NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 25 L 4.4689 8.1693 120.6302 55.1020 45.3751 178.3164 26 T 4.1828 7.7421 108.3316 59.7140 68.4997 171.9946 27 E 4.7016 9.0797 120.5657 55.0889 29.1402 178.7300 28 E 4.2226 9.3511 114.8188 58.1271 29.5977 178.5679 29 Q 4.0393 8.1220 119.7940 58.8818 28.5587 178.5274 30 K 4.1848 7.8894 119.7102 58.9714 32.1289 178.7635 31 Q 4.1788 8.0575 119.0224 58.1700 29.0356 177.5565 32 E 4.0627 7.9978 120.1966 59.3655 29.4212 179.0101 33 I 4.0511 7.8987 119.4562 64.7039 37.2866 178.2462 34 R 3.7924 8.2320 119.6183 59.9285 29.7438 178.2255 35 E 4.2914 8.3770 116.0899 58.7768 29.2509 178.6716 36 A 4.4211 7.9637 121.2157 54.4747 19.0674 179.3387 37 F 3.7436 8.8511 119.4870 61.5556 39.4594 177.1941 38 D 4.5318 8.9917 118.3272 56.8325 40.2739 178.7215 39 L 3.7721 7.2127 118.8538 56.9019 41.5201 178.2650 40 F 4.6135 7.3148 114.9026 56.7073 40.4636 175.7753 41 D 4.6819 7.5333 117.5493 52.7899 40.8075 176.2052 42 A 4.0246 7.7861 122.6428 54.5606 19.1647 178.4100 43 D 4.5406 8.0277 113.7741 54.0342 41.7498 176.2001 44 G 3.7489 7.8360 107.1682 46.8706 0.0000 174.3976 45 T 4.1310 8.4183 107.6808 60.8966 69.6613 175.3300 46 G 4.1290 8.5354 110.1679 46.3327 0.0000 173.4697 47 T 4.9851 7.7276 108.5870 59.4238 71.8701 173.1237 48 I 4.4032 7.8769 114.9950 58.6739 40.6570 174.3082 49 D 4.9176 8.2054 121.0306 53.9066 41.3956 178.2021 50 V 3.8838 8.5162 118.1841 64.1965 31.3254 178.6212 51 K 4.1393 7.8836 116.7005 58.8795 33.0691 177.9113 52 E 4.0268 8.3381 119.4608 56.6655 29.3088 177.6515 53 L 3.9482 7.2795 121.0561 58.2014 42.0705 177.9508 54 K 4.1111 7.7596 118.1048 59.0721 32.9425 177.9712 55 V 3.7300 7.6815 118.0266 65.7619 31.9224 177.7952 56 A 4.3021 8.0838 120.5861 52.8821 17.7586 179.1678 *58 R 4.5857 8.3841 119.4659 57.8779 32.0038 178.1270 59 A 4.1218 8.0330 119.1420 54.9311 18.6361 177.8343 60 L 4.4018 8.2746 115.4521 54.9694 41.4620 178.8491 61 G 3.8715 8.1195 108.3030 45.4763 0.0000 174.4941 62 F 4.7220 7.1714 117.4806 57.3130 40.3612 175.6839 63 E 4.5112 8.4172 118.4407 54.6642 28.9878 173.6848 64 P 4.6541 0.0000 0.0000 63.9113 32.5116 175.9528 65 K 4.5828 8.3961 118.7293 54.4671 35.3995 177.8010 66 K 3.8288 8.5581 121.4929 60.1668 31.8434 179.0036 67 E 4.0573 8.0510 116.5181 58.4367 30.0242 177.9026 68 E 3.9917 8.0113 119.4275 59.1848 29.6753 178.0839 69 I 3.6141 7.4329 119.0773 64.5091 37.1093 177.4885 70 K 4.0110 8.0182 119.9497 59.5090 31.9441 178.2397 71 K 4.0648 7.6361 118.1508 57.1966 32.6943 178.3400 *73 I 4.0996 7.7828 120.3298 60.8501 39.2761 178.2367 74 S 4.0455 7.7189 113.6977 61.3777 62.3574 175.2365 75 E 4.1236 8.0855 118.4952 59.3599 29.5136 178.7237 76 I 3.8376 7.8422 118.4623 64.0403 38.2395 176.6087 77 D 4.7546 7.7161 121.0237 52.7414 39.6940 177.3673 78 K 4.1814 7.8592 119.7252 58.7586 32.0897 177.9085 79 E 4.5348 7.9981 117.0323 56.9306 30.5079 176.0724 80 G 4.0767 7.7358 104.7644 47.8962 0.0000 174.6568 81 T 4.1864 7.8426 107.2601 61.0714 70.2898 176.6576 82 G 3.9543 9.8242 111.9778 45.8212 0.0000 173.3051 83 K 5.3629 7.4885 116.8696 53.2140 35.7716 175.4048 *85 N 4.8975 8.3722 116.4713 53.5037 39.6188 174.7334 86 F 3.4833 8.4012 121.7292 60.7531 39.2077 177.2478 87 G 3.4906 8.0223 105.1556 47.8035 0.0000 175.2058 88 D 4.3009 8.6655 121.9758 57.0701 40.6467 178.7685 89 F 4.1730 7.9840 119.9105 60.8862 39.4402 176.6094 90 L 3.6671 7.5797 119.4960 58.3115 42.1581 178.4901 91 T 3.9847 7.7566 115.8966 66.8443 68.2870 177.2112 92 V 3.8088 7.2604 117.7742 63.5657 31.5005 177.9889 *94 T 4.2366 7.8121 113.5523 63.3043 70.0304 175.3118 95 Q 4.0309 8.2986 120.3283 59.1100 29.0478 178.5926 96 K 4.5195 7.4995 117.1356 56.6910 32.5097 178.5184 *98 S 4.4230 8.0301 113.2347 58.0155 65.2667 175.4939 99 E 3.9530 7.7280 121.4589 59.4324 29.4572 178.2576 100 K 3.8039 8.3604 119.9300 59.9594 32.0845 178.3110 101 D 4.3474 8.0308 118.1602 57.5517 41.1175 178.3629 102 T 3.8796 7.6638 115.7728 66.9372 68.5204 176.4573 103 K 4.0896 8.8836 121.5182 59.2147 31.9263 178.7891 104 E 4.0228 8.3054 119.2379 59.2710 29.3779 179.0441 105 E 4.3433 8.1877 118.4916 