NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Y 4.6532 8.0033 118.2956 57.8479 39.2658 173.7462 3 F 4.8101 8.7880 123.7962 55.0911 39.5163 168.7497 4 V 4.2630 8.4438 126.0241 60.9538 34.5184 176.8642 5 D 4.6968 8.3322 127.2985 53.7325 37.5284 176.5446 6 R 3.9055 7.6546 123.5841 59.0725 30.8766 177.3830 7 S 4.0866 8.0103 114.6438 61.5358 62.8460 176.4014 8 K 3.9084 7.9792 121.8445 59.5905 31.8761 178.8269 9 I 3.7015 7.7679 119.8720 64.5768 37.0880 178.4057 10 E 4.0124 8.8223 119.6603 59.6374 29.3864 179.8956 11 K 4.3541 7.9064 118.3564 59.6253 32.0024 178.7703 12 T 4.0888 8.3482 110.2688 64.5903 68.7609 176.6691 13 L 4.1996 8.5152 122.6384 57.5966 41.6475 179.6080 14 G 3.7013 8.3053 105.7095 47.7140 0.0000 175.3915 15 F 4.1527 8.3364 123.2357 60.9972 39.3764 176.5410 16 F 4.1310 8.8782 120.6501 61.8247 39.0562 177.0403 17 E 3.9708 8.7116 117.8558 59.5780 29.2666 178.7965 18 H 4.0745 8.2791 118.2296 59.5059 29.8489 177.3838 19 Q 3.8061 7.7889 119.7179 58.6298 28.4737 178.4208 20 L 3.7366 7.8057 121.3827 58.0378 41.8616 178.7708 21 A 4.0236 8.0217 119.9076 55.3336 18.5729 179.3368 22 L 4.1064 7.8710 117.3867 57.8020 41.4547 179.3893 23 F 4.2511 8.2044 120.0385 61.2261 39.3837 175.8666 24 D 4.5438 7.9796 114.5332 53.8286 41.1811 175.9798 25 S 4.5504 7.3769 113.2146 58.0841 64.5210 175.1089 26 Q 4.2103 8.1080 121.0815 54.6913 26.8739 174.5877 27 T 4.0416 6.8227 115.6605 62.1919 71.4750 176.7346 28 D 4.0147 7.1198 125.5035 55.5595 38.5151 176.2831 29 W 4.7784 7.4934 116.7469 57.5862 29.7934 177.0798 30 Q 4.3734 8.0459 117.0787 56.2927 30.1864 177.2864 31 S 3.5201 8.4734 111.3418 58.9096 63.4472 175.7066 32 E 3.2976 7.9666 123.2053 57.4229 30.3398 178.9068 33 I 3.8804 7.5092 118.0246 64.4746 37.6302 178.7423 34 G 4.0251 8.7342 108.3501 47.3814 0.0000 175.5313 35 E 4.1428 8.8657 121.3828 59.1954 29.4902 179.5459 36 L 4.0487 7.9988 118.3689 57.7479 41.6577 179.3777 37 A 4.1044 8.4143 120.9723 55.1961 18.2762 179.4674 38 L 3.7577 8.4271 118.8886 58.2517 42.1336 179.1348 39 Q 4.0241 8.2404 118.1245 58.9609 28.6114 178.8661 40 R 3.9541 8.0710 119.6325 59.4084 30.1341 178.4534 41 I 3.7293 8.0357 119.8787 64.3831 37.1376 178.3431 42 G 3.6304 8.1495 106.5744 48.1522 0.0000 174.8944 43 H 4.1987 8.3108 120.8875 59.0022 29.8801 177.2225 44 L 4.0377 8.3081 121.0256 57.7611 41.4641 179.4347 45 L 4.1130 8.3003 119.2360 57.9678 41.5122 179.6381 46 I 3.6306 7.7169 119.4314 64.5544 37.0687 178.3639 47 E 3.9177 8.4044 119.4312 59.6217 29.2556 179.2242 48 C 4.2228 8.4067 116.7958 62.8859 28.1915 176.3308 49 I 3.3486 7.6946 121.2566 64.2471 36.5987 178.5438 50 L 4.0028 8.0452 119.9912 57.8606 41.3659 179.4034 51 D 4.3525 8.5215 119.2248 57.6289 40.5619 178.9275 52 T 3.9808 7.9492 115.1477 66.5295 68.5677 176.4578 53 G 3.9167 8.3066 106.6351 48.0679 0.0000 174.8901 54 N 4.5846 8.5267 119.7968 55.9943 38.4881 178.2463 55 D 4.6190 8.1576 117.7148 54.8099 40.3879 178.5327 *57 I 4.1335 7.7050 121.6792 61.7081 39.5056 177.8747 58 D 4.4443 8.5792 120.3229 57.4413 40.8628 179.2507 59 G 3.6695 8.3079 106.9887 49.0935 0.0000 174.2826 60 F 4.1780 7.6174 116.4682 55.7484 38.9293 174.7088 61 I 2.9807 7.2607 120.0601 61.8054 35.1941 173.4326 *63 R 4.0489 8.1875 123.4793 55.7567 30.8584 174.3403 64 D 4.5500 8.5606 124.4651 52.9879 41.9314 173.9788 65 P 4.4640 0.0000 0.0000 62.3930 32.2799 176.6748 66 G 3.6884 8.8642 111.7355 48.0150 0.0000 173.3366 67 S 4.7124 8.9610 113.7186 55.6946 66.3611 174.2735 68 Y 4.1991 8.4061 118.3577 60.1809 37.5249 178.3831 69 D 4.4432 7.0513 119.1028 56.5494 41.2390 177.0229 70 D 4.5177 8.1685 118.9789 56.0470 41.4273 178.3980 71 I 3.6678 7.4376 119.2046 62.8171 37.6776 177.1124 *73 D 4.5867 8.1399 122.4636 54.5666 42.8568 178.0636 74 I 3.7115 7.6836 119.2755 64.3726 36.9639 178.4537 75 L 3.8819 7.9264 119.8765 57.5560 41.2789 179.8911 76 V 3.6991 7.6509 117.7049 66.2456 31.4428 177.4062 77 D 4.3912 7.9918 117.3384 57.4338 40.7838 178.0697 78 E 4.3196 8.0833 115.5616 55.2749 29.7513 176.4095 79 K 3.8836 7.9886 117.5070 