NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.3152 8.1749 117.3722 62.9313 69.9365 172.7680 4 R 3.6324 8.2648 120.9686 53.3912 30.6523 174.3874 5 P 4.3345 0.0000 0.0000 62.7878 32.9199 175.3471 6 R 4.3666 7.5862 117.0146 54.1476 33.1737 175.3032 7 F 4.9334 8.3811 118.8815 55.4903 41.9076 174.0970 8 L 4.7630 8.9849 127.1184 53.2297 44.7729 174.4230 9 E 5.1602 9.0657 127.7239 54.7525 30.9167 174.4856 10 L 4.9810 9.2007 129.1957 53.2552 45.4568 174.9555 11 R 5.1233 8.6449 124.4719 54.4880 33.3255 174.1294 12 K 4.6564 9.2086 125.0872 54.7976 35.3312 175.0961 13 S 5.0709 8.8769 121.5831 57.2960 64.2735 173.3534 14 E 4.8403 9.7540 125.9773 54.6493 32.3176 174.4617 15 C 5.3856 8.8464 120.7505 55.5126 41.3465 172.8940 16 H 4.8654 9.2556 121.5848 53.7790 31.2617 173.2392 17 F 5.3176 8.5225 121.0480 55.7256 41.7670 174.5912 18 F 4.7569 9.6546 124.2836 56.6879 43.0752 174.8833 *19 N 4.2463 9.6913 116.8687 53.5064 35.9563 175.8025 20 G 4.0904 8.2698 115.4932 47.0685 0.0000 172.8450 21 T 4.4507 8.9469 114.9664 61.8880 68.6233 174.0257 22 E 3.9893 8.6138 119.2047 58.8896 30.1559 181.4983 23 R 4.7332 8.3566 120.0889 54.8640 31.8424 176.6721 24 V 4.8621 8.5150 124.5144 60.0671 33.9238 174.4222 25 R 4.6980 9.4427 128.8124 54.7772 32.3734 173.7277 26 Y 5.4562 9.3988 127.7514 55.9578 41.5935 174.1472 27 L 4.9969 8.6479 125.5781 52.8322 45.8519 174.7262 28 D 5.2032 8.9867 124.0117 52.5121 43.4799 174.8773 29 R 5.0285 8.8974 125.2243 54.5147 33.9123 174.0889 30 Y 4.7774 8.9264 121.3606 56.0520 40.8081 174.7814 31 F 5.5152 9.5332 122.2892 56.0769 43.1932 173.2996 32 H 5.4599 9.9704 123.1176 55.2991 32.4951 173.3726 33 N 4.1163 10.0289 124.5597 54.9813 37.9511 175.1748 34 Q 4.5133 9.2701 124.0850 56.3049 29.7330 174.1578 35 E 4.5558 8.9746 121.9551 54.2761 30.2822 174.6328 36 E 4.2648 9.0595 128.3895 55.9934 30.1776 175.7483 37 F 4.9785 8.3043 119.7973 55.6433 40.6145 174.6108 38 L 5.1068 6.8884 121.1450 53.7589 45.7082 174.5283 39 R 5.7565 8.9474 120.6093 56.1793 33.4115 173.4112 40 F 4.5259 8.9867 126.2786 57.2042 40.9939 173.2579 41 D 5.1549 7.7551 125.9627 52.2213 42.7202 177.1887 42 S 4.1696 9.0230 121.6004 61.2169 63.4381 175.5128 43 D 4.3849 8.1460 120.5522 56.8916 40.7899 177.8286 44 V 3.5790 7.4163 117.9878 63.9463 31.7506 176.9296 45 G 3.9715 9.1476 107.7365 44.8933 0.0000 172.5179 46 E 4.9709 6.9832 114.9630 54.2952 32.8218 174.3756 47 Y 4.5389 8.9008 117.2781 58.6149 38.8070 176.0780 48 R 4.7951 9.1641 121.9227 53.8859 34.0208 174.8418 49 A 4.4286 8.7647 125.6448 52.5612 18.3094 177.4798 50 V 4.0800 9.1553 123.6475 64.5430 32.4071 175.5013 51 T 4.6275 7.7246 111.2582 59.8434 71.7046 174.7536 52 E 3.9978 8.7852 120.3069 61.1985 29.2576 177.4421 53 L 4.1962 7.9853 117.7673 57.8410 41.8642 179.3667 54 G 3.8367 8.3533 105.7305 47.4097 0.0000 175.5865 55 R 3.8891 7.6402 120.2141 59.2685 30.1156 177.1528 56 P 4.2243 0.0000 0.0000 65.5870 31.1809 178.6538 57 V 2.9431 7.3878 117.5157 66.1901 30.8841 176.7769 58 A 3.8599 8.3791 120.9594 56.3468 17.7953 179.6665 59 E 3.9839 8.2709 119.1898 61.9457 29.8747 182.1312 *60 S 4.4789 8.5006 119.5770 63.0262 62.3845 178.6725 61 W 5.0544 8.2073 121.7483 58.7585 29.2784 178.1689 62 N 4.8066 9.5275 113.7015 54.7126 38.0357 175.4290 63 S 4.6559 7.9982 112.4055 57.6030 65.2012 174.7195 64 Q 4.3296 7.4448 125.6737 55.2022 27.0899 176.1698 65 K 4.3543 7.9606 121.8009 58.6470 32.7843 179.0050 66 D 4.4683 8.1873 124.5666 58.8832 39.7864 184.5188 67 L 4.1784 8.2463 123.9787 59.3461 40.7946 181.7644 68 L 4.2668 8.0657 121.8798 58.3115 41.4496 179.5820 69 E 3.7148 7.6153 117.3829 60.9704 29.8372 