59.6043 29.5802 179.2121 106 I 3.9510 7.8560 119.7448 64.7721 37.2541 178.2632 107 L 4.1664 8.2842 120.8884 57.8357 41.6596 178.7370 108 K 3.9373 9.0650 119.8839 59.4716 32.3328 178.3479 109 A 4.1788 8.3463 120.9211 55.0784 18.3201 179.0036 110 F 3.0438 8.5108 119.6933 61.4715 39.1222 177.3675 111 K 3.9116 8.0700 116.1933 59.7492 31.8985 178.9409 112 L 4.0915 7.9320 118.6004 57.5297 41.6428 179.1195 113 F 4.0709 7.8522 116.3896 59.8884 40.5767 176.4843 114 D 4.6984 7.8240 119.9012 53.0031 37.3201 176.0502 115 D 4.7085 7.5663 117.1411 53.6704 40.0026 177.2401 116 D 4.6877 7.8005 118.2360 52.6833 39.9468 176.4890 117 E 3.8630 8.0750 118.4344 57.3592 28.6314 174.9070 118 T 4.0066 7.6755 105.3302 62.4698 68.8440 175.5527 119 G 4.1332 9.3703 111.1720 45.5509 0.0000 173.4651 120 K 5.0917 7.6959 117.6579 54.6027 36.4285 175.9394 121 I 4.3262 9.2544 125.7568 60.6415 38.3243 175.6495 122 S 4.8341 8.9180 122.1743 56.8993 65.6184 174.8776 123 F 3.7620 9.0285 121.3267 61.6510 39.0773 177.0579 124 K 3.9640 8.4984 118.3192 59.9572 31.8403 178.2075 125 N 4.3115 8.0707 115.8717 56.2004 38.5035 176.7709 126 L 4.0466 8.0955 121.9273 58.2866 42.1563 178.7368 127 K 3.6827 8.1483 119.5457 59.5585 32.0191 178.5035 128 R 3.8150 8.0116 118.6127 59.4385 29.9962 178.3672 129 V 3.3850 7.9771 117.8336 65.9319 31.4906 177.3418 130 A 3.9469 7.9208 120.3015 55.4801 18.2034 179.6858 131 K 3.8588 7.9086 116.2378 59.8040 31.9963 179.4917 132 E 4.0701 8.2142 116.9482 58.3048 29.4088 178.2348 133 L 4.4889 7.4442 116.7804 53.7902 42.2976 177.3485 134 G 3.9215 7.8748 107.2554 45.5187 0.0000 173.8288 135 E 4.2465 8.4829 119.2897 55.9392 30.3063 176.6797 136 N 4.8869 8.3954 120.4264 51.4876 38.5171 172.8986 137 L 4.8617 7.6191 120.3198 52.6741 44.5072 177.4012 138 T 4.3102 8.2163 112.9410 61.0182 71.1418 175.4904 139 D 4.7692 8.9170 121.7549 58.5356 40.6462 179.4418 140 E 3.9433 8.1008 118.0442 59.6223 29.3531 179.3502 141 E 4.2307 7.6205 116.6752 58.5861 29.9399 178.4956 142 L 4.0038 7.7544 118.2763 58.0562 41.9598 178.8752 143 Q 4.3968 8.9730 119.8200 58.9201 28.9364 176.9874 144 E 4.4280 7.7973 116.4056 56.8883 30.2081 178.9537 *146 I 4.0721 7.8141 120.2177 62.8149 39.3491 177.7505 147 D 4.5544 8.3112 119.1271 57.6740 40.9117 178.3902 148 E 4.0054 8.4483 118.0964 59.1245 29.6083 177.8551 149 A 4.2484 7.8111 119.0410 53.9243 19.5593 177.6389 150 D 4.8441 8.6306 118.3135 53.9093 39.1732 176.7688 151 R 3.9958 8.0324 121.6774 58.6302 30.7959 177.9427 152 D 4.3913 8.5689 115.9027 53.9245 39.5999 176.9826 153 G 3.8986 7.9487 108.3745 46.5709 0.0000 174.1223 154 D 4.4644 8.1668 117.9024 53.2958 39.8223 177.3816 155 G 3.9563 9.9540 109.7591 45.1620 0.0000 172.2769 156 E 4.9418 8.0780 115.7944 54.5258 33.5484 175.1947 157 V 4.7917 8.6775 113.4298 59.4523 34.1024 176.5684 158 S 4.6010 9.2295 121.1270 57.8169 64.4230 175.4149 159 E 3.3246 8.3967 118.8717 59.5575 29.0383 179.7139 160 Q 3.9218 7.8798 117.4807 58.8342 28.7902 178.3443 161 E 4.2004 8.2641 119.7729 58.9949 29.2611 178.8476 162 F 4.0362 8.5782 120.6660 61.1272 39.6256 176.4775 163 L 4.1177 8.5801 118.3046 58.1609 41.9695 179.2612 164 R 4.0214 8.3075 118.3862 59.5586 29.7200 179.8207 165 I 3.6457 7.6547 115.1819 61.4990 38.0173 176.7078 *167 K 4.2941 8.0354 119.2100 55.6858 34.0012 176.1092 168 K 4.1365 7.7900 121.6676 56.6033 31.8639 176.6219 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 25 L 8.17 4.47 0.00 1.67 1.81 0.93 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 26 T 7.74 4.18 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 1.22 0.00 0.00 27 E 9.08 4.70 0.00 2.07 1.75 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 2.20 2.07 0.00 28 E 9.35 4.22 0.00 2.22 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 0.00 2.31 2.50 0.00 29 Q 8.12 4.04 0.00 2.20 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.85 0.00 0.00 0.00 0.00 0.00 2.40 2.63 0.00 30 K 7.89 4.18 0.00 1.88 1.96 0.00 1.95 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.50 1.46 7.81 31 Q 8.06 4.18 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.75 0.00 32 E 8.00 