NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 G 3.9195 8.3549 109.7128 44.6241 0.0000 173.5429 7 E 4.4624 7.6422 116.7189 53.1945 33.6001 173.1400 8 P 4.2050 0.0000 0.0000 62.5220 32.9436 175.8145 9 V 4.4875 7.8144 120.9259 61.1486 34.0576 174.1553 10 Y 4.3832 8.5912 125.1136 57.3574 39.2148 175.6861 11 G 4.3844 9.0589 112.1073 45.5433 0.0000 172.6743 12 L 4.7763 8.0827 121.9416 52.4951 44.0285 176.6840 13 S 4.3938 8.5212 118.6071 58.7619 63.4445 174.1622 14 E 4.3349 8.6999 122.9377 57.2987 30.6874 175.9096 15 D 4.4541 7.6484 118.3114 52.7965 42.9193 175.0706 16 E 4.0325 8.9150 128.9102 58.7122 29.9477 178.0455 17 G 3.8687 8.3534 105.8292 46.2954 0.0000 173.5015 18 E 4.7608 8.3093 117.8945 55.4721 31.8861 175.6625 19 S 5.0406 7.6883 114.0962 57.2524 65.2583 173.6274 20 R 4.8282 9.0976 119.1409 54.8382 35.2591 174.0341 21 I 4.9240 8.4995 121.2086 59.9726 39.3862 174.3222 22 L 4.7691 9.1365 130.3148 53.3016 44.2242 174.8814 23 R 4.4745 8.6437 127.1552 55.0918 31.9575 175.0283 24 V 5.0039 8.9442 126.0359 60.9961 35.1431 173.7152 25 K 4.9977 9.3457 129.4542 54.6989 34.9869 174.8742 26 V 4.3474 9.2694 128.8035 62.1925 31.8289 176.5044 27 V 3.9430 9.1182 129.4537 64.6492 32.0329 175.6423 28 S 4.8929 7.9534 112.4801 57.5693 66.0736 173.1190 29 G 4.6105 8.4603 108.4158 44.6277 0.0000 172.4702 30 I 4.7452 8.2977 122.6944 59.3395 41.1496 175.3313 31 D 4.4360 8.7145 127.1902 55.2015 39.3130 173.2614 32 L 4.2184 7.7339 117.0013 54.0890 42.6029 177.5682 33 A 3.9727 8.1854 123.8947 52.0264 18.8839 177.4803 34 K 4.2675 8.5427 125.9522 55.7029 32.2303 176.8382 35 K 3.9806 8.5542 128.4985 56.2931 32.3888 173.8182 *40 A 4.0347 7.7007 121.0869 51.8077 19.2601 175.5111 41 S 4.5979 8.4864 118.5242 58.0168 63.8792 172.6418 42 D 5.8092 9.5043 128.0160 50.9289 41.5624 172.9340 43 P 5.4112 0.0000 0.0000 62.3303 33.4219 174.4323 44 Y 5.4794 8.9769 120.1940 55.7395 42.4492 173.5987 45 V 4.5481 8.2236 120.0522 60.9270 34.1563 173.9981 46 K 4.9079 9.2853 129.7897 55.0436 34.1005 174.6632 47 L 4.6358 8.8821 128.1205 53.1051 43.8667 175.5923 48 S 4.8936 8.6903 120.4681 56.4921 65.7521 173.0327 49 L 4.5862 8.6869 128.6030 54.5858 43.1853 175.1577 50 Y 5.2324 8.3960 122.9078 55.5107 42.3790 173.8494 51 V 4.2474 8.8086 121.0736 62.1410 32.6761 175.4642 52 A 4.2465 8.8048 130.5191 53.7444 18.5923 176.5062 53 D 5.0340 9.2511 125.0825 55.1827 39.2526 176.1486 54 E 3.9902 8.2131 115.7332 57.7027 30.0320 176.7411 55 N 4.2177 7.6365 115.0603 54.3177 36.7703 174.6688 56 R 4.5605 7.5513 117.8305 54.3213 32.5145 175.6024 57 E 4.4914 8.9278 126.7340 57.0378 29.4607 176.9094 58 L 4.6992 9.0523 123.7960 55.1223 43.9941 176.6560 59 A 4.5749 7.4661 116.8977 51.1072 22.3763 175.2234 60 L 5.2534 8.6388 120.9962 53.0550 45.5432 176.2965 61 V 4.5963 8.4781 122.0093 60.4462 34.9085 173.0187 62 Q 5.1620 8.4023 119.8507 54.4356 31.6752 174.9262 63 T 4.9953 8.9623 112.0243 60.1380 70.1361 174.1138 64 K 4.2170 9.4873 121.9400 57.7464 33.2749 176.4122 65 T 4.9657 8.4830 117.9018 63.0609 69.9840 174.2287 66 I 4.4545 9.0096 127.6440 59.8090 39.1283 175.3318 67 K 4.4576 8.7342 126.4124 56.5201 32.7381 177.2814 68 K 3.8361 9.1244 123.1174 56.8854 29.7782 174.5690 69 T 4.5433 8.2304 110.7348 61.1806 71.1725 172.7453 70 L 4.6172 8.4219 124.9115 53.8561 43.1597 176.2515 71 N 5.7319 8.1966 115.7565 50.5370 38.2427 173.2999 72 P 4.0330 0.0000 0.0000 62.5560 33.3394 177.0829 73 K 4.4234 8.0970 122.0461 54.9603 33.1062 