NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3205 8.3149 122.1389 54.4440 34.2143 176.4169 3 Q 4.0317 7.9687 118.3466 54.6145 29.2648 173.5902 4 S 4.6961 9.2469 118.0458 57.2495 65.4619 173.4717 5 H 4.8812 8.4703 122.0040 55.7247 28.7965 176.9589 6 F 4.2023 8.2261 124.7585 61.7887 39.2112 177.2552 7 F 3.7211 8.2809 116.4436 60.0388 38.5771 177.3439 8 A 4.0230 8.1308 119.4510 55.7194 18.4916 178.9686 9 H 4.2304 8.7180 114.9716 58.7898 28.7761 177.8501 10 L 3.8175 7.7595 120.9415 57.8744 41.1958 179.3096 11 S 4.1368 7.9880 111.9216 61.0265 62.4564 175.5860 12 R 4.3154 7.8885 118.9374 56.7896 30.1829 178.1259 13 L 4.0170 8.0211 120.6196 57.4196 41.3855 179.0823 14 K 4.3435 7.9397 117.0451 59.1216 32.7499 178.3539 15 L 4.2788 7.8409 119.3159 55.2363 42.1593 176.3645 16 I 4.3446 7.2211 121.1432 60.0886 38.6530 174.5552 17 N 5.3409 8.7596 124.4877 52.1047 40.1395 175.0517 18 R 4.3048 9.0763 122.4259 53.9146 32.4200 175.9339 19 W 3.6794 7.8788 117.3933 57.5503 26.4393 174.7361 20 P 4.3791 0.0000 0.0000 65.1877 31.5097 176.7369 21 L 4.3654 7.0976 118.9119 54.8761 41.9964 176.4177 *23 R 4.1141 7.8905 117.6415 56.2352 30.9562 173.8527 24 N 5.3081 8.5293 121.8262 51.3052 41.1593 175.0358 25 V 3.7258 9.7043 123.6142 65.1948 31.8662 176.5736 26 R 4.6084 7.7723 118.3762 54.3445 32.7672 174.1333 27 T 4.3710 8.5227 115.4880 61.2987 70.2914 173.2835 28 E 4.9754 8.9297 126.0351 54.5952 32.0568 174.6684 29 N 5.2464 9.2004 124.5357 51.4524 39.8569 176.3606 30 V 3.6343 8.5458 118.7193 65.8688 31.4280 178.1740 31 S 4.0401 8.0905 112.6325 61.3835 62.2676 175.5522 32 E 3.9538 8.8045 121.6145 59.7693 29.2761 178.7789 33 H 4.1797 8.4061 117.9851 59.7040 29.8603 177.3415 34 S 4.1258 8.4196 117.0836 61.5049 62.3959 176.5536 35 L 3.9177 7.6634 122.1074 58.1854 41.9176 178.5421 36 Q 4.1149 7.6339 118.5591 58.8715 29.2510 177.8131 37 V 3.7087 8.3196 119.5113 65.8343 31.4873 178.5643 38 A 4.0683 7.9229 117.3974 53.0200 18.1416 179.1269 *40 V 3.8047 7.7602 121.3902 64.3025 33.4741 177.4773 41 A 3.9141 8.6186 121.6722 55.4929 18.0889 178.8856 42 H 3.9958 8.3811 116.5131 59.5760 29.8053 177.2830 43 A 3.9844 7.9758 121.8855 55.1653 18.1926 179.4708 44 L 4.0101 8.3784 117.7308 57.6776 41.6442 179.6657 45 A 3.9500 8.3368 120.9762 55.1294 18.3131 179.6058 46 A 3.9141 8.1178 119.5263 55.2299 18.4138 179.8383 47 I 3.4573 7.9973 118.6139 64.2700 37.0626 178.5900 48 K 4.2159 7.9311 120.2623 59.6201 31.8790 178.5500 49 N 4.5153 7.9301 115.3264 56.5270 38.5951 177.1417 50 R 3.9869 8.1260 118.8976 58.5959 30.3077 177.6497 51 K 4.2586 8.1324 115.7019 55.6924 33.9005 176.6575 52 F 5.0122 7.5363 116.8837 57.2374 39.8734 175.3723 53 G 3.9060 8.6702 106.3649 46.2515 0.0000 175.0258 54 G 3.8162 8.0558 108.0891 45.3863 0.0000 173.6220 55 N 5.0306 8.2804 116.9493 52.6504 39.2482 174.3990 56 V 4.2024 8.1925 110.9659 59.9633 34.1134 177.2081 57 N 4.5911 8.3377 120.6923 52.6078 38.8651 175.5710 58 A 4.0736 8.3529 130.9762 54.7420 18.6793 178.8402 59 E 3.9432 8.2061 117.1582 59.4101 29.6703 178.9309 60 R 3.8409 8.6133 119.1818 59.6835 30.0811 178.5668 61 I 3.5831 7.7906 119.1252 64.1481 36.8339 178.1866 62 A 3.9724 7.7700 120.5741 55.1034 18.3236 178.9358 63 L 4.1326 7.5450 117.1770 58.4098 42.2021 178.8822 64 L 4.1771 7.6313 117.0961 57.5952 41.7564 181.0257 65 A 4.0777 7.9067 120.8421 52.3213 18.9629 178.3909 *67 Y 4.5550 7.8844 117.8155 59.1153 40.0223 176.8270 68 H 4.3835 8.1620 120.0538 58.8341 30.2268 175.4721 69 D 4.8483 8.0368 116.1850 53.9229 41.6116 177.5817 70 A 4.0599 8.0682 124.5131 55.2784 18.2781 180.1351 71 S 4.3563 8.0231 110.8495 60.2504 63.2609 175.7217 72 E 4.6932 8.1991 124.0205 58.2304 28.9601 179.0107 73 V 3.6526 7.5831 111.7314 63.6124 31.5975 176.9418 74 L 4.3815 7.7315 117.9079 55.7365 42.4972 