NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4483 8.3349 115.2970 58.2137 62.6725 172.9784 5 F 4.8648 8.5177 126.6768 53.5361 40.5086 173.7182 6 P 5.0027 0.0000 0.0000 62.6366 32.7755 176.0802 7 T 4.5420 8.4847 110.8715 62.3217 70.3724 174.1167 8 R 5.0824 7.7125 122.4879 53.3407 33.9015 173.7106 9 V 4.4707 8.3801 124.7654 61.1603 34.8700 173.5028 10 Y 5.0781 8.3802 124.6824 56.1241 41.0848 174.6632 11 L 4.7346 8.9264 123.1481 52.8346 45.2820 175.1853 12 L 5.1871 8.6921 126.9254 53.0504 44.2477 175.4004 13 R 4.6551 8.8823 127.4817 55.7547 31.5071 175.3890 14 H 4.2396 8.4180 120.4014 55.8578 29.5179 174.5301 15 A 4.4327 8.7306 121.9502 51.6941 18.7852 177.4678 16 K 4.0540 8.8036 120.4676 57.1322 33.4463 175.5217 17 A 4.7544 8.3859 126.6379 49.9816 22.1295 176.2740 18 A 3.8464 8.7769 121.3229 55.4318 18.0825 178.5406 *26 D 4.5692 7.2232 114.5436 53.4454 43.7930 176.6689 27 F 3.5277 8.3713 119.4953 61.4951 39.6614 177.2550 28 D 4.4542 8.0352 116.6559 55.2161 41.0293 176.2860 29 R 4.0306 7.7906 117.8748 56.1699 30.1319 176.9076 30 G 4.0754 8.4479 111.9240 44.3310 0.0000 172.0312 31 L 4.6056 8.4495 120.0260 54.5187 42.5490 178.5204 32 N 4.8512 8.4949 120.2137 52.3004 40.2479 175.5405 33 E 4.1445 8.7235 118.1280 59.4627 29.1206 178.8729 34 A 4.2330 7.7413 121.6181 54.8161 18.3352 179.6933 35 G 3.7372 8.1257 105.1295 46.5358 0.0000 175.9106 36 F 3.9349 8.3689 119.7413 60.5948 39.0400 177.6894 37 A 4.3287 7.6889 116.5396 54.8714 18.1188 179.6224 38 E 3.9332 8.0018 116.2109 59.3532 29.5871 178.7980 39 A 4.0135 8.0767 120.8430 55.4370 18.5609 178.9126 40 E 3.7939 8.6659 117.5449 59.9007 29.5607 179.0290 41 I 3.5942 8.1953 119.5754 64.5668 37.1410 178.0918 42 I 3.6254 7.8970 119.9891 64.7889 36.8326 178.3556 43 A 2.5800 7.4885 120.1753 54.5424 18.3172 179.2003 44 D 4.1181 7.5123 116.8999 57.4841 40.8313 178.8212 45 L 4.0046 7.9167 119.1263 57.9523 41.6299 179.4852 46 A 4.1307 8.1096 120.3855 55.1384 18.0607 179.1512 47 A 4.1052 7.4813 117.4348 54.1334 18.7069 178.9480 48 D 4.3777 7.6905 116.4631 56.3370 41.2647 177.7875 49 R 4.0899 7.2239 115.8705 54.6833 30.8871 176.1689 50 R 3.9411 7.7030 116.4667 57.5858 28.0243 177.3313 51 Y 4.9808 8.0422 114.1643 56.4789 36.2746 175.8025 52 R 3.7484 7.6409 119.5829 53.3185 30.3647 173.7833 53 P 4.7502 0.0000 0.0000 62.0310 32.1484 176.5908 54 D 4.5485 8.4248 120.4262 56.6953 41.6413 176.7472 55 L 4.7926 7.6502 119.9733 53.3814 45.8708 174.8488 56 I 4.3944 8.7730 127.5727 59.6453 39.3300 174.4380 57 L 4.7916 8.1607 127.0927 53.2566 43.6907 175.4528 58 S 4.8769 8.2485 117.6485 55.9548 65.6404 173.2172 59 S 4.9562 9.0400 122.1407 58.4660 62.8366 174.3138 60 T 4.2997 8.8748 112.7228 61.9476 69.6839 174.7653 61 A 2.7646 8.0371 125.3480 51.4637 20.2818 178.2271 62 A 3.6788 7.6251 124.5617 55.0911 18.4502 180.8357 63 R 3.7571 7.6626 114.1470 59.5676 29.5980 178.7097 64 C 4.0716 7.8429 117.0035 62.4568 28.1027 175.9065 65 R 4.0420 8.4371 119.8928 59.7476 29.4938 179.2615 66 Q 4.0386 8.2433 116.2722 58.9219 28.9196 178.4837 67 T 4.0414 8.0658 117.2615 66.8246 68.4130 176.7872 68 T 4.1552 7.8174 117.3338 66.5184 68.6816 176.9377 69 Q 4.4000 8.3646 121.3493 58.2859 28.7560 178.7158 70 A 4.1688 7.8839 120.5538 55.1127 18.3919 179.7659 71 W 4.1380 8.6591 117.4670 59.9809 28.9057 178.8085 72 Q 4.2323 8.1212 116.8550 58.8170 27.8746 178.7338 73 R 4.2034 7.7981 117.2452 57.7532 30.4030 177.6934 74 A 4.2284 7.5300 118.4886 52.0117 19.9737 177.0928 75 F 4.6525 8.2565 115.6207 57.5122 39.2885 177.2710 *78 G 3.8191 8.8003 118.9244 45.6608 0.0000 171.8864 79 I 4.0634 7.6573 113.9582 59.7892 38.2986 175.4830 80 D 4.3947 8.7387 126.8049 55.2005 41.8279 176.3443 81 I 4.8477 8.2510 122.9653 59.8391 40.8161 174.8899 82 V 4.3953 8.2193 120.5080 59.5517 35.0019 174.3879 83 Y 5.0822 8.5522 121.5371 56.5870 39.6304 175.5270 84 I 4.4389 8.9955 124.1582 59.5396 39.8072 175.7643 85 D 4.7730 8.9038 127.2476 56.7411 41.5651 177.9425 86 E 4.2365 7.9784 120.4099 55.9251 28.0789 176.0665 *88 Y 4.5379 7.5323 118.2512 58.8717 40.3866 174.1189 89 N 3.6835 8.0286 122.1426 54.4659 36.8400 173.0835 90 A 4.4885 