175.6413 74 W 4.5294 9.0119 125.3154 57.3117 30.2941 177.3609 75 N 4.2438 8.0735 114.8417 54.7417 36.2547 173.8362 76 E 4.7505 8.4342 116.1636 54.5071 33.0015 176.2336 77 E 4.9777 8.3369 123.5085 54.5181 32.3954 174.9530 78 F 4.9674 9.4464 123.4719 56.0115 43.9370 172.9886 79 Y 5.1182 8.8670 119.3745 56.3419 40.5490 174.6460 80 F 5.4157 9.7575 122.7824 55.7278 42.6770 174.4474 81 R 5.0228 9.0641 123.2184 55.4199 30.7453 175.8987 82 V 4.7749 9.1227 119.1259 59.8058 37.1236 174.1140 83 N 5.2279 8.2214 120.7115 50.6922 39.4185 173.7056 84 P 4.4223 0.0000 0.0000 65.2838 31.7608 178.9195 85 S 4.3338 7.8919 111.5627 60.0890 63.5485 174.3019 86 N 5.0202 8.0390 115.1151 52.6973 40.6405 173.5377 87 H 5.3249 8.2213 116.2537 54.1799 32.3362 173.5015 88 R 4.8191 8.2368 117.9525 54.4231 35.2188 173.9010 89 L 4.7555 8.5884 122.7559 53.1814 44.7696 174.7559 90 L 4.9925 8.8461 129.2906 53.8523 44.0581 174.8817 91 F 5.0519 9.5335 125.1535 55.7174 41.6732 174.1915 92 E 4.9859 9.2929 123.7515 54.4293 32.8501 175.1011 93 V 4.4286 8.2487 124.6505 61.5440 33.3547 174.6774 94 F 5.0506 8.5396 125.6885 55.5604 43.4970 173.5984 95 D 5.0958 9.1450 122.1965 52.8057 42.1872 175.1639 96 E 4.9244 9.3765 129.0749 56.4443 30.1952 175.6964 97 N 5.1427 9.4365 123.9371 51.6436 41.8563 174.8991 98 R 4.0403 8.8819 121.9823 58.9790 30.4217 177.3421 99 L 4.6639 7.8788 113.4393 54.4653 42.8836 175.6574 100 T 4.7312 7.4287 107.5652 58.8851 71.9791 173.2933 101 R 4.0363 8.4836 122.0703 56.7312 30.5806 175.8286 102 D 4.7412 8.7257 124.9997 55.0123 41.8340 175.5866 103 D 4.8686 9.0371 123.1419 53.4396 42.4194 175.7102 104 F 4.2252 9.1444 126.3912 58.3574 39.6792 174.5906 105 L 4.2675 9.2891 124.7208 53.9306 43.3174 176.1227 106 G 3.9772 5.3800 106.6574 43.4432 0.0000 171.4760 107 Q 5.1018 8.5635 118.1777 54.4815 32.9946 174.0345 108 V 4.6485 8.9649 119.4035 61.2480 34.9637 173.3854 109 D 5.4982 9.0154 127.6927 52.5830 43.0374 175.1027 110 V 4.5765 8.8731 127.1571 59.1176 33.6023 173.7529 111 P 4.6503 0.0000 0.0000 62.6379 32.1370 176.1759 112 L 4.6504 7.8691 120.4502 54.7042 42.1208 177.9734 113 S 4.4706 7.9284 113.8956 60.0882 63.3336 174.1801 114 H 5.0370 7.9401 117.5105 55.2979 29.6714 173.5528 115 L 4.4070 8.2147 118.4256 53.6501 42.5549 175.1294 116 P 4.7504 0.0000 0.0000 63.1883 33.1706 174.7339 117 T 5.2268 8.2646 116.1133 61.9185 71.2517 173.8384 118 E 4.6086 9.2310 126.6339 54.9323 32.9986 174.2308 119 D 4.5195 8.9345 127.5720 53.8032 41.9873 174.1564 120 P 4.2810 0.0000 0.0000 63.1754 31.7770 176.3956 *126 Y 4.1890 8.2044 122.5574 58.3047 39.0845 175.6075 127 T 4.3093 7.7992 106.8270 61.2186 69.3509 174.1395 128 F 4.8562 7.4104 117.3364 57.2087 39.3059 174.3471 129 K 4.6957 9.3709 117.6622 54.7940 36.3726 175.8087 130 D 5.2269 8.6169 123.5277 53.1094 41.5894 175.8753 131 F 4.5354 9.6230 124.2669 56.2106 40.5683 175.3646 132 L 3.8345 8.7666 126.1599 54.9171 42.3600 176.5593 133 L 4.3228 8.3133 127.3010 55.0408 42.2687 176.8357 134 R 4.8555 8.8629 122.0715 53.4593 33.5391 174.1312 135 P 4.9488 0.0000 0.0000 62.4857 32.3480 176.8717 136 R 3.9343 8.7765 118.6004 58.4009 30.3444 177.4489 137 S 4.8126 7.5850 110.9424 55.9154 65.6906 174.3502 138 H 4.1419 8.8973 117.4140 58.5501 27.9502 176.2154 139 K 4.1415 7.1504 116.9460 57.0148 32.1778 176.0813 140 S 4.8676 7.6966 112.8935 56.2314 65.7117 173.2459 141 R 4.6975 8.1373 117.6375 54.6420 33.6526 175.1696 142 V 4.5530 7.9878 113.0195 59.8751 35.3533 174.4662 143 