NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3415 8.3049 120.3199 54.9960 33.7179 175.2472 2 V 3.9529 7.6290 111.8580 60.3991 32.8306 173.7145 3 Y 4.6633 8.8434 120.6316 55.3114 40.9909 174.2709 4 P 4.3894 0.0000 0.0000 62.9514 32.0574 175.9373 5 I 4.4702 8.1029 123.0516 60.4006 38.1673 175.9164 6 R 4.1337 9.1192 127.1796 56.2982 30.6478 176.4599 7 L 4.6543 8.4528 122.9451 53.0528 44.0082 175.2680 8 Y 4.3136 8.6229 121.7690 59.3791 38.9778 176.9553 9 G 3.7857 8.4675 115.2828 45.8472 0.0000 173.4263 10 D 4.4184 8.2760 120.7618 53.2309 41.6263 175.2836 11 P 4.3551 0.0000 0.0000 65.0125 31.1234 178.8308 12 V 3.6479 8.1121 118.4541 64.5873 31.1451 178.1319 13 L 4.1973 8.0743 119.1117 56.5161 41.2532 177.9727 14 R 4.7459 7.5819 115.8271 55.9572 31.0103 176.9530 15 R 4.2004 7.5286 117.1725 55.5665 31.2713 176.2826 16 K 4.2616 8.4605 122.8497 55.6343 32.5136 176.5070 17 A 4.5535 8.6172 130.3627 51.6215 19.2638 177.0223 18 R 4.2764 8.7570 120.1174 54.8500 31.6580 174.6839 19 P 4.6818 0.0000 0.0000 62.8261 32.1626 176.3068 20 V 3.6696 8.8426 123.8494 62.7343 32.1661 175.1094 21 E 4.4395 8.5973 124.7553 57.4011 31.7434 175.6028 22 D 4.7330 7.8096 118.3513 52.9691 41.8445 175.5789 23 F 4.4438 8.7614 124.9508 57.2362 39.8018 177.8371 24 S 4.1513 8.8101 117.1902 60.9346 62.8037 175.6013 25 G 4.0410 7.9085 106.9987 45.1995 0.0000 175.1391 26 I 3.6991 7.8173 122.6734 63.8714 37.0364 177.9980 27 K 3.8759 8.1236 120.0665 59.8298 31.8994 178.8313 28 R 3.9704 7.9571 117.6128 59.1278 30.0598 178.7079 29 L 4.0030 8.1787 119.9740 58.1645 42.0489 178.8739 30 A 4.0288 8.6236 121.0535 55.1445 18.2627 179.4845 31 E 3.9661 8.2666 117.2430 59.7903 29.5705 179.3219 32 D 4.5066 8.0908 118.8944 57.3639 40.7752 178.8039 33 M 4.1315 8.2171 119.4991 58.3842 31.9060 178.6777 34 L 3.7441 8.1782 119.3823 57.7424 41.7731 179.2593 35 E 4.1957 8.4602 119.2564 59.5351 29.6938 179.0525 36 T 3.9125 8.1334 115.8762 66.7188 68.4746 176.2362 37 M 3.9711 8.2644 120.3833 58.7971 32.2588 178.2628 38 F 4.4112 8.3297 118.1763 60.7407 38.8743 177.3801 39 E 4.0736 8.3109 117.6252 58.7529 29.5229 177.7082 40 A 4.3693 7.7982 117.8523 51.2209 18.8624 177.1611 41 K 3.8703 7.8292 115.8781 57.4337 30.1556 176.2459 42 G 4.0116 8.1193 108.1190 45.1682 0.0000 174.5825 43 V 4.4134 8.1655 109.7920 61.1035 33.6619 175.8796 44 G 4.4735 7.8055 105.9555 45.1666 0.0000 172.2831 45 L 4.8107 8.9142 121.7791 53.6931 46.1103 174.0159 46 A 5.1312 8.9134 127.4672 49.9653 21.5801 177.3837 47 A 3.8357 9.0723 124.2098 55.0343 18.8846 178.5685 48 P 4.3007 0.0000 0.0000 65.9548 31.2298 178.5023 49 Q 4.1622 8.2491 116.3907 57.3569 28.2449 177.4063 50 I 4.6695 7.5667 112.7431 60.4023 38.2587 176.0309 51 G 3.7987 8.0508 107.1493 45.6624 0.0000 173.6498 52 L 4.4805 7.4998 119.2865 52.7973 43.5551 177.5814 53 S 4.5382 8.2894 123.0829 57.4058 60.3170 172.6439 54 Q 4.8183 7.5045 119.1495 53.7971 32.9514 177.9151 55 R 4.3961 8.5875 122.6728 55.0608 28.6277 174.4267 56 L 5.2190 7.6648 122.5864 53.3825 46.2517 174.4602 57 F 5.3806 8.8891 119.8455 55.5817 42.0460 173.4812 58 V 4.9300 8.8179 112.1090 59.9682 35.2733 174.6837 59 A 5.1323 8.7827 122.9630 51.2738 22.9932 175.6817 60 V 4.9907 8.6695 112.1205 59.2752 35.6470 175.4054 61 E 4.8195 9.0048 124.0951 56.2947 29.6367 176.9259 *74 L 4.2121 8.1366 119.9061 54.7116 42.4178 178.5284 75 R 3.5292 7.2390 115.0088 59.0302 28.9836 177.2920 76 E 4.1418 7.8819 115.4464 57.5028 29.7927 176.9339 77 L 4.4347 7.5608 117.6216 54.8097 42.4653 177.2276 78 V 4.0017 7.4464 112.6943 60.8640 32.4561 176.2495 79 R 4.1282 8.5910 124.5350 58.9204 30.5034 176.7422 80 R 4.6423 7.6592 114.9119 54.3404 34.7330 174.1573 81 V 4.5743 8.1417 121.8683 61.2244 34.2072 174.1052 82 Y 4.7922 9.0685 125.1457 56.1829 41.2613 174.5593 83 V 4.3908 8.5312 