57.4794 30.4156 177.5513 80 V 3.5783 8.0833 120.1649 65.3301 31.5448 176.2091 81 V 4.5496 7.2090 109.8068 58.7130 35.1496 175.8455 82 T 4.1416 8.7845 112.4808 61.3041 70.6270 175.0988 83 E 3.9043 8.7428 122.6912 59.5128 29.5953 179.3316 84 K 3.9865 7.9794 118.1235 60.0248 32.6539 178.5546 85 E 4.0574 8.3494 120.1352 59.0860 29.3465 179.5992 86 G 3.6403 8.3188 105.6708 47.9914 0.0000 175.3902 87 D 4.3389 7.9026 120.2837 56.9637 40.8518 178.4666 88 E 3.8953 8.2185 118.9458 59.4972 29.4863 179.5202 89 L 3.9084 8.1517 119.2031 57.6328 41.6236 179.6184 90 K 3.9214 8.2712 118.6993 59.5299 31.7215 179.4616 91 K 4.0239 7.4964 117.5315 59.1257 32.1148 178.9579 92 L 4.0786 7.7139 120.2462 58.2726 42.1151 178.7675 93 I 3.6629 7.9563 119.6003 64.3959 36.7994 178.0686 94 A 4.1034 8.0123 120.4425 54.6882 18.5532 178.1917 95 Y 4.0689 8.2542 117.4655 58.7672 38.9168 177.0550 96 R 3.8284 8.1026 120.2345 60.0815 30.0907 178.0480 97 K 3.9123 8.0380 118.7256 59.8068 32.1509 178.6317 98 T 3.6735 7.5191 115.4524 66.5982 68.1005 176.4912 99 L 4.0640 7.5292 119.5351 57.1589 41.7251 179.0048 100 V 4.1750 7.8126 110.4305 61.5378 32.7323 176.7449 101 Q 4.5198 8.0193 116.2453 56.8625 32.0098 176.3031 102 Q 4.3814 8.0754 119.4423 55.0644 28.6731 176.7627 103 Y 4.6637 6.7416 116.3797 58.8837 38.9799 178.4510 104 L 4.0788 7.3467 119.8252 57.2167 41.7515 177.6426 105 L 4.3223 7.6258 116.2030 54.5233 42.1718 176.8888 106 A 4.0566 7.4995 122.2863 52.5616 18.8899 177.3690 107 D 4.7648 9.1432 120.8431 51.9232 43.4166 176.5786 108 S 4.3247 8.7692 124.6236 61.2608 62.8898 176.9015 109 G 3.5812 8.2017 108.3135 47.6104 0.0000 175.0701 110 E 3.8900 8.2495 121.6552 58.9958 29.5811 178.7670 111 L 3.3804 7.7777 120.1053 57.9426 42.0124 177.9215 112 Y 3.9652 8.1818 119.8817 61.1117 38.6420 178.6911 113 R 3.9348 8.1031 118.6640 58.9085 29.8761 178.8536 114 L 3.7921 7.5630 119.3346 58.2044 42.3724 178.8225 115 I 3.4774 7.4599 119.7631 63.9848 36.9959 178.3053 116 K 3.8384 7.8977 120.4671 59.5476 31.7928 178.6538 117 A 4.0183 7.8056 119.6203 54.3580 18.3602 177.7119 118 H 5.1823 7.3493 112.7570 54.7394 29.8088 176.1143 119 Q 3.8995 8.0038 123.3666 59.4772 28.7603 178.0640 120 T 4.0168 7.9029 116.0974 66.6919 68.5959 176.2217 121 A 4.0749 8.0289 122.1030 55.0657 18.1842 179.4368 122 L 4.1123 7.9037 116.5109 58.3369 41.8675 179.4005 123 Q 4.2932 8.3282 116.7952 59.2342 28.9338 178.4601 124 D 4.5759 8.4577 119.1042 56.1040 40.9530 178.3788 125 F 4.0897 7.9823 121.6045 61.0292 39.2652 175.2556 126 P 4.0150 0.0000 0.0000 65.3086 31.0482 178.6680 127 K 3.9022 7.9931 116.7699 59.5253 32.0386 179.2268 128 R 3.8486 7.9509 118.1715 59.3518 29.9224 179.1619 129 I 3.4667 7.2947 119.2393 64.4442 36.9924 178.7663 130 R 3.8983 8.1092 119.0675 59.3147 29.7792 179.2934 131 S 4.0897 8.2710 115.1460 61.6620 62.7982 176.1278 132 Y 3.7222 7.9499 122.1039 60.5561 38.4886 177.9747 133 L 4.1665 8.2137 120.0350 58.1132 41.7892 179.4968 134 E 4.3656 8.3935 119.9889 59.2598 29.1548 179.6394 135 T 3.7906 7.9318 115.0868 66.4197 68.5638 176.0645 136 E 4.2427 7.9898 118.8921 57.3370 30.0147 177.1056 137 L 4.5620 8.4009 116.3310 53.5992 43.7749 177.1980 138 G 3.8484 8.0550 107.5006 43.7945 0.0000 171.9946 139 P 4.4185 0.0000 0.0000 64.3793 31.8685 177.0260 140 V 4.1303 7.6237 115.6642 63.9734 33.8331 175.3179 141 S 4.4481 7.7974 111.6891 56.9473 63.5846 173.5346 142 A 4.0459 7.8850 127.0128 53.1693 18.8876 177.8938 143 F 5.5590 7.5738 118.7738 56.7485 39.4459 175.0464 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 Y 8.00 4.65 0.00 2.93 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 3 F 8.79 4.81 0.00 3.22 3.09 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 4 V 8.44 4.26 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 0.63 0.00 0.00 0.08 0.00 0.00 5 D 8.33 4.70 0.00 2.78 2.57 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 0.00 0.00 0.00 0.00 6 R 7.65 3.91 0.00 1.83 1.81 0.00 3.30 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 7 S 8.01 4.09 0.00 3.89 