NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 T 4.3354 8.2745 112.9183 61.1100 70.6739 174.7840 10 K 4.5217 8.3754 122.2987 53.0162 33.0386 176.3170 *11 F 4.0288 8.0412 121.1403 58.4687 41.1043 179.7718 12 R 3.6163 8.8800 122.2321 58.4319 27.8482 179.1892 13 I 3.0473 8.0931 109.8594 64.6787 31.1878 173.6629 14 S 3.9409 7.5503 118.6030 58.0109 62.7396 177.1260 15 L 4.5464 8.4364 126.6600 53.5271 41.5023 172.5795 16 G 4.2469 8.6284 109.9430 47.0690 0.0000 174.5501 17 L 4.1781 7.8724 123.2696 53.3398 39.3113 176.6522 18 P 4.7310 0.0000 0.0000 60.9238 31.0638 173.8360 19 V 3.9851 7.8853 124.4391 60.7510 30.7092 172.9400 20 G 4.8852 7.9257 127.0700 45.5627 0.0000 169.9096 21 A 4.6479 7.2220 125.6925 51.0846 21.2560 177.1614 22 I 4.6162 8.3912 123.7907 59.9342 37.2302 174.9859 23 M 4.5156 8.8026 132.0972 53.2670 32.4218 172.6309 24 N 4.6159 8.5693 127.2977 53.7807 38.7367 170.4666 25 C 5.3258 8.3968 121.6316 52.8047 41.8174 170.3648 26 A 4.5181 8.3778 124.5778 51.4469 20.6685 177.4311 27 D 4.8803 8.0864 119.8615 53.8563 37.5308 180.4541 28 N 4.9822 8.1423 125.1637 53.0438 35.2866 175.9756 29 S 4.7366 8.8269 116.6525 57.0514 65.2955 174.5707 30 G 3.4249 7.5138 108.8634 46.3873 0.0000 171.8250 31 A 4.0059 7.8985 127.8940 52.0928 18.3277 177.3931 32 R 4.2387 8.6693 124.1330 60.5356 30.7286 176.0375 33 N 5.1920 8.1048 120.0173 51.6823 42.2811 175.9485 34 L 4.9416 8.8163 127.0318 53.7616 44.2934 174.8030 *35 Y 4.6943 8.6459 121.9975 56.3777 40.5040 176.5177 36 I 4.0643 8.2658 128.4614 60.8464 35.2042 173.6839 37 I 4.1988 8.9633 128.9359 61.5539 36.6528 171.8063 38 A 4.5621 7.5458 122.4927 52.5850 22.7992 175.7579 39 V 4.3562 8.0768 117.6100 62.7039 35.7902 173.6774 40 K 4.0442 8.1534 119.4030 53.1117 33.2801 175.7955 41 G 4.0789 8.4280 107.5523 44.7720 0.0000 172.7497 42 S 4.3522 7.8693 115.1111 58.4453 64.2472 177.9885 43 G 4.1643 7.9853 113.9248 46.2973 0.0000 177.6716 44 S 5.1704 8.4555 129.7937 58.9256 64.6458 175.7855 45 R 4.6771 7.6190 125.3881 54.7056 32.8235 174.0888 46 L 4.4552 8.6513 122.5560 53.0456 40.0634 179.9074 47 N 5.4058 10.1759 133.2395 54.5020 40.3302 178.9303 48 R 4.1190 7.5946 119.8284 56.7383 27.6599 179.4852 49 L 4.0703 8.4362 127.4504 54.6731 41.6601 174.6658 50 P 4.2587 0.0000 0.0000 63.0535 31.5434 172.0882 51 A 5.6301 8.4285 126.7865 49.2783 22.5654 174.2335 52 A 4.5406 8.7395 119.4643 51.3242 21.8118 176.6085 53 S 4.8580 8.6567 121.8433 57.2399 64.1712 172.9577 54 L 4.4055 8.4491 125.2500 52.4523 38.8226 177.4523 55 G 4.2910 7.5227 122.5173 45.2839 0.0000 170.8950 56 D 4.6269 7.2188 130.9536 54.4934 43.3715 176.2522 57 M 5.4001 7.8632 124.7542 53.7613 29.6551 174.8942 58 V 4.5523 7.7870 123.7169 61.9557 33.4787 177.0009 59 M 4.5796 8.7022 127.2277 54.1341 32.6469 171.8900 60 A 5.2395 9.1852 126.8658 50.4610 23.5879 175.6913 61 T 5.1060 8.5511 115.4225 60.0392 71.1379 176.0829 62 V 4.1746 8.3061 123.9054 62.1397 32.3456 177.5962 63 K 4.3228 9.2106 132.3624 56.5890 31.5600 176.3511 64 K 4.6615 7.4196 119.8938 53.2241 37.3400 179.9023 65 G 3.7343 9.3708 112.4849 48.2802 0.0000 176.6324 66 K 4.2397 8.9229 124.0895 54.1408 30.7169 178.3379 67 P 4.5038 0.0000 0.0000 65.6008 31.0614 179.5896 68 E 4.2746 8.2925 113.6606 58.1319 29.8719 181.1876 69 L 4.6750 8.2303 117.9391 55.4563 42.9165 183.7448 70 R 4.1871 7.5506 116.8746 58.7700 29.9783 183.0304 71 K 3.8540 8.8955 117.9659 57.4871 29.0922 170.3841 72 K 4.8902 7.7810 122.9129 55.2992 36.9811 178.6297 73 V 4.7140 8.4779 119.0594 61.9324 33.9045 174.1759 74 M 4.9158 9.3294 128.1476 52.0137 34.3709 170.5446 75 P 4.7148 0.0000 0.0000 62.6410 32.1735 175.0257 76 A 5.0242 8.4658 129.6868 49.8669 22.3888 176.0776 77 I 4.5608 8.6034 123.8942 60.3449 37.8651 174.0413 78 V 4.4644 7.5100 122.1901 