177.4914 75 T 4.2343 7.8916 107.4539 60.4759 70.3598 175.6494 76 G 4.0364 7.9984 111.1015 44.5914 0.0000 171.3514 77 D 4.5592 8.4406 118.0331 52.4978 41.8759 175.5818 78 L 4.3063 8.1834 128.9249 52.3469 42.3008 173.9642 79 P 4.1190 0.0000 0.0000 62.4040 31.8481 176.5453 80 T 3.8875 8.2737 110.8182 61.7788 69.5827 171.7560 81 P 4.4291 0.0000 0.0000 62.1142 31.4813 178.0660 *91 Q 4.3502 8.7118 122.2961 55.3333 30.1652 173.8474 92 E 4.1858 8.0457 117.6938 59.4051 29.6067 177.4685 93 Y 4.0589 8.1989 121.3041 61.1924 38.7538 178.3424 94 K 3.9129 7.8795 124.5826 59.7664 31.8369 183.7443 95 A 4.1201 7.8922 121.8494 55.0377 18.3265 179.6956 96 I 3.5765 7.3895 118.4446 64.2603 37.0702 178.2937 97 E 3.7324 7.7100 120.3484 58.8855 29.2832 178.6420 98 K 3.8574 8.0691 119.9632 59.6065 32.1748 178.8821 99 I 3.7131 7.6756 119.8994 64.1012 37.0181 178.2882 100 A 3.9535 7.8974 121.6942 55.0502 17.7281 179.3757 101 Q 3.9578 8.0954 116.6342 59.4631 28.8553 179.2781 102 Q 3.9516 7.8467 120.0123 59.0909 28.8817 178.0838 103 K 3.8037 7.8880 118.5427 59.6352 32.1900 178.6504 104 L 4.1384 7.7288 118.9836 58.1337 42.1875 178.5105 105 V 3.6810 8.0244 117.1999 66.0125 31.8144 179.3707 106 D 4.4580 8.3852 119.7971 52.6946 40.6332 176.7861 *108 V 3.4130 7.2978 117.2380 61.5545 32.7924 172.9397 109 P 4.2683 0.0000 0.0000 62.5387 32.2341 176.6228 110 E 3.8337 9.0820 123.2199 59.8489 29.2055 179.1342 111 E 4.0808 8.2212 116.6986 58.0866 29.9857 177.3537 112 L 4.7005 8.0646 117.4277 54.5984 42.6342 178.0806 113 R 3.9033 7.9472 120.3593 59.1911 29.8168 177.8943 114 D 4.6737 8.0396 117.5654 55.8935 39.4070 178.2683 115 I 3.7541 7.5927 121.2658 64.2606 37.3879 177.6973 116 F 4.0633 8.0177 117.4346 59.3663 39.0035 177.7357 117 A 3.9942 8.4780 121.1022 54.9853 18.0231 178.0708 118 P 4.3499 0.0000 0.0000 65.2832 31.4602 178.5520 119 L 4.1731 7.7267 117.1280 57.3607 41.6265 178.6416 120 I 4.1435 7.3228 118.9474 62.3574 37.8666 175.8242 121 D 5.0494 7.3606 117.2389 52.1848 42.6245 176.8293 122 E 3.4578 8.1853 125.5607 55.5166 27.8812 174.7895 123 H 4.6846 8.0564 118.7439 57.6718 32.7934 173.8893 124 A 3.9963 8.3887 120.2241 55.3808 18.0764 177.3431 125 Y 4.1137 8.5715 112.6484 58.5987 38.2277 177.5690 126 S 4.3756 8.7469 120.0489 58.1307 65.0796 174.8487 127 D 4.4627 8.8758 125.6664 58.5685 40.6203 179.7674 128 E 4.0020 8.1911 118.0135 61.1385 29.5780 180.7836 129 E 4.1946 8.2438 121.3072 59.9334 29.6281 180.2687 130 K 4.3392 8.4322 123.9694 59.7511 31.6721 180.9435 131 S 4.2918 8.3880 114.2503 61.4535 62.3798 176.2818 132 L 3.9387 8.0426 121.6683 57.8066 41.2635 179.7934 133 V 3.5886 7.5970 118.3883 65.8284 31.4936 178.3257 134 K 4.0811 8.0584 118.1958 59.2954 31.7432 179.3072 135 Q 3.9418 8.3832 118.4700 58.9459 28.6132 178.7853 136 A 3.8177 7.9089 121.5791 55.1376 18.3889 179.0303 137 D 4.2788 8.5116 116.7371 57.5552 41.3070 178.4452 138 A 4.0528 8.1256 121.1204 55.1412 18.4028 179.5234 139 L 3.9818 8.1821 117.8164 58.3433 41.6893 179.6818 140 C 4.3301 8.4907 116.5580 62.4319 28.1237 175.9840 141 A 4.4059 8.4262 122.7061 55.4203 18.0716 178.9887 142 Y 4.0962 8.2910 117.9629 60.9981 38.9613 178.0479 143 L 3.6384 8.5096 120.1887 57.7705 41.6513 179.6145 144 K 3.7490 8.0426 119.2315 59.5219 32.1538 178.4647 145 C 3.5971 7.6059 116.7330 62.8212 28.0535 176.1544 146 L 3.7994 7.5291 120.1830 57.7623 41.2794 179.5063 147 E 3.9082 8.0233 118.3496 59.4765 29.4289 179.3510 148 E 3.7492 7.8296 118.5614 59.2344 29.3817 179.3614 149 L 4.0877 7.8396 118.8186 57.7585 41.4460 179.3390 150 A 4.0794 7.7926 119.2709 54.2229 18.5297 178.5953 151 A 4.2669 7.5932 116.9674 52.6392 18.6154 178.0611 152 G 3.7550 7.9469 106.0728 45.1027 0.0000 173.2787 153 N 4.7555 8.1341 119.0879 51.7852 39.1546 175.0681 154 N 4.5521 8.5497 123.7209 