124.2814 61.0990 34.0631 174.3761 84 V 4.2267 8.3512 128.4287 61.0554 33.9216 173.9158 85 A 5.0828 9.2261 130.4430 50.5135 21.8856 175.8245 86 N 4.3571 8.9289 116.8751 53.5591 36.9038 173.5497 87 P 4.8196 0.0000 0.0000 62.9289 32.6230 175.8373 88 V 4.4687 9.0519 120.4890 61.2598 34.9419 174.2049 89 I 4.5989 8.6545 129.3397 61.6403 36.9589 175.8130 90 T 4.4842 8.8322 117.8779 62.4226 69.9101 174.3014 91 Y 5.0857 7.7006 122.9760 56.5659 42.3118 173.2618 92 R 4.8114 7.5603 120.6346 54.6380 33.0346 173.7259 93 E 4.3277 8.7378 121.0349 55.8341 33.6622 175.9147 94 G 4.0486 10.4888 111.1702 45.4449 0.0000 171.9550 95 L 4.7270 7.7614 119.6973 54.1524 44.6715 174.4824 96 V 4.4862 8.9733 126.8654 61.1218 34.7711 174.1940 97 E 4.8692 8.9514 127.2553 56.2064 30.7967 175.6912 98 G 4.1639 8.6435 109.1474 45.8259 0.0000 171.7570 99 T 5.0948 8.3617 116.4990 62.9073 70.0531 174.3412 100 E 4.5550 9.2500 124.7635 54.4834 34.0521 174.5120 101 G 3.3675 8.1193 112.3938 44.3492 0.0000 173.8425 *103 L 4.2946 8.5312 119.9428 54.7511 43.6855 177.9672 104 S 4.3798 7.9019 113.1751 59.8327 63.9791 173.5193 105 L 4.2481 7.3126 119.6594 52.1372 41.8962 174.4512 106 P 4.3954 0.0000 0.0000 64.0860 32.0779 177.8662 107 G 4.1317 8.9312 109.8315 45.4505 0.0000 172.8136 108 L 4.8601 7.7065 120.5144 53.2595 43.4078 175.2782 109 Y 5.1372 8.6479 119.3055 56.3201 42.1602 174.4022 110 S 5.0068 8.7700 116.6342 56.8936 64.8170 174.4065 111 E 4.7140 8.7585 123.9712 56.0617 29.7585 175.9444 112 E 4.8008 7.8872 118.0596 55.8890 31.2723 176.1004 113 V 3.9234 8.1562 121.5599 62.0319 32.4434 173.3467 114 P 4.9636 0.0000 0.0000 62.9480 32.2012 175.8518 115 R 4.7841 8.8953 120.4393 54.0031 35.0455 174.3647 116 A 4.6751 8.5639 123.2370 52.0595 18.5243 177.7307 117 E 4.1049 8.8884 122.2999 58.4400 31.2348 176.4686 118 R 5.2348 8.3215 119.1303 54.3777 33.8317 174.2700 119 I 5.1720 8.7937 117.9753 59.2009 41.8185 173.6788 120 R 5.1372 8.9690 123.5702 54.6532 32.8349 174.6570 121 V 5.0044 8.9932 125.7149 61.2851 34.9061 173.8130 122 E 5.2322 9.1979 127.8415 55.6380 31.5953 174.8561 123 Y 5.3452 8.5168 120.6916 56.6950 42.2602 172.8761 124 Q 5.0844 9.3776 118.4429 54.1507 32.3237 176.5719 125 D 5.1472 8.7837 122.0823 51.6334 41.4184 176.6420 126 E 4.1780 8.7477 115.9470 58.9869 29.5791 177.1798 127 E 4.2681 8.3910 117.5180 56.0485 29.8585 176.7573 128 G 2.3754 7.7017 107.3289 44.7272 0.0000 173.6263 129 R 4.0656 8.0482 120.1210 54.9212 31.2344 176.4494 130 G 3.8526 8.5566 111.7252 46.6661 0.0000 172.7859 131 R 4.7195 8.7815 122.1974 54.2132 35.0405 174.2244 132 V 5.0182 8.1391 119.8007 61.2535 34.6863 174.4134 133 L 4.9172 9.1966 128.2131 53.5433 45.9477 174.3436 134 E 5.2540 8.8572 124.1021 54.6355 32.1300 175.2744 135 L 4.9705 8.8214 122.9592 52.8639 46.1527 175.2679 136 E 4.9320 8.2512 118.1213 54.9837 32.9240 177.5124 137 G 3.7232 9.1013 108.7121 46.6954 0.0000 175.4820 138 Y 4.1033 8.9243 120.3280 61.4210 38.6192 178.4859 139 M 4.0019 8.1361 118.4259 58.0270 32.0471 178.4567 140 A 3.8246 7.8207 120.7972 54.8844 18.5417 179.5218 141 R 3.7234 7.7861 117.4270 59.3621 30.1558 178.8613 142 V 3.3426 7.5213 118.0346 66.0301 31.4413 177.9853 143 F 3.7293 8.4750 117.6070 60.5148 38.7252 177.6278 144 Q 3.9133 8.2430 117.7242 59.2343 28.3063 178.4097 145 H 3.9353 7.9242 117.8379 59.3133 30.1341 176.8840 146 E 3.8613 7.8455 120.2852 59.2529 29.1124 179.3413 147 I 3.6312 7.4868 120.1696 64.3355 37.0918 178.0316 148 D 4.2837 8.0162 119.7637 57.8226 40.7313 178.5717 149 H 4.1430 7.7253 116.0852 58.8702 28.6181 177.5854 150 L 4.1367 7.9501 119.8537 56.7988 41.6843 177.8738 151 D 4.7345 7.9385 116.6453 53.6061 41.0917 176.5580 152 G 4.3413 7.8758 106.6343 47.1996 0.0000 173.5931 153 I 4.5265 7.6206 119.2171 58.9532 39.5352 175.2680 154 L 4.6033 7.9848 123.2992 