NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4240 8.2649 122.4685 51.6311 19.9674 176.6590 2 D 4.4079 8.7429 121.6931 54.2198 42.7185 173.4919 3 T 5.1960 8.4157 116.1397 61.8538 72.8602 172.3425 4 L 5.3672 9.5491 128.8425 53.6143 44.2314 174.5689 5 L 4.8402 9.2175 129.6755 53.8960 44.0930 175.0008 6 I 4.7596 8.7252 127.7795 59.8681 39.1422 174.6676 7 L 4.7359 9.1609 131.8822 54.0040 43.1676 175.0101 8 G 4.7557 8.4279 113.4247 45.5034 0.0000 168.7922 9 D 5.0488 9.0038 114.9695 54.7138 41.9342 177.9994 *11 L 4.6198 7.5686 121.7010 53.3312 43.9690 178.0595 12 S 4.6118 8.2909 112.3362 59.4616 64.4242 175.1937 13 A 3.9621 8.3750 122.7629 52.8910 18.5613 178.2956 14 G 3.9649 8.4397 102.4506 46.2140 0.0000 172.0362 15 Y 4.4826 8.2585 122.9318 56.5231 40.1461 175.2817 16 R 3.6950 8.6339 125.9427 56.7559 27.3579 175.5851 17 M 4.7595 7.5104 112.7209 53.7030 34.2666 174.2707 18 S 4.3260 8.3356 113.7384 57.6278 64.3385 175.1762 19 A 4.1298 8.4660 124.4991 55.1682 18.3412 180.2239 20 S 4.0799 7.4190 110.2169 60.7745 63.0488 175.2220 21 A 4.2244 7.6263 122.2408 52.7989 19.3619 177.4353 22 A 4.4005 7.5832 119.7193 51.0364 19.2464 178.4310 23 W 4.2534 9.0161 118.6151 59.5289 27.7740 177.1743 24 P 3.6918 0.0000 0.0000 64.8784 30.4927 178.3628 25 A 3.9240 7.6777 119.9126 54.9224 18.2853 179.7011 26 L 4.0483 7.5951 117.2154 57.6920 41.7932 179.2253 27 L 3.6365 8.0851 120.7310 57.8837 41.7293 178.4989 28 N 4.3448 7.8655 116.2584 56.7757 38.9244 176.3364 29 D 4.4954 7.6067 119.7762 57.0625 40.9910 178.2906 30 K 4.1971 7.7271 118.5026 57.4704 33.5692 177.7658 31 W 4.8988 7.4241 119.3773 55.0496 27.2555 176.3759 *33 S 4.4808 7.5934 116.3514 57.3440 65.7380 173.3378 34 K 4.5288 7.7916 129.5342 56.5658 40.3500 179.2823 35 T 4.1404 9.3380 111.0307 63.8164 69.5281 173.1218 36 S 4.6634 9.3533 121.9303 57.2937 64.0241 172.6658 37 V 4.7827 8.9435 127.9811 61.3667 32.8595 174.8997 38 V 4.1038 8.5609 128.7728 61.3116 33.2803 174.2634 39 N 4.7093 8.7753 128.0079 51.9632 37.9678 175.0028 40 A 4.6370 8.0982 133.8724 51.0894 16.9874 176.6024 41 S 5.5987 7.5211 115.4666 55.6513 66.7473 176.0257 42 I 4.6110 8.0710 122.7337 59.1531 40.7176 174.9648 43 S 4.3746 8.9231 121.8214 60.1607 62.6044 174.1950 44 G 4.1088 9.0512 115.6948 45.3702 0.0000 173.5199 45 D 4.6607 7.7754 120.0603 54.9478 41.3587 177.1403 46 T 4.6089 9.0763 115.4860 60.4932 71.9075 176.0983 47 S 4.1948 8.8677 116.3213 61.5913 62.7128 176.5682 48 Q 3.8748 7.9630 122.6960 59.1637 28.7412 177.8751 49 Q 4.2085 8.0025 117.8586 58.6778 28.9499 178.9071 50 G 3.7271 8.1470 107.0580 47.7600 0.0000 175.5818 51 L 3.9811 8.0090 123.0105 57.8004 41.7837 178.9641 52 A 4.0565 7.9394 119.9784 54.7592 18.5369 179.1688 53 R 4.1827 7.9326 115.9097 57.6993 30.3053 178.4688 54 L 3.9171 7.3912 120.2748 57.9711 42.1052 176.7228 55 P 4.1903 0.0000 0.0000 66.0351 31.2449 178.1790 56 A 3.9987 7.9555 118.3750 55.1989 18.3408 179.3999 57 L 3.9643 7.7599 117.0464 57.9368 41.6585 179.6620 58 L 4.0063 8.2756 119.3679 57.7340 41.5163 179.5182 59 K 4.1404 7.8315 115.8931 58.6128 32.6046 177.6898 60 Q 4.2459 7.5673 119.9076 57.8710 29.8943 176.0058 61 H 4.6673 8.4134 114.7550 54.6674 30.9422 174.7206 62 Q 3.2606 8.2838 120.2101 56.1704 26.5445 172.3608 63 P 4.5368 0.0000 0.0000 62.7751 32.9399 177.1367 64 R 3.8514 8.1201 119.0025 57.7657 31.2476 176.6783 65 W 5.5002 7.7873 117.0884 54.7265 33.7523 174.7432 66 