NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 4.5026 8.4444 120.3927 55.8810 30.7636 175.7348 *2 D 4.4100 8.9259 115.4223 53.5576 42.5009 174.6908 3 A 4.1386 8.8995 130.3339 56.1847 18.2593 180.5269 4 L 4.1656 8.2170 123.1292 59.9689 41.0324 181.8270 5 E 4.2248 7.9602 118.9195 61.4658 29.6547 181.8809 6 I 4.0431 7.7793 120.6756 63.7799 37.2445 178.0556 7 F 4.1848 8.1830 121.1894 61.3245 39.2468 176.8295 8 K 3.9008 8.4928 119.4031 60.2558 32.0592 178.8203 9 T 4.0585 8.0941 117.6754 66.9540 68.2581 177.4639 10 L 4.0864 8.5212 124.8752 59.4777 40.7853 181.7548 11 F 4.3537 8.8325 120.9116 61.2867 39.4589 176.7708 12 S 4.2638 8.1924 113.5132 61.6328 62.9491 176.3512 13 L 3.8697 7.7458 122.1393 57.9522 41.7520 180.5618 14 V 3.9906 7.7724 119.3826 64.0367 31.5332 178.4483 *16 R 4.0906 7.9710 116.3301 55.6258 31.6631 180.6852 17 F 4.7371 8.1397 118.1499 60.3094 38.5969 177.5517 18 S 4.1545 9.0515 114.5025 61.4914 61.9559 176.0826 19 S 4.2706 7.4467 113.9694 60.0110 63.3745 174.6895 20 Y 5.0048 7.7922 119.8334 56.9047 38.1431 174.3099 21 L 4.6343 7.3298 122.2478 52.1571 43.1015 174.0345 22 P 4.2615 0.0000 0.0000 62.9785 31.7329 176.7626 23 S 4.5220 8.3437 116.3811 58.0859 64.0957 172.9217 24 N 4.7346 8.2527 119.3001 53.2393 41.3707 175.5480 25 E 4.1023 8.8609 122.1015 58.7607 30.7489 175.6424 26 E 4.2205 8.7291 120.1940 60.4546 29.4230 179.6641 27 I 3.7639 7.7831 118.3771 65.3656 35.5095 179.7120 28 S 4.4974 7.6811 114.0029 60.2380 64.1766 174.4963 29 D 4.4987 7.6041 123.8585 53.0260 40.0543 175.8148 *31 K 4.2021 7.4200 120.5290 56.0211 35.2297 176.7418 32 T 3.9398 8.3349 112.0683 65.6127 68.6141 176.5946 33 T 4.2652 7.9612 112.1393 63.6483 69.0850 176.4312 34 E 4.0536 8.2835 121.4630 59.4864 29.5357 178.7849 35 L 4.1600 8.2070 120.2756 58.2802 42.1543 178.3858 36 Y 4.4800 8.3308 119.2794 60.9048 38.8976 177.8960 37 A 4.0616 8.4981 121.8139 54.8947 18.4457 179.3666 38 F 4.0779 8.5442 119.2518 61.6053 39.4748 177.3948 39 L 3.6987 8.3073 118.7272 57.6307 41.3550 178.7052 40 Y 4.1957 7.8705 119.4837 60.9315 38.5909 178.6735 41 V 3.6621 7.6137 119.8139 65.2834 31.3561 177.8467 42 A 3.2882 7.4146 119.9776 54.4369 17.9894 179.0730 43 L 3.7025 7.6647 116.9486 56.0865 42.0291 177.8768 44 F 4.5125 7.7644 114.0342 56.7396 39.8462 175.7515 45 G 3.7566 7.7508 108.5902 43.4394 0.0000 171.0265 46 P 5.1872 0.0000 0.0000 62.4145 31.7428 176.5758 47 K 4.7792 8.2877 121.6698 53.4974 36.3279 176.9328 48 K 4.6420 8.9226 126.5613 56.3242 34.0396 179.6350 *50 K 4.2140 8.8927 123.9591 57.6244 34.0140 177.7401 51 E 4.0048 7.9865 117.6608 59.5399 29.2384 179.3749 52 I 4.0129 7.8872 119.3684 64.0162 37.2336 178.0813 53 A 4.0099 8.0192 121.2327 55.2725 18.1170 178.9677 54 E 3.8806 8.2288 116.0078 59.9001 29.7310 179.4775 55 F 4.1276 7.9809 119.0586 60.6758 39.3561 175.7881 56 L 3.7676 8.2422 118.8178 56.4041 42.5609 177.4194 57 S 3.5669 7.1941 111.8094 59.9986 62.0584 171.6412 58 T 4.6680 7.5230 116.3566 60.0867 72.6139 175.2628 59 T 4.4000 8.1673 115.1762 63.1263 68.5620 176.3869 60 K 4.1101 8.7424 131.3093 60.5765 31.9543 179.2322 61 S 4.4865 8.1435 119.7123 63.6045 62.2133 177.9636 62 N 4.6144 8.1239 119.8476 56.1065 38.6759 177.1529 63 V 3.6906 7.7604 119.9350 66.1559 31.6290 178.1115 64 T 4.0058 7.9638 109.6408 64.6716 68.5031 176.4780 65 N 4.3085 8.1128 118.9231 56.1478 38.6488 177.1909 66 V 3.6193 7.8624 119.6078 66.1234 31.6096 178.2927 67 V 3.6297 8.2532 118.2161 66.1694 31.4346 177.5318 68 D 4.4601 8.6526 119.0218 57.5999 40.7205 179.0071 69 S 4.1134 8.3939 113.6192 61.3883 62.5080 176.1663 70 L 4.0371 8.2570 121.9708 57.7749 41.3427 179.1731 71 E 4.2685 8.9564 121.4189 58.3622 29.3936 178.5805 72 K 4.2120 7.8755 117.2933 58.7847 33.1109 178.4618 73 R 4.2434 7.7361 117.4869 56.3251 30.1870 176.9532 74 G 3.9085 7.7553 106.9385 46.0784 0.0000 174.5229 75 L 4.4039 7.9048 121.7012 55.7782 42.2870 176.6859 76 V 5.2680 7.3737 109.9637 60.1171 36.7675 174.4328 77 V 4.4811 8.6730 119.6132 60.8077 