NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8747 8.3544 109.7403 45.0877 0.0000 173.7335 4 K 4.2064 7.8752 121.3666 52.7314 32.8633 174.4427 5 I 4.2253 8.2260 119.4478 61.5579 39.3333 174.6501 6 S 4.8524 7.7464 113.3403 56.7582 65.6887 173.6140 7 A 4.2582 8.8851 122.8621 52.7953 18.3000 177.5455 8 L 4.5539 7.2740 116.2575 53.2560 43.4320 176.7776 9 D 4.6606 8.2636 122.0515 52.9603 40.4278 176.3960 10 L 4.3878 7.7496 126.1152 52.6762 41.7701 176.3390 *13 G 3.7995 7.5829 110.0075 46.0833 0.0000 170.9198 14 E 4.3829 8.5357 116.7934 54.5995 30.8511 172.6083 15 L 4.1321 8.3012 117.5497 56.2182 42.2450 178.5530 16 S 4.4083 8.3117 117.0004 57.8955 65.2246 175.2251 17 E 3.9134 8.6274 122.2961 59.1704 29.2312 177.8588 18 P 4.2103 0.0000 0.0000 66.0128 31.3975 178.6695 19 T 3.6792 7.4186 113.4804 66.4248 68.2408 176.7442 20 K 3.8570 8.1675 120.2345 59.4773 32.0185 179.0643 21 A 4.0277 8.1187 121.1572 55.5192 18.3093 179.0561 22 Y 4.2455 8.0094 117.8635 60.6758 38.9101 177.6482 23 F 4.4328 8.5898 118.5823 59.8241 38.9533 177.6227 24 A 4.0259 8.1359 121.1670 54.8663 18.1772 179.6180 25 K 4.2112 7.7395 118.1603 59.2618 32.1668 179.1981 26 C 3.9785 7.6954 116.6069 62.8874 27.8314 175.8427 27 E 3.9071 7.9994 119.4198 59.3492 29.3089 178.4313 28 E 4.1265 8.2166 118.7236 59.3072 29.2902 178.9593 29 K 4.1165 7.9572 118.0265 57.7247 32.5490 177.9246 30 L 4.4392 7.5621 118.7991 53.8871 43.0675 176.7162 31 G 3.9703 8.3038 106.7751 45.0812 0.0000 172.9605 32 L 4.2595 7.1767 118.6131 54.9730 42.6663 173.7923 33 V 3.9582 7.8478 118.4375 60.0444 32.4396 173.3069 34 P 4.4614 0.0000 0.0000 63.3734 31.8034 177.2859 35 N 4.4306 9.6594 121.4241 56.0525 38.5008 177.8440 36 V 3.4644 8.1716 121.0659 64.8494 30.8170 178.4644 37 L 4.1198 7.8849 119.3995 57.4922 41.2396 179.6505 38 K 4.2252 7.9372 116.8248 59.3653 32.0683 178.7755 39 A 4.1761 7.9077 120.5486 55.2505 18.6467 178.8172 40 Y 3.8746 8.1337 113.6101 59.6801 37.9037 177.0700 41 A 4.3131 7.5362 120.0574 52.9713 18.6319 178.1632 42 F 4.2513 8.0535 112.3567 58.6807 38.4751 175.6316 43 D 4.2766 7.2332 121.3669 52.0714 43.4334 174.7575 44 D 4.4104 8.8848 131.0065 58.0048 40.8021 179.7526 45 K 4.0092 8.1870 124.2308 59.7137 31.7586 182.5752 46 K 4.2667 8.0725 119.5829 58.9677 31.9631 179.1346 47 L 4.0146 7.9600 120.6775 58.2983 41.8184 179.0244 48 R 3.7640 8.0819 118.4018 59.3913 30.0975 178.3284 49 A 3.9958 8.0703 120.6502 54.7849 18.2149 179.5297 50 F 3.9404 8.1399 119.5885 61.6994 39.5368 177.4986 51 T 3.7513 8.1730 109.5578 64.9118 68.2786 176.0520 52 D 4.2753 7.7451 121.2481 57.1920 40.9394 178.6817 53 I 3.5575 7.4203 119.8731 64.4411 36.8344 177.9037 54 Y 3.1871 7.5069 119.4751 60.4947 38.6298 177.5383 55 N 4.5054 7.9748 116.2988 56.1151 38.9299 176.7228 56 D 4.4028 7.8992 119.4820 57.1481 41.2023 177.6997 57 L 3.9297 7.2906 116.4261 56.6953 41.8891 177.2453 *59 L 4.2157 7.7815 116.5120 54.6975 43.5190 177.1494 60 G 3.8340 7.5182 107.3231 44.1198 0.0000 173.1677 61 E 3.9363 8.4586 120.2462 56.6539 29.9980 176.1729 62 S 4.5789 8.1203 116.1499 57.4251 64.9545 176.3484 63 G 4.0611 8.8693 114.4100 47.4931 0.0000 173.8752 64 L 4.4082 7.8626 120.3170 53.7304 42.7613 177.6134 65 S 4.3927 8.6675 118.0707 57.8947 65.0729 175.5557 66 K 3.8553 8.6250 122.1699 59.8327 31.5519 179.2484 67 L 3.9500 7.7971 118.6822 58.0895 42.1835 177.9267 68 D 4.5710 8.1526 118.2202 57.7798 