NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.6188 8.3149 120.0860 56.4140 33.6726 174.6783 6 I 4.4996 9.0184 125.4007 58.5174 41.6554 169.2322 7 V 4.8800 9.0103 124.7608 60.5596 34.5789 173.7927 8 L 5.0407 8.6345 128.3603 53.2548 44.0645 175.9822 9 K 4.6050 8.8607 125.2404 54.7925 32.4787 176.5086 10 S 4.6515 8.4709 120.1758 58.1921 63.1022 174.9635 11 S 4.2281 8.7941 115.5257 60.0877 62.3754 173.5398 12 D 4.8978 7.3230 119.8491 53.9698 39.1612 177.1562 13 G 3.9639 8.2837 104.1686 47.5254 0.0000 172.0656 14 E 4.7521 7.8482 121.7221 55.0619 32.4154 173.9888 15 S 4.5145 8.5138 119.1921 59.0435 64.2265 173.7065 16 F 4.5824 8.6011 119.4948 55.6017 42.5730 173.7326 17 E 4.3776 8.9683 125.9106 56.0808 29.9956 176.0715 18 V 4.6702 8.5158 119.3798 59.4939 36.5694 175.7590 19 E 4.4056 8.6536 122.5415 55.6536 29.7803 176.8646 20 E 3.9911 8.1937 119.4452 59.4863 29.3122 177.3924 21 A 4.2704 7.5717 120.5079 53.0452 18.7971 178.8371 22 V 3.7250 7.5708 117.6705 65.4895 31.7572 177.0567 23 A 4.3541 7.4961 116.7179 53.0445 17.2714 178.2807 24 L 4.3186 7.6375 116.8552 55.4989 42.0339 178.2480 25 E 4.4312 7.6914 117.3308 57.6943 29.5918 176.5839 26 S 4.4856 7.3420 113.1363 56.7620 61.6808 174.2614 27 Q 4.3927 8.6031 124.4623 57.4188 28.0369 178.3377 28 T 3.9425 7.8449 116.7273 64.8042 69.3496 176.7678 29 I 4.0162 7.8340 121.4214 62.4312 38.3298 178.0389 30 A 3.9212 8.0418 123.3160 55.7132 18.2877 178.6098 31 H 4.5771 7.6750 108.7945 56.7822 28.2761 175.5350 32 M 4.8475 7.9034 118.2496 55.3724 32.5709 176.7789 33 V 4.1913 7.4951 108.9184 61.5191 31.8848 176.8833 34 E 4.1580 7.4465 120.3126 58.7446 30.1940 177.5922 35 D 4.5928 7.7105 121.6839 52.7098 39.3338 176.1246 36 D 4.6365 7.8548 120.2591 54.3630 38.4275 175.7740 37 C 4.4915 8.4490 121.8215 60.0516 28.6218 175.8523 38 V 3.7598 7.6273 120.4956 64.6324 31.1560 177.2225 39 D 4.3567 7.4673 118.2990 58.4562 40.7786 177.2441 40 N 4.6850 8.1008 113.7401 52.8223 38.6998 173.6290 41 G 4.0556 7.7504 110.4950 44.7053 0.0000 174.5246 42 V 3.7877 8.1933 121.9320 60.9953 32.3559 173.4214 43 P 4.9356 0.0000 0.0000 61.7308 32.3242 176.8799 44 L 4.8468 8.6181 124.3443 53.2377 40.6358 175.0846 45 P 4.4361 0.0000 0.0000 64.0824 31.2373 176.5406 46 N 4.7193 8.0801 114.0484 52.4629 39.3508 174.1849 47 V 4.2037 7.4125 118.8024 60.4670 33.6636 174.9399 48 T 4.2069 8.3539 121.3991 62.5201 69.3104 174.4322 49 S 4.2718 8.7126 121.1196 60.6644 62.0583 176.3689 50 K 4.0407 8.0955 122.1239 59.3433 31.8893 178.7486 51 I 3.7645 7.6220 119.6194 64.3514 37.4878 177.6172 52 L 3.8023 8.0044 120.8907 58.2587 41.5491 179.0503 53 A 3.9762 7.8119 120.0209 55.2967 18.2165 179.9035 54 K 4.2354 7.7685 115.9730 59.2890 32.0241 180.0048 55 V 3.7799 7.9861 118.9961 66.2293 31.5703 178.1820 56 I 3.7706 7.7050 119.3349 64.3331 36.6450 178.0345 57 E 4.1398 8.2161 120.0201 59.2514 29.4098 178.3148 58 Y 4.0390 7.7204 119.4965 60.8608 38.8796 177.4573 59 C 3.8374 8.1244 117.5515 62.5872 28.3568 175.7430 60 K 3.7190 8.3971 121.5574 59.9711 31.4479 178.5881 61 R 3.6486 7.1743 116.8404 59.4600 29.6917 177.8522 62 H 4.0694 7.8722 116.1800 58.4798 28.8501 177.6100 63 V 3.5678 7.9464 120.4736 65.7421 31.3803 176.8828 64 E 4.3349 7.5929 116.4795 56.5928 28.7869 176.9925 65 A 4.4332 7.3119 119.1146 51.8086 20.0224 178.6546 66 A 4.0818 7.4744 118.5751 55.2828 19.1727 180.1444 67 A 4.2643 7.4549 119.8395 51.8963 17.1936 177.7196 *80 D 4.6166 8.6059 111.8074 54.8194 43.1155 177.3514 81 D 4.4487 8.0802 118.9278 57.2329 41.7227 177.0387 82 D 4.7126 