K 4.3685 8.0973 117.6826 56.8633 35.5073 176.5229 144 G 3.8348 8.6074 106.2759 45.6350 0.0000 171.9145 145 F 5.3936 8.7176 115.3716 55.5779 43.9692 173.9503 146 L 5.1409 9.1437 122.7984 53.4328 44.8156 175.0232 147 R 5.0397 9.1932 127.8686 55.3334 31.3830 174.9911 148 L 5.3534 9.1943 125.7725 52.8242 46.3901 175.3578 149 K 5.0121 8.9697 122.7002 55.0548 35.3029 174.8523 150 M 5.4238 8.6069 125.2099 54.0505 36.1807 174.1099 151 A 4.7558 8.6843 123.1204 50.8771 23.4358 175.2937 152 Y 4.6816 9.0232 119.7257 58.0157 39.3536 175.5315 153 M 4.5614 9.1580 123.6817 54.5402 32.8509 175.0071 154 P 4.4476 0.0000 0.0000 63.2588 31.5538 176.0506 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 6 G 8.35 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 7 E 7.64 4.46 0.00 1.46 1.67 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 2.00 2.04 0.00 8 P 0.00 4.21 0.00 1.83 1.74 0.00 3.61 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 9 V 7.81 4.49 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 0.89 0.00 0.00 0.92 0.00 0.00 10 Y 8.59 4.38 0.00 2.43 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 11 G 9.06 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 0.00 0.00 0.00 0.00 12 L 8.08 4.78 0.00 1.65 1.59 0.94 0.91 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 13 S 8.52 4.39 0.00 3.88 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 14 E 8.70 4.33 0.00 1.99 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 2.27 2.31 0.00 15 D 7.65 4.45 0.00 2.62 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 0.00 0.00 0.00 0.00 16 E 8.91 4.03 0.00 2.14 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 2.37 1.88 0.00 17 G 8.35 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.31 4.76 0.00 1.90 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 2.18 2.19 0.00 19 S 7.69 5.04 0.00 4.10 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 20 R 9.10 4.83 0.00 1.78 1.88 0.00 3.22 0.00 0.00 3.05 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.38 0.00 21 I 8.50 4.92 2.04 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 1.33 1.03 1.18 0.00 0.00 22 L 9.14 4.77 0.00 1.56 1.61 0.20 0.73 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 23 R 8.64 4.47 0.00 1.86 1.86 0.00 3.14 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.75 0.00 24 V 8.94 5.00 2.45 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 1.21 0.00 0.00 1.10 0.00 0.00 25 K 9.35 5.00 0.00 1.83 1.68 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.53 7.81 26 V 9.27 4.35 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 0.80 0.00 0.00 1.13 0.00 0.00 27 V 9.12 3.94 2.20 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 0.87 0.00 0.00 0.97 0.00 0.00 28 S 7.95 4.89 0.00 3.83 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 29 G 8.46 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 0.00 0.00 0.00 0.00 30 I 8.30 4.75 2.02 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.68 0.97 0.00 0.00 31 D 8.71 4.44 0.00 2.97 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 32 L 7.73 4.22 0.00 1.66 1.54 0.94 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.19 3.97 1.17 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 0.00 0.00 34 K 8.54 4.27 0.00 1.69 1.74 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.47 7.81 35 K 8.55 3.98 0.00 1.81 1.70 0.00 1.89 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.32 1.00 7.81 *40 A 7.70 4.03 