NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 32 A 4.2944 8.2493 123.5835 52.0726 20.0624 177.0287 33 T 4.1112 8.0307 111.0097 59.9974 70.9842 170.5602 34 V 3.5926 9.0834 122.3068 66.0600 32.0244 177.2977 35 P 4.4019 0.0000 0.0000 65.6992 31.2127 177.7980 36 H 4.3448 8.0179 116.3848 59.3890 29.7939 178.0897 37 T 3.9369 7.9648 115.6070 64.1690 67.3829 175.8871 *39 S 4.4548 8.0689 116.6996 58.2836 64.7644 174.1964 40 T 4.3578 7.2444 111.0805 61.1064 68.9898 174.4591 *42 K 4.2068 7.6934 120.1522 57.5728 33.6576 175.8806 43 T 4.8417 8.6318 111.1864 60.3175 70.3189 175.6161 44 A 4.1497 8.7284 124.3888 54.5907 18.3140 178.0636 45 D 4.7215 7.8365 113.3344 53.1535 39.6528 177.2314 46 N 4.6191 8.4364 116.8607 53.3269 37.3042 174.7739 47 R 4.2735 7.8551 114.9582 54.6304 30.6045 174.2284 48 P 4.5534 0.0000 0.0000 62.3662 31.9660 177.7092 49 A 4.2729 8.8591 125.2679 55.2626 18.2301 179.7052 50 S 4.1971 8.1499 112.2428 61.5364 62.7175 176.9309 51 V 3.5846 7.3603 115.2690 64.0850 31.2400 177.2357 52 Y 4.3204 7.7364 114.7388 58.6804 39.1707 175.9266 53 L 4.5358 7.4599 122.5380 53.0169 40.8240 177.1784 54 K 4.0101 7.4122 118.3164 56.5948 33.0062 178.1602 55 K 4.1474 8.4253 121.2093 57.6132 32.6892 177.0305 56 D 4.9535 8.8287 118.8280 55.0472 37.8614 173.7934 57 K 4.8770 7.4423 117.7189 53.7489 36.2980 174.4491 58 P 4.6216 0.0000 0.0000 63.1266 33.4851 174.7961 59 T 5.1273 9.0769 116.7497 61.6956 72.0290 172.8856 60 L 5.2439 9.4055 128.8546 53.5765 44.2941 174.8361 61 I 4.9034 9.1980 127.8288 59.3508 40.1952 174.3633 62 K 3.7131 8.3362 128.7218 54.4374 33.7729 174.8565 63 F 4.9871 9.0024 127.2980 56.1465 40.8511 175.0721 64 W 4.8329 7.8305 118.9159 55.4475 31.7499 173.3874 65 A 4.0193 7.6524 121.0823 49.7627 21.3690 177.4140 66 S 4.2423 8.6308 115.7106 60.5976 62.9364 175.4724 67 W 4.4408 7.1660 115.6458 56.7129 28.5625 175.8905 68 C 4.8023 7.6474 120.8369 57.5014 31.8245 172.0159 69 P 4.3402 0.0000 0.0000 65.4458 30.7676 178.1758 70 L 3.9343 7.8963 119.3979 58.2548 42.4444 177.9688 71 C 4.1315 8.1292 116.1622 63.0427 28.2510 176.0457 72 L 3.8882 8.1684 120.6781 57.7234 40.9929 179.6935 73 S 4.2183 8.1647 113.1925 60.4270 63.1715 175.2615 74 E 4.2634 7.6545 120.8776 56.2111 29.6683 177.6604 75 L 3.3556 7.2126 120.4421 57.4150 41.4954 179.5382 76 G 3.5040 7.3755 105.1454 47.4604 0.0000 175.3713 77 Q 3.6039 7.6320 121.1001 58.9361 29.0566 178.1828 78 A 3.3052 7.3887 121.7343 54.7494 18.1948 179.1950 79 E 3.7593 7.9993 118.0402 59.1418 29.4789 178.8998 80 K 3.9349 7.7240 118.5969 59.4135 32.5756 178.4260 81 W 4.2980 8.0408 118.9218 59.7708 28.6369 178.4131 82 A 4.0749 8.0462 119.5756 54.6606 17.8795 178.7132 83 Q 4.3390 7.6304 113.8036 55.3683 29.8452 175.2511 84 D 4.7663 7.8537 121.2371 52.7529 42.5030 177.0085 85 A 4.1016 8.7496 128.6645 55.2184 18.6111 179.7751 86 K 3.8407 8.9179 114.9436 58.9646 32.3364 177.7878 87 F 4.4655 8.4026 116.6119 57.0236 39.0577 177.6615 88 S 4.3508 8.0817 117.1967 60.6382 62.8387 175.4353 89 S 4.3108 8.0397 113.9874 59.3517 63.3340 173.2255 90 A 5.0354 7.8585 122.0845 50.1464 22.5299 175.1154 91 N 4.7809 9.2459 117.4585 52.5612 40.1455 174.4171 92 L 5.3778 8.7053 124.1660 53.0664 43.6103 175.7719 93 I 4.7592 8.7919 116.9744 59.2389 41.5651 174.1490 94 T 4.8373 8.3604 112.0641 59.7772 72.5116 172.8878 95 V 4.3905 8.5433 122.0515 61.0390 34.4329 174.1644 96 A 4.1111 8.2490 129.2344 50.0053 22.0540 175.3477 97 S 4.5730 7.4505 