7.9555 116.3038 54.8132 41.1308 178.3107 83 L 4.1102 7.6805 120.7262 57.7470 42.0893 179.0247 84 K 4.3207 7.6499 117.8827 58.8745 31.9124 179.1024 85 A 4.0437 7.4214 121.4614 54.7606 18.5582 179.2164 86 W 4.2379 8.2433 125.8555 60.6719 30.4210 177.9063 87 D 4.3839 9.0149 118.7877 57.5493 40.1589 178.5131 88 A 3.9954 7.6052 119.1559 55.4718 18.5239 178.8685 89 D 4.3192 8.0478 116.1575 57.1528 41.0906 178.2209 90 F 3.8646 7.9978 120.7849 61.0141 39.2950 176.4249 91 M 3.9577 7.3498 116.4445 56.0338 33.3061 177.0914 92 K 4.1714 7.2260 119.7300 56.5473 29.7720 174.7843 93 I 4.5308 6.8626 113.7851 57.8279 41.5255 175.9286 94 D 4.5346 8.0306 120.1596 52.6452 41.5072 176.9283 95 Q 3.3438 8.2662 118.2570 59.0460 28.5802 178.8669 96 A 3.9222 7.8331 120.9926 55.6039 18.2140 179.8214 97 T 3.7908 7.5481 113.5600 66.6607 68.7025 176.3725 98 L 3.7660 7.4632 122.2158 58.4528 41.9107 179.2710 99 F 4.5379 7.8751 117.2657 60.8701 38.4969 177.5699 100 E 4.1222 8.0294 117.8550 58.8156 29.0745 179.5694 101 L 4.0540 7.6597 119.1283 57.6012 41.8792 179.0887 102 I 3.7152 7.5314 119.4979 64.6217 37.0024 178.3298 103 L 4.0103 8.0456 119.3805 57.8477 41.2983 179.6796 104 A 4.1263 7.7217 119.4635 55.0344 18.7617 179.5091 105 A 4.0043 8.8103 119.5851 54.8215 18.1558 178.6604 106 N 4.5758 8.0936 113.8617 55.2253 39.4018 175.9372 107 Y 4.3991 7.6603 120.1042 61.0667 39.4802 175.7383 108 L 4.3387 8.3621 124.9986 53.7680 41.7482 178.2026 109 N 4.9247 8.3214 115.5313 53.6525 39.3727 176.8688 110 I 4.2588 7.8027 121.7704 59.4906 36.4335 177.0214 111 K 4.0217 8.3861 127.4455 59.0270 32.6981 178.8275 112 N 4.4831 8.1791 115.9519 55.4421 37.6024 176.2365 113 L 4.2349 7.8011 118.2278 55.2455 41.9382 176.1674 114 L 4.6499 8.6782 117.9986 54.8487 43.7212 178.2248 115 D 4.5840 7.7918 115.1115 55.8304 40.7014 177.1315 116 L 4.5343 7.6216 120.1486 57.0022 43.5990 178.0217 117 T 3.8558 7.6807 109.1286 65.0814 68.7692 176.0990 118 C 4.2714 8.0755 119.7448 62.4605 28.0942 175.8092 119 Q 4.2790 8.1097 120.2254 58.8756 28.3257 178.3955 120 T 3.9734 7.3665 116.3747 66.6748 69.0653 176.6347 121 V 3.8572 7.6675 119.8982 66.0371 31.6655 177.8863 122 A 4.0869 8.6098 120.8860 55.2568 17.9419 179.2414 123 D 4.4473 7.6711 116.5362 57.3446 40.9751 178.4941 124 M 4.2457 7.7952 118.4298 57.8623 32.0686 178.2534 125 I 4.3576 7.7335 119.5478 62.9230 38.1939 174.3151 126 K 4.2403 7.6356 121.2198 58.2070 31.5728 174.7386 127 G 3.5829 8.5653 115.5726 45.5088 0.0000 172.7509 128 K 4.4538 8.2700 119.2589 55.6274 32.8817 177.1640 129 T 4.4366 8.1896 111.6623 60.1937 71.6068 173.8770 130 P 4.3013 0.0000 0.0000 65.6984 31.1149 178.6006 131 E 3.9699 8.1027 117.6322 59.4319 29.3721 178.2975 132 E 3.9697 7.9981 118.6313 60.0922 29.2450 179.0013 133 I 4.1323 7.7683 120.0118 63.8302 37.6192 177.9703 134 R 4.1921 8.2401 117.3660 59.3343 29.3133 178.4353 135 T 4.0343 8.2870 118.3344 66.4805 68.2417 176.3252 136 T 4.4546 7.9870 111.8118 61.6465 69.9890 175.4978 137 F 4.5807 8.6529 117.1033 58.2052 45.1588 173.8925 138 N 4.1770 8.1195 117.7636 54.3463 36.4331 172.0956 139 I 4.4409 8.5106 118.6773 58.6063 40.1448 175.9359 140 K 4.0526 8.6078 125.3477 55.9337 32.5734 176.3292 141 N 4.1556 8.8139 123.5565 54.0603 38.9872 173.7777 142 D 4.8566 8.1538 124.0779 52.8596 40.0301 175.4170 143 F 4.8367 8.0233 119.3200 57.5091 39.3521 176.3937 144 T 4.0541 8.4933 117.2338 61.5585 70.4394 173.5833 145 P 4.3353 0.0000 0.0000 65.3282 31.3401 179.0504 146 E 3.9105 8.0762 117.4987 59.3418 29.4256 178.5734 147 E 3.8183 