4.06 0.00 2.24 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 2.38 2.39 0.00 33 I 7.90 4.05 2.11 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 1.45 0.57 1.07 0.00 0.00 34 R 8.23 3.79 0.00 1.90 2.12 0.00 2.21 0.00 0.00 2.81 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 35 E 8.38 4.29 0.00 2.30 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 2.36 2.49 0.00 36 A 7.96 4.42 1.74 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 37 F 8.85 3.74 0.00 3.15 3.40 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 38 D 8.99 4.53 0.00 2.95 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 39 L 7.21 3.77 0.00 0.88 0.69 0.70 0.55 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 40 F 7.31 4.61 0.00 2.71 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 41 D 7.53 4.68 0.00 2.34 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 42 A 7.79 4.02 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 43 D 8.03 4.54 0.00 2.66 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 7.84 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 0.00 0.00 0.00 45 T 8.42 4.13 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 1.22 0.00 0.00 46 G 8.54 4.13 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 0.00 0.00 0.00 47 T 7.73 4.99 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 1.30 0.00 0.00 48 I 7.88 4.40 1.59 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.54 -0.09 0.00 0.00 49 D 8.21 4.92 0.00 2.72 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 50 V 8.52 3.88 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 1.12 0.00 0.00 0.93 0.00 0.00 51 K 7.88 4.14 0.00 1.88 1.91 0.00 1.55 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.50 7.81 52 E 8.34 4.03 0.00 1.40 1.20 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 2.35 2.42 0.00 53 L 7.28 3.95 0.00 1.70 1.75 0.98 1.06 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 54 K 7.76 4.11 0.00 1.74 1.79 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.43 7.81 55 V 7.68 3.73 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 1.17 0.00 0.00 0.94 0.00 0.00 56 A 8.08 4.30 1.27 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 0.00 0.00 *58 R 8.38 4.59 0.00 2.16 2.10 0.00 3.46 0.00 0.00 3.35 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.86 0.00 59 A 8.03 4.12 1.55 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 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.27 4.40 0.00 1.98 1.71 1.28 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.12 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 62 F 7.17 4.72 0.00 3.22 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 63 E 8.42 4.51 0.00 2.07 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 2.24 2.29 0.00 64 P 0.00 4.65 0.00 2.19 2.07 0.00 3.81 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 65 K 8.40 4.58 0.00 1.80 1.73 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.38 1.59 7.81 66 K 8.56 3.83 0.00 1.78 1.89 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.53 7.81 67 E 8.05 4.06 0.00 1.93 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 0.00 2.28 2.40 0.00 68 E 8.01 3.99 0.00 2.05 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 2.31 2.35 0.00 69 I 7.43 3.61 2.01 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.90 0.89 0.00 0.00 70 K 8.02 4.01 0.00 1.95 1.93 0.00 1.62 0.00 0.00 1.92 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.46 7.81 71 K 7.64 4.06 0.00 2.07 1.71 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.45 7.81 *73 I 7.78 4.10 1.93 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.71 0.90 0.00 0.00 74 S 7.72 4.05 0.00 3.98 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 75 E 8.09 4.12 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 76 I 7.84 3.84 1.88 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 1.29 0.45 0.94 0.00 0.00 77 D 7.72 4.75 0.00 2.78 2.56 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 78 K 7.86 4.18 0.00 1.78 1.87 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.34 