115.0287 55.0292 64.0268 170.8206 98 P 4.6846 0.0000 0.0000 63.3202 31.8303 177.7175 99 G 3.9855 8.6215 110.7158 45.3644 0.0000 172.8545 100 F 4.9276 8.0244 122.1250 57.4372 41.6805 175.0555 101 L 3.2997 8.6365 125.9170 56.2615 39.0368 174.6851 102 H 4.1048 8.1872 109.5855 56.4065 26.5768 175.1598 103 E 4.3913 8.2675 121.2794 55.9136 31.0025 176.2866 104 K 4.1138 8.9067 123.5380 57.0669 33.3311 176.6119 105 K 4.5163 8.8515 122.5105 55.9535 33.5288 176.0696 106 D 4.5345 8.6375 121.1912 56.3605 41.8876 175.5111 107 G 4.4410 9.7412 119.3902 46.3628 0.0000 175.4540 108 E 4.0033 8.1281 120.3946 58.5758 29.6426 178.4109 109 F 4.1273 8.6456 121.0329 61.6140 39.5733 177.2111 110 Q 4.1843 8.3214 117.1744 58.7420 28.3295 178.5533 111 K 3.9470 7.9924 120.0196 59.1093 32.5479 178.4359 112 W 4.1861 8.3671 128.6797 60.7718 30.6779 177.4685 113 Y 3.0010 8.3714 119.4325 59.9508 37.8858 177.5307 114 A 3.8591 7.7789 121.0444 54.3821 18.4711 179.1791 115 G 3.4222 7.3641 102.9249 45.5315 0.0000 173.9719 116 L 4.1233 6.2479 120.6743 53.6791 42.8398 176.3741 117 N 4.5163 7.4284 118.6606 51.5722 39.2464 173.1536 118 Y 4.7774 7.2077 121.7370 55.0174 38.6070 174.6799 119 P 4.3552 0.0000 0.0000 64.7723 32.1566 178.2311 120 K 4.3921 8.7343 117.5449 55.8794 32.2462 175.4412 121 L 4.4067 7.7903 122.3723 52.7632 42.8086 174.2144 122 P 4.0855 0.0000 0.0000 62.2905 32.5760 175.4668 123 V 4.5110 8.1546 124.1175 59.9283 33.7914 174.3665 124 V 4.1170 8.8247 129.6753 62.6792 32.9171 174.8387 125 T 4.4592 8.4716 118.1131 60.2625 70.1592 173.7848 126 D 4.6262 8.6390 128.5995 51.8154 41.9264 174.1243 127 N 4.4660 8.3849 123.6933 54.6152 39.2872 175.3526 128 G 3.8594 9.2964 114.7873 44.7196 0.0000 172.8871 129 G 3.1286 7.9521 107.5924 46.6954 0.0000 176.5973 130 T 3.6754 8.1041 117.5137 66.5428 68.5874 176.0205 131 I 3.7036 8.6408 121.5952 64.1312 37.1278 178.2188 132 A 3.5499 7.8280 121.1425 55.1911 18.1731 179.5408 133 Q 3.8666 7.8498 116.5834 59.2238 28.5608 178.7082 134 N 4.3177 8.0814 116.4595 55.9325 38.6651 176.4693 135 L 4.2906 7.8802 117.4492 53.4198 42.4788 175.8135 136 N 4.0850 7.7222 116.5296 54.4534 37.7837 174.0059 137 I 4.1763 7.8922 118.1824 60.1151 38.1345 176.3824 138 S 4.5531 8.4692 117.4053 57.3104 64.4431 174.1860 139 V 4.4028 7.4000 113.2456 59.6592 34.9254 174.2287 140 Y 5.2200 8.1852 119.6019 55.3067 41.3307 173.8712 141 P 4.9814 0.0000 0.0000 63.4346 33.0190 175.0011 142 S 5.3847 8.8861 115.0577 57.1173 68.0886 173.0340 143 W 5.5523 9.7848 120.5209 55.1040 33.1472 174.5266 144 A 5.3881 9.6012 124.1910 50.1821 22.4600 174.5945 145 L 5.1637 9.2608 123.5284 53.5039 44.5286 175.0389 146 I 4.8829 8.9759 128.0301 59.4154 39.3708 176.3321 147 G 4.1098 9.3794 116.7409 44.6176 0.0000 174.5875 148 K 4.1643 8.4206 117.8715 58.9966 32.4839 177.6044 149 D 4.5123 8.0523 117.1345 54.5986 41.0082 176.9491 150 G 4.0326 8.4341 108.8576 44.8721 0.0000 173.6075 151 D 4.6103 7.7242 119.5572 52.2141 40.6529 175.8054 152 V 4.0584 8.2905 121.8239 63.1824 32.0019 175.3630 153 Q 4.5910 8.9322 126.4435 57.0673 30.8596 176.1190 154 R 4.6871 7.6334 116.7411 55.2584 33.6523 173.6951 155 I 5.1939 8.4641 125.5863 59.5212 40.6464 174.7272 156 V 4.4704 9.1759 126.9620 60.8684 34.0460 174.2335 157 K 4.6262 8.3031 129.5615 56.6053 33.0545 177.2318 158 G 3.9974 8.8938 114.7007 44.4623 0.0000 172.9693 159 S 4.7556 8.3958 114.1140 58.3925 63.4724 173.8926 160 I 4.7585 8.1829 115.3717 58.5415 40.3184 175.4415 