52.0972 44.7410 177.7709 155 F 4.0092 8.2770 116.4028 60.0230 37.5613 177.5813 156 F 3.9073 6.2662 114.2645 59.2295 37.3444 176.9083 157 E 4.0231 7.1951 118.3285 58.5448 29.2713 178.5667 158 R 4.0607 7.4250 116.9081 56.8085 30.6733 176.8649 159 L 4.2324 7.0820 119.3829 53.3945 42.4805 175.7673 160 P 4.3436 0.0000 0.0000 62.4788 33.1513 177.2055 161 K 3.8336 8.7515 122.0321 59.7461 32.0230 177.2096 162 P 4.2641 0.0000 0.0000 65.5683 31.2495 178.8020 163 K 4.0867 7.9919 116.9111 59.1774 32.0969 179.2238 164 R 3.9922 8.4030 119.4528 59.6159 30.0275 178.4721 165 E 3.9891 8.6084 118.4672 59.3573 29.3440 179.2305 166 A 3.9961 8.2372 120.9001 54.9737 18.4010 179.5036 167 F 3.9670 8.4381 119.2016 61.4947 39.3094 177.4672 168 L 3.7079 7.9070 117.4072 57.4156 41.6526 178.9175 169 E 3.9504 8.3149 119.1515 59.2910 29.4527 178.6739 170 A 3.9787 7.9012 119.5770 54.4686 18.5861 178.3975 171 N 4.5949 7.2639 112.6743 52.9396 38.9747 176.9302 172 R 3.7343 7.5024 120.6241 59.5845 29.1892 178.6110 173 A 3.8639 7.6775 120.8194 54.8094 18.4443 179.3224 174 E 3.5036 7.7837 116.6084 59.2556 29.5386 179.3984 175 L 3.7459 7.6294 119.0715 57.6123 41.6110 179.6754 176 V 3.5948 7.7624 118.2136 65.9160 31.4389 178.0843 177 R 3.8322 7.6461 118.3712 59.4050 29.8820 178.3855 178 F 4.5779 7.8994 117.6760 60.9706 38.7401 177.6485 179 Q 4.2667 7.9694 117.4754 58.3677 28.5774 178.7921 180 K 4.1238 7.8822 118.4111 59.5858 32.2155 178.7741 181 E 4.0979 8.2712 118.0464 58.9276 29.6245 176.8876 182 A 4.3151 8.2259 125.0195 52.3630 18.5994 176.8717 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 4.34 0.00 2.18 2.48 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.55 0.00 2 V 7.63 3.95 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 0.86 0.00 0.00 0.92 0.00 0.00 3 Y 8.84 4.66 0.00 2.98 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 4 P 0.00 4.39 0.00 2.09 2.02 0.00 3.85 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 2.08 2.14 0.00 5 I 8.10 4.47 1.87 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 1.35 0.52 0.88 0.00 0.00 6 R 9.12 4.13 0.00 1.62 1.85 0.00 3.58 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.73 0.00 7 L 8.45 4.65 0.00 1.63 1.55 1.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 8 Y 8.62 4.31 0.00 3.16 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 9 G 8.47 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.28 4.42 0.00 2.75 2.54 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 11 P 0.00 4.36 0.00 2.17 2.05 0.00 3.63 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.10 0.00 12 V 8.11 3.65 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 0.92 0.00 0.00 0.89 0.00 0.00 13 L 8.07 4.20 0.00 1.81 1.77 1.06 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 14 R 7.58 4.75 0.00 1.79 1.91 0.00 3.50 0.00 0.00 3.22 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.70 0.00 15 R 7.53 4.20 0.00 1.72 1.83 0.00 3.13 0.00 0.00 3.12 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 16 K 8.46 4.26 0.00 1.73 1.72 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.49 7.81 17 A 8.62 4.55 1.25 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 18 R 8.76 4.28 0.00 1.71 1.82 0.00 3.29 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 19 P 0.00 4.68 0.00 1.94 2.02 0.00 3.66 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 20 V 8.84 3.67 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 -0.36 0.00 0.00 0.83 0.00 0.00 21 E 8.60 4.44 0.00 1.91 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 2.21 2.23 0.00 22 D 7.81 4.73 0.00 2.61 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 23 F 8.76 4.44 0.00 3.15 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 24 S 8.81 4.15 0.00 3.99 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 25 