NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4408 8.3001 120.2692 54.6970 33.6949 174.5008 2 A 3.9983 8.5143 122.4657 51.2291 19.1937 172.3232 3 V 3.8380 9.0144 121.6568 62.5810 32.4361 174.2074 4 N 4.7483 8.8265 125.5259 52.6167 39.5525 174.5525 5 V 4.2885 8.0486 119.8085 61.2409 34.2035 174.4076 6 Y 4.9333 8.7284 123.9657 55.7882 40.9725 176.9069 7 S 4.2571 8.8638 117.0279 61.6873 62.9148 175.9030 8 T 4.2975 7.8985 107.9505 62.2134 69.3392 175.3156 9 S 4.2639 7.8612 119.1834 58.5036 63.3711 173.9546 10 V 3.8707 8.2318 124.0808 62.5378 31.5795 175.2644 11 T 4.6571 8.0165 116.0055 59.2710 71.9152 173.2702 12 S 4.2830 8.2376 117.7624 58.1253 63.4015 174.2443 13 D 4.4839 8.2590 121.3356 54.3107 41.0871 176.7435 14 N 4.5320 8.4762 119.0795 53.5479 39.2221 174.5292 15 L 4.7448 8.3054 120.8228 52.8540 44.0839 177.5461 16 S 4.6755 8.4006 116.8159 58.0405 65.1474 175.3932 17 R 4.1197 8.7207 119.2323 59.8955 28.9591 178.4147 18 H 4.2202 8.2191 118.1671 59.3907 30.0820 176.9833 19 D 4.3536 8.2667 120.5910 57.2345 40.5736 178.5305 20 M 4.2261 8.3809 119.1173 58.6906 32.2594 178.2531 21 L 4.0818 8.1938 119.0376 57.6490 41.6947 179.2302 22 A 3.9825 8.0002 120.5054 54.9165 18.3310 179.4511 23 W 4.1669 8.2618 126.7063 60.7111 30.8042 178.2165 24 I 3.2650 7.9442 119.5936 64.4208 36.5662 178.2843 25 N 4.2535 8.7517 117.6253 56.3636 38.1407 177.4692 26 E 3.9974 8.2965 119.3845 59.3617 29.6517 179.2120 27 S 4.2253 7.8858 114.5040 60.5419 62.9480 175.6372 28 L 4.2879 7.3228 118.1261 52.9992 43.1749 176.0280 29 Q 3.3967 7.8614 116.4545 57.4227 25.6757 171.4258 30 L 4.7600 7.6833 116.2873 53.0107 45.5606 176.2276 31 N 5.0458 8.0719 115.3322 52.9711 39.0132 174.3531 32 L 4.2826 8.4487 117.9791 55.1777 42.4727 177.8707 33 T 4.6121 9.1806 110.5276 61.2264 70.2292 174.2841 34 K 4.7221 7.8379 121.3991 53.8249 36.3059 177.0898 35 I 3.8513 8.7288 123.5153 64.7471 37.0076 178.4385 36 E 4.0749 8.4714 118.7661 59.3508 29.3886 178.5922 37 Q 4.2182 8.0780 116.8554 57.1952 28.9114 177.3598 38 L 4.2146 8.1879 120.6144 55.6908 41.4425 178.1724 39 C 4.3588 8.0557 116.2313 61.2601 28.7884 175.8063 40 S 3.4025 7.3996 115.0640 58.8487 62.8462 176.2067 41 G 3.0377 7.9479 110.2329 45.6345 0.0000 175.4688 42 A 3.6892 7.4450 121.1986 54.8027 18.1429 179.5201 43 A 3.7157 7.5524 118.9026 55.4476 18.4776 179.2754 44 Y 4.0859 7.2018 114.6899 61.2924 37.9277 178.3117 45 C 4.1741 7.9447 117.5444 63.1595 28.2634 176.1546 46 Q 4.1498 8.2735 120.8873 59.1710 28.5268 178.1318 47 F 4.4422 8.6181 119.3952 60.8641 38.8668 177.5397 48 M 4.4992 8.8994 118.6378 58.4195 31.5627 178.1440 49 D 4.4769 8.3902 118.4247 57.6289 41.1726 178.1188 50 M 3.4406 7.8764 117.5969 58.3359 32.2500 177.9928 51 L 3.8578 7.9632 118.1350 56.4060 43.2231 177.9208 52 F 4.9455 8.2119 118.1013 54.0123 39.4871 170.9813 53 P 4.6574 0.0000 0.0000 63.6017 30.7476 177.0259 54 G 4.1251 8.6589 110.9001 45.2547 0.0000 175.2468 55 S 4.4073 8.5363 114.3600 59.9647 63.5427 174.0603 56 I 4.7062 7.1558 121.4238 59.3991 40.0672 176.2878 57 A 4.3877 8.3276 128.2908 50.3374 17.0253 177.1323 58 L 3.9896 8.2904 124.3605 57.6691 42.6058 179.4081 59 K 3.9965 8.1064 117.9488 58.9749 32.2170 177.3580 60 K 4.2122 7.9039 116.5685 57.2209 32.4867 177.3491 61 V 3.5937 7.5305 119.9453 62.4916 31.7932 176.2380 62 K 4.2695 8.7191 127.5786 55.0786 30.7221 177.2575 63 F 4.3300 8.3257 122.2478 59.1433 39.2868 176.4666 64 Q 4.6712 7.8539 118.9107 55.0110 29.3645 175.4684 65 A 4.4508 7.5533 120.8754 52.9498 18.7616 178.6720 66 K 4.8181 8.9670 118.0794 55.5766 34.8495 176.4086 67 L 4.5128 7.2904 119.0452 51.9833 44.8693 177.0232 68 E 3.3087 8.3081 122.3607 59.4255 29.4913 178.9608 69 H 4.3124 7.8125 114.4759 58.2683 28.7141 177.3258 70 E 3.9875 7.7082 121.8134 59.3249 29.1844 178.6036 71 Y 4.6410 7.4747 117.7669 60.8052 37.9352 178.6015 72 I 3.9010 7.9888 120.7261 64.4175 37.1690 178.5079 73 Q 4.0107 8.1053 119.0464 59.0284 28.5423 178.5475 74 N 4.2359 8.3032 117.4675 