61.0684 34.9648 177.6903 79 V 4.3353 7.1228 115.5724 60.2665 32.3688 176.3424 80 R 5.0760 7.4390 122.8200 57.1504 32.4788 179.0429 81 Q 4.7041 8.0968 128.0878 53.0194 27.8240 177.5016 82 A 5.0463 8.7467 131.7796 54.9200 16.3661 178.9585 83 K 4.2214 7.5635 120.0310 54.6403 32.5924 180.1673 84 S 4.7135 8.5332 121.8956 56.6624 62.2415 172.8652 *85 W 3.8501 8.0778 130.4795 55.4026 28.5097 171.4280 86 R 4.0801 7.9478 129.8758 57.6523 25.5697 178.2405 87 R 4.7230 7.7004 125.0267 54.0022 32.7554 177.1685 88 R 3.5640 8.5021 115.2684 61.7423 29.7346 175.1820 89 D 4.4190 8.1168 115.2106 57.7614 40.0192 178.7261 90 G 3.5435 9.4002 106.3381 45.0693 0.0000 171.2340 91 V 3.1305 8.6455 123.6560 61.0277 29.8890 168.2746 *92 F 4.4869 8.6150 125.9284 55.5145 38.9176 172.4424 93 L 4.8436 8.3411 126.6441 52.4151 44.1476 175.8058 *94 Y 4.4763 8.1611 122.7918 55.9195 36.3278 174.8372 *95 F 4.2641 9.7796 116.5562 59.3894 36.0823 174.9669 96 E 3.9858 7.8515 120.6908 57.9659 31.1576 178.6015 97 D 4.2761 9.2037 132.8624 52.7045 42.7565 176.5171 98 N 5.5911 10.1686 124.3651 55.1747 36.6250 173.8154 99 A 5.4431 8.0023 133.6822 49.6861 19.7811 175.1846 100 G 4.3476 8.2450 106.3028 45.6840 0.0000 172.4716 101 V 4.3665 7.7317 120.5767 59.8262 33.9104 177.6726 102 I 4.7526 7.8701 120.8350 58.6090 34.5177 177.0886 103 A 4.3256 7.6942 134.7561 52.6286 19.5159 175.7137 104 N 5.1759 7.9970 112.5042 50.9852 41.6855 169.6534 105 P 4.4657 0.0000 0.0000 65.4499 30.4956 173.6875 106 K 3.9316 8.5650 123.1002 57.4242 32.3453 179.7856 107 G 4.5519 8.6381 106.4743 45.4597 0.0000 174.2459 108 E 4.0317 8.4460 119.5308 56.4560 30.4892 182.9809 109 M 4.6959 8.5245 125.2745 54.3423 31.9771 174.3785 110 K 4.3680 8.5501 120.1425 56.1659 31.6169 173.2012 111 G 4.4209 8.1120 116.0816 46.2601 0.0000 178.1913 112 S 4.1182 7.7454 110.3353 58.7902 61.7707 179.4799 113 A 4.5359 8.7462 115.5698 52.2840 21.8964 177.7108 114 I 3.6184 8.1881 122.5628 62.2027 36.0623 177.9485 115 T 4.1639 8.1447 123.1098 62.5679 68.2636 170.8813 116 G 3.6899 9.0242 117.0084 42.7838 0.0000 169.5088 117 P 4.4500 0.0000 0.0000 64.3858 30.9014 172.6680 118 V 4.5187 9.4239 124.2174 58.3776 35.8732 171.8148 119 G 4.1032 8.7212 114.0257 45.6465 0.0000 175.5750 120 K 4.3737 8.9927 130.4458 59.4212 31.7257 178.2406 121 E 4.3339 8.1933 120.0614 62.4998 29.9700 185.0000 122 C 4.4321 8.2338 119.0331 59.9648 39.7113 178.2016 123 A 4.1858 7.9092 123.4943 56.8191 18.1514 179.4156 124 D 4.3687 8.5328 120.6860 58.9442 39.7416 181.2701 125 L 3.7705 7.9700 122.5280 56.5781 41.6828 180.4155 *126 W 4.5217 8.4168 129.0752 54.0646 29.0914 177.9057 127 P 4.3886 0.0000 0.0000 64.7365 30.7175 176.4152 128 R 4.2994 8.4127 118.6636 60.4108 29.3536 181.5892 129 V 4.0012 7.5343 115.7906 64.2432 31.7536 179.2818 130 A 4.3641 9.4748 124.5252 55.4685 17.9020 180.8307 131 S 3.6705 8.2995 114.5160 64.6221 62.7566 177.8626 132 N 4.5552 8.8695 123.6114 55.9994 38.1940 179.9765 133 S 4.1310 7.9286 113.0002 61.0175 62.7084 182.1588 134 G 3.9748 8.4831 109.7833 48.2704 0.0000 174.5570 135 V 4.0653 9.4404 113.4749 61.8170 33.6834 181.0785 136 V 4.3723 8.8047 123.4926 61.8082 33.6459 175.2070 137 V 5.1949 8.2517 123.8001 59.9153 31.8362 172.3171 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 9 T 8.27 4.34 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 1.21 0.00 0.00 10 K 8.38 4.52 0.00 1.80 1.59 0.00 1.82 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.26 1.07 7.81 *11 F 8.04 4.03 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.88 3.62 0.00 1.99 1.27 0.00 3.30 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.18 0.00 13 I 8.09 3.05 1.87 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 1.27 0.97 0.91 0.00 0.00 14 S 7.55 3.94 0.00 3.63 3.68 