41.1307 179.0802 69 R 4.0913 7.7906 117.5598 59.0318 30.1667 179.9966 70 E 3.8503 8.0926 118.5419 56.2882 29.5215 179.3224 *72 I 3.8767 7.8248 120.8075 61.3931 39.6008 177.9358 73 A 3.1047 7.5931 121.8584 55.0491 17.8323 179.9622 74 V 3.4355 7.4618 116.2260 65.8615 31.7073 178.1662 75 A 3.9484 7.7124 120.0895 55.0454 18.4642 179.4363 76 V 3.5252 7.7259 116.7669 66.5407 31.6033 178.5379 77 S 4.6985 8.0757 115.9887 60.8870 62.6790 176.5920 78 S 4.0457 8.3092 116.2655 61.5542 61.9421 176.2738 79 I 3.7143 7.4053 120.6043 64.1569 36.9581 177.2906 80 N 4.6470 7.8202 113.5244 52.4563 39.6737 174.6030 81 H 3.9239 7.4798 116.9505 56.7526 27.0122 175.9057 82 C 4.5244 8.0179 119.9719 58.1451 31.7154 172.9442 83 Y 4.2835 8.8083 129.3453 60.8789 38.3608 177.2203 84 Y 3.5034 7.9784 119.7791 60.9373 39.0084 177.6871 85 C 4.4144 8.2251 117.1526 62.7723 28.5638 175.7824 86 L 3.9456 8.3114 121.0250 58.0807 41.2473 179.8561 87 T 3.6530 7.4772 114.7411 66.4192 68.5448 176.7504 88 A 2.5800 7.3211 122.3632 55.1052 18.4043 179.2940 89 H 4.3566 8.2834 114.4843 57.9333 28.9655 178.1947 90 G 3.5789 7.8369 107.4521 47.6986 0.0000 175.5841 91 A 3.9827 7.7621 122.8180 54.7776 18.3971 179.5666 92 A 3.9295 7.6736 118.9226 55.1976 18.4661 179.9281 93 V 3.5143 7.8602 116.7117 66.4108 31.0864 178.5378 94 R 4.1294 7.8320 117.1895 59.0711 29.5935 178.9860 95 Q 3.9595 7.8650 118.6337 59.3134 29.3136 177.8762 96 L 4.1560 8.2357 119.1268 57.3285 41.6941 179.0035 97 S 4.4624 8.2124 113.0993 58.2367 63.4052 175.1234 98 G 3.8387 7.5717 108.3913 45.9690 0.0000 173.0541 99 D 4.6631 7.9550 119.1116 50.7370 42.5694 174.1569 100 P 4.2688 0.0000 0.0000 65.7378 31.1433 178.3195 101 A 4.0298 8.0566 117.6958 54.9299 18.3734 178.8691 102 L 4.1568 7.6765 117.4671 58.3210 42.4701 179.0985 103 G 3.8572 8.0887 105.1079 47.7207 0.0000 175.8933 104 E 3.9116 7.6228 116.7387 56.6927 28.7526 177.9452 *106 L 4.4556 7.9366 121.0202 54.9870 43.4237 178.4164 107 V 3.4551 7.6071 115.4459 64.5670 31.4416 175.1890 *109 N 4.4024 7.9312 117.1540 53.6697 38.6886 174.3250 110 F 4.2592 8.6934 122.0386 59.4424 38.0301 177.8267 111 R 3.5467 6.9156 119.4190 58.5356 29.7733 177.3967 112 A 4.1620 7.9146 119.1170 53.2027 18.7519 178.1658 113 A 4.0658 7.9549 118.4808 52.9068 19.3165 176.6464 114 D 4.3100 8.0552 113.2589 54.9811 36.7217 172.8345 115 L 4.5740 7.4104 118.9696 53.3709 44.0280 177.6649 116 S 4.4856 8.7892 115.1721 57.5147 65.0939 173.3261 117 P 4.2437 0.0000 0.0000 65.7242 30.7109 179.0285 118 R 3.8138 7.8085 116.2702 59.6631 30.2595 178.1090 119 Q 4.2382 7.9723 116.3694 59.1732 28.9408 178.7815 120 T 4.1672 8.3868 116.8856 66.5414 68.5067 177.2137 121 A 4.1165 8.0163 119.3336 53.3033 18.4672 178.9612 *123 L 3.9959 7.8926 122.3831 56.1103 43.9076 179.2797 124 E 4.0740 8.6483 118.6560 59.3216 29.3220 179.0900 125 F 4.1451 8.4857 120.5461 61.3005 39.4255 177.0763 126 A 3.9721 7.9941 119.9560 54.9180 18.2091 179.5612 127 V 3.4769 7.8134 116.8183 66.0987 31.5639 178.2910 128 K 3.9068 7.8431 119.3576 59.3465 31.8329 178.5061 129 L 3.6769 7.7830 119.8823 58.1142 41.8655 179.0121 130 T 4.0402 7.4070 115.0264 66.6703 68.6844 176.5990 131 E 4.2185 8.4072 119.6675 58.4195 31.0910 177.8920 132 E 4.7790 8.4163 116.4768 54.3489 30.3465 174.0250 133 P 4.0909 0.0000 0.0000 66.1525 32.0212 179.2688 134 A 3.9421 8.0165 120.8353 54.4905 18.3199 177.8970 135 K 4.4292 7.8923 113.2560 