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 41 S 8.49 4.60 0.00 3.92 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 42 D 9.50 5.81 0.00 2.81 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 43 P 0.00 5.41 0.00 2.39 2.14 0.00 3.75 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 44 Y 8.98 5.48 0.00 3.14 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 45 V 8.22 4.55 1.60 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 0.93 0.00 0.00 -0.26 0.00 0.00 46 K 9.29 4.91 0.00 2.16 1.98 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.43 7.81 47 L 8.88 4.64 0.00 1.33 1.00 0.54 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 48 S 8.69 4.89 0.00 3.62 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 49 L 8.69 4.59 0.00 1.38 1.51 0.78 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 50 Y 8.40 5.23 0.00 3.08 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 51 V 8.81 4.25 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 0.95 0.00 0.00 0.90 0.00 0.00 52 A 8.80 4.25 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 53 D 9.25 5.03 0.00 2.90 2.91 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 54 E 8.21 3.99 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 55 N 7.64 4.22 0.00 2.80 2.70 0.00 0.00 6.79 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 56 R 7.55 4.56 0.00 1.90 1.83 0.00 3.20 0.00 0.00 3.35 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 57 E 8.93 4.49 0.00 1.90 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 0.00 2.27 2.32 0.00 58 L 9.05 4.70 0.00 1.44 1.71 0.60 0.03 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 59 A 7.47 4.57 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.64 5.25 0.00 1.48 1.51 0.91 0.88 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 61 V 8.48 4.60 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 0.01 0.00 0.00 0.89 0.00 0.00 62 Q 8.40 5.16 0.00 2.27 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.08 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 63 T 8.96 5.00 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 64 K 9.49 4.22 0.00 1.84 2.03 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.95 1.73 7.81 65 T 8.48 4.97 4.35 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 1.48 0.00 0.00 66 I 9.01 4.45 1.74 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.03 0.83 0.00 0.00 67 K 8.73 4.46 0.00 1.66 1.76 0.00 1.95 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.44 7.81 68 K 9.12 3.84 0.00 2.08 1.82 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.38 1.22 7.81 69 T 8.23 4.54 4.18 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 1.12 0.00 0.00 70 L 8.42 4.62 0.00 1.59 1.60 0.95 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 71 N 8.20 5.73 0.00 2.41 2.62 0.00 0.00 6.98 7.88 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 72 P 0.00 4.03 0.00 0.49 1.66 0.00 3.66 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.61 0.00 73 K 8.10 4.42 0.00 1.48 1.69 0.00 1.48 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.24 1.41 7.81 74 W 9.01 4.53 0.00 3.58 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 75 N 8.07 4.24 0.00 2.86 2.89 0.00 0.00 6.93 8.46 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 76 E 8.43 4.75 0.00 2.07 1.56 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 2.24 2.57 0.00 77 E 8.34 4.98 0.00 1.88 1.69 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 