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 15 L 8.44 4.55 0.00 1.66 1.48 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.63 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 0.00 0.00 0.00 0.00 17 L 7.87 4.18 0.00 1.59 1.60 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.73 0.00 1.99 1.98 0.00 3.74 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.57 0.00 19 V 7.89 3.99 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 0.84 0.00 0.00 0.93 0.00 0.00 20 G 7.93 4.89 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 0.00 0.00 0.00 21 A 7.22 4.65 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 22 I 8.39 4.62 1.87 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 1.20 0.81 0.91 0.00 0.00 23 M 8.80 4.52 0.00 1.72 2.01 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.36 0.00 24 N 8.57 4.62 0.00 2.37 2.77 0.00 0.00 6.65 7.55 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 25 C 8.40 5.33 0.00 2.58 2.86 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 26 A 8.38 4.52 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 27 D 8.09 4.88 0.00 2.62 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 28 N 8.14 4.98 0.00 2.73 2.68 0.00 0.00 6.66 7.64 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 29 S 8.83 4.74 0.00 3.58 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 7.51 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 A 7.90 4.01 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 32 R 8.67 4.24 0.00 1.52 1.96 0.00 3.22 0.00 0.00 3.37 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.22 0.00 33 N 8.10 5.19 0.00 2.34 2.62 0.00 0.00 6.87 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 34 L 8.82 4.94 0.00 1.34 1.55 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 *35 Y 8.65 4.69 0.00 1.95 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 8.27 4.06 1.87 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 1.09 1.10 0.91 0.00 0.00 37 I 8.96 4.20 1.87 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 1.16 1.13 0.91 0.00 0.00 38 A 7.55 4.56 1.22 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 39 V 8.08 4.36 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 0.75 0.00 0.00 0.93 0.00 0.00 40 K 8.15 4.04 0.00 1.62 1.55 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.70 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.37 1.33 7.81 41 G 8.43 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 42 S 7.87 4.35 0.00 3.66 3.72 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 43 G 7.99 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 44 S 8.46 5.17 0.00 3.65 3.69 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 45 R 7.62 4.68 0.00 1.68 1.75 0.00 3.23 0.00 0.00 3.37 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.16 0.00 46 L 8.65 4.46 0.00 1.66 1.60 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 47 N 10.18 5.41 0.00 2.86 2.80 0.00 0.00 6.75 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 48 R 7.59 4.12 0.00 1.82 1.80 0.00 3.26 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 49 L 8.44 4.07 0.00 1.42 1.57 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.26 0.00 1.75 2.00 0.00 3.63 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.63 0.00 51 A 8.43 5.63 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.74 4.54 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 S 8.66 4.86 0.00 3.64 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.45 4.41 0.00 1.66 1.55 0.92 0.76 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 55 G 7.52 4.29 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 0.00 56 D 7.22 4.63 0.00 2.40 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 M 7.86 5.40 0.00 1.70 2.