V 4.8894 8.9408 123.0589 61.1189 34.0229 173.9699 67 L 4.9786 9.4001 131.5317 54.1973 43.4737 175.2320 68 V 4.5857 8.9687 128.0161 61.8118 33.2531 174.4480 69 E 5.2939 9.4186 129.1623 54.1571 30.0849 173.9563 70 L 5.0379 8.5401 121.9232 53.2823 46.5779 174.9444 71 G 4.4761 8.9622 110.9920 47.1545 0.0000 176.6853 72 G 3.7551 8.4117 108.4787 48.3598 0.0000 174.1810 73 N 4.5754 8.2369 116.6508 55.3147 39.1490 175.0841 74 D 4.6764 7.9416 118.9883 55.1538 41.1270 176.0788 75 G 4.2160 8.8997 110.5878 45.4792 0.0000 173.7898 76 L 4.6093 7.7845 119.6426 54.6698 44.2068 176.9167 77 R 4.2278 9.5729 116.9319 56.6472 30.9897 174.7899 78 G 3.0576 6.8864 109.8090 45.0847 0.0000 172.3777 79 F 5.3387 7.6078 117.9146 55.0600 42.9561 174.6687 80 Q 4.9335 8.9774 120.4561 53.3245 32.8359 175.0535 81 P 4.4755 0.0000 0.0000 66.2945 31.2732 178.9747 82 Q 3.9849 8.1305 116.0728 59.1279 28.7036 178.6998 83 Q 3.9502 8.0732 118.4019 59.2161 28.8664 178.5757 84 T 3.8112 8.3194 117.1739 66.7727 68.5492 176.0693 85 E 3.7404 8.5342 121.3866 59.3115 29.5982 178.7319 86 Q 3.9243 7.9982 119.4045 59.3161 29.2702 178.1050 87 T 3.7505 8.1002 117.1336 66.8213 68.5623 176.6426 88 L 3.9554 7.9420 120.6860 57.4779 41.5435 179.5608 89 R 3.7697 7.7721 118.8442 59.6134 30.0665 178.6577 90 Q 4.2659 7.9071 119.0323 58.3592 28.6262 178.5891 91 I 3.6345 7.5340 120.4872 64.5500 37.1650 178.3505 92 L 3.7782 7.6230 119.4645 57.7235 40.9068 179.6836 93 Q 4.1057 7.7650 117.7686 59.2645 28.6154 178.6108 94 D 4.4517 8.6534 120.1506 57.2562 40.8025 179.1655 95 V 3.6067 7.9739 118.8640 65.9565 31.5006 178.3055 96 K 4.1342 8.2746 118.1123 59.4671 31.7173 179.2169 97 A 4.0330 8.4380 119.9081 54.2434 18.2289 178.3804 98 A 4.4461 7.2864 117.8829 51.2620 19.1266 176.7252 99 N 4.1264 8.0934 114.2323 54.8909 36.7728 173.8296 100 A 4.8376 7.6578 118.6375 50.2231 21.8938 177.0470 101 E 4.4663 9.4183 121.1748 54.7082 30.8773 174.3965 102 P 4.8170 0.0000 0.0000 62.4329 32.6378 176.2559 103 L 4.6975 9.2988 123.8272 52.9486 44.6853 175.0587 104 L 4.7579 8.5315 126.7727 54.1764 43.7072 174.7926 105 M 5.0181 8.4454 126.1827 53.5963 33.8903 175.3231 106 Q 3.6278 8.7609 127.9111 56.2079 29.8109 175.3110 107 I 3.4181 6.1139 125.6960 58.9867 40.2171 174.9107 108 R 4.5333 6.6540 124.0784 54.4477 33.1640 174.3347 109 L 4.3692 7.9814 122.6353 51.9127 43.9136 174.7014 110 P 4.2051 0.0000 0.0000 62.4027 31.7803 176.6765 111 A 4.0773 8.6459 124.7884 55.1316 18.6696 178.4543 112 N 4.8056 7.8145 114.3290 51.5367 35.9366 174.0555 113 Y 4.6468 8.1785 117.9562 56.8397 42.1607 173.8242 114 G 4.3758 8.2378 112.6963 44.9382 0.0000 172.6800 115 R 3.9639 7.7481 123.6759 58.5456 30.8439 178.0136 116 R 4.3945 7.7632 116.7591 57.1951 30.9291 177.9810 117 Y 4.3330 7.9743 120.2073 60.7735 38.8845 177.3633 118 N 4.1609 7.8586 116.9343 56.3819 38.6933 177.1666 119 E 3.9952 8.2321 119.1838 59.3640 29.3688 179.2117 120 A 4.0081 7.7522 119.5329 54.9771 18.8913 179.2084 121 F 4.1270 8.3135 119.4117 61.6850 39.0129 177.4319 122 S 4.1606 8.7594 114.8385 61.7088 62.6516 176.7130 123 A 4.0750 8.1489 123.0731 54.7432 18.0173 179.4962 124 I 3.4468 7.4011 118.5955 64.7914 37.0736 178.0777 125 Y 3.8496 7.3426 116.3740 60.6552 37.7498 176.7776 126 P 4.3242 0.0000 0.0000 65.2360 31.4611 178.5930 127 K 3.8970 7.9995 118.4549 59.6403 32.1109 178.9092 128 L 4.2119 7.9717 119.0008 57.7840 41.4573 179.3500 129 A 4.0680 8.3495 