NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.2084 8.4449 121.4635 55.8221 30.8002 175.0640 5 R 3.8816 7.8363 124.5249 55.5178 30.8131 174.5022 6 H 4.7071 8.4670 119.4005 54.2580 33.8335 172.5325 7 F 5.0005 8.3691 119.8400 55.8360 42.4308 174.4302 8 V 4.6815 8.4694 123.3867 61.4899 35.1611 173.5611 9 H 5.2605 8.9060 124.8322 54.7970 33.0921 172.0339 10 Q 4.9427 9.6723 123.2764 54.1862 33.4254 174.1174 11 F 5.0678 8.6343 121.8899 56.7031 42.3510 173.5892 12 K 4.1490 8.3524 125.9760 54.1603 35.0463 175.3796 13 G 4.1638 8.2877 111.5790 44.5034 0.0000 171.8771 14 E 4.8467 9.6381 126.6396 54.3243 32.8447 174.6304 15 C 5.2318 8.7969 120.9848 55.4670 40.9317 172.6690 16 Y 4.8026 9.4696 123.3075 56.2158 39.8856 174.8624 17 F 5.3785 9.2770 122.2461 55.9665 42.2249 174.5300 18 T 4.4620 8.3409 119.6592 62.3749 71.4125 173.7114 19 N 4.0923 9.5749 124.0655 54.9125 37.6532 174.0605 20 G 4.3951 7.7072 114.6025 47.0480 0.0000 172.4720 21 T 4.2992 8.4030 114.7171 61.1682 68.8805 174.1032 22 Q 4.1998 7.7525 122.4271 55.3600 29.2166 176.3535 23 R 5.3827 6.8681 129.0062 56.4258 32.6837 171.6080 24 I 4.8034 7.9081 125.7336 59.0058 40.0070 174.9411 25 R 4.6467 8.9205 126.4059 54.3152 33.6260 173.5756 26 L 5.4250 10.2561 127.2301 53.3348 45.3589 175.2073 27 V 5.8217 9.3350 125.2752 60.5540 35.3109 173.9377 28 T 5.0382 8.7171 116.6180 59.9629 72.1735 172.7941 29 R 5.0292 8.7704 122.6815 54.5998 34.6420 173.8178 30 Y 4.8330 8.3852 120.1973 56.2823 40.5944 174.7589 31 I 5.0375 8.9139 125.4245 59.5452 41.1762 173.8557 32 Y 4.8063 9.2853 128.0773 57.3173 40.6450 176.3483 33 N 4.1068 9.9476 127.2189 54.5689 37.8354 175.5328 34 R 4.5583 9.1391 120.0646 56.4796 31.6606 174.3762 35 E 4.4469 8.7237 120.4879 54.2543 30.4796 174.8050 36 E 4.6350 8.8072 128.7856 55.8158 29.3729 174.8367 37 Y 4.7088 8.2578 125.5166 57.9888 40.0496 175.3833 38 L 5.2409 6.6915 120.1309 53.3336 45.8693 175.0647 39 R 4.9163 8.6023 120.5653 55.5268 34.3519 173.0497 40 F 4.7206 8.9443 126.9535 56.2263 42.5464 173.1377 41 D 5.0983 7.3991 124.4876 52.5257 43.7191 175.4932 42 S 4.0734 9.0252 123.1013 62.2976 62.7478 175.8593 43 D 4.3537 8.8117 118.1694 57.4395 40.0355 177.9984 44 V 3.4627 6.9519 117.6672 62.5637 32.1236 175.0587 45 G 3.4902 7.4017 114.9970 44.9895 0.0000 173.1562 46 E 4.8641 7.2565 115.9323 53.7379 32.8292 174.7266 47 Y 4.5120 9.1282 117.4054 58.5989 38.7243 175.9737 48 R 4.8720 9.2573 119.8738 54.6078 35.3002 173.9066 49 A 4.8612 8.6174 122.9576 51.5724 19.2872 177.3711 50 V 4.1727 10.9059 121.8930 63.7748 33.0065 175.6456 51 T 4.7293 7.5997 110.6865 60.8437 70.1786 172.8300 52 E 4.1411 8.4690 117.4543 59.4825 30.0011 179.0637 53 L 3.6959 7.6911 118.5432 57.3781 41.9026 178.4956 54 G 4.0857 8.0179 105.2978 45.1500 0.0000 174.9229 55 R 3.7449 9.0581 119.4208 60.3074 29.7097 177.2719 56 H 4.6090 7.9492 114.3417 57.5055 29.3716 177.5813 57 S 4.3206 8.2611 116.9240 61.8695 62.5317 175.7372 58 A 4.0551 8.0303 123.4040 55.0208 18.1711 178.9271 59 E 3.9158 8.3568 116.3214 59.6322 29.5160 179.0353 60 Y 4.1812 7.9007 118.2360 60.9773 39.0622 177.0536 61 Y 3.3590 8.1530 117.3348 60.7393 37.5106 178.7408 62 N 4.4849 7.8324 116.4233 56.3427 38.9309 176.7833 63 K 3.8477 7.2502 118.1005 59.4659 32.5228 177.7658 64 Q 3.6926 7.6378 117.2578 57.3776 29.1983 177.2384 *67 Y 5.0599 7.5680 115.4621 58.3949 39.9383 177.4971 68 L 3.9385 7.8496 120.2758 58.1688 42.4943 177.7526 69 E 3.8451 8.5879 118.1439 59.3167 29.5846 178.9671 70 R 4.0583 7.8686 116.3958 59.9144 30.7424 178.3433 71 T 3.9786 8.2271 116.7553 66.2926 68.3178 176.5820 72 R 4.1684 8.2921 119.1105 59.1870 30.5458 178.1607 73 A 4.3519 8.0688 119.6349 53.7026 18.5345 