7.6617 121.5848 51.0491 19.6392 178.3218 91 R 4.1328 8.3297 115.6390 57.5416 30.3178 177.0621 92 S 4.4780 7.6089 115.1403 57.2579 64.0722 173.6881 93 E 3.9654 8.7987 125.2647 58.9210 29.6245 176.5999 94 T 4.5220 7.2197 111.8365 62.0643 72.4938 172.8382 95 Y 4.6752 8.4000 119.3144 58.2331 38.3520 177.6917 96 L 3.9792 8.1291 122.6000 58.5561 41.6452 179.6612 97 S 4.2972 8.0563 113.6449 61.0333 62.6578 176.4033 98 L 4.0294 7.5057 121.4985 57.8353 41.5061 179.3400 99 I 3.8152 7.5625 119.0535 64.3783 37.0990 178.1845 100 A 4.0794 7.9349 120.5474 54.9921 18.3541 178.9867 101 A 4.2413 7.9342 117.6152 53.3071 19.8415 178.4277 102 Q 4.3477 8.0569 119.0620 55.0769 27.2380 176.1445 103 T 4.5011 7.9023 113.2081 63.9414 69.1463 175.1993 104 E 4.6669 8.1548 119.4615 55.7220 30.7459 175.2179 105 V 4.4756 7.6932 120.0962 61.1029 33.5047 176.2973 106 Q 3.3550 8.8691 128.5289 58.1487 30.2053 175.5774 107 S 5.2141 8.7500 112.8762 56.6854 66.9466 174.0557 108 V 5.0872 7.8319 120.4545 59.1808 35.2426 173.4058 *110 L 4.3355 8.3061 118.2806 55.0097 43.3160 176.3368 111 V 4.7779 7.8582 124.3770 60.9349 31.9480 173.4062 112 G 3.9472 8.0168 120.5437 45.8957 0.0000 169.9472 113 H 5.1472 9.0770 118.9983 53.9037 31.9325 173.2822 114 N 4.9683 8.4575 118.5367 52.0279 39.5250 174.1586 115 P 4.4211 0.0000 0.0000 65.0677 31.9472 178.6879 116 T 4.3756 7.1149 114.6311 63.6081 67.7045 175.8136 *118 E 4.2361 8.3811 124.0621 56.2587 31.3563 177.7231 119 A 4.0110 7.9791 120.2406 55.0635 18.0146 179.8860 120 T 3.7525 7.8473 114.3286 66.5173 68.6108 176.2777 121 L 4.0937 7.7922 120.5294 58.2729 42.4141 178.0733 122 E 4.1383 8.2583 118.8580 59.1559 29.2717 179.2364 123 A 4.2038 7.4047 116.4047 52.8070 18.3026 178.2055 *125 I 4.0776 7.8202 115.8804 60.9833 39.7649 176.5081 126 G 4.1156 8.3378 108.3976 44.8011 0.0000 174.4928 127 E 3.9487 8.8807 119.1928 59.5123 29.8476 178.9905 128 D 4.2421 8.1467 119.7134 57.0228 40.9634 178.5692 129 L 3.9950 7.8553 120.2749 57.8587 42.2174 178.5995 130 L 3.9330 8.1467 120.5704 58.3088 41.8264 178.4536 131 H 4.0565 8.7360 117.6676 59.0239 29.8739 176.9298 132 A 4.1040 7.7756 121.2537 55.1879 18.3813 179.2289 133 A 4.2020 7.6321 117.3861 53.6630 19.0578 177.7249 134 L 4.3237 7.5660 119.4819 51.8000 41.9081 175.4640 135 P 4.3629 0.0000 0.0000 65.0536 31.5816 179.4370 136 S 4.6031 7.9928 110.8964 57.5728 63.3979 174.9402 137 G 4.0484 7.5031 103.3489 47.0634 0.0000 173.4927 138 F 3.7576 8.7366 120.8144 57.8924 39.4595 173.2456 139 P 4.7561 0.0000 0.0000 61.4398 32.6659 175.3988 140 T 4.0705 8.1650 109.2718 63.0950 68.9457 174.6530 141 S 4.2059 8.2748 117.4827 58.5925 62.4820 170.3004 142 G 3.7818 7.9962 107.3588 46.8000 0.0000 172.5083 143 L 5.1860 8.6241 126.7330 53.0001 44.6156 174.7238 144 A 4.7514 9.0994 128.5451 50.1147 21.9548 175.5124 145 V 4.4250 8.4569 120.8660 61.0822 34.4129 174.2575 146 L 5.4615 8.6173 128.0283 53.2011 44.6964 175.5566 147 D 5.7370 9.0721 121.8120 51.1820 45.0691 175.4781 148 Q 3.5140 8.5131 119.3646 56.9025 28.9880 175.1093 149 D 4.1155 8.8334 122.8523 56.1650 41.0545 176.0070 *157 N 4.3721 8.0502 118.4919 54.0511 40.5733 173.5680 158 R 4.2552 7.7019 124.0519 55.3562 33.8607 172.9886 159 W 4.9776 8.5558 121.5156 56.3580 30.2248 176.2707 160 R 4.6904 9.4604 123.6562 54.4815 33.1771 173.5939 161 L 4.7540 8.7815 128.6541 55.1152 42.1475 175.9866 162 I 4.5857 9.3100 127.2104 61.5009 39.7775 174.8984 163 D 4.8660 7.8298 119.9387 53.1234 45.0656 173.5900 164 F 5.0482 8.6296 123.6783 56.6774 42.4559 173.2376 165 L 4.8020 8.6172 126.4851 52.9461 43.7503 176.8465 166 A 4.3760 8.5910 125.5802 52.3291 19.2852 175.5575 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 4 S 8.33 4.45 0.00 3.86 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 5 F 8.52 4.86 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 6 P 0.00 5.00 0.00 2.21 2.06 0.00 3.28 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 7 T 8.48 4.54 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 1.22 0.00 0.00 8 R 7.71 5.08 0.00 1.92 1.61 0.00 2.64 0.00 0.00 2.65 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.73 