NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7944 8.3431 109.7331 45.4851 0.0000 174.5247 *2 G 4.0500 7.6873 106.3332 44.4262 0.0000 171.6358 3 K 5.3801 7.9025 117.9869 54.5867 34.8292 175.7508 4 E 4.7171 9.0506 120.1774 55.3637 33.4007 173.8218 5 I 4.4897 8.2105 122.2988 60.3668 38.7444 174.8242 6 E 4.3567 9.2390 129.4979 54.8953 31.0498 174.6830 7 I 4.4522 8.1501 129.1622 59.7172 38.9920 174.5444 8 E 5.0368 8.6247 127.5227 54.3794 32.6943 174.6424 9 R 4.6481 8.7471 125.2630 54.3404 33.6528 174.7759 10 K 4.9191 7.6807 119.0991 56.4569 35.5363 174.7511 11 T 4.7750 8.8428 115.3354 60.9066 71.1720 172.9429 12 L 4.8069 8.5295 127.8608 55.1608 42.4820 176.5390 13 V 4.8032 8.6121 114.3568 59.4834 36.2690 175.4092 14 S 4.4572 8.5533 116.5166 57.5620 64.1961 175.3151 15 K 2.6527 8.5382 121.3964 59.2735 31.8217 178.5560 16 E 3.8998 7.9481 117.3982 59.6621 29.5337 179.0665 17 T 3.8535 8.0413 116.7614 66.1888 68.5496 176.2771 18 F 4.0485 8.2824 122.7003 61.3829 39.2750 177.1342 19 K 3.9371 8.2464 119.2015 59.3775 31.8331 178.7804 20 R 3.8887 8.0219 119.1673 59.3394 30.0459 178.5206 21 L 3.8670 8.1328 119.1154 57.6145 41.4436 179.4579 22 I 3.6142 7.5647 119.8503 64.3209 37.0266 178.4323 23 S 4.0537 7.7429 113.8929 61.7176 62.1128 176.3399 24 Q 4.0924 8.1291 119.3918 58.7416 28.5919 177.2271 25 L 4.2776 7.9272 115.2603 54.6860 41.9414 176.1343 *26 H 4.0059 7.7130 115.0502 56.7170 26.5387 174.9232 27 I 4.1826 7.9259 119.7442 60.0855 38.3771 176.9202 28 G 3.9753 9.2376 117.3659 45.1420 0.0000 175.0349 29 E 4.1537 8.9512 116.0775 58.8710 29.7819 180.4836 30 G 3.9002 8.0473 106.4851 47.6359 0.0000 174.3432 31 D 4.4270 7.7842 119.0242 56.7503 41.0605 176.6907 32 F 4.3727 8.1040 118.5416 57.2265 39.4412 175.2878 33 K 4.7214 9.2509 123.8411 54.4886 35.0109 174.9486 34 L 5.1544 8.4815 125.8082 54.0118 43.4737 175.4904 35 Q 4.8206 9.2783 123.2310 54.5884 32.7941 173.7666 36 R 4.8804 8.8265 119.5229 54.5357 33.3688 174.3996 37 N 4.8427 8.9694 122.2780 51.9211 40.5505 173.6978 38 H 4.7288 8.9423 122.9247 54.6013 30.4123 174.1772 39 Y 5.3480 8.4211 122.1810 56.8275 39.8572 174.8304 40 F 5.4111 8.8256 121.3543 56.0574 42.1616 174.2044 41 E 4.8951 8.7364 120.6978 55.7569 33.7411 175.1458 42 T 4.6201 8.0434 113.8251 60.1182 70.2245 175.3860 43 D 3.9745 8.5236 122.1154 57.4427 40.7397 177.6536 44 D 4.5388 7.8317 114.6053 52.9465 40.7062 175.5224 45 F 3.8531 7.4524 117.9075 59.3281 36.5181 176.4990 46 Q 4.0522 8.6136 122.8427 59.0309 28.9221 178.7376 47 L 4.0299 8.4302 120.1187 57.5651 41.6436 179.4478 48 K 3.9745 8.4917 119.6081 59.5838 31.9712 179.0882 49 K 4.1440 7.9382 116.8830 58.4864 31.8833 178.2779 50 Q 4.5323 7.5475 116.4235 54.6665 29.3799 175.3288 51 S 3.7877 7.9579 113.9618 59.9583 60.8477 172.2074 52 S 5.1755 8.6876 113.7992 56.8029 67.0277 173.3775 53 A 4.9058 8.9586 122.3608 50.3725 22.7850 174.8413 54 L 5.2844 8.7776 123.9128 53.2056 45.0722 175.3263 55 R 5.6762 9.3143 121.7069 54.9470 33.9078 173.7593 56 I 5.1786 9.2915 121.1733 59.8528 39.6643 174.7030 57 R 4.9276 9.3800 128.5806 54.9783 32.1216 174.4201 58 E 4.5630 9.0100 127.0470 54.0928 32.4934 174.7531 59 K 4.3558 8.7650 128.6358 55.3923 35.5810 175.7161 60 E 3.4772 9.4578 129.0803 57.6797 26.8371 174.9582 61 A 3.6536 7.9584 115.1448 52.6353 16.8593 177.4564 62 I 4.4938 7.2470 119.0317 60.3760 39.5831 174.4800 63 F 5.2618 8.7686 123.4404 56.1516 41.7293 174.8349 64 T 5.0987 9.0479 119.4683 61.8015 72.2563 172.7097 65 F 5.4021 9.8622 130.5392 58.0297 40.9105 174.4792 66 T 5.0235 9.2838 