54.8827 38.7114 176.7764 155 E 4.0516 8.2062 119.4009 58.4525 29.7950 177.9598 156 F 4.2895 7.6326 116.1009 57.1156 39.2054 177.5175 157 L 3.9863 7.7427 120.2690 57.9603 41.5461 179.0358 158 L 3.9789 8.0216 118.0295 58.1057 41.5040 179.5306 159 A 4.1209 7.9305 119.9429 54.7828 18.4067 179.3022 160 K 3.9740 8.1451 118.2330 60.1886 32.4503 179.0328 161 T 4.1183 8.3505 116.5279 66.7898 68.4411 176.7544 162 R 4.1494 8.1303 117.6544 58.9443 29.6434 178.7764 163 L 4.1762 8.5581 120.2765 57.5152 41.6172 179.0866 164 E 3.8391 8.5554 118.6811 59.0987 29.2766 179.1954 165 A 4.0193 7.7142 120.0959 55.3740 18.5054 179.6881 166 T 3.8168 7.7810 113.8152 66.7380 68.2382 176.8858 167 L 3.9020 7.7979 119.9883 57.6443 42.0409 178.6318 168 E 4.0567 8.0722 118.3907 59.7697 29.2710 179.4419 169 A 4.0568 7.9206 118.8254 54.7629 18.4045 178.8668 170 R 4.3650 7.3562 113.6899 55.0254 30.8140 176.7040 171 R 3.9465 7.2165 119.9488 56.9305 30.4616 175.6655 172 S 4.6220 8.0370 117.0632 56.7939 66.4951 174.2299 173 Q 3.7903 8.5382 119.4072 59.0347 28.4664 181.1147 174 E 4.4980 7.6579 114.9115 56.5474 28.8987 178.6576 *176 D 4.5338 8.2387 119.2588 55.7628 42.9213 176.2077 177 Y 4.1680 8.2231 119.7747 61.0819 38.8967 178.5860 178 F 4.5901 8.8526 118.3234 59.7908 39.6154 176.3316 *180 E 4.2975 8.1276 119.5889 55.8510 31.2426 177.4627 181 I 3.7669 7.7215 118.0262 62.8962 37.8187 177.3745 182 F 4.7400 7.9737 116.2314 58.1880 39.6678 177.6975 183 V 4.2859 7.7228 117.2853 64.4896 31.4983 175.9580 184 P 4.4160 0.0000 0.0000 65.2337 31.4518 177.7631 185 S 4.2500 8.1289 113.1872 61.0613 63.3937 175.0336 186 F 4.3583 8.0207 120.6685 58.2572 37.2138 174.8751 187 H 4.4086 8.0844 124.0300 56.8099 30.6734 173.6996 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 2 K 8.31 4.32 0.00 1.79 1.79 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 3 Q 7.97 4.03 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.71 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 4 S 9.25 4.70 0.00 3.79 3.76 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 5 H 8.47 4.88 0.00 3.32 3.38 0.00 5.69 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 6 F 8.23 4.20 0.00 2.94 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 7 F 8.28 3.72 0.00 3.20 3.08 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 8 A 8.13 4.02 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 H 8.72 4.23 0.00 3.21 3.32 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.76 3.82 0.00 1.54 1.56 0.45 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 11 S 7.99 4.14 0.00 4.00 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 12 R 7.89 4.32 0.00 2.05 1.93 0.00 3.08 0.00 0.00 3.15 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.86 0.00 13 L 8.02 4.02 0.00 1.76 1.70 0.84 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 14 K 7.94 4.34 0.00 1.91 1.95 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.57 1.53 7.81 15 L 7.84 4.28 0.00 1.74 1.77 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 16 I 7.22 4.34 1.88 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 1.39 0.75 0.92 0.00 0.00 17 N 8.76 5.34 0.00 2.63 2.79 0.00 0.00 7.08 7.66 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 18 R 9.08 4.30 0.00 1.90 1.64 0.00 3.21 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 19 W 7.88 3.68 0.00 3.79 3.33 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 20 P 0.00 4.38 0.00 2.18 2.20 0.00 3.72 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 21 L 7.10 4.37 0.00 1.63 1.71 0.89 0.83 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 *23 R 7.89 4.11 0.00 1.82 2.02 0.00 3.21 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 24 N 8.53 5.31 0.00 2.80 2.82 0.00 0.00 7.03 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 