180.5509 70 Q 4.3893 7.4507 117.7347 58.4940 29.7889 177.9341 71 K 3.5962 7.7788 119.3297 59.2326 31.5916 179.5227 72 R 4.4227 8.5846 118.4160 58.5427 30.2227 178.2988 73 G 3.8770 7.7055 103.7369 45.4441 0.0000 175.8736 74 R 3.9438 7.5197 120.7524 59.1615 29.8948 178.6704 75 V 3.5987 7.6997 117.5460 65.6279 31.0634 176.7117 76 D 4.6594 8.3571 117.2853 55.8566 42.0946 177.7650 77 N 4.7688 7.9702 113.1486 54.4085 37.9199 173.9610 78 Y 4.6961 7.8729 121.5378 58.8808 41.5843 176.2678 79 C 4.2419 8.9590 117.2397 60.2305 36.4552 176.4636 80 R 3.9684 8.6595 119.8741 59.7225 29.6687 178.5730 81 H 4.1126 8.2336 117.5923 59.3395 29.9895 176.6656 82 N 4.2452 8.8236 118.5326 56.6375 38.4373 176.6423 83 Y 3.7275 8.3603 121.0824 60.6775 38.5243 178.6819 84 G 3.6201 7.8330 105.4513 47.6530 0.0000 175.6220 85 V 3.8137 7.7183 119.9803 65.1654 31.9142 177.5377 86 G 3.1625 7.9491 103.5677 44.4275 0.0000 174.8710 87 E 3.3335 7.6120 122.5240 59.2382 29.2435 179.0838 88 S 4.0001 7.6180 111.8989 60.9096 63.3374 174.7022 89 F 4.5435 7.4950 112.9848 56.3540 37.7984 175.2230 90 T 4.2757 6.3630 109.1912 61.5822 71.4904 175.9605 91 V 3.4889 7.4213 123.9000 64.8409 31.9442 177.2259 92 Q 4.4605 7.7951 115.1475 55.1477 29.6473 175.8095 93 R 3.8846 7.3701 118.0914 57.2406 30.3457 175.6653 94 R 5.0896 8.5459 122.8206 54.8376 34.0071 174.4568 95 V 4.5944 9.3536 124.3329 61.0702 34.4771 174.6418 96 H 5.1517 9.0374 124.7478 55.0004 29.4963 173.3638 97 P 4.8238 0.0000 0.0000 62.4943 32.3014 175.5503 98 Q 4.3639 9.7095 126.6532 55.4064 30.2945 174.3138 99 V 4.9132 8.4196 126.4346 61.5552 33.7503 174.9642 100 T 4.7475 9.1537 124.2088 62.2499 72.8330 172.7203 101 V 5.4668 8.7955 126.5454 60.9166 33.4987 174.2769 102 Y 4.9530 7.5403 123.2474 55.0645 40.0352 171.8311 103 P 4.3065 0.0000 0.0000 62.6242 32.0936 176.9916 104 A 4.3361 9.8605 125.1465 54.4515 18.8248 177.5715 105 K 4.6861 7.4861 109.7788 55.0906 36.3103 177.1471 106 T 4.4123 8.1243 111.8013 60.5061 67.3672 173.4510 107 Q 4.3267 7.7081 126.2204 54.7586 30.3357 174.3403 108 P 4.4284 0.0000 0.0000 62.3167 32.2781 175.9296 109 L 4.1683 8.1409 118.9487 56.2335 42.0117 178.5948 110 Q 3.9140 9.4564 121.5026 56.5666 29.5242 173.0118 111 H 4.7886 7.5603 115.9908 54.6989 31.2831 174.0492 112 H 4.4942 8.0428 120.2758 56.1812 29.1150 173.7059 113 N 5.0035 9.5270 119.3598 52.3734 43.4597 172.4267 114 L 4.8858 8.0873 119.8322 52.5965 45.0127 175.5102 115 L 3.9587 8.2148 127.3119 53.6164 43.4192 175.1923 116 V 4.2304 8.4245 127.5762 61.6124 33.4692 173.7852 117 C 5.0696 9.4275 129.0194 54.8970 43.8725 171.8463 118 S 4.8437 9.0879 122.3743 57.7078 63.3986 172.7788 119 V 4.9663 9.1520 128.7672 61.2743 33.5717 174.4166 120 S 5.1458 9.4189 122.5057 57.3128 66.8616 175.0472 121 G 4.0956 9.1869 107.8822 45.2362 0.0000 173.0442 122 F 5.3744 7.6639 114.8432 55.6440 40.9661 174.1842 123 Y 5.2519 9.0325 120.5052 55.8249 42.6362 172.8718 124 P 2.9700 0.0000 0.0000 61.3111 32.7194 176.0611 125 G 2.0549 7.7948 107.6617 48.1766 0.0000 173.3843 126 S 3.8074 7.2288 114.1350 57.5187 62.4385 173.3476 127 I 4.5919 7.8739 128.3783 60.6531 41.0298 173.7665 128 E 4.7484 9.0679 123.8819 54.6426 33.6875 175.8482 129 V 4.7301 8.3801 123.3405 60.3488 34.3691 174.7142 130 R 4.7883 9.3442 125.9940 54.1908 34.5271 174.2469 131 W 5.3572 8.5128 120.1605 55.1375 32.1645 174.8081 132 F 5.2120 10.2229 121.8406 56.4214 42.2600 175.6099 133 R 4.1555 9.5653 125.5394 58.6878 31.0219 177.1537 134 N 5.4739 7.1709 111.9019 50.3195 38.9921 174.5094 135 G 4.2619 8.6756 113.7215 45.7193 0.0000 172.5009 *136 Q 4.4323 7.7401 117.4196 53.0520 29.4613 