0.00 9 V 8.38 4.47 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.40 0.00 0.00 10 Y 8.38 5.08 0.00 2.84 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 11 L 8.93 4.73 0.00 1.69 1.43 0.88 0.36 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 12 L 8.69 5.19 0.00 1.47 1.32 1.11 0.49 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 13 R 8.88 4.66 0.00 2.09 2.14 0.00 3.30 0.00 0.00 3.51 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.50 0.00 14 H 8.42 4.24 0.00 3.25 3.40 0.00 5.32 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 15 A 8.73 4.43 1.25 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 0.00 0.00 0.00 16 K 8.80 4.05 0.00 1.89 1.73 0.00 1.69 0.00 0.00 1.85 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.51 7.81 17 A 8.39 4.75 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 18 A 8.78 3.85 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 *26 D 7.22 4.57 0.00 2.90 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 27 F 8.37 3.53 0.00 2.67 2.92 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 28 D 8.04 4.45 0.00 2.71 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 29 R 7.79 4.03 0.00 1.83 2.15 0.00 3.22 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 30 G 8.45 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.45 4.61 0.00 0.93 1.37 0.21 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 32 N 8.49 4.85 0.00 3.04 3.03 0.00 0.00 6.20 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 33 E 8.72 4.14 0.00 2.07 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 2.39 2.40 0.00 34 A 7.74 4.23 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.13 3.74 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 36 F 8.37 3.93 0.00 3.08 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 37 A 7.69 4.33 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 38 E 8.00 3.93 0.00 2.28 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 39 A 8.08 4.01 1.45 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 0.00 0.00 40 E 8.67 3.79 0.00 2.02 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 0.00 2.29 2.33 0.00 41 I 8.20 3.59 2.06 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.25 0.89 0.00 0.00 42 I 7.90 3.63 1.97 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 1.77 1.09 1.13 0.00 0.00 43 A 7.49 2.58 0.53 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 0.00 0.00 44 D 7.51 4.12 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 45 L 7.92 4.00 0.00 1.79 1.71 0.87 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.11 4.13 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 47 A 7.48 4.11 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 D 7.69 4.38 0.00 2.71 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 R 7.22 4.09 0.00 1.05 0.81 0.00 3.16 0.00 0.00 3.10 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.46 0.00 50 R 7.70 3.94 0.00 1.93 2.05 0.00 3.51 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 51 Y 8.04 4.98 0.00 3.12 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 52 R 7.64 3.75 0.00 1.74 1.83 0.00 3.28 0.00 0.00 3.25 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.04 0.00 53 P 0.00 4.75 0.00 2.31 2.09 0.00 2.92 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.54 0.00 54 D 8.42 4.55 0.00 2.74 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 55 L 7.65 4.79 0.00 1.67 1.39 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.77 4.39 1.66 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.38 0.61 0.00 0.00 57 L 8.16 4.79 0.00 1.39 1.41 0.84 0.63 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 58 S 8.25 4.88 0.00 3.58 3.25 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 0.00 59 S 9.04 4.96 0.00 4.08 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 60 T 8.87 4.30 4.43 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 1.42 0.00 0.00 61 A 8.04 2.76 1.04 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 62 A 7.63 3.68 1.18 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 0.00 0.00 63 R 7.66 3.76 0.00 1.98 2.23 0.00 2.79 