120.9769 55.0723 18.1400 179.6055 130 K 3.9479 8.2012 118.1660 59.2640 32.0938 178.6609 131 E 3.8315 8.5384 119.6619 58.9388 29.5597 177.4098 132 F 4.3630 8.6539 114.2836 56.4994 39.9255 174.8365 133 D 4.4273 7.5791 119.5340 55.8887 39.6431 172.6263 134 V 4.6736 7.7733 110.5179 58.5985 35.5523 175.6900 135 P 4.3710 0.0000 0.0000 62.8526 32.5501 175.4778 136 L 4.9292 8.3960 125.4267 53.1134 43.5845 175.8170 137 L 4.3803 8.9766 127.1391 53.8914 42.9550 175.4092 138 P 4.8422 0.0000 0.0000 62.1356 32.9588 176.1683 139 F 4.5733 8.7969 124.3492 57.7123 39.3305 176.2061 140 F 2.8491 8.2219 124.9592 59.5997 37.3498 176.9473 141 M 3.3050 5.8600 118.1320 57.0626 31.1410 178.1014 142 E 3.8595 6.8809 118.3554 59.4218 29.4589 178.7494 143 E 4.0930 7.6180 118.6941 59.1243 29.4549 179.5154 144 V 3.6996 7.2670 117.9958 66.1653 31.4524 177.4953 145 Y 4.3766 7.5534 115.7325 60.8948 37.7593 177.8892 146 L 4.4938 7.4247 116.7454 54.6815 42.6940 177.4463 147 K 4.1505 7.8946 119.5100 53.0466 33.0436 174.5775 148 P 4.3020 0.0000 0.0000 65.4438 31.5138 178.6511 149 Q 4.1624 7.8762 113.7782 57.6840 28.6955 176.5314 150 W 5.1208 8.5161 118.8087 56.8079 29.7841 175.0599 151 M 4.9845 7.8298 118.5156 53.4966 33.7798 175.9934 152 Q 4.4413 8.8739 121.5751 55.1147 29.9166 176.8546 153 D 4.5351 8.8920 119.4996 57.9064 40.7656 178.1872 154 D 4.4379 8.2546 115.5742 53.6112 39.6003 176.4694 155 G 4.0397 8.4948 108.0431 46.6268 0.0000 173.8767 156 I 4.3137 9.1421 119.5186 62.5495 39.4305 175.8795 157 H 4.8627 8.0147 116.9727 53.5002 30.1051 173.0348 158 P 4.8709 0.0000 0.0000 62.6103 32.0455 176.6320 159 N 4.8586 8.5439 119.4648 51.9323 41.1151 175.7629 160 R 4.0518 8.4115 118.0032 59.8807 29.9043 178.8431 161 D 4.3763 8.1920 116.4072 57.0530 41.0835 178.1364 162 A 3.0006 7.9036 121.0276 53.9271 18.4446 179.3543 163 Q 3.9079 7.6904 116.7061 58.8384 28.7415 177.4416 164 P 4.1082 0.0000 0.0000 65.5443 31.3268 178.1920 165 F 3.8989 7.7445 118.6940 61.4058 39.1539 177.0408 166 I 2.9851 7.5630 118.9392 63.9220 36.6807 178.1958 167 A 3.8960 8.2531 121.8553 55.3155 18.2195 179.4656 168 D 4.1076 8.0067 117.4624 57.0777 40.8449 178.7619 169 W 3.7497 7.8135 129.1527 60.6843 30.5912 177.9901 170 M 3.9162 8.3239 118.7552 58.0460 31.2868 178.4509 171 A 3.9251 7.8921 121.1066 55.2077 18.3087 179.8513 172 K 3.8246 7.5899 115.5521 59.7279 32.1546 179.3831 173 Q 3.8333 7.3672 117.1967 58.6617 28.8766 178.2671 174 L 4.1440 8.4204 120.0822 56.6541 41.6067 178.7442 175 Q 3.8295 8.1088 120.2721 59.2146 28.6796 177.6216 176 P 4.2053 0.0000 0.0000 65.1475 31.5075 178.1704 177 L 4.1510 7.6498 116.5724 56.0603 41.6959 177.3576 178 V 3.2086 6.9364 116.7784 61.4589 32.8737 176.0787 *180 H 4.5315 8.4407 119.4861 54.8498 28.5131 172.8248 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 A 8.26 4.42 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 2 D 8.74 4.41 0.00 2.98 2.33 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 3 T 8.42 5.20 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 1.32 0.00 0.00 4 L 9.55 5.37 0.00 2.11 1.83 1.22 0.57 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 5 L 9.22 4.84 0.00 1.80 1.59 0.97 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.73 4.76 1.81 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.52 0.94 0.00 0.00 7 L 9.16 4.74 0.00 1.77 1.62 0.96 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 8 G 8.43 