177.9501 137 E 3.4081 8.7794 123.4218 55.4117 30.0235 175.9913 138 E 4.3354 8.6164 129.5246 55.6986 29.5725 176.9436 *139 K 4.1263 8.5763 126.3496 56.2406 32.4087 173.9467 140 A 4.4683 7.8038 120.1273 52.3934 19.9529 176.9125 141 G 3.7249 8.7135 108.4767 46.0275 0.0000 172.4844 142 V 4.8174 7.6549 119.3300 61.0776 32.9255 175.1746 143 V 4.2614 8.9196 129.1688 61.4488 33.1021 173.9308 144 S 5.3810 8.4860 123.1050 56.6103 63.7106 174.2963 145 T 3.9053 8.8470 117.1140 62.8723 69.2283 175.5715 146 G 3.8677 8.2172 111.1655 44.1093 0.0000 172.1070 147 L 4.3620 8.3193 120.7783 54.8966 42.9000 176.1023 148 I 4.5023 9.5096 128.3716 59.6166 39.4459 174.2841 149 Q 3.9539 8.5160 128.4748 54.7149 29.8641 175.5417 150 N 4.3009 8.8556 124.2707 53.3597 38.9176 177.0229 151 G 3.8022 7.4241 106.7473 45.5409 0.0000 173.6650 152 D 4.9587 7.0033 118.3532 52.7685 39.7551 175.7241 153 W 3.4654 8.2718 116.3231 58.7375 26.1639 173.8527 154 T 5.2044 7.4894 105.4659 60.3348 72.4390 172.2502 155 F 5.1635 8.8117 120.2734 55.9305 43.5782 173.8165 156 Q 5.1465 9.0916 117.4132 55.6814 32.4622 173.3741 157 T 5.0366 9.4185 113.6133 61.0042 71.7430 172.3443 158 L 5.2170 9.0438 125.6362 53.0630 45.6002 175.7147 159 V 4.7065 9.4112 125.4854 61.5682 33.8012 174.0835 160 M 5.0849 9.2349 128.7335 53.9434 34.4267 175.0164 161 L 4.7833 8.2129 124.3240 52.9094 44.9483 175.1758 162 E 4.5395 9.4589 127.7156 56.4405 29.8345 176.3134 163 T 4.5144 8.9039 115.3541 59.7232 72.4687 173.4754 164 V 4.6945 8.2130 122.8342 60.2811 32.6068 172.4458 165 P 4.7830 0.0000 0.0000 61.8676 32.7105 175.7973 166 R 4.5999 9.7025 126.5282 55.1604 31.4933 176.9632 *167 S 4.2202 8.6570 117.8160 59.9169 62.5455 173.6457 168 G 3.9231 8.6039 111.2987 45.7690 0.0000 172.5853 169 E 4.3772 7.9228 122.6226 55.2254 31.5843 176.0851 *170 V 4.5453 7.8158 124.6995 60.0527 34.4090 172.3100 171 Y 5.2886 9.1759 124.9618 56.1482 40.2976 175.2762 172 T 5.2759 10.4543 120.5847 62.0481 72.3044 172.0098 173 C 4.1715 9.3283 127.5124 55.0137 40.5108 171.8733 174 Q 5.1678 9.1491 128.0056 54.2187 31.9250 174.1735 175 V 4.8626 9.1059 125.4398 61.1252 34.9189 173.9075 176 E 4.9770 9.1078 126.6324 54.9975 33.3450 174.3249 177 H 4.9334 8.3321 121.1601 54.2997 33.2680 172.3504 178 P 4.3668 0.0000 0.0000 64.1858 31.5124 177.0591 179 S 4.6878 7.8453 112.5953 57.8835 63.7434 173.6123 180 V 4.5682 7.5460 120.6536 61.5889 34.4077 174.9127 181 T 4.2945 8.5493 116.4833 63.6944 70.3497 175.7695 182 S 4.5093 7.6876 121.7523 57.7842 63.3833 172.6617 183 A 4.7784 8.2120 120.7471 50.0164 21.7116 176.3850 184 L 4.3369 8.5141 122.7541 54.8134 43.1688 176.3232 185 T 5.1076 8.3407 112.0031 59.8535 71.7124 173.3424 186 V 4.5581 9.0838 124.8395 59.8984 34.5054 174.1833 187 E 5.3475 8.9464 122.9164 54.6125 31.7974 175.0026 188 W 5.0573 9.5857 133.0930 55.7058 34.2125 173.9508 189 R 4.6643 7.7115 124.7162 53.9928 31.8015 175.9708 *190 A 3.4757 7.6159 125.6712 52.2086 18.9236 176.0646 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 T 8.17 4.32 4.22 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 0.00 0.00 0.00 1.20 0.00 0.00 4 R 8.26 3.63 0.00 1.88 1.92 0.00 3.25 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 5 P 0.00 4.33 0.00 1.74 1.97 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 6 R 7.59 4.37 0.00 1.56 1.66 0.00 3.15 0.00 0.00 3.14 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.59 0.00 7 F 8.38 4.93 0.00 3.08 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 8 L 8.98 4.76 0.00 1.74 1.50 0.94 0.56 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 9 E 9.07 5.16 0.00 2.16 