1.99 2.11 0.00 78 F 9.45 4.97 0.00 2.91 2.46 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 79 Y 8.87 5.12 0.00 3.09 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 80 F 9.76 5.42 0.00 2.97 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 81 R 9.06 5.02 0.00 1.90 1.96 0.00 3.42 0.00 0.00 3.27 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 82 V 9.12 4.77 2.20 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 0.80 0.00 0.00 1.21 0.00 0.00 83 N 8.22 5.23 0.00 2.53 2.05 0.00 0.00 7.69 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 84 P 0.00 4.42 0.00 2.10 2.10 0.00 3.55 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.82 0.00 85 S 7.89 4.33 0.00 3.96 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 86 N 8.04 5.02 0.00 2.55 2.81 0.00 0.00 7.01 8.16 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 87 H 8.22 5.32 0.00 3.13 3.02 0.00 5.58 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.24 4.82 0.00 0.67 1.57 0.00 3.02 0.00 0.00 3.03 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.23 0.00 89 L 8.59 4.76 0.00 1.42 1.30 -0.05 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.85 4.99 0.00 1.90 1.59 1.13 0.53 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 91 F 9.53 5.05 0.00 2.79 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 92 E 9.29 4.99 0.00 1.99 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 2.36 2.27 0.00 93 V 8.25 4.43 1.79 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 1.02 0.00 0.00 0.89 0.00 0.00 94 F 8.54 5.05 0.00 1.59 2.50 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 0.00 95 D 9.14 5.10 0.00 2.77 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 96 E 9.38 4.92 0.00 2.44 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 2.41 2.39 0.00 97 N 9.44 5.14 0.00 2.82 2.70 0.00 0.00 7.00 7.48 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 98 R 8.88 4.04 0.00 1.79 1.96 0.00 3.20 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 99 L 7.88 4.66 0.00 1.66 1.66 0.93 0.78 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 0.00 100 T 7.43 4.73 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 0.00 101 R 8.48 4.04 0.00 1.86 1.92 0.00 3.28 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 102 D 8.73 4.74 0.00 2.53 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 0.00 103 D 9.04 4.87 0.00 2.69 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 0.00 104 F 9.14 4.23 0.00 3.03 2.98 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 0.00 105 L 9.29 4.27 0.00 1.21 1.40 0.86 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 106 G 5.38 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 0.00 0.00 0.00 107 Q 8.56 5.10 0.00 2.26 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.71 0.00 0.00 0.00 0.00 0.00 2.62 2.37 0.00 108 V 8.96 4.65 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 0.48 0.00 0.00 0.93 0.00 0.00 109 D 9.02 5.50 0.00 2.75 2.61 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 0.00 110 V 8.87 4.58 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 0.88 0.00 0.00 0.93 0.00 0.00 111 P 0.00 4.65 0.00 2.14 2.12 0.00 3.80 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.05 0.00 112 L 7.87 4.65 0.00 1.63 1.87 0.88 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 113 S 7.93 4.47 0.00 3.81 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 H 7.94 5.04 0.00 3.16 3.33 0.00 5.69 