56.2023 32.4163 176.7432 136 I 4.1750 7.2192 121.3112 61.2927 37.7223 175.6067 137 V 4.5887 8.7957 116.7918 58.6261 36.0200 175.8812 138 E 3.9846 8.8546 119.8486 59.6822 29.3164 178.4395 139 A 4.0272 8.0387 120.1901 54.9502 18.2823 179.2112 140 D 4.4545 8.3141 117.9240 57.5681 41.0216 179.0526 141 R 3.7703 8.0571 117.9512 59.2071 30.0942 178.8179 142 A 4.0374 8.4337 120.6178 54.9778 18.3159 179.5977 143 A 3.9955 7.9923 119.1681 55.1860 18.3009 179.7909 144 L 4.1084 7.6712 117.6930 57.9988 41.7652 179.9755 145 R 4.2659 7.8494 119.0402 58.8541 29.8459 179.2058 146 K 3.9526 8.2296 117.0033 59.4716 32.1186 178.8881 147 A 4.1744 7.8902 119.6654 52.8501 18.5417 177.7343 148 G 3.9898 7.6154 106.3344 46.1969 0.0000 173.7027 149 F 5.0713 7.9114 117.5293 55.1213 41.7838 176.1630 150 S 4.5151 8.9815 119.9093 57.4837 65.5314 175.2370 151 D 4.3609 8.5175 121.3148 57.6268 40.4825 179.1217 152 R 3.9704 7.9613 118.7040 59.3892 30.0531 178.1311 153 D 4.4429 8.3967 118.9726 57.2497 40.8093 178.7966 154 I 3.4410 7.9230 120.5117 64.0235 37.0950 178.0186 155 W 4.1608 8.5251 129.5626 60.8736 30.3380 177.7277 156 D 4.4478 8.3080 118.6092 57.1951 40.2533 178.7988 157 I 3.5969 8.0314 120.5908 64.2307 37.0013 178.3999 158 A 4.0461 7.9904 121.5846 55.2349 18.1571 179.9395 159 S 3.8592 7.8772 113.7077 61.8163 62.8638 176.9341 160 T 3.9263 8.0840 118.3790 66.7676 68.3971 176.5027 161 A 4.0692 8.2656 122.4208 55.1482 18.1729 179.5620 162 A 3.9298 8.1897 118.7727 55.1308 18.5035 179.2978 163 F 4.0476 8.3052 118.5959 61.5204 39.8076 177.2416 164 F 4.0874 8.3614 116.8618 59.7407 38.4870 177.2452 165 N 4.5787 7.7859 114.5539 53.8820 38.1237 177.0025 *167 S 4.1591 8.0119 118.4019 58.7249 65.1049 175.8668 168 N 4.3695 8.2549 117.5097 56.7205 38.2825 177.7290 169 R 3.9660 7.5610 118.7510 58.9511 30.0919 179.3240 170 V 3.5026 7.6840 117.4307 65.9285 31.6546 177.6097 171 A 3.9020 8.1260 120.3867 55.2742 17.9769 179.5121 172 A 3.9706 8.1745 118.0792 55.2599 18.5373 179.4372 173 A 4.1094 8.0010 118.6258 54.3246 18.7820 178.8809 174 I 4.1088 7.6942 109.0169 58.7787 38.3804 171.2652 175 D 4.3609 7.6050 127.6457 53.8950 42.7046 172.5151 *177 R 4.3179 8.3939 123.5053 55.2504 31.2423 173.8337 178 P 4.0016 0.0000 0.0000 62.0197 32.2816 175.8938 179 N 4.3776 8.5876 117.2273 53.3028 39.2303 176.0352 180 D 4.4461 8.6962 121.4400 57.4576 41.0375 178.3137 181 E 3.9700 8.0566 118.6171 59.4320 29.1362 178.6530 182 Y 4.1003 7.2445 115.6190 61.2672 37.8556 177.9859 183 H 4.4226 7.9161 116.0917 57.9235 30.1212 176.3131 184 A 4.1887 7.2899 124.4401 50.9705 17.6844 177.8708 *186 A 4.1779 7.3481 124.4201 51.9852 20.3010 177.4815 187 R 4.2477 7.7278 124.2771 56.1724 30.5992 176.8562 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 G 8.35 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 4 K 7.88 4.21 0.00 2.08 1.74 0.00 1.89 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.06 7.81 5 I 8.23 4.23 1.93 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 1.51 0.65 1.01 0.00 0.00 6 S 7.75 4.85 0.00 4.08 3.80 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 7 A 8.89 4.26 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 8 L 7.27 4.55 0.00 1.49 1.46 0.80 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 9 D 8.26 4.66 0.00 2.60 2.58 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 0.00 0.00 0.00 0.00 10 L 7.75 4.39 0.00 1.14 0.78 