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 0.00 2.41 2.61 0.00 10 L 9.20 4.98 0.00 1.82 1.61 0.88 0.03 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 11 R 8.64 5.12 0.00 1.69 1.67 0.00 2.88 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.67 0.00 12 K 9.21 4.66 0.00 1.92 1.75 0.00 1.73 0.00 0.00 1.79 0.00 0.00 2.73 0.00 0.00 2.48 0.00 0.00 0.00 0.00 1.35 1.40 7.81 13 S 8.88 5.07 0.00 4.06 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 14 E 9.75 4.84 0.00 1.86 1.85 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 2.29 2.31 0.00 15 C 8.85 5.39 0.00 2.88 2.38 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 16 H 9.26 4.87 0.00 3.09 2.96 0.00 5.55 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 F 8.52 5.32 0.00 2.92 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 18 F 9.65 4.76 0.00 2.90 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 *19 N 9.69 4.25 0.00 2.75 2.76 0.00 0.00 6.71 7.44 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 20 G 8.27 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.95 4.45 3.81 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 1.12 0.00 0.00 22 E 8.61 3.99 0.00 2.01 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 2.26 2.13 0.00 23 R 8.36 4.73 0.00 1.50 1.82 0.00 3.18 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.41 0.00 24 V 8.51 4.86 2.09 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 0.62 0.00 0.00 1.10 0.00 0.00 25 R 9.44 4.70 0.00 1.98 1.94 0.00 3.34 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 26 Y 9.40 5.46 0.00 3.10 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.65 5.00 0.00 1.57 1.42 0.88 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 28 D 8.99 5.20 0.00 2.57 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 29 R 8.90 5.03 0.00 1.85 1.43 0.00 3.41 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.60 0.00 30 Y 8.93 4.78 0.00 1.90 2.29 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 31 F 9.53 5.52 0.00 3.05 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 32 H 9.97 5.46 0.00 3.21 3.22 0.00 5.74 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 N 10.03 4.12 0.00 2.75 2.07 0.00 0.00 6.91 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 9.27 4.51 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.79 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 35 E 8.97 4.56 0.00 2.25 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 2.33 2.31 0.00 36 E 9.06 4.26 0.00 1.83 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 1.91 1.47 0.00 37 F 8.30 4.98 0.00 3.12 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 38 L 6.89 5.11 0.00 0.67 1.10 -0.17 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.95 5.76 0.00 1.92 2.00 0.00 3.02 0.00 0.00 3.12 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.35 0.00 40 F 8.99 4.53 0.00 1.68 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 41 D 7.76 5.15 0.00 2.57 2.23 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 42 S 9.02 4.17 0.00 4.15 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.24 0.00 *60 S 8.50 4.48 0.00 3.68 3.94 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 61 W 8.21 5.05 0.00 3.40 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 62 N 9.53 4.81 0.00 2.90 2.99 0.00 0.00 6.83 7.45 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 63 S 8.00 4.66 0.00 3.99 4.13 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 64 Q 7.44 4.33 0.00 2.52 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.88 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 65 K 7.96 4.35 