122.7139 61.7991 72.4826 172.4853 67 L 4.9261 8.5579 128.3881 53.2267 44.7215 175.0074 68 K 5.1383 9.1345 125.2756 54.6488 35.2083 175.2431 69 Q 4.9990 8.7931 121.6747 52.2803 32.6305 172.8011 70 P 4.7063 0.0000 0.0000 63.5802 32.0637 175.4702 71 H 4.7495 8.6428 119.5637 54.3735 32.8244 171.5855 72 P 4.2114 0.0000 0.0000 65.1525 31.1980 176.2908 73 A 4.5872 7.8996 120.6295 50.9375 20.9133 177.0091 74 G 3.7865 8.4503 113.0606 46.6012 0.0000 172.3387 75 L 4.9315 8.0919 121.0078 52.6662 45.6317 175.7076 76 L 4.5246 8.6666 125.0458 54.4732 43.4130 174.8410 77 E 4.9869 9.4305 128.4671 54.9291 31.7988 174.4825 78 T 4.7281 8.7809 124.8076 62.1487 70.3837 173.2616 79 N 5.4683 9.3094 124.8769 51.6411 41.1311 174.6926 80 Q 4.5578 9.1117 123.4287 54.8220 32.8148 174.0093 81 T 4.6134 8.7731 123.5106 63.7271 69.1945 173.7587 82 L 5.1735 8.6478 125.2657 52.7788 45.2535 176.7000 83 S 4.4787 8.5640 115.7074 57.2368 64.4146 175.1817 84 K 2.9119 8.5314 121.4223 59.3884 31.5739 178.3358 85 Q 3.8003 7.8404 119.1151 59.3431 29.0108 178.1968 86 E 3.7622 7.8146 118.6620 59.1832 29.4312 179.2099 87 A 3.7060 7.8705 121.1328 54.8962 18.3334 179.6453 88 K 3.7049 7.9960 118.4665 59.4830 32.2809 178.8864 89 L 3.8467 7.9081 119.1974 57.7459 41.4183 179.4620 90 A 3.3783 7.5070 121.7401 54.3940 18.0255 179.7550 91 L 4.0290 7.7296 116.2758 57.8914 41.7707 179.0575 92 E 4.3494 8.3806 117.6891 57.6786 29.5440 177.4469 93 S 4.4527 7.7073 110.2162 56.7836 64.0220 173.9281 94 A 3.9619 7.5722 120.8094 53.5347 16.4159 177.3281 95 H 4.5654 7.0427 116.5038 55.9608 29.0651 174.7325 96 F 4.6420 8.3702 123.4299 54.8707 40.9410 174.1210 97 P 4.6285 0.0000 0.0000 61.7107 32.3772 176.3382 98 S 4.2977 8.4623 114.7053 58.0886 63.6962 175.0450 99 G 3.9559 8.1881 107.6834 44.9304 0.0000 172.1744 100 E 4.0435 8.3912 118.4357 59.4328 29.8394 179.3735 101 V 3.3879 7.5907 114.5381 63.7156 31.1819 177.1326 *103 D 4.5043 8.2633 119.3224 53.9357 42.5573 177.8322 104 A 3.9735 7.8601 120.5956 54.9067 18.2187 179.7563 105 L 3.8816 7.9345 117.6596 58.1255 41.7465 179.9780 106 R 3.9678 7.8766 117.4402 59.2336 29.8180 178.6799 107 D 4.4492 8.1536 118.0471 56.6258 40.8171 177.6544 108 L 4.3687 7.2856 117.3799 53.6585 41.9380 176.5236 109 S 3.7150 7.6892 113.7995 59.4670 60.8897 172.2312 110 I 3.9593 7.5402 121.5963 59.6395 37.4291 174.4435 111 P 4.4004 0.0000 0.0000 62.3882 31.1141 177.0674 112 I 3.7400 8.3891 126.2585 64.1355 37.2818 178.8756 113 S 4.2993 8.1018 113.6618 60.6349 62.8634 174.8687 114 Q 4.3442 8.0002 119.3567 56.4996 29.2150 175.4808 115 L 4.5255 7.5526 118.5126 54.7209 42.5845 176.4923 116 K 4.8952 8.7291 120.5983 55.7750 36.6658 174.4924 117 H 4.0112 8.9404 121.6989 56.3670 29.3759 174.8296 118 I 4.0201 8.6436 121.0015 60.8302 38.5340 175.8256 119 G 4.1142 6.3975 106.9275 46.5683 0.0000 171.0606 120 T 4.7998 8.1833 115.5470 61.3514 71.8666 173.5731 121 L 4.9489 8.2837 128.4668 53.4569 44.6935 175.1297 122 S 5.1790 8.9190 122.5064 57.6594 65.2198 173.3846 123 T 5.0457 9.0231 119.8978 61.8956 72.6319 172.7071 124 S 5.1788 9.5292 121.7644 56.9784 64.2054 172.6101 125 R 5.2848 9.5371 127.8683 54.4812 33.1282 173.7322 126 A 4.7019 8.3765 127.3275 49.9337 21.7275 174.9248 127 E 5.2206 8.5482 120.2999 54.4573 33.0880 175.3213 128 I 4.8479 8.4764 116.1899 58.8210 41.7522 174.4285 129 S 4.8036 8.7220 118.8190 58.3743 63.8921 172.7387 130 Y 4.6564 8.9758 126.1164 56.5244 41.9274 175.1003 131 E 3.7256 8.0586 129.6281 58.7227 28.8361 175.8537 132 Q 4.7030 9.1657 123.6962 55.4615 28.7294 175.3828 133 G 