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 7.98 3.91 0.00 1.96 2.00 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.47 7.81 9 I 7.77 3.70 1.88 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 1.54 0.68 0.90 0.00 0.00 10 E 8.82 4.01 0.00 2.00 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 2.33 2.51 0.00 11 K 7.91 4.35 0.00 1.95 1.85 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.58 7.81 12 T 8.35 4.09 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 1.28 0.00 0.00 13 L 8.52 4.20 0.00 1.91 1.82 0.89 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.31 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 0.00 0.00 0.00 15 F 8.34 4.15 0.00 3.32 3.36 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 16 F 8.88 4.13 0.00 3.39 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 17 E 8.71 3.97 0.00 2.32 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 2.54 2.77 0.00 18 H 8.28 4.07 0.00 3.21 3.30 0.00 5.78 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 Q 7.79 3.81 0.00 1.82 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.03 2.22 0.00 20 L 7.81 3.74 0.00 1.35 1.64 0.70 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.02 4.02 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 22 L 7.87 4.11 0.00 1.91 1.83 0.83 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 23 F 8.20 4.25 0.00 2.81 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.98 4.54 0.00 2.88 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 25 S 7.38 4.55 0.00 4.00 4.03 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 26 Q 8.11 4.21 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.73 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 27 T 6.82 4.04 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 28 D 7.12 4.01 0.00 2.63 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.49 4.78 0.00 3.21 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 30 Q 8.05 4.37 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.27 0.00 0.00 0.00 0.00 0.00 2.30 2.22 0.00 31 S 8.47 3.52 0.00 4.08 4.12 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 32 E 7.97 3.30 0.00 2.09 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 0.00 2.40 2.46 0.00 33 I 7.51 3.88 1.87 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 0.90 0.92 0.00 0.00 34 G 8.73 4.03 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 0.00 0.00 0.00 35 E 8.87 4.14 0.00 2.21 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 2.41 2.78 0.00 36 L 8.00 4.05 0.00 1.96 1.77 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.41 4.10 1.59 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 0.00 0.00 38 L 8.43 3.76 0.00 1.88 1.88 0.45 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 8.24 4.02 0.00 2.38 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.49 2.60 0.00 40 R 8.07 3.95 0.00 2.00 2.14 0.00 3.22 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 41 I 8.04 3.73 1.92 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.61 0.75 0.00 0.00 42 G 8.15 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 0.00 0.00 0.00 43 H 8.31 4.20 0.00 3.31 3.50 0.00 5.62 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 44 L 8.31 4.04 0.00 1.87 1.95 1.06 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.30 4.11 0.00 1.72 1.72 0.53 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 46 I 7.72 3.63 2.02 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 1.50 0.75 0.83 0.00 0.00 47 E 8.40 3.92 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.44 0.00 48 C 8.41 4.22 0.00 3.51 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 49 I 7.69 3.35 1.76 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.35 0.41 0.00 0.00 50 L 8.05 4.00 0.00 1.62 1.70 0.59 1.46 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 51 D 8.52 4.35 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 52 T 7.95 3.98 4.50 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 1.20 0.00 0.00 53 G 8.31 