56.4319 38.5329 177.5472 75 F 4.0818 8.4317 119.2655 60.2856 38.9054 177.9653 76 K 4.3776 8.3808 119.9306 58.7769 31.7935 179.4212 77 I 3.7016 7.8128 120.3024 64.1937 36.9467 178.0792 78 L 3.9000 7.9225 121.0764 58.3688 41.4889 178.9652 79 Q 3.8728 8.4408 118.0672 59.0453 28.5448 178.9224 80 A 4.2482 8.3395 121.8891 54.9056 18.3310 179.9907 81 G 3.7133 8.1311 104.4698 48.8288 0.0000 175.8898 82 F 4.4399 8.7934 120.8320 60.3337 39.0689 177.6686 83 K 3.9819 8.5572 119.4262 59.6528 31.8223 178.7605 84 R 3.9789 8.2530 117.9683 59.0649 30.2163 177.3622 85 M 4.3542 8.3082 116.4686 54.2800 31.9243 176.7356 86 G 3.9123 7.7667 106.7120 46.3187 0.0000 174.0488 87 V 3.8890 8.0275 120.5782 62.2562 31.7263 175.3683 88 D 4.8025 8.8916 126.3222 52.7824 39.5476 176.0893 89 K 3.8294 7.5596 121.3563 56.4046 32.5734 176.2773 90 I 4.0624 8.0393 127.3323 60.7233 37.9791 175.1727 91 I 4.0480 8.0846 126.2223 59.5725 38.6829 175.9474 92 P 4.4332 0.0000 0.0000 61.4520 27.7836 176.6828 93 V 2.8439 7.2600 123.7734 66.6414 31.6409 176.4009 94 D 4.3089 7.9220 118.1412 56.7234 38.5699 178.7268 95 K 3.9757 7.7793 119.1831 58.7349 32.0499 179.3522 96 L 3.7855 7.4562 118.9879 57.8674 41.3873 179.7902 97 V 4.1098 7.3782 109.4324 63.0048 31.6684 177.5372 98 K 4.1180 7.4689 118.3373 57.2013 32.0055 177.8195 99 G 3.9272 8.3122 107.2050 45.8228 0.0000 173.7749 100 K 4.1537 7.5317 119.8995 55.8603 32.7630 177.6799 101 F 4.1256 9.1682 126.2785 61.6078 39.4279 176.9603 102 Q 4.0482 8.2687 118.6065 59.3313 28.9164 177.8424 103 D 4.3822 8.0555 119.4509 57.4720 40.9338 178.3323 104 N 4.5090 8.2955 117.0700 56.1694 38.5207 177.3649 105 F 4.3253 8.4834 122.5745 61.1778 39.5328 176.8192 106 E 3.8282 8.3680 119.0901 59.3043 29.3722 178.6274 107 F 4.2656 8.5265 120.9754 61.3130 39.4168 177.5418 108 V 3.9574 8.4459 118.9873 64.7825 31.1208 178.3851 109 Q 3.8202 8.1534 118.9004 58.4422 28.4320 178.5529 110 W 3.9902 8.0049 128.9810 60.4853 30.8080 177.7848 111 F 3.0117 8.3196 120.9237 60.7700 38.6871 176.9242 112 K 3.3856 8.2210 119.4838 59.2001 31.8519 178.9666 113 K 3.6979 7.3465 118.8878 59.0504 31.9695 179.0524 114 F 3.5617 7.3762 121.2206 60.8925 39.0610 176.7105 115 F 3.5331 7.9118 120.3740 61.4884 38.9113 176.9702 116 D 4.2749 7.9986 116.7902 56.9972 40.6125 178.2310 117 A 4.0148 7.3829 120.0358 53.6494 18.5009 177.5682 118 N 4.5784 6.7094 110.8205 52.8767 40.8210 174.4918 119 Y 3.8210 7.4271 120.5216 57.4019 39.0179 174.9792 120 D 4.2858 8.1364 125.2042 52.8146 40.1294 177.1766 121 G 3.4263 5.5006 108.0947 44.7240 0.0000 173.9842 122 K 4.0270 7.4205 118.7522 56.5667 32.9896 176.7575 123 D 4.6042 8.4827 120.9748 55.0905 41.3851 175.6530 124 Y 4.5217 8.3526 122.7421 55.6108 41.8161 173.9639 125 D 4.6052 7.9362 127.0031 51.9719 42.3359 174.6446 126 P 4.0833 0.0000 0.0000 65.4694 31.5999 178.6396 127 V 3.3390 7.6079 117.5040 65.6555 31.5012 177.4534 128 A 3.8600 8.2446 120.4231 55.3192 17.9478 179.3472 129 A 3.6044 7.4842 117.7064 55.3275 18.4998 179.3869 130 R 3.8206 7.3274 113.1868 56.3933 30.1346 177.2140 131 Q 3.8321 8.5552 118.0689 56.4280 27.4359 174.4449 132 G 4.0492 7.4512 107.8809 45.1460 0.0000 173.4298 *187 G 3.9375 8.9715 113.3301 45.3477 0.0000 172.4000 188 N 4.6050 10.0034 118.2297 52.5239 41.1052 173.4898 189 G 4.7438 7.4012 116.1101 45.5327 0.0000 171.5817 190 D 4.4480 8.4662 124.7668 54.0946 41.2794 175.9451 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 M 8.30 4.44 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 2 A 8.51 4.