7.6816 117.1316 59.6344 29.5850 178.9353 148 E 3.2342 7.9824 118.9300 59.2342 29.5412 178.7053 149 E 3.7230 7.9869 119.0799 59.0584 29.7407 178.2337 150 E 3.7707 8.3825 119.7941 59.3167 29.5844 179.0470 151 V 3.4687 7.7226 118.3268 65.8881 31.6983 177.9428 152 R 3.6891 7.8444 118.5101 59.2642 29.8656 178.6127 153 R 2.8359 8.0304 118.0736 59.0330 30.0299 178.8162 154 E 3.7206 8.2951 118.5523 59.5563 29.2388 179.3161 155 N 4.4045 8.1606 115.5355 55.5434 38.6560 176.4871 156 Q 4.5333 7.6269 116.3697 55.6183 30.5209 177.1031 157 W 4.7666 8.0192 118.7509 58.0643 30.0492 176.5057 158 A 4.1971 7.6977 118.7891 52.8846 19.6553 177.6448 159 F 4.9080 8.9385 121.0482 56.0345 38.6004 175.9641 160 E 4.7488 8.7962 124.5977 55.5299 29.9978 176.4760 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 5 K 8.31 4.62 0.00 1.67 1.96 0.00 1.66 0.00 0.00 1.88 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.49 7.81 6 I 9.02 4.50 1.89 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 1.12 1.40 0.93 0.00 0.00 7 V 9.01 4.88 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 1.37 0.00 0.00 0.96 0.00 0.00 8 L 8.63 5.04 0.00 1.67 1.59 0.89 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.86 4.61 0.00 1.78 1.83 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.43 7.81 10 S 8.47 4.65 0.00 4.05 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.79 4.23 0.00 3.88 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 12 D 7.32 4.90 0.00 2.81 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 13 G 8.28 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 0.00 0.00 0.00 14 E 7.85 4.75 0.00 2.04 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 2.51 0.00 15 S 8.51 4.51 0.00 3.74 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 16 F 8.60 4.58 0.00 3.21 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 17 E 8.97 4.38 0.00 1.97 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 2.30 2.43 0.00 18 V 8.52 4.67 2.12 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 0.75 0.00 0.00 1.02 0.00 0.00 19 E 8.65 4.41 0.00 1.93 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 2.30 2.35 0.00 20 E 8.19 3.99 0.00 2.07 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 2.37 2.43 0.00 21 A 7.57 4.27 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 22 V 7.57 3.73 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 1.05 0.00 0.00 0.90 0.00 0.00 23 A 7.50 4.35 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 24 L 7.64 4.32 0.00 1.68 1.69 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 25 E 7.69 4.43 0.00 2.09 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 0.00 2.47 2.42 0.00 26 S 7.34 4.49 0.00 3.87 3.75 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 27 Q 8.60 4.39 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.37 6.54 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 28 T 7.84 3.94 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 1.05 0.00 0.00 29 I 7.83 4.02 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 1.18 1.37 0.90 0.00 0.00 30 A 8.04 3.92 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 31 H 7.68 4.58 0.00 3.26 3.33 0.00 5.60 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 M 7.90 4.85 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 33 V 7.50 4.19 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 0.78 0.00 0.00 0.98 0.00 0.00 34 E 7.45 4.16 0.00 1.96 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 2.28 2.22 0.00 35 D 7.71 4.59 0.00 2.77 