178.8462 74 E 4.3499 8.5864 118.5449 57.9082 29.4780 178.6680 75 L 4.0543 8.0105 120.8036 57.2119 42.8009 177.3360 76 D 4.6710 8.1436 116.7312 56.3186 42.3861 178.4292 77 T 3.9863 8.0187 109.2826 64.2998 68.5145 174.0660 78 A 4.5441 8.1090 120.8171 54.6789 20.8014 177.3747 79 C 4.5747 8.2723 114.4859 58.5026 38.3406 175.7837 80 R 4.0067 8.3394 120.4597 61.1930 30.0301 177.4965 81 H 4.0339 9.0812 116.8601 59.4144 29.1362 176.5750 82 N 4.3550 8.6023 116.4656 57.3582 38.9412 175.9805 83 Y 3.8041 8.4640 119.8036 61.8283 38.5351 178.3715 84 E 4.1348 8.8181 120.7988 59.3521 29.9402 178.8178 84A E 4.3130 9.0037 118.5971 57.6748 29.8911 177.7399 85 T 4.4112 8.9004 109.2991 62.6300 70.5135 176.3435 86 E 3.7320 7.9331 121.1369 58.9744 29.2308 179.1388 87 V 3.4218 7.4905 117.4390 65.3432 31.5280 175.1084 88 P 4.5382 0.0000 0.0000 63.9377 33.3163 176.2618 89 T 4.1883 7.6036 106.1523 61.7712 68.9341 175.9530 90 S 4.1517 9.2072 116.9638 61.7629 63.7719 176.6014 91 L 4.2146 7.8531 118.1673 56.3686 41.4817 177.9705 92 R 4.3045 8.3489 118.9049 57.0197 31.1702 176.5780 93 R 3.8179 7.3528 116.8476 57.0412 30.1911 176.2491 94 L 4.8907 8.1846 123.8446 53.2663 43.0915 173.5755 95 E 4.5472 9.4061 121.9074 54.6057 30.5842 175.7331 96 Q 4.9626 9.0585 124.0035 55.2738 29.7645 174.9378 97 P 5.1733 0.0000 0.0000 61.8790 34.2803 173.9122 98 N 5.0970 8.9460 115.9726 51.5645 41.7985 174.0832 99 V 5.0872 8.7009 122.5104 60.3531 34.2902 174.5224 100 A 4.7398 8.3764 127.1730 50.9079 22.7429 174.6322 101 I 4.9377 8.5471 122.8159 59.9713 39.1718 175.2611 102 S 4.9380 8.8136 121.8346 56.5684 67.3553 172.3693 103 L 4.6050 8.2301 122.5323 53.4908 43.3353 175.6336 104 S 4.2660 8.9803 123.9226 61.4438 62.7765 175.0975 105 R 4.5055 7.7297 115.9031 55.4199 33.6472 175.4605 106 T 3.4989 8.3647 117.2674 63.0459 67.1749 173.2594 107 E 3.4655 8.6652 123.2868 57.2953 28.7673 173.9631 108 A 4.7874 8.1883 121.4118 50.4522 21.3528 176.6493 109 L 4.1213 8.5460 123.3516 57.5848 42.0348 175.9785 110 N 4.0769 7.7175 117.8998 54.5210 39.9352 173.3369 111 H 4.7944 7.7451 115.7736 53.5744 31.3133 174.0845 112 H 4.2650 8.4108 114.9445 56.5744 28.7395 174.2573 113 N 5.2624 9.1145 121.0394 51.3873 43.3939 173.5071 114 T 5.2965 7.7020 108.2606 60.0906 72.1018 172.8709 115 L 4.3654 7.8562 126.1341 53.6245 43.7158 175.9571 116 V 4.7335 8.6289 124.4871 60.8515 32.2584 173.5541 117 C 4.9084 9.6863 126.8521 56.6271 39.4867 172.4971 118 S 4.4824 9.1336 120.5100 56.8410 65.8353 173.1227 119 V 4.5757 8.7199 126.7061 61.9718 32.2254 174.7734 120 T 5.0660 8.8804 118.2808 59.6402 72.6380 173.2047 121 D 4.1229 8.5576 118.3692 55.3515 38.5885 173.8456 122 F 5.6582 7.0598 113.0281 54.7293 40.4634 173.6579 123 Y 5.1236 8.1598 120.5882 56.6662 41.2649 172.4555 124 P 3.2584 0.0000 0.0000 62.4240 31.4456 176.1862 125 A 4.3289 8.0853 121.7812 52.1729 19.2544 176.9091 126 K 4.1336 7.7024 118.8706 56.3384 32.4733 175.9087 127 I 4.5954 7.9539 126.2791 59.6763 41.3387 173.3683 128 K 4.5532 9.1901 128.5154 54.6236 34.8730 175.0538 129 V 4.9956 8.0323 126.5535 61.3251 34.8463 174.4965 130 R 4.4661 8.2342 118.7923 55.3871 32.9204 174.1199 131 W 5.1997 8.4131 121.0640 56.0646 32.0250 174.9079 132 F 5.1968 9.4026 118.5665 56.5044 43.6154 174.1310 133 R 4.6110 9.9508 124.7357 54.3585 30.9932 174.5207 134 N 4.3005 9.4127 126.7228 54.0399 35.8181 175.9446 135 G 3.8470 8.0106 103.0644 45.8602 0.0000 172.2415 136 Q 4.6404 7.6325 119.3922 53.8876 30.1365 174.7844 137 E 3.5777 8.9897 122.3014 56.4122 29.4448 176.9706 138 E 4.2048 8.0943 125.1520 56.0347 28.7954 177.2422 139 T 3.9993 8.5272 115.2376 63.6696 69.3729 175.2926 140 V 4.3412 7.5065 119.6956 61.4817 