161 N 4.9715 9.1839 121.2067 51.8999 40.1609 175.8468 162 E 2.7408 8.7483 119.5797 58.8679 29.5083 178.4058 163 A 3.8227 7.8137 120.5275 55.0939 18.4808 179.4459 164 Q 3.8093 8.7143 116.8181 58.9314 28.8577 178.8858 165 A 3.7150 7.8348 121.9503 55.0676 18.2303 179.7303 166 L 3.5135 7.9336 117.6546 57.5587 41.5766 179.5525 167 A 3.8998 7.9676 120.8433 55.1882 18.0843 179.7343 168 L 4.1908 7.8601 116.9019 57.7878 41.7536 179.4723 169 I 3.9151 7.4630 111.8277 63.3365 37.6701 177.9566 170 R 4.2862 7.4841 120.0173 57.5021 30.2923 175.7715 171 N 4.7600 8.5322 119.2028 51.0947 40.6849 172.8131 172 P 4.2521 0.0000 0.0000 65.2584 31.3879 176.7648 173 N 4.7396 8.3136 115.0391 52.6383 38.5918 174.7968 174 A 3.8727 7.7269 121.7893 52.7762 18.6722 178.3895 175 D 4.5722 8.3962 121.3637 53.5328 40.2936 176.4329 176 L 4.2493 8.3598 127.7175 57.1376 41.8049 179.1392 177 G 3.7032 8.2135 105.4361 47.8072 0.0000 175.4621 178 S 4.3601 8.0550 115.4457 60.1794 63.1159 174.8705 179 L 4.5833 7.4751 120.6600 54.0394 42.0769 177.9808 180 K 3.8159 7.9225 121.9055 59.3778 32.0690 177.1603 181 H 4.9043 7.8992 113.0581 55.3841 29.0364 174.7504 182 S 4.3248 7.8964 120.6423 58.6526 62.9270 173.8687 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 32 A 8.25 4.29 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 33 T 8.03 4.11 4.47 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 1.23 0.00 0.00 34 V 9.08 3.59 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.99 0.00 0.00 35 P 0.00 4.40 0.00 2.10 2.14 0.00 3.78 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.18 0.00 36 H 8.02 4.34 0.00 3.16 3.49 0.00 5.96 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 T 7.96 3.94 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 1.20 0.00 0.00 *39 S 8.07 4.45 0.00 3.96 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 7.24 4.36 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 1.14 0.00 0.00 *42 K 7.69 4.21 0.00 1.89 1.86 0.00 1.67 0.00 0.00 1.90 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.45 1.45 7.81 43 T 8.63 4.84 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 1.38 0.00 0.00 44 A 8.73 4.15 1.53 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 0.00 0.00 45 D 7.84 4.72 0.00 2.85 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 46 N 8.44 4.62 0.00 2.94 3.17 0.00 0.00 6.93 7.38 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 47 R 7.86 4.27 0.00 2.02 2.20 0.00 2.81 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.69 0.00 48 P 0.00 4.55 0.00 2.19 2.03 0.00 3.60 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 2.10 2.09 0.00 49 A 8.86 4.27 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 50 S 8.15 4.20 0.00 4.06 4.15 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 51 V 7.36 3.58 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.31 0.00 0.00 52 Y 7.74 4.32 0.00 3.16 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 53 L 7.46 4.54 0.00 1.80 1.69 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 54 K 7.41 4.01 0.00 1.82 1.79 0.00 1.72 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.61 7.81 55 K 8.43 4.15 0.00 1.80 1.74 0.00 1.81 0.00 0.00 1.84 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.54 1.41 7.81 56 D 8.83 4.95 0.00 2.85 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 57 K 7.44 4.88 0.00 1.98 1.69 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.53 7.81 58 P 0.00 4.62 