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.60 7.81 79 E 8.00 4.53 0.00 2.10 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 2.24 2.26 0.00 80 G 7.74 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 81 T 7.84 4.19 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 1.29 0.00 0.00 82 G 9.82 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 83 K 7.49 5.36 0.00 1.86 1.86 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.50 7.81 *85 N 8.37 4.90 0.00 3.02 3.08 0.00 0.00 5.62 8.12 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 86 F 8.40 3.48 0.00 2.05 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 87 G 8.02 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 0.00 0.00 0.00 88 D 8.67 4.30 0.00 3.13 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 89 F 7.98 4.17 0.00 3.19 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 90 L 7.58 3.67 0.00 0.76 1.45 0.87 0.97 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 91 T 7.76 3.98 4.34 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 1.14 0.00 0.00 92 V 7.26 3.81 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 0.85 0.00 0.00 0.89 0.00 0.00 *94 T 7.81 4.24 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 1.19 0.00 0.00 95 Q 8.30 4.03 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.36 7.13 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 96 K 7.50 4.52 0.00 1.05 0.80 0.00 1.34 0.00 0.00 1.40 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.24 1.02 7.81 *98 S 8.03 4.42 0.00 4.03 4.16 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 99 E 7.73 3.95 0.00 1.98 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 2.29 2.44 0.00 100 K 8.36 3.80 0.00 2.12 2.04 0.00 1.63 0.00 0.00 1.54 0.00 0.00 3.10 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.66 7.81 101 D 8.03 4.35 0.00 2.84 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 T 7.66 3.88 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 1.22 0.00 0.00 103 K 8.88 4.09 0.00 1.81 1.94 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.51 7.81 104 E 8.31 4.02 0.00 2.32 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 2.36 2.38 0.00 105 E 8.19 4.34 0.00 2.17 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 2.37 2.39 0.00 106 I 7.86 3.95 1.99 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 1.47 0.80 1.15 0.00 0.00 107 L 8.28 4.17 0.00 2.13 1.86 0.94 0.41 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 0.00 108 K 9.07 3.94 0.00 1.88 2.04 0.00 1.88 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.50 7.81 109 A 8.35 4.18 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 F 8.51 3.04 0.00 2.74 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 K 8.07 3.91 0.00 2.00 1.91 0.00 1.88 0.00 0.00 1.90 0.00 0.00 3.10 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.90 1.71 7.81 112 L 7.93 4.09 0.00 1.67 1.56 0.89 0.70 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 0.00 113 F 7.85 4.07 0.00 2.66 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 0.00 114 D 7.82 4.70 0.00 2.10 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 0.00 0.00 0.00 0.00 115 D 7.57 4.71 0.00 2.78 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 0.00 116 D 7.80 4.69 0.00 2.89 2.89 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 0.00 117 E 8.08 3.86 0.00 2.13 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 2.23 2.25 0.00 118 T 7.68 4.01 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 1.30 0.00 0.00 119 G 9.37 4.13 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 0.00 0.00 0.00 120 K 7.70 5.09 0.00 1.60 1.73 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.77 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.78 7.81 121 I 9.25 4.33 1.71 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 -0.18 0.71 0.00 0.00 122 S 8.92 4.83 0.00 3.99 4.02 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 0.00 123 F 9.03 3.76 0.00 3.13 3.08 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 0.00 124 K 8.50 3.96 0.00 1.98 1.92 0.00 1.81 0.00 0.00 1.86 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.61 