G 7.91 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 26 I 7.82 3.70 2.25 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 1.27 0.46 0.99 0.00 0.00 27 K 8.12 3.88 0.00 1.86 1.85 0.00 1.75 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.54 1.58 7.81 28 R 7.96 3.97 0.00 2.04 2.00 0.00 3.37 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 29 L 8.18 4.00 0.00 1.84 1.81 0.85 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.62 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 31 E 8.27 3.97 0.00 2.31 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 0.00 2.38 2.40 0.00 32 D 8.09 4.51 0.00 3.01 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 33 M 8.22 4.13 0.00 2.05 2.26 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.50 0.00 34 L 8.18 3.74 0.00 1.91 1.75 1.01 0.90 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 35 E 8.46 4.20 0.00 2.16 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 0.00 2.38 2.44 0.00 36 T 8.13 3.91 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 1.35 0.00 0.00 37 M 8.26 3.97 0.00 1.86 1.98 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.53 0.00 38 F 8.33 4.41 0.00 3.31 2.96 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 39 E 8.31 4.07 0.00 2.05 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 0.00 2.36 2.37 0.00 40 A 7.80 4.37 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 41 K 7.83 3.87 0.00 2.01 1.98 0.00 1.78 0.00 0.00 1.94 0.00 0.00 3.24 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.56 7.81 42 G 8.12 4.01 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 0.00 0.00 0.00 43 V 8.17 4.41 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 0.89 0.00 0.00 0.98 0.00 0.00 44 G 7.81 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.91 4.81 0.00 1.70 1.42 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.91 5.13 1.19 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 0.00 0.00 47 A 9.07 3.84 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 P 0.00 4.30 0.00 2.11 2.25 0.00 3.49 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.16 0.00 49 Q 8.25 4.16 0.00 2.17 2.07 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0.00 0.00 6.99 7.58 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 87 P 0.00 4.82 0.00 2.34 2.17 0.00 3.79 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 2.10 2.20 0.00 88 V 9.05 4.47 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 1.08 0.00 0.00 0.99 0.00 0.00 89 I 8.65 4.60 1.89 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 1.46 0.70 0.94 0.00 0.00 90 T 8.83 4.48 4.31 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 1.30 0.00 0.00 91 Y 7.70 5.09 0.00 3.03 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 92 R 7.56 4.81 0.00 1.60 1.67 0.00 2.97 0.00 0.00 3.05 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.40 0.00 93 E 8.74 4.33 0.00 1.71 1.68 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 2.20 2.24 0.00 94 G 10.49 4.05 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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2.16 2.29 0.00 137 G 9.10 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 0.00 0.00 0.00 138 Y 8.92 4.10 0.00 3.09 3.07 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 0.00 139 M 8.14 4.00 0.00 1.92 2.06 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.72 0.00 140 A 7.82 3.82 1.25 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 0.00 141 R 7.79 3.72 0.00 1.84 1.93 0.00 3.08 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.66 0.00 142 V 7.52 3.34 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 0.91 0.00 0.00 0.41 0.00 0.00 143 F 8.48 3.73 0.00 2.93 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 0.00 144 Q 8.24 3.91 