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 V 9.01 3.84 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 0.77 0.00 0.00 0.89 0.00 0.00 4 N 8.83 4.75 0.00 2.80 2.19 0.00 0.00 6.86 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 5 V 8.05 4.29 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.85 0.00 0.00 6 Y 8.73 4.93 0.00 3.05 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 7 S 8.86 4.26 0.00 3.92 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 8 T 7.90 4.30 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 1.22 0.00 0.00 9 S 7.86 4.26 0.00 4.07 3.88 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 10 V 8.23 3.87 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 0.80 0.00 0.00 0.93 0.00 0.00 11 T 8.02 4.66 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 12 S 8.24 4.28 0.00 3.76 3.77 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 13 D 8.26 4.48 0.00 2.63 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 14 N 8.48 4.53 0.00 2.69 2.75 0.00 0.00 6.86 7.85 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 15 L 8.31 4.74 0.00 1.62 1.62 0.75 0.70 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 16 S 8.40 4.68 0.00 4.17 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 17 R 8.72 4.12 0.00 2.07 1.94 0.00 2.88 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 18 H 8.22 4.22 0.00 3.24 3.40 0.00 5.69 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 19 D 8.27 4.35 0.00 2.80 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 M 8.38 4.23 0.00 2.41 2.34 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.89 0.00 21 L 8.19 4.08 0.00 1.99 1.76 1.01 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.00 3.98 1.40 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 0.00 0.00 0.00 23 W 8.26 4.17 0.00 3.36 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.94 3.27 1.95 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.73 0.75 0.00 0.00 25 N 8.75 4.25 0.00 2.76 2.91 0.00 0.00 7.11 8.32 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 26 E 8.30 4.00 0.00 1.96 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 2.34 2.45 0.00 27 S 7.89 4.23 0.00 3.51 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 28 L 7.32 4.29 0.00 1.37 1.35 -0.07 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 7.86 3.40 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.77 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 30 L 7.68 4.76 0.00 1.63 1.48 0.74 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 31 N 8.07 5.05 0.00 2.58 2.67 0.00 0.00 6.95 7.78 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 32 L 8.45 4.28 0.00 1.66 1.69 0.86 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 33 T 9.18 4.61 4.25 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 1.21 0.00 0.00 34 K 7.84 4.72 0.00 1.81 1.97 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.92 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.43 1.46 7.81 35 I 8.73 3.85 2.13 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.95 0.94 0.00 0.00 36 E 8.47 4.07 0.00 2.13 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 0.00 2.59 2.72 0.00 37 Q 8.08 4.22 0.00 2.25 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 38 L 8.19 4.21 0.00 1.89 1.72 1.09 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 39 C 8.06 4.36 0.00 3.34 3.31 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 40 S 7.40 3.40 0.00 3.87 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 41 G 7.95 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 0.00 0.00 0.00 42 A 7.45 3.69 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 7.55 3.72 0.95 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 44 Y 7.20 4.09 0.00 2.86 2.80 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 45 C 7.94 4.17 0.00 3.06 2.95 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 46 Q 8.27 4.15 0.00 2.33 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 47 F 8.62 4.44 0.00 3.69 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 48 M 8.90 4.50 0.00 2.42 2.60 0.00 0.00 0.00 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.20 3.49 0.00 49 D 8.39 4.48 0.00 2.98 3.02 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 50 M 7.88 3.44 0.00 2.21 1.17 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.53 0.00 51 L 7.96 3.86 0.00 1.36 0.16 0.74 -0.04 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 