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 36 D 7.85 4.64 0.00 2.78 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 37 C 8.45 4.49 0.00 3.01 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 38 V 7.63 3.76 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 1.00 0.00 0.00 0.93 0.00 0.00 39 D 7.47 4.36 0.00 2.72 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 N 8.10 4.69 0.00 2.72 2.84 0.00 0.00 6.91 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 41 G 7.75 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 0.00 0.00 0.00 42 V 8.19 3.79 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 0.81 0.00 0.00 0.93 0.00 0.00 43 P 0.00 4.94 0.00 2.00 2.06 0.00 3.64 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 2.03 2.19 0.00 44 L 8.62 4.85 0.00 2.05 1.89 0.98 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.44 0.00 2.08 2.14 0.00 3.74 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 46 N 8.08 4.72 0.00 1.56 1.99 0.00 0.00 6.58 7.76 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 47 V 7.41 4.20 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 1.02 0.00 0.00 1.09 0.00 0.00 48 T 8.35 4.21 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 1.27 0.00 0.00 49 S 8.71 4.27 0.00 4.51 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 50 K 8.10 4.04 0.00 1.90 1.81 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.56 7.81 51 I 7.62 3.76 2.01 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 1.52 0.68 0.97 0.00 0.00 52 L 8.00 3.80 0.00 1.65 1.64 0.68 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.81 3.98 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 0.00 0.00 0.00 0.00 0.00 54 K 7.77 4.24 0.00 2.05 2.08 0.00 1.63 0.00 0.00 1.42 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.67 1.54 7.81 55 V 7.99 3.78 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 1.11 0.00 0.00 1.06 0.00 0.00 56 I 7.70 3.77 1.92 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.59 0.96 0.00 0.00 57 E 8.22 4.14 0.00 2.18 2.35 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 2.64 2.53 0.00 58 Y 7.72 4.04 0.00 2.75 3.16 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 0.00 0.00 0.00 59 C 8.12 3.84 0.00 3.03 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 60 K 8.40 3.72 0.00 1.94 1.92 0.00 1.52 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.43 7.81 61 R 7.17 3.65 0.00 1.05 1.62 0.00 2.86 0.00 0.00 2.39 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.07 0.00 62 H 7.87 4.07 0.00 2.88 3.14 0.00 5.89 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.95 3.57 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 0.98 0.00 0.00 1.00 0.00 0.00 64 E 7.59 4.33 0.00 2.05 1.83 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 2.25 2.27 0.00 65 A 7.31 4.43 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 66 A 7.47 4.08 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 A 7.45 4.26 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 *80 D 8.61 4.62 0.00 2.75 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 81 D 8.08 4.45 0.00 2.76 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 82 D 7.96 4.71 0.00 2.73 2.70 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 83 L 7.68 4.11 0.00 1.70 1.75 0.80 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 84 K 7.65 4.32 0.00 2.01 1.92 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.52 7.81 85 A 7.42 4.04 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 86 W 8.24 4.24 0.00 3.50 