25 V 9.70 3.73 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 0.68 0.00 0.00 0.90 0.00 0.00 26 R 7.77 4.61 0.00 1.67 1.69 0.00 3.30 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 27 T 8.52 4.37 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 1.26 0.00 0.00 28 E 8.93 4.98 0.00 2.14 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 2.42 2.39 0.00 29 N 9.20 5.25 0.00 3.08 2.96 0.00 0.00 6.25 7.47 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 30 V 8.55 3.63 2.26 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 1.09 0.00 0.00 1.01 0.00 0.00 31 S 8.09 4.04 0.00 3.92 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 32 E 8.80 3.95 0.00 2.23 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 2.36 2.49 0.00 33 H 8.41 4.18 0.00 3.37 3.54 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.42 4.13 0.00 3.86 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 35 L 7.66 3.92 0.00 1.64 1.84 0.92 0.81 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 36 Q 7.63 4.11 0.00 2.09 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.71 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 37 V 8.32 3.71 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 0.94 0.00 0.00 0.70 0.00 0.00 38 A 7.92 4.07 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 *40 V 7.76 3.80 1.95 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 0.49 0.00 0.00 0.98 0.00 0.00 41 A 8.62 3.91 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 42 H 8.38 4.00 0.00 3.23 3.40 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 43 A 7.98 3.98 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 44 L 8.38 4.01 0.00 1.82 1.74 0.82 0.78 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 45 A 8.34 3.95 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 46 A 8.12 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 I 8.00 3.46 1.97 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.59 0.79 0.00 0.00 48 K 7.93 4.22 0.00 2.02 2.01 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.72 7.81 49 N 7.93 4.52 0.00 2.89 2.85 0.00 0.00 7.06 6.97 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 50 R 8.13 3.99 0.00 1.70 1.92 0.00 3.20 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 51 K 8.13 4.26 0.00 0.79 0.74 0.00 1.59 0.00 0.00 1.35 0.00 0.00 3.06 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.07 0.98 7.81 52 F 7.54 5.01 0.00 3.11 2.89 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 53 G 8.67 3.91 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 0.00 0.00 0.00 54 G 8.06 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 0.00 0.00 0.00 55 N 8.28 5.03 0.00 2.61 2.71 0.00 0.00 6.96 7.71 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 56 V 8.19 4.20 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.98 0.00 0.00 57 N 8.34 4.59 0.00 2.73 2.70 0.00 0.00 6.88 8.03 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 58 A 8.35 4.07 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 59 E 8.21 3.94 0.00 2.24 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 2.40 2.43 0.00 60 R 8.61 3.84 0.00 1.96 2.09 0.00 3.03 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 61 I 7.79 3.58 2.02 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 1.61 0.73 0.90 0.00 0.00 62 A 7.77 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 63 L 7.54 4.13 0.00 1.69 1.91 1.14 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 64 L 7.63 4.18 0.00 1.59 1.18 0.48 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 65 A 7.91 4.08 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 *67 Y 7.88 4.55 0.00 3.18 3.29 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 68 H 8.16 4.38 0.00 3.37 3.44 0.00 5.74 