4.0436 8.6839 107.4894 46.3261 0.0000 171.5660 134 I 5.1398 7.7405 120.1828 59.3501 41.2591 174.4477 135 L 5.1543 9.1476 128.7913 53.6463 44.3236 174.5392 136 C 5.2269 9.3199 124.6064 58.0547 31.0196 172.8053 137 L 5.1622 8.9046 124.1357 53.4681 43.3727 175.1729 138 D 5.4743 10.1298 125.7178 52.8786 43.5849 174.9087 139 H 4.7890 9.4066 124.8678 54.6366 31.5293 173.5071 140 S 5.4402 8.7315 122.4019 56.6647 66.4866 173.4435 141 S 5.1152 9.0782 117.4485 56.8725 66.2694 172.4870 142 Y 5.0156 8.8388 118.6380 56.8417 41.5458 174.4082 143 L 3.4114 10.0975 121.6350 55.7615 39.5029 175.2494 144 G 3.9493 8.6230 107.3721 44.8584 0.0000 173.7300 145 I 4.2574 7.0153 112.8968 59.2330 39.9032 173.4762 146 E 4.9513 7.8442 116.9305 55.7787 32.5182 173.2761 147 D 4.5340 8.5562 118.9966 52.8820 43.5397 173.4081 148 Y 4.8617 8.3113 114.9147 56.2854 42.0461 174.5738 149 E 5.1835 9.3836 122.7361 55.0890 33.9453 173.3645 150 I 5.1540 8.7821 126.7037 59.5728 40.8649 174.0340 151 E 5.2422 9.2916 126.8785 54.6926 34.3661 173.8665 152 F 5.2971 9.2091 125.7185 56.5610 42.2057 173.9446 153 E 4.4903 8.9973 127.1430 55.1899 30.5266 176.0325 154 G 4.1773 8.7076 112.8630 45.0794 0.0000 172.2580 155 T 4.5242 8.5602 112.6611 62.0845 69.1592 174.8661 156 S 4.8204 7.6358 115.0065 55.6100 67.4055 174.5467 157 E 4.0038 8.7577 123.3929 59.6756 29.1872 179.6045 158 E 3.9704 8.1184 117.9926 59.8993 29.6321 178.8365 159 H 4.2413 8.2643 117.5120 59.0040 29.9072 177.0867 160 A 4.4090 8.4337 122.9393 55.4438 18.1483 179.7524 161 T 3.9217 7.9214 113.7390 66.8080 68.5885 176.9376 162 V 3.5995 7.5978 119.8521 66.5142 31.5802 178.2133 163 T 3.8439 8.2670 115.6745 66.5415 68.2311 176.5867 164 F 4.0948 8.3358 122.6203 61.3372 39.5452 177.3035 165 Q 3.9392 8.4438 117.9152 58.7531 28.4498 178.4514 166 E 3.9028 8.1661 120.5086 59.2118 29.6805 178.8732 167 I 3.7972 7.6587 119.8059 64.4756 37.1654 178.3772 168 L 3.8333 7.5614 119.6862 57.4775 41.4897 179.6583 169 K 3.8461 7.8749 119.2274 59.7826 32.0170 179.0231 170 T 3.6064 8.0816 114.7821 66.4456 68.3400 175.2620 171 F 4.4409 8.1161 116.4332 56.3334 39.5402 176.1502 172 S 3.6640 7.3582 115.4150 59.5806 60.5073 172.8444 173 I 4.3082 8.1153 119.9244 59.5133 38.5132 176.4281 174 S 4.3929 8.5293 120.9911 57.3702 63.7097 173.8220 175 Q 4.3021 8.5044 126.6568 55.7317 29.6795 175.1629 176 V 4.6075 8.2587 116.5469 58.3515 35.6484 173.8593 177 P 4.2488 0.0000 0.0000 63.6710 31.2878 176.1948 178 T 4.4138 8.2023 118.4659 61.7352 70.8799 173.5228 179 E 4.3033 8.5087 124.5868 55.0626 31.0851 176.8695 180 N 4.4318 8.2669 116.4599 52.7920 40.4936 176.1861 181 K 3.6376 8.5393 122.7779 60.0564 32.1975 179.3349 182 I 2.6788 7.3021 117.7385 63.6708 37.6503 177.7680 183 Q 2.7834 7.2067 118.4142 58.4251 28.2080 178.4477 184 R 3.9072 8.2756 120.7540 58.5684 29.9810 178.5258 185 F 3.7405 8.0033 121.4800 60.9119 39.4073 176.7673 186 F 4.5988 7.9412 113.7654 58.6411 38.1995 177.6924 187 S 4.2318 8.3323 115.9875 61.2273 62.5779 176.3893 188 K 4.0054 7.5222 121.5334 59.1535 32.0747 178.2551 189 K 4.0025 7.8196 121.2073 60.1056 32.1535 176.8215 190 E 4.1975 8.4668 118.8515 56.0883 29.6845 178.1475 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 0 G 8.34 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 *2 G 7.69 4.05 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 0.00 0.00 0.00 3 K 7.90 5.38 0.00 1.60 1.67 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.38 7.81 4 E 9.05 4.72 0.00 1.94 1.96 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 2.16 