4.76 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 0.00 0.00 0.00 9 D 9.00 5.05 0.00 2.94 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 *11 L 7.57 4.62 0.00 2.28 2.17 1.06 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.29 4.61 0.00 3.91 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.38 3.96 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 14 G 8.44 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 0.00 0.00 0.00 15 Y 8.26 4.48 0.00 2.84 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 16 R 8.63 3.70 0.00 1.88 1.89 0.00 3.18 0.00 0.00 2.72 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.35 0.00 17 M 7.51 4.76 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 18 S 8.34 4.33 0.00 3.99 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 19 A 8.47 4.13 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 20 S 7.42 4.08 0.00 4.15 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 21 A 7.63 4.22 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 7.58 4.40 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 W 9.02 4.25 0.00 3.43 3.27 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 24 P 0.00 3.69 0.00 1.63 1.41 0.00 2.91 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.44 0.00 25 A 7.68 3.92 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 26 L 7.60 4.05 0.00 1.80 1.66 0.88 0.50 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 27 L 8.09 3.64 0.00 1.65 1.62 -0.47 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 28 N 7.87 4.34 0.00 2.80 2.94 0.00 0.00 7.28 7.77 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 29 D 7.61 4.50 0.00 2.75 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 K 7.73 4.20 0.00 1.68 1.78 0.00 1.70 0.00 0.00 1.60 0.00 0.00 3.12 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.61 1.52 7.81 31 W 7.42 4.90 0.00 3.40 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 *33 S 7.59 4.48 0.00 3.92 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 34 K 7.79 4.53 0.00 1.74 1.12 0.00 1.66 0.00 0.00 1.37 0.00 0.00 2.64 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.25 1.41 7.81 35 T 9.34 4.14 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 1.45 0.00 0.00 36 S 9.35 4.66 0.00 3.97 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 37 V 8.94 4.78 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 0.73 0.00 0.00 1.07 0.00 0.00 38 V 8.56 4.10 1.99 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 0.74 0.00 0.00 0.85 0.00 0.00 39 N 8.78 4.71 0.00 2.55 2.61 0.00 0.00 7.12 7.96 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 40 A 8.10 4.64 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 S 7.52 5.60 0.00 3.77 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 42 I 8.07 4.61 2.08 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.96 0.94 0.00 0.00 43 S 8.92 4.37 0.00 3.92 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 44 G 9.05 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 45 D 7.78 4.66 0.00 2.97 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 46 T 9.08 4.61 4.63 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 1.41 0.00 0.00 47 S 8.87 4.19 0.00 4.08 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 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0.00 0.00 98 A 7.29 4.45 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 99 N 8.09 4.13 