34.9621 173.3061 78 R 4.9116 8.4874 121.4429 55.3511 31.2188 175.4563 79 E 4.5283 9.0904 125.8210 55.3780 34.0708 174.1252 *81 D 4.6653 8.6459 121.6824 54.2683 42.4687 175.0172 82 P 4.2069 0.0000 0.0000 66.0760 31.5799 177.9791 83 V 3.6890 7.9512 117.3820 65.5000 31.9614 176.3464 84 D 4.3397 9.0861 119.5936 57.3203 41.0411 178.5601 85 R 4.1872 8.3772 118.7723 57.2770 30.6169 177.1820 86 R 4.8024 7.8804 113.4728 55.9078 31.1070 180.0052 87 T 5.0099 7.9287 113.7949 62.7919 72.0624 172.9160 88 Y 5.2253 8.3224 121.4049 55.5431 41.3085 174.6286 89 R 4.8432 8.9427 118.6660 54.3922 35.4771 174.4260 90 V 4.3341 8.7826 122.3854 63.0255 32.6562 175.5005 91 V 4.7852 8.6899 120.3990 59.1189 35.8732 175.2908 92 L 4.5571 8.3424 122.4670 54.8089 42.4874 178.2764 93 T 4.3216 8.3929 113.5761 60.8772 71.5575 175.2049 94 E 3.9429 8.6158 119.9871 59.5689 29.5898 178.6301 95 K 4.1648 8.1499 119.2415 59.0313 32.2229 178.9774 96 G 3.8091 8.0925 106.4095 47.9414 0.0000 175.8891 97 K 4.1987 8.2390 123.6691 59.7080 31.9919 180.0388 98 E 4.0774 8.2330 118.6364 61.1199 29.7035 181.9096 99 I 3.9905 8.0026 121.0023 64.2296 37.1631 178.3511 100 F 4.6326 8.9349 121.9414 61.2649 39.2152 177.3499 101 G 3.5351 8.3838 105.4998 47.8143 0.0000 175.5136 102 E 3.9898 8.2031 120.9551 59.1605 29.4538 179.5761 103 I 3.7184 7.7347 119.8515 64.2945 37.2050 178.2620 104 L 3.7560 7.8084 121.6183 58.0185 41.7820 178.9684 105 S 4.0643 8.0699 113.1515 61.4454 62.3284 175.9383 106 N 4.3703 8.4137 119.4131 56.1316 38.1888 177.2257 107 F 4.0731 8.4176 122.2160 61.1364 39.4142 176.7485 108 E 3.7727 8.3998 119.0023 59.2081 29.4041 178.4515 109 S 3.9827 7.8870 113.1416 61.4880 62.3149 175.8298 110 L 4.0350 7.7668 124.0076 57.3644 41.6530 178.6275 111 L 3.6196 7.6924 122.6031 58.5073 41.9222 179.6555 112 K 3.7974 8.0481 123.7582 60.0245 31.4409 180.6869 113 S 4.0596 7.6529 115.3212 61.4152 62.9842 177.0558 114 V 3.2468 7.6303 120.7465 65.8755 31.3158 178.1887 115 L 3.7039 7.8127 118.9803 57.5592 41.1940 179.1117 116 E 4.0609 7.9978 117.2982 58.0467 29.4042 177.6785 117 K 4.3884 7.4312 116.7622 55.9489 32.8537 175.9053 118 F 5.3615 7.5996 118.9768 55.8501 40.7120 176.6765 119 S 4.5948 9.2369 121.2061 57.5824 65.5029 175.2458 120 E 4.0884 8.6359 120.4269 59.4967 28.9334 179.4191 121 E 3.9816 8.1682 118.1464 59.5293 29.5850 178.8207 122 D 4.2401 8.2283 118.8977 57.4259 40.8501 178.6955 123 F 3.7362 8.2619 120.9188 61.0356 39.3448 177.3203 124 K 3.8712 8.1825 118.0472 59.3886 32.0364 179.4728 125 V 3.4823 7.3532 118.4429 65.9267 31.3763 178.2081 126 V 3.4477 7.5676 118.2374 66.0384 31.3100 178.1656 127 S 4.0503 7.6722 113.9252 61.0091 62.8465 176.0774 128 E 4.0289 8.1278 122.5521 59.2839 28.9746 179.5726 129 G 3.5621 7.6923 104.0529 47.6334 0.0000 175.1325 130 F 4.2696 8.2521 122.4803 61.1092 39.7387 176.4853 131 N 4.4494 8.5950 116.3604 56.2720 38.2842 178.5122 132 R 4.0312 7.8833 117.5759 56.7471 29.7507 178.2667 *134 V 3.8028 7.7510 118.0240 62.4217 33.4781 177.2145 135 E 3.8320 8.5822 119.2123 59.4368 29.6054 179.1729 136 A 3.9725 8.2417 121.8103 55.2713 18.4318 179.2107 137 L 4.2027 7.3162 113.1644 56.4121 41.7427 177.7920 138 S 4.5999 7.5784 113.6584 58.1653 63.1071 175.3962 139 R 3.8942 7.0747 120.4234 58.9812 30.3709 176.5247 140 E 4.1182 7.9591 121.1363 56.8402 29.3886 176.9335 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 0 H 8.44 4.50 0.00 3.15 2.67 0.00 5.73 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 D 8.93 4.41 0.00 2.87 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.90 4.14 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.22 4.17 0.00 1.62 1.69 0.92 1.20 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 5 E 7.96 4.22 0.00 1.94 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 2.25 2.23 0.00 6 I 7.78 4.04 1.93 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 1.56 0.39 0.95 0.00 0.00 7 F 8.18 4.18 0.00 3.29 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 8 K 8.49 3.90 0.00 