0.20 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 *13 G 7.58 3.80 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 0.00 0.00 0.00 14 E 8.54 4.38 0.00 2.00 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 2.23 1.90 0.00 15 L 8.30 4.13 0.00 1.63 1.57 1.08 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.31 4.41 0.00 4.01 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 17 E 8.63 3.91 0.00 1.98 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 2.39 2.35 0.00 18 P 0.00 4.21 0.00 2.09 2.06 0.00 3.50 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 2.07 2.15 0.00 19 T 7.42 3.68 4.11 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 0.37 0.00 0.00 20 K 8.17 3.86 0.00 1.94 1.86 0.00 1.69 0.00 0.00 1.67 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.62 7.81 21 A 8.12 4.03 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 22 Y 8.01 4.25 0.00 3.05 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 23 F 8.59 4.43 0.00 2.99 2.90 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 0.00 0.00 0.00 0.00 24 A 8.14 4.03 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 25 K 7.74 4.21 0.00 1.82 1.88 0.00 1.75 0.00 0.00 1.90 0.00 0.00 3.14 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.76 1.60 7.81 26 C 7.70 3.98 0.00 3.01 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 27 E 8.00 3.91 0.00 1.98 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 2.31 2.37 0.00 28 E 8.22 4.13 0.00 2.22 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 2.32 2.42 0.00 29 K 7.96 4.12 0.00 1.73 1.82 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.48 7.81 30 L 7.56 4.44 0.00 1.76 1.59 0.91 0.90 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 31 G 8.30 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 32 L 7.18 4.26 0.00 1.51 1.48 0.73 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.85 3.96 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 -0.22 0.00 0.00 0.71 0.00 0.00 34 P 0.00 4.46 0.00 2.25 2.15 0.00 3.53 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 2.13 2.19 0.00 35 N 9.66 4.43 0.00 3.09 3.01 0.00 0.00 6.35 8.47 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 36 V 8.17 3.46 1.74 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 0.85 0.00 0.00 0.46 0.00 0.00 37 L 7.88 4.12 0.00 1.67 1.99 1.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.94 4.23 0.00 1.92 1.94 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.21 7.81 39 A 7.91 4.18 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 40 Y 8.13 3.87 0.00 3.06 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 41 A 7.54 4.31 1.59 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 0.00 0.00 0.00 0.00 0.00 0.00 42 F 8.05 4.25 0.00 3.28 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 43 D 7.23 4.28 0.00 2.42 1.87 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 44 D 8.88 4.41 0.00 2.67 2.65 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 0.00 0.00 0.00 45 K 8.19 4.01 0.00 1.78 1.81 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.35 7.81 46 K 8.07 4.27 0.00 1.84 2.07 0.00 1.51 0.00 0.00 1.87 0.00 0.00 3.01 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.58 1.45 7.81 47 L 7.96 4.01 0.00 1.99 1.82 1.24 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.08 3.76 0.00 2.02 1.86 0.00 3.26 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.69 