0.00 1.87 1.87 0.00 1.76 0.00 0.00 1.91 0.00 0.00 3.00 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.71 1.55 7.81 66 D 8.19 4.47 0.00 2.68 2.68 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 0.00 0.00 0.00 67 L 8.25 4.18 0.00 1.61 1.70 0.92 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 S 9.09 4.84 0.00 4.22 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 V 9.15 4.97 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 0.72 0.00 0.00 0.85 0.00 0.00 120 S 9.42 5.15 0.00 3.94 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 0.00 121 G 9.19 4.10 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 0.00 0.00 0.00 122 F 7.66 5.37 0.00 3.04 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 0.00 123 Y 9.03 5.25 0.00 3.50 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 0.00 124 P 0.00 2.97 0.00 1.76 1.81 0.00 3.85 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.90 0.00 125 G 7.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 S 7.23 3.81 0.00 3.68 3.70 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 0.00 127 I 7.87 4.59 1.55 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.61 0.77 0.00 0.00 128 E 9.07 4.75 0.00 1.63 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 0.00 2.12 2.09 0.00 129 V 8.38 4.73 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 0.75 0.00 0.00 0.79 0.00 0.00 130 R 9.34 4.79 0.00 1.86 1.66 0.00 3.23 0.00 0.00 3.36 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 131 W 8.51 5.36 0.00 3.24 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 F 10.22 5.21 0.00 3.00 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 0.00 133 R 9.57 4.16 0.00 1.99 1.91 0.00 3.20 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.43 0.00 134 N 7.17 5.47 0.00 2.73 2.54 0.00 0.00 7.21 7.51 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 0.00 135 G 8.68 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 0.00 0.00 0.00 0.00 *136 Q 7.74 4.43 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 7.04 0.00 0.00 0.00 0.00 0.00 2.31 1.90 0.00 137 E 8.78 3.41 0.00 1.50 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 0.00 2.05 1.90 0.00 138 E 8.62 4.34 0.00 2.27 1.90 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 2.29 2.11 0.00 *139 K 8.58 4.13 0.00 1.77 1.72 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.35 1.00 7.81 140 A 7.80 4.47 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 0.00 141 G 8.71 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 0.00 142 V 7.65 4.82 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 0.95 0.00 0.00 1.04 0.00 0.00 143 V 8.92 4.26 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 0.85 0.00 0.00 0.88 0.00 0.00 144 S 8.49 5.38 0.00 3.93 3.73 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 0.00 145 T 8.85 3.91 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 0.00 146 G 8.22 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 0.00 147 L 8.32 4.36 0.00 1.69 1.68 1.14 0.70 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 0.00 148 I 9.51 4.50 2.00 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 1.14 0.51 0.89 0.00 0.00 149 Q 8.52 3.95 0.00 2.05 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.98 0.00 0.00 0.00 0.00 0.00 1.99 1.45 0.00 150 N 8.86 4.30 0.00 2.90 2.74 0.00 0.00 6.55 8.23 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 0.00 151 G 7.42 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 0.00 152 D 7.00 4.96 0.00 2.79 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 0.00 153 W 8.27 3.47 0.00 3.35 3.15 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 0.00 0.00 0.00 154 T 7.49 5.20 4.13 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 1.29 0.00 0.00 155 F 8.81 5.16 0.00 1.51 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 0.00 0.00 0.00 0.00 156 Q 9.09 5.15 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.67 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 157 T 9.42 5.04 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 1.32 0.00 0.00 158 L 9.04 5.22 0.00 1.68 1.55 1.