34.2711 174.7977 141 G 3.9925 8.7686 112.4480 45.4167 0.0000 174.0140 142 V 4.6257 7.6241 118.7267 62.4422 32.6223 175.3002 143 S 4.8120 8.1608 116.9480 57.8513 65.5626 174.2831 144 S 5.3300 8.5339 115.5647 56.9831 66.3634 173.1836 145 T 4.3553 8.3388 110.8369 60.8192 70.0536 174.9407 146 Q 4.0178 9.0173 122.3424 56.9262 28.5668 175.4973 147 L 3.7055 7.4186 123.8709 51.3978 43.3613 175.8633 148 I 4.4460 8.4554 127.5545 59.8485 39.9750 174.8963 149 R 4.3378 8.4502 126.8008 54.5978 30.3383 176.1456 150 N 4.1809 8.3256 125.0734 54.6636 38.7049 177.0760 151 G 3.8642 7.4955 104.9194 45.1926 0.0000 173.4550 152 D 4.9443 7.5080 118.1869 52.8499 40.0460 175.8617 153 W 3.1472 8.1887 115.4756 58.1634 26.3801 173.9758 154 T 4.8129 6.9577 105.2810 60.8309 71.9087 172.5154 155 F 5.3486 8.6210 121.3079 55.7960 43.4855 173.4941 156 Q 4.8855 8.3720 117.0683 55.3510 32.6799 173.9060 157 V 4.5416 7.6611 117.8543 61.6565 34.8529 170.5750 158 L 5.2096 8.0707 122.9851 53.0752 44.9530 175.5035 159 V 4.5627 8.4953 123.2700 61.3887 33.1339 174.8401 160 M 4.8818 8.9717 127.8443 54.8876 34.0011 175.6966 161 L 4.3218 8.1611 121.9261 53.2657 44.9847 174.7679 162 E 4.4898 8.5242 129.4274 56.4041 29.9478 175.7086 163 M 4.5890 8.9549 123.4839 54.7043 35.2445 173.7872 164 T 4.9372 8.2513 116.7388 61.0937 70.6981 172.3382 165 P 4.8681 0.0000 0.0000 62.0847 32.7851 174.9249 166 H 5.1575 9.2640 119.0093 55.9555 28.8843 175.3390 167 Q 4.4159 8.6838 128.3089 56.7508 31.5677 174.8698 168 G 3.9837 9.1072 112.9234 45.1885 0.0000 173.2525 169 E 4.3289 7.6813 118.5422 55.9036 30.5257 176.0135 170 V 4.6684 8.8511 121.5651 61.3872 35.1467 173.6414 171 Y 5.4680 9.1337 125.1832 56.7090 40.7269 174.7056 172 T 5.1651 9.4146 121.0080 62.0392 71.8491 172.6563 173 C 4.1319 8.8552 126.8968 54.8314 42.4490 171.3144 174 H 4.6442 9.0568 126.9245 55.7469 31.0629 173.8907 175 V 4.6858 8.9175 125.8138 61.1830 34.3634 173.8050 176 E 4.9490 9.4315 128.0441 55.1080 32.6303 174.6078 177 H 4.8256 8.3576 120.5771 54.5962 32.8551 172.5998 178 P 4.3122 0.0000 0.0000 65.5770 31.5950 178.2651 179 S 4.3289 8.6315 112.2728 60.1237 63.3487 173.6501 180 L 4.8981 7.4920 120.7865 52.8672 43.0875 176.4503 181 K 4.0700 8.6512 124.5240 58.7379 32.6197 176.7154 182 S 4.8240 7.5441 112.3160 55.4812 65.0930 171.9248 183 P 4.4770 0.0000 0.0000 62.6268 32.0932 176.0440 184 I 4.1898 8.1911 124.5116 61.1681 38.4200 175.0285 185 T 4.9999 8.4102 115.9105 59.8215 71.6757 173.4663 186 V 4.3715 8.1555 123.2598 61.3220 34.3281 174.7978 187 E 5.1204 8.9474 127.3986 55.9632 31.4229 175.9317 188 W 5.0776 8.9128 129.7887 56.5879 34.5230 173.5100 189 R 4.6645 7.5876 124.8746 53.2853 33.2198 175.5421 190 A 3.9637 7.9100 124.6208 51.7080 18.4088 177.7477 191 Q 4.0867 7.6027 124.8155 57.1484 28.7077 177.4153 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 E 8.44 4.21 0.00 1.93 1.90 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 2.16 2.28 0.00 5 R 7.84 3.88 0.00 1.71 1.59 0.00 3.21 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 6 H 8.47 4.71 0.00 2.93 2.99 0.00 5.64 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 F 8.37 5.00 0.00 3.11 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 8 V 8.47 4.68 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 0.96 0.00 0.00 0.92 0.00 0.00 9 H 8.91 5.26 0.00 3.45 3.24 0.00 5.72 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Q 9.67 4.94 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.54 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 11 F 8.63 5.07 0.00 2.85 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 12 K 8.35 4.15 0.00 1.43 1.45 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.20 