0.00 49 A 8.07 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 50 F 8.14 3.94 0.00 2.49 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 51 T 8.17 3.75 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 1.44 0.00 0.00 52 D 7.75 4.28 0.00 2.72 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 53 I 7.42 3.56 1.73 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 1.37 0.70 0.71 0.00 0.00 54 Y 7.51 3.19 0.00 2.09 2.72 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 55 N 7.97 4.51 0.00 2.82 2.87 0.00 0.00 7.03 7.48 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 56 D 7.90 4.40 0.00 2.74 2.62 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 0.00 0.00 0.00 0.00 57 L 7.29 3.93 0.00 1.44 1.26 0.58 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 *59 L 7.78 4.22 0.00 1.83 1.76 1.03 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 60 G 7.52 3.83 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 0.00 0.00 0.00 61 E 8.46 3.94 0.00 1.93 1.87 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 2.29 2.31 0.00 62 S 8.12 4.58 0.00 3.85 3.65 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 0.00 0.00 0.00 63 G 8.87 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 64 L 7.86 4.41 0.00 1.66 1.63 0.88 1.01 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 65 S 8.67 4.39 0.00 4.09 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 66 K 8.63 3.86 0.00 1.82 1.93 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.54 1.52 7.81 67 L 7.80 3.95 0.00 1.62 1.70 0.92 1.19 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 68 D 8.15 4.57 0.00 2.94 2.76 0.00 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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 1.28 0.00 0.00 131 E 8.41 4.22 0.00 1.87 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 2.41 0.00 132 E 8.42 4.78 0.00 2.04 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 2.25 2.20 0.00 133 P 0.00 4.09 0.00 2.18 2.42 0.00 3.66 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.93 0.00 134 A 8.02 3.94 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 K 7.89 4.43 0.00 1.87 1.83 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.38 7.81 136 I 7.22 4.18 1.87 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.59 1.02 0.00 0.00 137 V 8.80 4.59 2.11 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 0.81 0.00 0.00 1.05 0.00 0.00 138 E 8.85 3.98 0.00 2.10 1.98 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 2.40 2.47 0.00 139 A 8.04 4.03 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 0.00 140 D 8.31 4.45 0.00 3.09 3.14 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 0.00 141 R 8.06 3.77 0.00 2.06 1.96 0.00 3.33 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 142 A 8.43 4.04 1.33 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 0.00 0.00 0.00 143 A 7.99 4.00 1.46 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 0.00 0.00 144 L 7.67 4.11 0.00 1.70 1.67 -0.16 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 145 R 7.85 4.27 0.00 2.10 1.99 0.00 3.15 0.00 0.00 3.27 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 146 K 8.23 3.95 0.00 1.86 1.89 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.61 7.81 147 A 7.89 4.17 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 0.00 148 G 7.62 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 