2.25 0.00 5 I 8.21 4.49 1.84 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.82 0.92 0.00 0.00 6 E 9.24 4.36 0.00 1.96 1.80 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 2.17 2.21 0.00 7 I 8.15 4.45 1.93 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 1.21 0.70 1.04 0.00 0.00 8 E 8.62 5.04 0.00 1.83 1.69 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 0.00 2.06 2.22 0.00 9 R 8.75 4.65 0.00 1.01 0.66 0.00 3.32 0.00 0.00 3.13 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.88 0.00 10 K 7.68 4.92 0.00 1.86 1.63 0.00 1.56 0.00 0.00 1.76 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.18 1.37 7.81 11 T 8.84 4.77 4.51 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 1.41 0.00 0.00 12 L 8.53 4.81 0.00 1.66 1.66 0.96 1.01 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 13 V 8.61 4.80 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 0.80 0.00 0.00 1.21 0.00 0.00 14 S 8.55 4.46 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 15 K 8.54 2.65 0.00 1.67 1.69 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.26 1.05 7.81 16 E 7.95 3.90 0.00 2.29 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 0.00 2.36 1.97 0.00 17 T 8.04 3.85 4.28 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 1.24 0.00 0.00 18 F 8.28 4.05 0.00 3.08 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 19 K 8.25 3.94 0.00 1.93 1.90 0.00 1.65 0.00 0.00 1.54 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.42 7.81 20 R 8.02 3.89 0.00 2.02 2.07 0.00 3.17 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 1.68 0.00 21 L 8.13 3.87 0.00 1.65 1.43 0.85 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.56 3.61 1.97 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.38 1.03 0.00 0.00 23 S 7.74 4.05 0.00 3.83 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 24 Q 8.13 4.09 0.00 2.18 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.75 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 25 L 7.93 4.28 0.00 1.62 1.64 0.61 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 *26 H 7.71 4.01 0.00 3.34 3.15 0.00 7.20 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 I 7.93 4.18 1.98 0.00 0.00 0.71 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 0.62 0.82 0.00 0.00 28 G 9.24 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 29 E 8.95 4.15 0.00 1.91 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 2.32 1.89 0.00 30 G 8.05 3.90 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 0.00 0.00 0.00 31 D 7.78 4.43 0.00 2.81 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 32 F 8.10 4.37 0.00 3.16 3.10 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 0.00 0.00 0.00 0.00 33 K 9.25 4.72 0.00 1.61 1.69 0.00 1.82 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.48 7.81 34 L 8.48 5.15 0.00 1.66 1.56 0.98 0.67 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 35 Q 9.28 4.82 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.52 0.00 0.00 0.00 0.00 0.00 2.44 2.30 0.00 36 R 8.83 4.88 0.00 1.67 1.64 0.00 3.10 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.52 0.00 37 N 8.97 4.84 0.00 2.15 2.31 0.00 0.00 6.54 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 H 8.94 4.73 0.00 3.20 2.99 0.00 5.60 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Y 8.42 5.35 0.00 2.65 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 40 F 8.83 5.41 0.00 3.07 3.12 0.00 0.00 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1.81 1.95 0.00 1.29 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.41 