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 54 N 8.53 4.58 0.00 2.92 2.92 0.00 0.00 7.11 7.64 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 55 D 8.16 4.62 0.00 2.85 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *57 I 7.70 4.13 2.09 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 1.42 0.97 0.99 0.00 0.00 58 D 8.58 4.44 0.00 2.71 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.31 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 F 7.62 4.18 0.00 3.07 2.82 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 61 I 7.26 2.98 2.07 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.71 1.01 0.00 0.00 *63 R 8.19 4.05 0.00 1.81 1.88 0.00 3.24 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 64 D 8.56 4.55 0.00 2.68 2.57 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 0.00 0.00 0.00 0.00 65 P 0.00 4.46 0.00 2.39 2.05 0.00 3.84 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 66 G 8.86 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.96 4.71 0.00 3.63 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 68 Y 8.41 4.20 0.00 3.16 3.30 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 69 D 7.05 4.44 0.00 2.41 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 70 D 8.17 4.52 0.00 2.79 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 I 7.44 3.67 2.03 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.61 0.94 0.00 0.00 *73 D 8.14 4.59 0.00 2.90 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 I 7.68 3.71 2.01 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 1.52 0.60 0.90 0.00 0.00 75 L 7.93 3.88 0.00 1.70 1.67 1.01 0.76 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 76 V 7.65 3.70 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.99 0.00 0.00 77 D 7.99 4.39 0.00 2.85 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.08 4.32 0.00 1.80 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 2.40 2.43 0.00 79 K 7.99 3.88 0.00 1.91 1.92 0.00 1.86 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.40 7.81 80 V 8.08 3.58 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 0.41 0.00 0.00 0.14 0.00 0.00 81 V 7.21 4.55 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 0.89 0.00 0.00 0.96 0.00 0.00 82 T 8.78 4.14 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 1.27 0.00 0.00 83 E 8.74 3.90 0.00 2.05 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 2.38 2.38 0.00 84 K 7.98 3.99 0.00 2.03 2.06 0.00 1.58 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.54 7.81 85 E 8.35 4.06 0.00 2.23 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 2.37 2.36 0.00 86 G 8.32 3.64 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 0.00 0.00 0.00 87 D 7.90 4.34 0.00 2.81 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 88 E 8.22 3.90 0.00 2.14 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 2.33 2.52 0.00 89 L 8.15 3.91 0.00 1.59 1.57 0.82 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.27 3.92 0.00 1.98 1.86 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.60 7.81 91 K 7.50 4.02 0.00 1.72 1.88 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.59 7.81 92 L 7.71 4.08 0.00 1.69 1.74 0.79 0.91 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 93 I 7.96 3.66 2.04 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.51 1.06 0.00 0.00 94 A 8.01 4.10 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 0.00 0.00 0.00 0.00 0.00 95 Y 8.25 4.07 0.00 3.11 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.10 3.83 0.00 1.93 1.85 0.00 2.54 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 97 K 8.04 3.91 0.00 1.91 1.76 0.00 1.78 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.68 7.81 98 T 7.52 3.67 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 0.88 0.00 0.00 99 L 7.53 4.06 0.00 1.76 1.69 1.11 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 100 V 7.81 4.17 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 0.53 0.00 0.00 0.94 0.00 0.00 101 Q 8.02 4.52 0.00 2.02 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.49 