52 F 8.21 4.95 0.00 3.22 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 53 P 0.00 4.66 0.00 2.14 2.15 0.00 3.80 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.27 0.00 54 G 8.66 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 0.00 0.00 0.00 55 S 8.54 4.41 0.00 4.19 4.36 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 56 I 7.16 4.71 2.03 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.66 1.07 0.00 0.00 57 A 8.33 4.39 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 58 L 8.29 3.99 0.00 1.80 1.82 1.12 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.11 4.00 0.00 1.78 1.87 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.12 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.56 7.81 60 K 7.90 4.21 0.00 1.96 1.82 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.52 7.81 61 V 7.53 3.59 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 -0.13 0.00 0.00 0.83 0.00 0.00 62 K 8.72 4.27 0.00 1.77 1.72 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.34 7.81 63 F 8.33 4.33 0.00 3.07 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 64 Q 7.85 4.67 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.91 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 65 A 7.55 4.45 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 66 K 8.97 4.82 0.00 1.71 1.81 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.55 7.81 67 L 7.29 4.51 0.00 1.36 1.23 0.88 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.31 3.31 0.00 1.92 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 2.37 2.44 0.00 69 H 7.81 4.31 0.00 3.35 3.50 0.00 5.51 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 E 7.71 3.99 0.00 2.07 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 2.27 2.13 0.00 71 Y 7.47 4.64 0.00 3.14 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 72 I 7.99 3.90 2.08 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.85 0.95 0.00 0.00 73 Q 8.11 4.01 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.61 0.00 74 N 8.30 4.24 0.00 2.86 2.58 0.00 0.00 7.05 7.62 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 75 F 8.43 4.08 0.00 3.05 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 76 K 8.38 4.38 0.00 1.95 1.87 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.59 1.54 7.81 77 I 7.81 3.70 1.98 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 1.56 0.99 0.91 0.00 0.00 78 L 7.92 3.90 0.00 1.63 1.75 1.09 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 79 Q 8.44 3.87 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.53 0.00 80 A 8.34 4.25 1.40 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 0.00 0.00 0.00 81 G 8.13 3.71 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 0.00 0.00 0.00 82 F 8.79 4.44 0.00 3.20 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 83 K 8.56 3.98 0.00 1.88 2.01 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.49 7.81 84 R 8.25 3.98 0.00 1.94 2.22 0.00 3.35 0.00 0.00 3.38 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 85 M 8.31 4.35 0.00 1.49 1.91 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.83 0.00 86 G 7.77 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 87 V 8.03 3.89 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 -0.21 0.00 0.00 0.76 0.00 0.00 88 D 8.89 4.80 0.00 2.84 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 K 7.56 3.83 0.00 1.00 1.28 0.00 1.02 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.30 1.12 7.81 90 I 8.04 4.06 1.80 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.61 0.86 0.00 0.00 91 I 8.08 4.05 1.67 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 1.59 0.57 0.25 0.00 0.00 92 P 0.00 4.43 0.00 2.10 2.10 0.00 3.17 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.92 0.00 93 V 7.26 2.84 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 0.91 0.00 0.00 0.75 0.00 0.00 94 D 7.92 4.31 0.00 2.85 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 95 