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 D 8.04 4.85 0.00 2.76 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 70 A 8.07 4.06 1.51 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 0.00 0.00 0.00 71 S 8.02 4.36 0.00 4.05 4.15 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 72 E 8.20 4.69 0.00 2.19 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 2.36 2.35 0.00 73 V 7.58 3.65 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 0.82 0.00 0.00 0.95 0.00 0.00 74 L 7.73 4.38 0.00 1.75 1.70 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 75 T 7.89 4.23 4.32 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 1.21 0.00 0.00 76 G 8.00 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 77 D 8.44 4.56 0.00 2.60 2.54 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 1.37 1.33 7.81 95 A 7.89 4.12 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 96 I 7.39 3.58 1.57 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 1.32 0.69 0.60 0.00 0.00 97 E 7.71 3.73 0.00 1.77 1.84 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 2.21 2.23 0.00 98 K 8.07 3.86 0.00 1.93 1.91 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.43 7.81 99 I 7.68 3.71 1.93 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 1.57 0.72 0.87 0.00 0.00 100 A 7.90 3.95 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 Q 8.10 3.96 0.00 2.33 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.75 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 102 Q 7.85 3.95 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.71 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.87 1.01 0.00 0.00 121 D 7.36 5.05 0.00 2.64 2.59 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 0.00 122 E 8.19 3.46 0.00 1.71 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 1.99 1.47 0.00 123 H 8.06 4.68 0.00 3.08 3.28 0.00 5.96 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 0.00 124 A 8.39 4.00 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 0.00 125 Y 8.57 4.11 0.00 2.79 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 0.00 126 S 8.75 4.38 0.00 4.10 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 0.00 127 D 8.88 4.46 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 0.00 128 E 8.19 4.00 0.00 1.97 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 2.32 1.97 0.00 129 E 8.24 4.19 0.00 2.24 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 130 K 8.43 4.34 0.00 1.75 1.82 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.32 7.81 131 S 8.39 4.29 0.00 3.89 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 0.00 132 L 8.04 3.94 0.00 1.71 1.68 0.91 0.73 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 0.00 133 V 7.60 3.59 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 0.90 0.00 0.00 0.90 0.00 0.00 134 K 8.06 4.08 0.00 2.03 1.86 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.60 7.81 135 Q 8.38 3.94 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.59 0.00 136 A 7.91 3.82 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 0.00 137 D 8.51 4.28 0.00 2.91 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 0.00 138 A 8.13 4.05 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.18 3.98 0.00 1.70 1.61 0.53 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 140 C 8.49 4.33 0.00 3.05 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 0.00 141 A 8.43 4.41 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 Y 8.29 4.10 0.00 3.20 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 0.00 143 L 8.51 3.64 0.00 1.72 1.37 0.67 0.01 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 0.00 144 K 8.04 3.75 0.00 1.87 2.08 0.00 1.07 0.00 0.00 1.48 0.00 0.00 2.71 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.01 0.66 7.81 145 C 7.61 