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 87 D 9.01 4.38 0.00 3.08 2.85 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 88 A 7.61 4.00 1.39 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 0.00 0.00 89 D 8.05 4.32 0.00 2.91 2.63 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 90 F 8.00 3.86 0.00 1.80 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 91 M 7.35 3.96 0.00 1.91 2.14 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.74 0.00 92 K 7.23 4.17 0.00 1.71 1.70 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.45 7.81 93 I 6.86 4.53 1.68 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.44 0.64 0.00 0.00 94 D 8.03 4.53 0.00 2.77 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 95 Q 8.27 3.34 0.00 1.88 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.15 2.20 0.00 96 A 7.83 3.92 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 T 7.55 3.79 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 1.07 0.00 0.00 98 L 7.46 3.77 0.00 1.51 1.40 0.83 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 99 F 7.88 4.54 0.00 3.08 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 0.00 100 E 8.03 4.12 0.00 2.06 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 2.50 2.51 0.00 101 L 7.66 4.05 0.00 1.82 1.68 0.77 0.94 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 0.00 102 I 7.53 3.72 2.05 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.19 0.93 0.00 0.00 103 L 8.05 4.01 0.00 1.72 1.74 0.93 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 104 A 7.72 4.13 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 0.00 105 A 8.81 4.00 1.39 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 0.00 0.00 106 N 8.09 4.58 0.00 2.81 2.89 0.00 0.00 7.14 6.90 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 Y 7.66 4.40 0.00 2.99 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.36 4.34 0.00 1.65 1.41 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 109 N 8.32 4.92 0.00 2.60 2.74 0.00 0.00 6.76 7.94 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 0.00 110 I 7.80 4.26 1.94 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 1.23 0.88 1.11 0.00 0.00 111 K 8.39 4.02 0.00 1.81 1.83 0.00 1.73 0.00 0.00 1.89 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.45 7.81 112 N 8.18 4.48 0.00 3.01 3.11 0.00 0.00 5.92 6.67 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 0.00 113 L 7.80 4.23 0.00 1.76 1.89 0.21 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 114 L 8.68 4.65 0.00 1.74 1.59 0.93 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 115 D 7.79 4.58 0.00 2.74 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 0.00 116 L 7.62 4.53 0.00 1.83 1.67 0.98 0.97 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 0.00 117 T 7.68 3.86 4.22 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 0.00 0.00 0.00 1.16 0.00 0.00 118 C 8.08 4.27 0.00 3.17 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 0.00 119 Q 8.11 4.28 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.94 0.00 0.00 0.00 0.00 0.00 2.45 2.54 0.00 120 T 7.37 3.97 4.45 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 1.20 0.00 0.00 121 V 7.67 3.86 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 1.27 0.00 0.00 1.12 0.00 0.00 122 A 8.61 4.09 1.39 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 0.00 0.00 123 D 7.67 4.45 0.00 2.83 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 M 7.80 4.25 0.00 2.11 2.53 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.53 0.00 125 I 