31.0211 174.9588 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 V 8.05 4.06 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 0.94 0.00 0.00 0.93 0.00 0.00 2 K 7.99 4.23 0.00 1.53 1.11 0.00 1.26 0.00 0.00 0.92 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.01 1.28 7.81 3 I 8.24 3.84 1.93 0.00 0.00 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 1.58 0.70 0.94 0.00 0.00 4 Y 7.02 4.56 0.00 3.10 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 5 T 8.56 4.13 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 1.20 0.00 0.00 6 K 8.34 4.10 0.00 2.08 2.22 0.00 1.75 0.00 0.00 1.89 0.00 0.00 3.08 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.54 1.62 7.81 7 N 8.11 4.36 0.00 2.75 2.89 0.00 0.00 6.88 7.78 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 8 G 8.03 4.38 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 0.00 9 D 8.00 4.36 0.00 2.84 2.77 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 10 K 8.08 4.28 0.00 2.00 1.85 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 0.99 7.81 11 G 8.62 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 7.58 5.05 0.00 1.90 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.70 0.00 0.00 0.00 0.00 0.00 1.77 1.94 0.00 13 T 8.56 4.87 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 1.30 0.00 0.00 14 R 8.58 4.83 0.00 1.76 1.85 0.00 3.59 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 15 I 7.81 4.52 2.13 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 1.53 0.61 1.10 0.00 0.00 16 I 7.47 3.69 1.85 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.36 0.55 0.00 0.00 17 G 8.38 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.27 4.27 0.00 1.76 1.87 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.46 7.81 19 Q 7.92 4.33 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.46 2.37 0.00 20 I 8.27 4.93 1.87 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.54 0.89 0.00 0.00 21 L 8.80 4.93 0.00 1.58 1.59 0.99 0.75 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 22 Y 8.47 4.52 0.00 2.95 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 23 K 9.07 4.06 0.00 1.79 1.88 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.49 1.55 7.81 24 N 8.06 4.65 0.00 2.79 2.90 0.00 0.00 5.96 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 25 D 7.96 4.43 0.00 2.93 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 26 P 0.00 4.19 0.00 2.31 2.32 0.00 3.77 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.33 0.00 27 R 8.56 3.89 0.00 1.97 2.12 0.00 3.26 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.88 0.00 28 V 7.68 2.70 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 0.76 0.00 0.00 0.93 0.00 0.00 29 A 8.16 3.86 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 30 A 7.79 3.91 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 31 Y 7.93 4.40 0.00 3.22 3.18 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 32 G 7.76 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.53 3.99 0.00 2.08 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 0.00 2.60 2.44 0.00 34 V 7.80 3.62 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 1.07 0.00 0.00 1.02 0.00 0.00 35 D 8.18 4.18 0.00 2.97 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 36 E 8.34 3.93 0.00 2.09 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 0.00 2.34 2.36 0.00 37 L 8.30 4.03 0.00 1.84 1.92 1.06 0.65 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 38 N 8.46 4.34 0.00 2.90 2.84 0.00 0.00 7.27 8.27 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 39 S 8.33 4.18 0.00 4.11 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 40 W 8.49 4.08 0.00 3.49 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 1.91 1.88 0.00 116 G 8.16 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 G 8.50 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 0.00 0.00 0.00 118 T 9.37 4.18 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 119 Q 8.49 3.97 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.96 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 120 L 7.84 3.91 0.00 1.75 1.60 0.89 1.19 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 0.00 121 A 8.10 3.97 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 0.00 122 S 8.39 4.14 0.00 4.16 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 0.00 123 A 8.53 4.53 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 L 8.48 4.00 0.00 1.85 1.79 0.99 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 125 H 8.39 4.26 0.00 3.40 3.35 0.00 5.62 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 V 8.08 3.33 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 -0.42 0.00 0.00 0.88 0.00 0.00 127 A 8.26 3.78 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 R 8.06 4.08 0.00 2.17 2.21 0.00 3.39 0.00 0.00 3.60 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.05 0.00 129 T 7.69 4.09 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 1.19 0.00 0.00 130 I 7.99 3.65 1.75 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.52 0.88 0.00 0.00 131 T 8.29 3.96 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 1.39 0.00 0.00 132 R 8.06 4.02 0.00 2.01 1.98 0.00 3.19 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 133 R 8.19 3.82 0.00 1.83 2.06 0.00 3.16 