3.60 0.00 3.02 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 7.53 3.80 0.00 1.67 1.59 0.77 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.02 3.91 0.00 2.01 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 2.40 2.57 0.00 148 E 7.83 3.75 0.00 1.33 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.47 0.00 149 L 7.84 4.09 0.00 1.79 1.66 0.87 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 150 A 7.79 4.08 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 0.00 151 A 7.59 4.27 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 0.00 152 G 7.95 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 0.00 0.00 0.00 153 N 8.13 4.76 0.00 2.81 2.87 0.00 0.00 7.24 6.01 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 0.00 154 N 8.55 4.55 0.00 2.78 2.84 0.00 0.00 7.06 7.66 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 0.00 155 E 8.21 4.05 0.00 2.11 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 2.31 2.36 0.00 156 F 7.63 4.29 0.00 3.15 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 0.00 157 L 7.74 3.99 0.00 1.86 1.72 0.93 0.45 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 0.00 158 L 8.02 3.98 0.00 1.67 1.74 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 159 A 7.93 4.12 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 0.00 160 K 8.15 3.97 0.00 1.99 2.09 0.00 1.57 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.58 1.41 7.81 161 T 8.35 4.12 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 162 R 8.13 4.15 0.00 2.10 2.23 0.00 2.80 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.74 0.00 163 L 8.56 4.18 0.00 2.05 1.97 1.36 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 164 E 8.56 3.84 0.00 2.25 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 2.36 2.81 0.00 165 A 7.71 4.02 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 0.00 166 T 7.78 3.82 4.41 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 1.22 0.00 0.00 167 L 7.80 3.90 0.00 1.60 1.57 0.29 0.71 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 0.00 168 E 8.07 4.06 0.00 2.11 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 2.31 2.48 0.00 169 A 7.92 4.06 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 0.00 170 R 7.36 4.37 0.00 1.84 1.93 0.00 3.18 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 171 R 7.22 3.95 0.00 1.87 1.79 0.00 3.22 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 172 S 8.04 4.62 0.00 3.88 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 0.00 173 Q 8.54 3.79 0.00 1.42 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 7.25 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 174 E 7.66 4.50 0.00 2.31 2.35 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 2.38 2.47 0.00 *176 D 8.24 4.53 0.00 2.92 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 0.00 177 Y 8.22 4.17 0.00 3.41 3.45 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 0.00 178 F 8.85 4.59 0.00 3.49 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 *180 E 8.13 4.30 0.00 1.99 1.91 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 2.35 2.26 0.00 181 I 7.72 3.77 0.89 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 -0.36 0.14 0.00 0.00 182 F 7.97 4.74 0.00 2.22 2.59 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 0.00 183 V 7.72 4.29 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 1.27 0.00 0.00 1.35 0.00 0.00 184 P 0.00 4.42 0.00 2.11 2.14 0.00 3.78 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.15 0.00 185 S 8.13 4.25 0.00 3.81 3.85 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 0.00 186 F 8.02 4.36 0.00 2.92 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 0.00 187 H 8.08 4.41 0.00 3.23 3.19 0.00 5.78 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.