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 159 V 9.41 4.71 2.09 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 1.01 0.00 0.00 0.94 0.00 0.00 160 M 9.23 5.08 0.00 1.83 1.96 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.39 0.00 161 L 8.21 4.78 0.00 0.27 0.13 0.76 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 162 E 9.46 4.54 0.00 1.65 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 2.23 2.30 0.00 163 T 8.90 4.51 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 0.39 0.00 0.00 164 V 8.21 4.69 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 0.91 0.00 0.00 0.92 0.00 0.00 165 P 0.00 4.78 0.00 2.35 2.41 0.00 4.12 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 2.26 1.98 0.00 166 R 9.70 4.60 0.00 2.07 1.85 0.00 3.26 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.43 0.00 *167 S 8.66 4.22 0.00 3.62 3.68 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 0.00 0.00 0.00 168 G 8.60 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 E 7.92 4.38 0.00 2.32 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 1.72 2.09 0.00 *170 V 7.82 4.55 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.93 0.00 0.00 171 Y 9.18 5.29 0.00 3.39 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 0.00 172 T 10.45 5.28 4.49 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 173 C 9.33 4.17 0.00 1.42 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.15 5.17 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.54 0.00 0.00 0.00 0.00 0.00 2.25 2.20 0.00 175 V 9.11 4.86 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 0.72 0.00 0.00 0.76 0.00 0.00 176 E 9.11 4.98 0.00 1.84 1.72 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 2.16 2.16 0.00 177 H 8.33 4.93 0.00 2.93 2.97 0.00 5.67 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 P 0.00 4.37 0.00 1.96 2.01 0.00 2.96 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.93 0.00 179 S 7.85 4.69 0.00 4.19 4.30 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 0.00 180 V 7.55 4.57 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 0.81 0.00 0.00 0.75 0.00 0.00 181 T 8.55 4.29 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 1.20 0.00 0.00 182 S 7.69 4.51 0.00 3.97 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 0.00 183 A 8.21 4.78 1.16 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 0.00 0.00 0.00 0.00 0.00 184 L 8.51 4.34 0.00 1.56 1.56 0.90 0.35 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 0.00 185 T 8.34 5.11 4.19 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 1.11 0.00 0.00 186 V 9.08 4.56 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 0.84 0.00 0.00 1.03 0.00 0.00 187 E 8.95 5.35 0.00 1.94 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 2.30 2.32 0.00 188 W 9.59 5.06 0.00 3.57 3.32 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 0.00 0.00 0.00 189 R 7.71 4.66 0.00 1.42 1.55 0.00 3.35 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.46 0.00 *190 A 7.62 3.48 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 * Residues marked with a * may have inaccurate shift predictions.