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 L 8.21 4.41 0.00 1.78 1.61 0.83 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 116 P 0.00 4.75 0.00 2.18 2.25 0.00 3.79 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.05 0.00 117 T 8.26 5.23 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 118 E 9.23 4.61 0.00 1.96 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 2.28 2.29 0.00 119 D 8.93 4.52 0.00 2.77 2.61 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 0.00 120 P 0.00 4.28 0.00 2.16 2.09 0.00 3.83 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.26 0.00 *126 Y 8.20 4.19 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 0.00 127 T 7.80 4.31 4.23 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 1.20 0.00 0.00 128 F 7.41 4.86 0.00 3.14 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 0.00 129 K 9.37 4.70 0.00 1.56 1.05 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.75 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.26 7.81 130 D 8.62 5.23 0.00 2.35 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 0.00 0.00 0.00 131 F 9.62 4.54 0.00 2.96 2.99 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 0.00 0.00 0.00 132 L 8.77 3.83 0.00 1.66 1.60 0.40 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 133 L 8.31 4.32 0.00 1.52 1.45 0.90 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 134 R 8.86 4.86 0.00 1.72 1.81 0.00 3.29 0.00 0.00 3.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 135 P 0.00 4.95 0.00 2.43 2.16 0.00 3.79 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 136 R 8.78 3.93 0.00 1.45 1.75 0.00 2.21 0.00 0.00 2.81 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.50 0.00 137 S 7.58 4.81 0.00 3.80 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 0.00 138 H 8.90 4.14 0.00 3.26 3.54 0.00 5.71 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 K 7.15 4.14 0.00 1.73 1.83 0.00 1.60 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.22 7.81 140 S 7.70 4.87 0.00 3.98 3.84 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 0.00 141 R 8.14 4.70 0.00 1.74 1.79 0.00 3.14 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 142 V 7.99 4.55 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 0.74 0.00 0.00 0.92 0.00 0.00 143 K 8.10 4.37 0.00 1.73 1.67 0.00 1.57 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 3.40 0.00 0.00 0.00 0.00 1.31 1.66 7.81 144 G 8.61 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 0.00 0.00 0.00 145 F 8.72 5.39 0.00 2.90 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 0.00 146 L 9.14 5.14 0.00 1.77 1.53 1.14 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 147 R 9.19 5.04 0.00 1.91 1.85 0.00 2.61 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.35 0.00 148 L 9.19 5.35 0.00 1.70 1.36 -0.60 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 149 K 8.97 5.01 0.00 1.96 1.69 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.46 7.81 150 M 8.61 5.42 0.00 1.85 1.92 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.61 0.00 151 A 8.68 4.76 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 0.00 152 Y 9.02 4.68 0.00 3.00 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 0.00 153 M 9.16 4.56 0.00 1.98 2.22 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 3.01 0.00 154 P 0.00 4.45 0.00 2.07 2.04 0.00 3.78 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.17 0.00 * Residues marked with a * may have inaccurate shift predictions.