0.00 2.84 2.88 0.00 0.00 6.69 8.18 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 0.00 100 A 7.66 4.84 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 0.00 101 E 9.42 4.47 0.00 2.14 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 2.36 2.32 0.00 102 P 0.00 4.82 0.00 1.93 1.95 0.00 3.68 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 2.03 2.12 0.00 103 L 9.30 4.70 0.00 1.60 1.64 0.97 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 104 L 8.53 4.76 0.00 1.81 1.60 1.05 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 105 M 8.45 5.02 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.54 0.00 106 Q 8.76 3.63 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 0.00 115 R 7.75 3.96 0.00 1.86 1.92 0.00 3.39 0.00 0.00 3.24 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 116 R 7.76 4.39 0.00 1.91 2.01 0.00 3.17 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 117 Y 7.97 4.33 0.00 3.04 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 0.00 118 N 7.86 4.16 0.00 2.93 2.86 0.00 0.00 7.04 7.54 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 0.00 119 E 8.23 4.00 0.00 2.17 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 2.42 0.00 120 A 7.75 4.01 1.47 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 0.00 121 F 8.31 4.13 0.00 2.65 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 0.00 122 S 8.76 4.16 0.00 3.94 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 0.00 123 A 8.15 4.07 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 I 7.40 3.45 1.26 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.87 0.36 0.00 0.00 125 Y 7.34 3.85 0.00 3.11 2.98 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 0.00 126 P 0.00 4.32 0.00 2.18 2.13 0.00 3.79 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.31 0.00 127 K 8.00 3.90 0.00 1.83 1.90 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.48 7.81 128 L 7.97 4.21 0.00 1.72 1.73 0.71 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 129 A 8.35 4.07 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 0.00 130 K 8.20 3.95 0.00 1.96 1.97 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.45 7.81 131 E 8.54 3.83 0.00 1.96 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 1.55 2.01 0.00 132 F 8.65 4.36 0.00 3.02 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 D 7.58 4.43 0.00 2.76 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 V 7.77 4.67 2.32 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 0.89 0.00 0.00 1.04 0.00 0.00 135 P 0.00 4.37 0.00 2.11 1.99 0.00 3.78 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.13 0.00 136 L 8.40 4.93 0.00 1.65 1.61 1.08 1.06 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 0.00 137 L 8.98 4.38 0.00 1.78 1.72 1.03 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 138 P 0.00 4.84 0.00 2.42 2.18 0.00 3.82 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 139 F 8.80 4.57 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 0.00 140 F 8.22 2.85 0.00 1.72 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 M 5.86 3.31 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.03 0.00 142 E 6.88 3.86 0.00 1.89 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 2.53 2.58 0.00 143 E 7.62 4.09 0.00 1.94 2.10 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 2.23 2.22 0.00 144 V 7.27 3.70 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 