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 1.95 0.00 58 V 7.79 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 0.52 0.00 0.00 0.93 0.00 0.00 59 M 8.70 4.58 0.00 1.70 1.98 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.12 0.00 60 A 9.19 5.24 1.22 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 61 T 8.55 5.11 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 1.21 0.00 0.00 62 V 8.31 4.17 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 0.85 0.00 0.00 0.93 0.00 0.00 63 K 9.21 4.32 0.00 1.52 1.68 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 1.26 7.81 64 K 7.42 4.66 0.00 1.70 1.55 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.24 0.98 7.81 65 G 9.37 3.73 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 0.00 0.00 0.00 66 K 8.92 4.24 0.00 1.69 1.76 0.00 1.82 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.02 7.81 67 P 0.00 4.50 0.00 1.98 2.12 0.00 3.69 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.62 0.00 68 E 8.29 4.27 0.00 1.98 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 2.23 1.87 0.00 69 L 8.23 4.68 0.00 1.57 1.56 0.92 0.88 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 70 R 7.55 4.19 0.00 1.85 1.89 0.00 3.38 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.45 0.00 71 K 8.90 3.85 0.00 1.85 1.72 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 0.98 7.81 72 K 7.78 4.89 0.00 1.40 1.64 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.26 1.24 7.81 73 V 8.48 4.71 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 0.88 0.00 0.00 0.93 0.00 0.00 74 M 9.33 4.92 0.00 1.60 1.90 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 75 P 0.00 4.71 0.00 1.76 1.98 0.00 3.64 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.60 0.00 76 A 8.47 5.02 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 77 I 8.60 4.56 1.87 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 1.09 0.74 0.91 0.00 0.00 78 V 7.51 4.46 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 0.84 0.00 0.00 0.93 0.00 0.00 79 V 7.12 4.34 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 0.78 0.00 0.00 0.93 0.00 0.00 80 R 7.44 5.08 0.00 1.71 1.83 0.00 3.22 0.00 0.00 3.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.98 0.00 81 Q 8.10 4.70 0.00 2.06 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.26 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 82 A 8.75 5.05 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 83 K 7.56 4.22 0.00 1.79 1.60 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.36 1.00 7.81 84 S 8.53 4.71 0.00 3.62 3.69 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 *85 W 8.08 3.85 0.00 2.51 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 0.00 0.00 0.00 86 R 7.95 4.08 0.00 2.01 1.99 0.00 3.09 0.00 0.00 2.25 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.13 0.00 87 R 7.70 4.72 0.00 1.70 1.83 0.00 3.25 0.00 0.00 3.37 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.15 0.00 88 R 8.50 3.56 0.00 1.83 1.89 0.00 3.24 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.25 0.00 89 D 8.12 4.42 0.00 2.69 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 90 G 9.40 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 V 8.65 3.13 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 0.69 0.00 0.00 0.93 0.00 0.00 *92 F 8.62 4.49 0.00 2.29 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 0.00 0.00 0.00 93 L 8.34 4.84 0.00 1.52 1.54 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 *94 Y 8.16 4.48 0.00 2.32 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 *95 F 9.78 4.26 0.00 2.36 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 E 7.85 3.99 0.00 1.98 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 2.24 1.93 0.00 97 D 9.20 4.28 