K 7.78 3.98 0.00 1.78 1.85 0.00 1.66 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.41 7.81 96 L 7.46 3.79 0.00 1.16 1.43 -0.08 0.67 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 97 V 7.38 4.11 2.34 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 1.00 0.00 0.00 1.05 0.00 0.00 98 K 7.47 4.12 0.00 1.78 1.89 0.00 1.80 0.00 0.00 1.89 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.76 1.54 7.81 99 G 8.31 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 0.00 0.00 0.00 100 K 7.53 4.15 0.00 1.79 1.82 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.54 7.81 101 F 9.17 4.13 0.00 3.29 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 0.00 102 Q 8.27 4.05 0.00 2.38 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.69 0.00 0.00 0.00 0.00 0.00 2.53 2.60 0.00 103 D 8.06 4.38 0.00 2.73 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 0.00 104 N 8.30 4.51 0.00 2.90 2.98 0.00 0.00 6.68 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 F 8.48 4.33 0.00 2.01 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 E 8.37 3.83 0.00 2.09 2.17 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 2.40 2.36 0.00 107 F 8.53 4.27 0.00 3.25 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 0.00 108 V 8.45 3.96 2.49 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 1.01 0.00 0.00 1.32 0.00 0.00 109 Q 8.15 3.82 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.84 0.00 0.00 0.00 0.00 0.00 1.93 2.05 0.00 110 W 8.00 3.99 0.00 3.37 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 0.00 111 F 8.32 3.01 0.00 2.81 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 0.00 112 K 8.22 3.39 0.00 1.29 1.56 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.78 0.93 7.81 113 K 7.35 3.70 0.00 1.57 1.61 0.00 1.63 0.00 0.00 1.49 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.28 1.35 7.81 114 F 7.38 3.56 0.00 1.51 1.81 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 0.00 115 F 7.91 3.53 0.00 2.78 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 0.00 116 D 8.00 4.27 0.00 2.44 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 0.00 117 A 7.38 4.01 1.11 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 0.00 118 N 6.71 4.58 0.00 1.99 2.33 0.00 0.00 6.92 7.34 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 0.00 119 Y 7.43 3.82 0.00 1.75 2.51 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 0.00 120 D 8.14 4.29 0.00 2.61 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 5.50 3.43 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 0.00 122 K 7.42 4.03 0.00 1.95 1.88 0.00 1.86 0.00 0.00 1.81 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.67 1.62 7.81 123 D 8.48 4.60 0.00 2.74 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 0.00 124 Y 8.35 4.52 0.00 2.96 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 D 7.94 4.61 0.00 2.61 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 0.00 126 P 0.00 4.08 0.00 2.37 2.38 0.00 3.66 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.17 0.00 127 V 7.61 3.34 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.89 0.00 0.00 128 A 8.24 3.86 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 0.00 129 A 7.48 3.60 1.21 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 0.00 0.00 130 R 7.33 3.82 0.00 1.53 1.35 0.00 2.21 0.00 0.00 2.38 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 1.46 0.00 131 Q 8.56 3.83 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.65 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 132 G 7.45 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 *187 G 8.97 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 0.00 0.00 0.00 188 N 10.00 4.60 0.00 2.66 2.81 0.00 0.00 6.72 7.98 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 0.00 189 G 7.40 4.74 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 0.00 0.00 0.00 190 D 8.47 4.45 0.00 2.65 2.55 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.