1.18 7.81 13 G 8.29 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 0.00 0.00 0.00 14 E 9.64 4.85 0.00 2.08 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 2.15 2.39 0.00 15 C 8.80 5.23 0.00 3.10 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 16 Y 9.47 4.80 0.00 2.76 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 F 9.28 5.38 0.00 2.76 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 18 T 8.34 4.46 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 1.24 0.00 0.00 19 N 9.57 4.09 0.00 2.96 2.79 0.00 0.00 7.10 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 20 G 7.71 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 0.00 0.00 0.00 0.00 21 T 8.40 4.30 4.19 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 0.95 0.00 0.00 22 Q 7.75 4.20 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.32 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 23 R 6.87 5.38 0.00 2.00 2.06 0.00 3.17 0.00 0.00 3.34 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.37 0.00 24 I 7.91 4.80 1.75 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 0.84 0.66 0.57 0.00 0.00 25 R 8.92 4.65 0.00 1.74 1.69 0.00 2.93 0.00 0.00 2.80 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.59 0.00 26 L 10.26 5.42 0.00 1.79 1.57 1.06 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 27 V 9.34 5.82 2.19 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 1.01 0.00 0.00 0.88 0.00 0.00 28 T 8.72 5.04 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 29 R 8.77 5.03 0.00 1.54 1.73 0.00 3.00 0.00 0.00 3.34 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.50 0.00 30 Y 8.39 4.83 0.00 2.37 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 31 I 8.91 5.04 1.87 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.85 1.04 0.00 0.00 32 Y 9.29 4.81 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 33 N 9.95 4.11 0.00 2.56 2.14 0.00 0.00 6.86 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 R 9.14 4.56 0.00 1.75 1.88 0.00 3.14 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 35 E 8.72 4.45 0.00 2.03 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 2.37 2.31 0.00 36 E 8.81 4.64 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 2.25 2.24 0.00 37 Y 8.26 4.71 0.00 3.16 3.23 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 38 L 6.69 5.24 0.00 1.83 1.12 1.19 -0.41 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 39 R 8.60 4.92 0.00 2.07 1.70 0.00 3.04 0.00 0.00 3.05 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.65 0.00 40 F 8.94 4.72 0.00 2.13 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 41 D 7.40 5.10 0.00 2.56 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 0.00 0.00 0.00 42 S 9.03 4.07 0.00 3.77 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 43 D 8.81 4.35 0.00 2.67 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 44 V 6.95 3.46 1.96 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 72 R 8.29 4.17 0.00 1.96 2.14 0.00 3.26 0.00 0.00 3.34 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.18 0.00 73 A 8.07 4.35 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 74 E 8.59 4.35 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 75 L 8.01 4.05 0.00 1.80 1.69 0.98 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 76 D 8.14 4.67 0.00 2.76 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 T 8.02 3.99 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 1.26 0.00 0.00 78 A 8.11 4.54 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 79 C 8.27 4.57 0.00 3.19 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 104 S 8.98 4.27 0.00 3.75 