7.81 117 H 8.94 4.01 0.00 2.96 3.19 0.00 5.74 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 I 8.64 4.02 2.06 0.00 0.00 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 1.38 0.83 0.96 0.00 0.00 119 G 6.40 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 0.00 0.00 0.00 0.00 120 T 8.18 4.80 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 0.93 0.00 0.00 121 L 8.28 4.95 0.00 1.84 1.40 0.50 0.99 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 0.00 122 S 8.92 5.18 0.00 3.82 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 0.00 123 T 9.02 5.05 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 1.31 0.00 0.00 124 S 9.53 5.18 0.00 3.91 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 0.00 125 R 9.54 5.28 0.00 1.90 1.74 0.00 3.09 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.67 0.00 126 A 8.38 4.70 0.09 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 0.00 127 E 8.55 5.22 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 2.15 2.20 0.00 128 I 8.48 4.85 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.43 0.87 0.00 0.00 129 S 8.72 4.80 0.00 3.93 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 0.00 130 Y 8.98 4.66 0.00 3.16 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 0.00 131 E 8.06 3.73 0.00 2.20 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 1.47 2.10 0.00 132 Q 9.17 4.70 0.00 2.05 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.69 0.00 0.00 0.00 0.00 0.00 2.19 1.90 0.00 133 G 8.68 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 0.00 134 I 7.74 5.14 1.89 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.96 1.00 0.00 0.00 135 L 9.15 5.15 0.00 1.89 1.57 1.04 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 136 C 9.32 5.23 0.00 3.00 2.97 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 0.00 137 L 8.90 5.16 0.00 1.48 1.66 0.61 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 138 D 10.13 5.47 0.00 2.75 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 0.00 139 H 9.41 4.79 0.00 2.89 3.16 0.00 5.55 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 S 8.73 5.44 0.00 4.05 3.82 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 0.00 141 S 9.08 5.12 0.00 3.71 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 0.00 142 Y 8.84 5.02 0.00 3.31 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 0.00 143 L 10.10 3.41 0.00 1.69 1.68 0.24 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 144 G 8.62 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 0.00 0.00 0.00 145 I 7.02 4.26 1.63 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 0.90 0.01 0.76 0.00 0.00 146 E 7.84 4.95 0.00 1.89 1.75 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 2.07 2.13 0.00 147 D 8.56 4.53 0.00 2.78 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 0.00 148 Y 8.31 4.86 0.00 3.05 2.27 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 0.00 149 E 9.38 5.18 0.00 2.06 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 2.34 2.35 0.00 150 I 8.78 5.15 1.99 0.00 0.00 0.71 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 1.44 1.09 0.00 0.00 151 E 9.29 5.24 0.00 1.90 1.80 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 2.22 2.30 0.00 152 F 9.21 5.30 0.00 3.33 2.97 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 0.00 153 E 9.00 4.49 0.00 1.72 1.66 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 2.14 2.11 0.00 154 G 8.71 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 0.00 0.00 0.00 0.00 155 T 8.56 4.52 