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.62 0.00 134 A 8.26 3.98 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 0.00 135 E 8.67 3.89 0.00 2.13 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 2.33 2.39 0.00 136 R 8.04 3.92 0.00 2.06 1.96 0.00 3.17 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 137 Q 8.06 3.94 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 138 I 8.15 3.71 2.03 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 1.43 0.67 0.92 0.00 0.00 139 V 8.15 3.57 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 1.00 0.00 0.00 0.97 0.00 0.00 140 Q 8.01 3.93 0.00 2.07 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.69 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 141 L 8.00 4.09 0.00 1.82 1.88 0.97 0.81 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 0.00 142 M 8.24 4.24 0.00 2.24 2.08 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.48 0.00 143 R 7.98 4.06 0.00 2.00 1.98 0.00 3.16 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 144 E 8.37 4.66 0.00 2.04 1.97 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 2.24 2.24 0.00 145 E 7.65 4.78 0.00 1.99 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 0.00 2.26 2.46 0.00 146 Q 8.73 4.47 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.79 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 147 I 8.05 4.48 1.82 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 1.31 0.64 1.01 0.00 0.00 148 N 7.65 4.16 0.00 1.44 2.08 0.00 0.00 6.87 7.06 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 0.00 149 Q 8.57 4.12 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.64 0.00 0.00 0.00 0.00 0.00 2.62 2.43 0.00 150 D 8.33 4.52 0.00 3.13 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 0.00 151 V 8.00 3.49 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 0.99 0.00 0.00 0.80 0.00 0.00 152 L 7.90 3.98 0.00 1.82 1.86 1.01 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 153 I 7.74 3.72 2.17 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 1.46 0.59 1.01 0.00 0.00 154 F 8.45 4.29 0.00 3.53 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 I 8.12 3.65 1.99 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.97 0.95 0.00 0.00 156 N 8.68 4.47 0.00 2.99 3.01 0.00 0.00 6.82 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 0.00 157 R 8.09 3.85 0.00 2.09 1.88 0.00 3.20 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 158 L 7.92 3.65 0.00 1.24 1.65 0.38 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 159 S 7.92 4.44 0.00 4.30 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 0.00 160 D 8.10 4.41 0.00 2.90 2.77 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 0.00 161 Y 7.99 3.92 0.00 2.90 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 0.00 162 F 8.31 4.25 0.00 3.24 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 F 8.42 4.03 0.00 3.23 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 0.00 164 A 8.21 3.86 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 0.00 165 A 8.05 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 A 8.01 3.80 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 R 7.47 3.74 0.00 1.82 1.86 0.00 2.85 0.00 0.00 2.89 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.93 0.00 168 Y 7.87 4.05 0.00 2.60 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 A 8.33 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 N 7.99 4.18 0.00 2.89 3.09 0.00 0.00 6.70 7.59 0.00 0.00 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 Y 8.10 4.03 0.00 3.07 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 L 8.18 3.75 0.00 1.52 1.69 0.34 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 173 E 7.50 4.32 0.00 1.75 1.78 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 2.01 2.18 0.00 174 Q 7.70 3.19 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.72 0.00 0.00 0.00 0.00 0.00 2.05 2.05 0.00 175 Q 8.15 4.36 0.00 1.91 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.87 0.00 0.00 0.00 0.00 0.00 2.48 2.31 0.00 176 P 0.00 4.46 0.00 2.23 2.05 0.00 3.81 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 1.99 1.99 0.00 177 D 8.49 4.58 0.00 2.74 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 M 8.39 4.76 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.51 0.00 179 L 8.43 4.94 0.00 1.59 1.68 1.04 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 0.00 180 Y 9.28 4.54 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 0.00 181 R 9.07 3.90 0.00 1.92 2.06 0.00 3.07 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 182 N 6.46 4.49 0.00 2.16 2.65 0.00 0.00 6.86 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 0.00 183 S 7.00 4.17 0.00 4.11 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 0.00 184 K 8.26 4.19 0.00 1.82 1.59 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.36 1.03 7.81 185 D 8.30 4.59 0.00 2.60 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 V 7.93 3.79 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 0.24 0.00 0.00 -0.96 0.00 0.00 187 F 7.55 4.89 0.00 3.02 2.83 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 0.00 188 R 8.42 4.24 0.00 2.00 1.75 0.00 3.35 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.17 0.00 * Residues marked with a * may have inaccurate shift predictions.