0.00 149 F 7.91 5.07 0.00 3.17 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 0.00 150 S 8.98 4.52 0.00 4.08 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 0.00 151 D 8.52 4.36 0.00 2.80 2.79 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 0.00 152 R 7.96 3.97 0.00 1.91 1.94 0.00 3.19 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 153 D 8.40 4.44 0.00 3.13 2.87 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 0.00 154 I 7.92 3.44 1.99 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 1.11 0.84 0.74 0.00 0.00 155 W 8.53 4.16 0.00 3.45 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 0.00 156 D 8.31 4.45 0.00 2.91 2.72 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 0.00 157 I 8.03 3.60 1.64 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.42 0.90 0.00 0.00 158 A 7.99 4.05 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 0.00 159 S 7.88 3.86 0.00 3.71 3.75 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 0.00 160 T 8.08 3.93 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 1.35 0.00 0.00 161 A 8.27 4.07 1.33 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 0.00 0.00 0.00 162 A 8.19 3.93 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 0.00 163 F 8.31 4.05 0.00 2.96 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 0.00 164 F 8.36 4.09 0.00 3.23 3.17 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 0.00 165 N 7.79 4.58 0.00 2.90 2.79 0.00 0.00 6.80 6.85 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 *167 S 8.01 4.16 0.00 3.54 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 0.00 168 N 8.25 4.37 0.00 2.84 2.93 0.00 0.00 7.09 7.10 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 0.00 169 R 7.56 3.97 0.00 1.94 1.95 0.00 3.26 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 170 V 7.68 3.50 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 0.98 0.00 0.00 0.92 0.00 0.00 171 A 8.13 3.90 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 0.00 172 A 8.17 3.97 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 0.00 173 A 8.00 4.11 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 0.00 174 I 7.69 4.11 1.80 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.11 0.82 0.00 0.00 175 D 7.61 4.36 0.00 2.97 2.65 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 0.00 0.00 0.00 *177 R 8.39 4.32 0.00 2.00 2.07 0.00 3.70 0.00 0.00 3.51 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.68 0.00 178 P 0.00 4.00 0.00 1.84 1.36 0.00 3.87 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.87 0.00 179 N 8.59 4.38 0.00 2.09 2.66 0.00 0.00 6.51 8.08 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 0.00 180 D 8.70 4.45 0.00 2.80 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 0.00 181 E 8.06 3.97 0.00 1.79 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 2.29 2.39 0.00 182 Y 7.24 4.10 0.00 2.90 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 0.00 183 H 7.92 4.42 0.00 3.28 3.38 0.00 5.65 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 A 7.29 4.19 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 *186 A 7.35 4.18 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 0.00 187 R 7.73 4.25 0.00 1.79 1.82 0.00 3.43 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 1.65 1.54 0.00 * Residues marked with a * may have inaccurate shift predictions.