7.73 4.36 1.92 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 1.92 1.04 0.95 0.00 0.00 126 K 7.64 4.24 0.00 1.79 1.84 0.00 1.89 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.62 7.81 127 G 8.57 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 0.00 128 K 8.27 4.45 0.00 1.80 1.79 0.00 1.72 0.00 0.00 1.63 0.00 0.00 3.50 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.60 7.81 129 T 8.19 4.44 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 1.22 0.00 0.00 130 P 0.00 4.30 0.00 2.21 2.21 0.00 3.61 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 2.13 2.18 0.00 131 E 8.10 3.97 0.00 2.10 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 2.39 2.47 0.00 132 E 8.00 3.97 0.00 2.22 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 2.40 0.00 133 I 7.77 4.13 2.07 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 1.93 0.78 1.00 0.00 0.00 134 R 8.24 4.19 0.00 2.20 2.17 0.00 2.92 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.88 0.00 135 T 8.29 4.03 4.40 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 1.21 0.00 0.00 136 T 7.99 4.45 4.09 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 1.28 0.00 0.00 137 F 8.65 4.58 0.00 3.21 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 0.00 138 N 8.12 4.18 0.00 2.81 2.84 0.00 0.00 6.83 7.94 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 0.00 139 I 8.51 4.44 1.87 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.89 0.84 0.00 0.00 140 K 8.61 4.05 0.00 1.83 1.83 0.00 1.55 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.37 7.81 141 N 8.81 4.16 0.00 2.70 2.80 0.00 0.00 7.02 8.47 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 0.00 142 D 8.15 4.86 0.00 2.70 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 F 8.02 4.84 0.00 3.22 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 0.00 144 T 8.49 4.05 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 1.25 0.00 0.00 145 P 0.00 4.34 0.00 2.17 2.14 0.00 3.61 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 146 E 8.08 3.91 0.00 2.04 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 2.39 2.45 0.00 147 E 7.68 3.82 0.00 2.26 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 2.36 2.36 0.00 148 E 7.98 3.23 0.00 1.95 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 2.20 2.14 0.00 149 E 7.99 3.72 0.00 2.23 1.94 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 2.14 2.21 0.00 150 E 8.38 3.77 0.00 2.10 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 2.26 2.29 0.00 151 V 7.72 3.47 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 0.91 0.00 0.00 0.74 0.00 0.00 152 R 7.84 3.69 0.00 1.84 1.79 0.00 3.02 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.53 0.00 153 R 8.03 2.84 0.00 1.80 1.60 0.00 2.60 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.50 0.00 154 E 8.30 3.72 0.00 2.09 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 0.00 2.34 2.41 0.00 155 N 8.16 4.40 0.00 2.81 2.84 0.00 0.00 6.93 8.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 Q 7.63 4.53 0.00 1.93 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 157 W 8.02 4.77 0.00 3.42 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 0.00 158 A 7.70 4.20 0.22 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 0.00 0.00 0.00 0.00 0.00 0.00 159 F 8.94 4.91 0.00 3.09 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 0.00 160 E 8.80 4.75 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 2.12 2.14 0.00 * Residues marked with a * may have inaccurate shift predictions.