0.00 2.67 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 0.00 0.00 0.00 98 N 10.17 5.59 0.00 2.69 3.22 0.00 0.00 6.99 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 99 A 8.00 5.44 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 0.00 100 G 8.25 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 0.00 0.00 0.00 0.00 101 V 7.73 4.37 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 0.72 0.00 0.00 0.93 0.00 0.00 102 I 7.87 4.75 1.87 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 1.35 1.16 0.91 0.00 0.00 103 A 7.69 4.33 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 0.00 104 N 8.00 5.18 0.00 2.66 2.68 0.00 0.00 7.58 7.64 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 0.00 105 P 0.00 4.47 0.00 2.08 1.78 0.00 3.76 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.59 0.00 106 K 8.56 3.93 0.00 1.76 1.81 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.05 7.81 107 G 8.64 4.55 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 0.00 108 E 8.45 4.03 0.00 1.91 1.86 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 2.31 1.88 0.00 109 M 8.52 4.70 0.00 2.03 1.91 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.10 0.00 110 K 8.55 4.37 0.00 1.76 1.71 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.29 0.99 7.81 111 G 8.11 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 S 7.75 4.12 0.00 3.64 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 A 8.75 4.54 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 0.00 0.00 0.00 0.00 0.00 114 I 8.19 3.62 1.87 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 1.09 0.73 0.91 0.00 0.00 115 T 8.14 4.16 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 1.21 0.00 0.00 116 G 9.02 3.69 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 0.00 0.00 0.00 117 P 0.00 4.45 0.00 1.86 1.91 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.64 0.00 118 V 9.42 4.52 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 0.68 0.00 0.00 0.93 0.00 0.00 119 G 8.72 4.10 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 0.00 0.00 0.00 120 K 8.99 4.37 0.00 1.77 1.83 0.00 1.79 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.07 7.81 121 E 8.19 4.33 0.00 1.97 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 2.31 1.94 0.00 122 C 8.23 4.43 0.00 2.83 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 A 7.91 4.19 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 0.00 124 D 8.53 4.37 0.00 2.79 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 7.97 3.77 0.00 1.68 1.54 0.92 0.80 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 *126 W 8.42 4.52 0.00 2.41 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 0.00 127 P 0.00 4.39 0.00 1.99 2.09 0.00 3.74 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.59 0.00 128 R 8.41 4.30 0.00 1.82 1.92 0.00 3.23 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.24 0.00 129 V 7.53 4.00 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 0.73 0.00 0.00 0.93 0.00 0.00 130 A 9.47 4.36 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 S 8.30 3.67 0.00 3.72 3.61 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 0.00 132 N 8.87 4.56 0.00 2.64 2.88 0.00 0.00 6.69 7.64 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 0.00 133 S 7.93 4.13 0.00 3.68 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 0.00 134 G 8.48 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 135 V 9.44 4.07 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 0.67 0.00 0.00 0.93 0.00 0.00 136 V 8.80 4.37 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 0.68 0.00 0.00 0.93 0.00 0.00 137 V 8.25 5.19 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 1.01 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.