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 R 7.73 4.51 0.00 1.83 1.76 0.00 3.18 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 106 T 8.36 3.50 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 1.23 0.00 0.00 107 E 8.67 3.47 0.00 2.06 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 108 A 8.19 4.79 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 0.00 109 L 8.55 4.12 0.00 1.70 1.74 0.81 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 110 N 7.72 4.08 0.00 2.83 3.03 0.00 0.00 7.31 7.89 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 0.00 111 H 7.75 4.79 0.00 2.94 3.07 0.00 5.95 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 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 0.00 121 D 8.56 4.12 0.00 2.89 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 0.00 122 F 7.06 5.66 0.00 3.26 3.15 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 0.00 123 Y 8.16 5.12 0.00 3.15 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 0.00 124 P 0.00 3.26 0.00 1.96 1.62 0.00 3.93 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.91 0.00 125 A 8.09 4.33 0.20 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 0.00 0.00 126 K 7.70 4.13 0.00 1.69 1.62 0.00 1.75 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.36 7.81 127 I 7.95 4.60 1.63 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.89 0.82 0.00 0.00 128 K 9.19 4.55 0.00 1.74 1.56 0.00 1.62 0.00 0.00 1.91 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.32 7.81 129 V 8.03 5.00 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 0.70 0.00 0.00 0.80 0.00 0.00 130 R 8.23 4.47 0.00 1.66 1.87 0.00 2.77 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.62 0.00 131 W 8.41 5.20 0.00 3.29 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 0.00 132 F 9.40 5.20 0.00 3.21 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 0.00 133 R 9.95 4.61 0.00 2.01 1.86 0.00 3.58 0.00 0.00 3.50 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.90 0.00 134 N 9.41 4.30 0.00 2.88 2.84 0.00 0.00 6.95 7.26 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 0.00 135 G 8.01 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 Q 7.63 4.64 0.00 2.46 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 137 E 8.99 3.58 0.00 2.00 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 1.72 2.35 0.00 138 E 8.09 4.20 0.00 2.00 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 2.50 2.52 0.00 139 T 8.53 4.00 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 0.00 140 V 7.51 4.34 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 0.82 0.00 0.00 0.92 0.00 0.00 141 G 8.77 3.99 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 0.00 0.00 0.00 142 V 7.62 4.63 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 1.29 0.00 0.00 0.98 0.00 0.00 143 S 8.16 4.81 0.00 3.86 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 S 8.53 5.33 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 0.00 145 T 8.34 4.36 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 1.31 0.00 0.00 146 Q 9.02 4.02 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 147 L 7.42 3.71 0.00 1.69 1.49 0.76 0.87 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 0.00 148 I 8.46 4.45 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.58 0.92 0.00 0.00 149 R 8.45 4.34 0.00 2.15 1.87 0.00 3.15 0.00 0.00 3.19 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.34 0.00 150 N 8.33 4.18 0.00 2.91 2.80 0.00 0.00 7.11 6.96 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 0.00 151 G 7.50 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 D 7.51 4.94 0.00 2.79 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 