1.23 0.00 0.00 0.97 0.00 0.00 145 Y 7.55 4.38 0.00 3.08 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 0.00 146 L 7.42 4.49 0.00 1.63 1.63 0.92 0.82 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 0.00 147 K 7.89 4.15 0.00 1.37 0.74 0.00 0.74 0.00 0.00 1.14 0.00 0.00 2.50 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.80 0.21 7.81 148 P 0.00 4.30 0.00 2.11 2.09 0.00 3.44 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 149 Q 7.88 4.16 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.96 0.00 0.00 0.00 0.00 0.00 1.81 2.09 0.00 150 W 8.52 5.12 0.00 3.43 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 0.00 151 M 7.83 4.98 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.89 0.00 152 Q 8.87 4.44 0.00 2.44 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.70 0.00 0.00 0.00 0.00 0.00 2.49 2.61 0.00 153 D 8.89 4.54 0.00 2.70 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 0.00 154 D 8.25 4.44 0.00 2.78 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 0.00 155 G 8.49 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 0.00 156 I 9.14 4.31 1.72 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 1.21 0.88 0.64 0.00 0.00 157 H 8.01 4.86 0.00 3.31 3.29 0.00 5.81 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 P 0.00 4.87 0.00 2.24 2.12 0.00 3.92 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 159 N 8.54 4.86 0.00 2.91 2.99 0.00 0.00 6.96 7.21 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 0.00 160 R 8.41 4.05 0.00 1.88 2.01 0.00 3.14 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 161 D 8.19 4.38 0.00 2.90 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 0.00 162 A 7.90 3.00 1.23 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 0.00 0.00 163 Q 7.69 3.91 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.66 2.78 0.00 164 P 0.00 4.11 0.00 2.05 2.04 0.00 3.56 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 165 F 7.74 3.90 0.00 2.48 2.30 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 0.00 166 I 7.56 2.99 1.53 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.33 -1.13 0.00 0.00 167 A 8.25 3.90 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 0.00 168 D 8.01 4.11 0.00 2.61 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 0.00 169 W 7.81 3.75 0.00 2.43 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 0.00 170 M 8.32 3.92 0.00 1.72 1.82 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 1.00 1.87 0.00 171 A 7.89 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 0.00 172 K 7.59 3.82 0.00 1.57 1.64 0.00 1.52 0.00 0.00 1.56 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.51 7.81 173 Q 7.37 3.83 0.00 1.78 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.01 0.00 0.00 0.00 0.00 0.00 1.35 1.16 0.00 174 L 8.42 4.14 0.00 1.93 1.85 1.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 175 Q 8.11 3.83 0.00 2.32 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 176 P 0.00 4.21 0.00 2.00 2.04 0.00 3.79 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.10 0.00 177 L 7.65 4.15 0.00 1.59 1.61 0.94 0.72 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 0.00 178 V 6.94 3.21 1.01 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 -0.42 0.00 0.00 0.42 0.00 0.00 *180 H 8.44 4.53 0.00 2.67 2.88 0.00 5.87 0.00 0.00 0.00 0.00 6.91 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.