1.97 2.01 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.49 7.81 9 T 8.09 4.06 4.42 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 0.00 0.00 0.00 1.25 0.00 0.00 10 L 8.52 4.09 0.00 1.62 1.67 0.92 0.80 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 11 F 8.83 4.35 0.00 3.29 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 12 S 8.19 4.26 0.00 3.91 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.75 3.87 0.00 1.93 1.75 0.71 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 14 V 7.77 3.99 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 0.80 0.00 0.00 1.06 0.00 0.00 *16 R 7.97 4.09 0.00 1.80 1.96 0.00 3.31 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.23 0.00 17 F 8.14 4.74 0.00 3.20 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 18 S 9.05 4.15 0.00 3.72 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 19 S 7.45 4.27 0.00 3.82 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 20 Y 7.79 5.00 0.00 3.25 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 21 L 7.33 4.63 0.00 1.70 1.76 1.01 1.32 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 22 P 0.00 4.26 0.00 2.29 2.01 0.00 3.89 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 23 S 8.34 4.52 0.00 3.99 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 24 N 8.25 4.73 0.00 2.80 2.68 0.00 0.00 7.01 7.65 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 25 E 8.86 4.10 0.00 2.03 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 2.23 1.90 0.00 26 E 8.73 4.22 0.00 2.18 1.92 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 2.26 2.31 0.00 27 I 7.78 3.76 1.87 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 1.69 0.62 0.91 0.00 0.00 28 S 7.68 4.50 0.00 4.06 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 29 D 7.60 4.50 0.00 2.68 2.78 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 0.00 0.00 0.00 *31 K 7.42 4.20 0.00 1.91 1.80 0.00 1.77 0.00 0.00 1.90 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.46 1.53 7.81 32 T 8.33 3.94 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 1.25 0.00 0.00 33 T 7.96 4.27 4.39 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 1.27 0.00 0.00 34 E 8.28 4.05 0.00 2.34 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 0.00 2.46 2.43 0.00 35 L 8.21 4.16 0.00 1.88 1.98 1.14 0.85 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 36 Y 8.33 4.48 0.00 3.34 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 37 A 8.50 4.06 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 38 F 8.54 4.08 0.00 3.24 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 39 L 8.31 3.70 0.00 1.85 1.73 1.11 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 40 Y 7.87 4.20 0.00 2.19 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.61 3.66 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 1.16 0.00 0.00 0.74 0.00 0.00 42 A 7.41 3.29 -0.09 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 43 L 7.66 3.70 0.00 1.21 0.67 0.83 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 44 F 7.76 4.51 0.00 2.77 2.77 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 45 G 7.75 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 0.00 0.00 0.00 46 P 0.00 5.19 0.00 1.87 2.02 0.00 3.57 0.00 0.00 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.90 0.00 47 K 8.29 4.78 0.00 1.51 1.58 0.00 1.47 0.00 0.00 1.78 0.00 0.00 2.36 0.00 0.00 2.41 0.00 0.00 0.00 0.00 1.18 0.76 7.81 48 K 8.92 4.64 0.00 1.64 1.24 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.34 7.81 *50 K 8.89 4.21 0.00 1.90 1.88 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.04 7.81 51 E 7.99 4.00 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 2.43 2.41 0.00 52 I 7.89 4.01 1.96 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 1.58 0.97 1.06 0.00 0.00 53 A 8.02 4.01 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.23 3.88 0.00 2.22 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 2.36 2.22 0.00 55 F 7.98 4.13 