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 1.23 0.00 0.00 156 S 7.64 4.82 0.00 4.07 3.93 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 0.00 157 E 8.76 4.00 0.00 2.03 2.07 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 2.42 2.37 0.00 158 E 8.12 3.97 0.00 2.02 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 2.43 2.33 0.00 159 H 8.26 4.24 0.00 3.30 3.36 0.00 5.59 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 A 8.43 4.41 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 0.00 0.00 0.00 0.00 0.00 0.00 161 T 7.92 3.92 4.44 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 1.28 0.00 0.00 162 V 7.60 3.60 2.22 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 1.02 0.00 0.00 0.99 0.00 0.00 163 T 8.27 3.84 3.82 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 0.74 0.00 0.00 164 F 8.34 4.09 0.00 3.27 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 0.00 165 Q 8.44 3.94 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.66 2.56 0.00 166 E 8.17 3.90 0.00 2.10 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 2.30 2.51 0.00 167 I 7.66 3.80 1.62 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.46 0.66 0.00 0.00 168 L 7.56 3.83 0.00 1.67 1.74 0.82 0.35 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 0.00 169 K 7.87 3.85 0.00 1.93 1.86 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.43 7.81 170 T 8.08 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 0.39 0.00 0.00 171 F 8.12 4.44 0.00 3.12 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 0.00 172 S 7.36 3.66 0.00 4.01 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 0.00 173 I 8.12 4.31 1.80 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 1.40 0.78 0.93 0.00 0.00 174 S 8.53 4.39 0.00 3.99 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 0.00 175 Q 8.50 4.30 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.82 0.00 0.00 0.00 0.00 0.00 2.43 2.53 0.00 176 V 8.26 4.61 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 0.82 0.00 0.00 1.02 0.00 0.00 177 P 0.00 4.25 0.00 2.19 2.10 0.00 3.74 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 178 T 8.20 4.41 4.27 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 1.26 0.00 0.00 179 E 8.51 4.30 0.00 2.01 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 2.22 2.29 0.00 180 N 8.27 4.43 0.00 2.62 2.65 0.00 0.00 6.77 7.68 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 0.00 181 K 8.54 3.64 0.00 1.73 1.81 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.49 7.81 182 I 7.30 2.68 1.08 0.00 0.00 0.71 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 -0.21 0.60 0.00 0.00 183 Q 7.21 2.78 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.67 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 184 R 8.28 3.91 0.00 1.71 1.95 0.00 3.17 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 185 F 8.00 3.74 0.00 2.81 2.74 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 0.00 186 F 7.94 4.60 0.00 3.29 3.63 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 0.00 187 S 8.33 4.23 0.00 4.08 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 0.00 188 K 7.52 4.01 0.00 2.07 2.00 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.56 7.81 189 K 7.82 4.00 0.00 1.65 2.11 0.00 2.14 0.00 0.00 2.06 0.00 0.00 3.24 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.56 1.51 7.81 190 E 8.47 4.20 0.00 2.00 1.70 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 2.26 2.12 0.00 * Residues marked with a * may have inaccurate shift predictions.