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 64 C 7.84 4.07 0.00 3.14 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 R 8.44 4.04 0.00 1.82 1.87 0.00 2.86 0.00 0.00 2.77 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.76 0.00 66 Q 8.24 4.04 0.00 1.71 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.98 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 67 T 8.07 4.04 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 68 T 7.82 4.16 4.61 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 69 Q 8.36 4.40 0.00 2.29 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 70 A 7.88 4.17 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 71 W 8.66 4.14 0.00 3.62 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.12 4.23 0.00 2.50 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 73 R 7.80 4.20 0.00 1.95 1.95 0.00 3.19 0.00 0.00 3.24 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 74 A 7.53 4.23 0.75 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 75 F 8.26 4.65 0.00 3.12 2.37 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 *78 G 8.80 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 79 I 7.66 4.06 1.79 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.94 0.83 0.00 0.00 80 D 8.74 4.39 0.00 2.81 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 81 I 8.25 4.85 1.81 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 1.21 0.85 0.55 0.00 0.00 82 V 8.22 4.40 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 0.80 0.00 0.00 0.81 0.00 0.00 83 Y 8.55 5.08 0.00 2.88 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 84 I 9.00 4.44 1.88 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 1.12 1.07 0.98 0.00 0.00 85 D 8.90 4.77 0.00 2.68 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 86 E 7.98 4.24 0.00 2.12 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 2.43 2.33 0.00 *88 Y 7.53 4.54 0.00 3.15 3.26 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 89 N 8.03 3.68 0.00 2.08 2.39 0.00 0.00 7.15 7.96 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 90 A 7.66 4.49 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 91 R 8.33 4.13 0.00 1.91 2.05 0.00 3.02 0.00 0.00 3.33 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 92 S 7.61 4.48 0.00 3.78 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 93 E 8.80 3.97 0.00 1.94 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 2.31 2.28 0.00 94 T 7.22 4.52 4.17 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 1.20 0.00 0.00 95 Y 8.40 4.68 0.00 2.92 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 96 L 8.13 3.98 0.00 1.64 1.77 0.96 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 97 S 8.06 4.30 0.00 3.89 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 98 L 7.51 4.03 0.00 1.79 1.70 0.90 0.82 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 99 I 7.56 3.82 2.02 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.33 0.92 0.00 0.00 100 A 7.93 4.08 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 0.00 101 A 7.93 4.24 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 0.00 102 Q 8.06 4.35 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.86 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 103 T 7.90 4.50 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 1.21 0.00 0.00 104 E 8.15 4.67 0.00 1.94 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 2.19 2.19 0.00 105 V 7.69 4.48 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.96 0.00 0.00 106 Q 8.87 3.36 0.00 1.65 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.64 0.00 0.00 0.00 0.00 0.00 2.09 1.48 0.00 107 S 8.75 5.21 0.00 3.87 3.83 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 0.00 108 V 7.83 5.09 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 1.09 0.00 0.00 0.84 0.00 0.00 *110 L 8.31 4.34 0.00 1.28 1.18 0.75 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.86 4.78 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 0.84 0.00 0.00 0.59 0.00 0.00 112 G 8.02 3.95 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 0.00 113 H 9.08 5.15 0.00 3.25 3.23 