0.00 2.50 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 56 L 8.24 3.77 0.00 2.02 1.63 1.17 1.09 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 57 S 7.19 3.57 0.00 4.04 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 58 T 7.52 4.67 4.24 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 1.21 0.00 0.00 59 T 8.17 4.40 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 1.25 0.00 0.00 60 K 8.74 4.11 0.00 1.89 1.71 0.00 1.88 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.36 1.07 7.81 61 S 8.14 4.49 0.00 3.72 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 62 N 8.12 4.61 0.00 2.85 2.87 0.00 0.00 6.67 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 63 V 7.76 3.69 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 1.14 0.00 0.00 1.14 0.00 0.00 64 T 7.96 4.01 4.29 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 1.33 0.00 0.00 65 N 8.11 4.31 0.00 2.95 2.94 0.00 0.00 6.78 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 66 V 7.86 3.62 2.16 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 1.24 0.00 0.00 1.09 0.00 0.00 67 V 8.25 3.63 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 1.01 0.00 0.00 1.02 0.00 0.00 68 D 8.65 4.46 0.00 2.89 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 69 S 8.39 4.11 0.00 3.91 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 70 L 8.26 4.04 0.00 1.95 1.79 1.14 1.16 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 71 E 8.96 4.27 0.00 2.15 2.14 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 2.31 2.34 0.00 72 K 7.88 4.21 0.00 1.97 1.93 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.71 1.48 7.81 73 R 7.74 4.24 0.00 1.78 1.97 0.00 3.18 0.00 0.00 3.15 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.89 0.00 74 G 7.76 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 75 L 7.90 4.40 0.00 1.73 1.68 0.45 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 76 V 7.37 5.27 2.25 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 1.06 0.00 0.00 1.00 0.00 0.00 77 V 8.67 4.48 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 0.64 0.00 0.00 0.93 0.00 0.00 78 R 8.49 4.91 0.00 1.55 1.82 0.00 3.23 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 1.78 1.71 0.00 79 E 9.09 4.53 0.00 1.87 1.73 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 2.21 2.22 0.00 *81 D 8.65 4.67 0.00 2.79 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 82 P 0.00 4.21 0.00 2.21 2.17 0.00 3.82 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 83 V 7.95 3.69 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 0.78 0.00 0.00 0.93 0.00 0.00 84 D 9.09 4.34 0.00 2.80 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 85 R 8.38 4.19 0.00 2.25 2.10 0.00 3.37 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.43 0.00 86 R 7.88 4.80 0.00 1.76 1.70 0.00 3.26 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.43 0.00 87 T 7.93 5.01 4.24 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 1.15 0.00 0.00 88 Y 8.32 5.23 0.00 2.90 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 89 R 8.94 4.84 0.00 1.74 1.84 0.00 3.08 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.53 0.00 90 V 8.78 4.33 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 0.97 0.00 0.00 1.00 0.00 0.00 91 V 8.69 4.79 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 0.70 0.00 0.00 0.97 0.00 0.00 92 L 8.34 4.56 0.00 1.56 1.62 0.65 0.59 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 93 T 8.39 4.32 4.27 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 1.23 0.00 0.00 94 E 8.62 3.94 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 2.40 2.39 0.00 95 K 8.15 4.16 0.00 1.88 1.96 0.00 1.78 0.00 0.00 1.98 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.52 7.81 96 G 8.09 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 0.00 0.00 0.00 0.00 97 K 8.24 4.20 0.00 2.09 1.95 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.66 7.81 98 E 8.23 4.08 0.00 2.01 