0.00 0.00 0.00 0.00 0.00 2.19 2.41 0.00 102 Q 8.08 4.38 0.00 1.99 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.59 0.00 0.00 0.00 0.00 0.00 2.18 2.18 0.00 103 Y 6.74 4.66 0.00 3.20 3.39 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 0.00 104 L 7.35 4.08 0.00 1.53 1.74 0.89 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.63 4.32 0.00 1.64 1.67 0.85 0.62 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 0.00 106 A 7.50 4.06 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 0.00 107 D 9.14 4.76 0.00 2.78 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 0.00 108 S 8.77 4.32 0.00 3.98 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 0.00 109 G 8.20 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 E 8.25 3.89 0.00 2.26 2.24 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 2.19 2.33 0.00 111 L 7.78 3.38 0.00 1.36 1.65 0.54 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 112 Y 8.18 3.97 0.00 3.12 3.13 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 0.00 113 R 8.10 3.93 0.00 2.07 1.97 0.00 3.22 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.95 0.00 114 L 7.56 3.79 0.00 1.58 1.61 0.92 0.75 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 0.00 115 I 7.46 3.48 0.88 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.86 -0.59 0.00 0.00 116 K 7.90 3.84 0.00 1.54 1.66 0.00 1.64 0.00 0.00 1.39 0.00 0.00 3.09 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.49 7.81 117 A 7.81 4.02 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 H 7.35 5.18 0.00 3.07 3.20 0.00 5.64 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 0.00 119 Q 8.00 3.90 0.00 2.36 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.81 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 120 T 7.90 4.02 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 1.24 0.00 0.00 121 A 8.03 4.07 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 0.00 122 L 7.90 4.11 0.00 1.83 1.82 0.71 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 123 Q 8.33 4.29 0.00 2.21 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.02 0.00 0.00 0.00 0.00 0.00 2.45 2.66 0.00 124 D 8.46 4.58 0.00 2.82 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 F 7.98 4.09 0.00 3.18 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 P 0.00 4.01 0.00 2.34 2.13 0.00 3.90 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 127 K 7.99 3.90 0.00 1.95 1.85 0.00 1.71 0.00 0.00 2.00 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.57 7.81 128 R 7.95 3.85 0.00 1.73 2.08 0.00 3.41 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.81 0.00 129 I 7.29 3.47 1.65 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.08 0.78 0.00 0.00 130 R 8.11 3.90 0.00 1.80 1.96 0.00 3.12 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 131 S 8.27 4.09 0.00 3.85 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 Y 7.95 3.72 0.00 3.10 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 0.00 133 L 8.21 4.17 0.00 1.94 1.77 0.94 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 134 E 8.39 4.37 0.00 2.14 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 0.00 2.32 2.27 0.00 135 T 7.93 3.79 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 1.05 0.00 0.00 136 E 7.99 4.24 0.00 1.90 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 1.47 1.47 0.00 137 L 8.40 4.56 0.00 1.70 1.81 1.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 138 G 8.05 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 0.00 0.00 0.00 139 P 0.00 4.42 0.00 2.18 2.18 0.00 3.70 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 140 V 7.62 4.13 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 0.92 0.00 0.00 141 S 7.80 4.45 0.00 3.83 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 0.00 142 A 7.89 4.05 0.73 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 0.00 0.00 143 F 7.57 5.56 0.00 2.93 2.47 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 * Residues marked with a * may have inaccurate shift predictions.