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 145 H 7.92 3.94 0.00 3.08 3.38 0.00 5.77 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 E 7.85 3.86 0.00 1.16 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 2.07 1.96 0.00 147 I 7.49 3.63 1.81 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 1.62 0.63 0.91 0.00 0.00 148 D 8.02 4.28 0.00 2.75 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 0.00 149 H 7.73 4.14 0.00 3.29 3.28 0.00 5.61 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 L 7.95 4.14 0.00 1.82 1.72 1.05 1.18 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 0.00 151 D 7.94 4.73 0.00 2.72 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 0.00 152 G 7.88 4.34 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 0.00 153 I 7.62 4.53 1.89 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 1.19 0.77 0.75 0.00 0.00 154 L 7.98 4.60 0.00 0.75 1.03 nan 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 155 F 8.28 4.01 0.00 3.15 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 0.00 156 F 6.27 3.91 0.00 2.74 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 E 7.20 4.02 0.00 1.76 1.89 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 2.24 1.66 0.00 158 R 7.43 4.06 0.00 1.95 1.94 0.00 3.26 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.72 0.00 159 L 7.08 4.23 0.00 1.81 1.63 0.93 1.10 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 0.00 160 P 0.00 4.34 0.00 2.17 1.99 0.00 3.65 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 2.13 2.16 0.00 161 K 8.75 3.83 0.00 1.83 1.85 0.00 1.74 0.00 0.00 1.83 0.00 0.00 3.16 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.59 7.81 162 P 0.00 4.26 0.00 2.22 2.10 0.00 3.60 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 2.13 2.19 0.00 163 K 7.99 4.09 0.00 2.00 1.91 0.00 1.70 0.00 0.00 1.94 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.57 1.52 7.81 164 R 8.40 3.99 0.00 2.07 2.14 0.00 3.29 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.97 0.00 165 E 8.61 3.99 0.00 2.06 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 2.35 2.51 0.00 166 A 8.24 4.00 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 0.00 167 F 8.44 3.97 0.00 3.23 3.20 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 0.00 168 L 7.91 3.71 0.00 1.61 1.60 0.95 0.17 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 0.00 169 E 8.31 3.95 0.00 2.13 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 2.27 2.32 0.00 170 A 7.90 3.98 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 0.00 171 N 7.26 4.59 0.00 2.08 2.38 0.00 0.00 6.71 8.62 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 0.00 172 R 7.50 3.73 0.00 1.94 2.24 0.00 2.71 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 1.62 1.58 0.00 173 A 7.68 3.86 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 0.00 174 E 7.78 3.50 0.00 1.65 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 2.23 2.23 0.00 175 L 7.63 3.75 0.00 1.66 1.67 0.52 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 176 V 7.76 3.59 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 0.97 0.00 0.00 0.94 0.00 0.00 177 R 7.65 3.83 0.00 1.92 1.82 0.00 3.13 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 1.66 1.65 0.00 178 F 7.90 4.58 0.00 3.43 3.23 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 0.00 179 Q 7.97 4.27 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.95 0.00 0.00 0.00 0.00 0.00 2.22 2.63 0.00 180 K 7.88 4.12 0.00 1.94 1.90 0.00 1.61 0.00 0.00 1.90 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.50 7.81 181 E 8.27 4.10 0.00 2.22 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 0.00 2.37 2.38 0.00 182 A 8.23 4.32 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 * Residues marked with a * may have inaccurate shift predictions.