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 0.00 2.24 2.22 0.00 99 I 8.00 3.99 2.08 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 1.63 0.91 0.90 0.00 0.00 100 F 8.93 4.63 0.00 3.13 3.14 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 0.00 101 G 8.38 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 E 8.20 3.99 0.00 2.26 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 103 I 7.73 3.72 2.08 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.93 1.00 0.00 0.00 104 L 7.81 3.76 0.00 0.82 1.36 0.83 0.55 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 0.00 105 S 8.07 4.06 0.00 4.03 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 N 8.41 4.37 0.00 2.97 2.89 0.00 0.00 6.67 7.90 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 0.00 107 F 8.42 4.07 0.00 3.18 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 0.00 108 E 8.40 3.77 0.00 2.24 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 2.25 2.31 0.00 109 S 7.89 3.98 0.00 3.91 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 0.00 110 L 7.77 4.03 0.00 1.75 1.69 1.15 0.07 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 0.00 111 L 7.69 3.62 0.00 1.56 1.52 0.84 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 112 K 8.05 3.80 0.00 1.78 1.80 0.00 1.89 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.38 1.36 7.81 113 S 7.65 4.06 0.00 3.69 3.41 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 0.00 114 V 7.63 3.25 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.89 0.00 0.00 115 L 7.81 3.70 0.00 1.73 1.57 0.81 1.09 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 0.00 116 E 8.00 4.06 0.00 1.92 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 2.26 2.36 0.00 117 K 7.43 4.39 0.00 1.65 1.81 0.00 1.43 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.22 7.81 118 F 7.60 5.36 0.00 3.19 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 0.00 119 S 9.24 4.59 0.00 4.07 4.07 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 0.00 0.00 0.00 120 E 8.64 4.09 0.00 2.16 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 2.40 1.97 0.00 121 E 8.17 3.98 0.00 2.02 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 2.42 2.42 0.00 122 D 8.23 4.24 0.00 2.84 2.36 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 0.00 123 F 8.26 3.74 0.00 3.34 3.28 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 0.00 124 K 8.18 3.87 0.00 2.11 1.82 0.00 1.84 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.46 1.32 7.81 125 V 7.35 3.48 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 0.93 0.00 0.00 0.93 0.00 0.00 126 V 7.57 3.45 1.58 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 0.99 0.00 0.00 0.46 0.00 0.00 127 S 7.67 4.05 0.00 3.79 3.07 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 0.00 0.00 0.00 128 E 8.13 4.03 0.00 2.26 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 129 G 7.69 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.25 4.27 0.00 3.07 3.28 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 0.00 131 N 8.60 4.45 0.00 2.94 2.86 0.00 0.00 6.74 7.20 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 0.00 132 R 7.88 4.03 0.00 1.99 2.02 0.00 3.15 0.00 0.00 3.07 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 *134 V 7.75 3.80 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 0.86 0.00 0.00 0.34 0.00 0.00 135 E 8.58 3.83 0.00 2.08 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 0.00 2.33 2.14 0.00 136 A 8.24 3.97 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 0.00 137 L 7.32 4.20 0.00 1.51 1.70 0.88 0.81 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 0.00 138 S 7.58 4.60 0.00 3.94 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 0.00 139 R 7.07 3.89 0.00 1.86 1.89 0.00 3.16 0.00 0.00 3.26 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 140 E 7.96 4.12 0.00 2.06 1.93 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 2.26 2.30 0.00 * Residues marked with a * may have inaccurate shift predictions.