W 8.19 3.15 0.00 3.26 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 T 6.96 4.81 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 1.29 0.00 0.00 155 F 8.62 5.35 0.00 1.84 2.55 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 0.00 156 Q 8.37 4.89 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 7.00 0.00 0.00 0.00 0.00 0.00 2.22 2.33 0.00 157 V 7.66 4.54 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 0.86 0.00 0.00 1.04 0.00 0.00 158 L 8.07 5.21 0.00 1.68 1.64 0.98 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 159 V 8.50 4.56 2.21 0.00 0.00 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 0.96 0.00 0.00 160 M 8.97 4.88 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.50 0.00 161 L 8.16 4.32 0.00 0.27 0.19 0.66 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 162 E 8.52 4.49 0.00 1.89 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 2.24 2.20 0.00 163 M 8.95 4.59 0.00 1.73 1.74 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.51 0.00 164 T 8.25 4.94 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 165 P 0.00 4.87 0.00 2.31 2.35 0.00 3.77 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 2.13 2.06 0.00 166 H 9.26 5.16 0.00 3.21 2.85 0.00 5.60 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 Q 8.68 4.42 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.59 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 168 G 9.11 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 0.00 169 E 7.68 4.33 0.00 2.09 1.76 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 2.32 2.39 0.00 170 V 8.85 4.67 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 1.17 0.00 0.00 0.92 0.00 0.00 171 Y 9.13 5.47 0.00 3.40 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 T 9.41 5.17 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 1.28 0.00 0.00 173 C 8.86 4.13 0.00 1.54 2.55 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 0.00 174 H 9.06 4.64 0.00 3.62 3.47 0.00 5.77 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 V 8.92 4.69 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 0.77 0.00 0.00 0.76 0.00 0.00 176 E 9.43 4.95 0.00 1.87 1.78 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 2.21 2.24 0.00 177 H 8.36 4.83 0.00 3.03 2.99 0.00 5.68 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 0.00 178 P 0.00 4.31 0.00 2.03 2.08 0.00 2.97 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.99 0.00 179 S 8.63 4.33 0.00 4.06 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 0.00 180 L 7.49 4.90 0.00 1.80 1.77 0.91 0.85 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 0.00 181 K 8.65 4.07 0.00 1.72 1.82 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.42 7.81 182 S 7.54 4.82 0.00 3.97 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 0.00 183 P 0.00 4.48 0.00 1.78 1.91 0.00 3.65 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 184 I 8.19 4.19 1.80 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 1.25 0.49 0.87 0.00 0.00 185 T 8.41 5.00 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 186 V 8.16 4.37 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 1.05 0.00 0.00 0.92 0.00 0.00 187 E 8.95 5.12 0.00 1.97 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 2.38 2.36 0.00 188 W 8.91 5.08 0.00 3.65 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 R 7.59 4.66 0.00 1.41 1.58 0.00 3.19 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 190 A 7.91 3.96 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 0.00 191 Q 7.60 4.09 0.00 1.92 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.60 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.