7.81 125 N 8.07 4.31 0.00 3.02 3.04 0.00 0.00 6.68 6.02 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 0.00 126 L 8.10 4.05 0.00 1.67 1.59 1.06 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 127 K 8.15 3.68 0.00 1.53 2.00 0.00 1.60 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.50 7.81 128 R 8.01 3.81 0.00 2.03 2.08 0.00 3.39 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.77 0.00 129 V 7.98 3.38 2.26 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 0.59 0.00 0.00 0.63 0.00 0.00 130 A 7.92 3.95 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 0.00 131 K 7.91 3.86 0.00 1.82 1.86 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.66 7.81 132 E 8.21 4.07 0.00 2.00 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 0.00 2.31 2.45 0.00 133 L 7.44 4.49 0.00 1.75 1.66 0.83 1.20 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 0.00 134 G 7.87 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 0.00 135 E 8.48 4.25 0.00 2.01 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 136 N 8.40 4.89 0.00 2.64 2.70 0.00 0.00 6.95 7.78 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 0.00 137 L 7.62 4.86 0.00 1.63 1.55 0.91 1.00 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 0.00 138 T 8.22 4.31 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 139 D 8.92 4.77 0.00 2.87 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 0.00 140 E 8.10 3.94 0.00 2.09 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 2.44 2.55 0.00 141 E 7.62 4.23 0.00 2.08 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 2.33 2.36 0.00 142 L 7.75 4.00 0.00 1.40 1.05 0.75 0.53 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 0.00 143 Q 8.97 4.40 0.00 2.34 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.18 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 144 E 7.80 4.43 0.00 2.26 2.33 0.00 0.00 0.00 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 2.29 0.00 *146 I 7.81 4.07 2.13 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 1.64 1.33 0.98 0.00 0.00 147 D 8.31 4.55 0.00 2.91 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 0.00 148 E 8.45 4.01 0.00 1.91 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 0.00 2.31 2.26 0.00 149 A 7.81 4.25 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 0.00 150 D 8.63 4.84 0.00 2.79 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 0.00 151 R 8.03 4.00 0.00 1.84 1.97 0.00 3.42 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.56 0.00 152 D 8.57 4.39 0.00 2.77 2.80 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 0.00 153 G 7.95 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 D 8.17 4.46 0.00 2.78 2.80 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 0.00 155 G 9.95 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 0.00 156 E 8.08 4.94 0.00 2.04 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 2.22 2.29 0.00 157 V 8.68 4.79 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 0.85 0.00 0.00 1.12 0.00 0.00 158 S 9.23 4.60 0.00 3.86 4.04 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 0.00 159 E 8.40 3.32 0.00 1.74 1.65 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 1.47 1.78 0.00 160 Q 7.88 3.92 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.92 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 161 E 8.26 4.20 0.00 2.11 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 162 F 8.58 4.04 0.00 3.26 3.34 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 0.00 163 L 8.58 4.12 0.00 1.78 1.76 0.94 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 164 R 8.31 4.02 0.00 2.08 2.05 0.00 3.09 0.00 0.00 3.07 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 165 I 7.65 3.65 1.88 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 1.43 0.72 0.73 0.00 0.00 *167 K 8.04 4.29 0.00 1.85 1.87 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.56 7.81 168 K 7.79 4.14 0.00 1.95 1.69 0.00 1.59 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.40 7.81 * Residues marked with a * may have inaccurate shift predictions.