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 N 8.46 4.97 0.00 2.75 2.75 0.00 0.00 6.97 8.02 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 0.00 115 P 0.00 4.42 0.00 2.16 2.26 0.00 3.62 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 1.98 1.92 0.00 116 T 7.11 4.38 3.65 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 0.36 0.00 0.00 *118 E 8.38 4.24 0.00 2.16 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 2.38 2.58 0.00 119 A 7.98 4.01 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 0.00 120 T 7.85 3.75 4.20 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 1.16 0.00 0.00 121 L 7.79 4.09 0.00 1.80 1.83 1.09 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.26 4.14 0.00 2.27 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 2.32 2.35 0.00 123 A 7.40 4.20 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 *125 I 7.82 4.08 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 1.57 0.68 1.00 0.00 0.00 126 G 8.34 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 0.00 0.00 0.00 127 E 8.88 3.95 0.00 2.23 2.40 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 2.37 2.41 0.00 128 D 8.15 4.24 0.00 2.71 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 0.00 129 L 7.86 4.00 0.00 1.69 1.80 0.94 0.56 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 0.00 130 L 8.15 3.93 0.00 1.88 1.95 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 131 H 8.74 4.06 0.00 3.31 3.27 0.00 5.81 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 A 7.78 4.10 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 0.00 133 A 7.63 4.20 1.23 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 0.00 0.00 134 L 7.57 4.32 0.00 1.74 1.40 0.53 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 135 P 0.00 4.36 0.00 1.99 2.09 0.00 3.52 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 1.98 2.04 0.00 136 S 7.99 4.60 0.00 3.93 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 0.00 137 G 7.50 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 0.00 138 F 8.74 3.76 0.00 3.08 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 P 0.00 4.76 0.00 2.32 2.19 0.00 3.53 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.97 0.00 140 T 8.17 4.07 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 1.23 0.00 0.00 141 S 8.27 4.21 0.00 4.09 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 0.00 142 G 8.00 3.78 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 0.00 0.00 0.00 143 L 8.62 5.19 0.00 1.76 1.40 1.02 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 144 A 9.10 4.75 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 V 8.46 4.43 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 0.65 0.00 0.00 0.48 0.00 0.00 146 L 8.62 5.46 0.00 1.37 1.62 0.81 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 147 D 9.07 5.74 0.00 2.58 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 0.00 148 Q 8.51 3.51 0.00 1.70 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 7.15 0.00 0.00 0.00 0.00 0.00 1.24 2.29 0.00 149 D 8.83 4.12 0.00 2.56 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 *157 N 8.05 4.37 0.00 2.67 2.67 0.00 0.00 6.69 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 0.00 158 R 7.70 4.26 0.00 1.82 1.63 0.00 3.23 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 159 W 8.56 4.98 0.00 3.28 3.12 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 0.00 160 R 9.46 4.69 0.00 2.10 1.87 0.00 3.11 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 161 L 8.78 4.75 0.00 1.75 1.62 1.14 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 162 I 9.31 4.59 1.91 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 1.16 0.99 0.98 0.00 0.00 163 D 7.83 4.87 0.00 2.91 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 0.00 164 F 8.63 5.05 0.00 3.00 2.81 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 0.00 165 L 8.62 4.80 0.00 1.62 1.60 1.15 1.08 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 0.00 166 A 8.59 4.38 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 * Residues marked with a * may have inaccurate shift predictions.