0.00 2.17 2.22 0.00 3.90 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 2.02 0.00 59 T 9.08 5.13 4.31 0.00 0.00 0.00 0.00 0.00 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 60 L 9.41 5.24 0.00 1.88 1.76 1.23 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 61 I 9.20 4.90 1.86 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.72 0.11 0.00 0.00 62 K 8.34 3.71 0.00 0.79 0.96 0.00 1.03 0.00 0.00 1.07 0.00 0.00 2.60 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.74 0.21 7.81 63 F 9.00 4.99 0.00 3.15 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 W 7.83 4.83 0.00 3.07 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 65 A 7.65 4.02 -0.21 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 0.00 0.00 0.00 66 S 8.63 4.24 0.00 2.72 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 W 7.17 4.44 0.00 3.46 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 C 7.65 4.80 0.00 2.80 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 69 P 0.00 4.34 0.00 2.37 2.38 0.00 3.92 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.11 0.00 70 L 7.90 3.93 0.00 1.71 1.80 0.96 1.00 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 71 C 8.13 4.13 0.00 3.24 2.97 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 72 L 8.17 3.89 0.00 1.74 1.80 1.22 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 73 S 8.16 4.22 0.00 3.99 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 0.00 74 E 7.65 4.26 0.00 1.99 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 2.18 2.40 0.00 75 L 7.21 3.36 0.00 0.56 0.30 0.49 -0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 76 G 7.38 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 7.63 3.60 0.00 1.85 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 1.16 2.16 0.00 78 A 7.39 3.31 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.00 3.76 0.00 2.06 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 2.33 2.33 0.00 80 K 7.72 3.93 0.00 1.88 1.97 0.00 1.97 0.00 0.00 1.77 0.00 0.00 3.11 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.62 1.56 7.81 81 W 8.04 4.30 0.00 3.05 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 82 A 8.05 4.07 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 83 Q 7.63 4.34 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.69 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 84 D 7.85 4.77 0.00 3.12 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 85 A 8.75 4.10 1.34 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 0.00 0.00 86 K 8.92 3.84 0.00 1.61 1.52 0.00 1.52 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.52 7.81 87 F 8.40 4.47 0.00 3.44 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 88 S 8.08 4.35 0.00 4.02 4.11 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 89 S 8.04 4.31 0.00 4.00 4.01 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 90 A 7.86 5.04 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 91 N 9.25 4.78 0.00 2.74 2.94 0.00 0.00 7.20 6.41 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 92 L 8.71 5.38 0.00 1.59 1.64 0.79 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 93 I 8.79 4.76 1.69 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.58 0.86 0.00 0.00 94 T 8.36 4.84 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 0.94 0.00 0.00 95 V 8.54 4.39 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 0.79 0.00 0.00 0.51 0.00 0.00 96 A 8.25 4.11 -0.33 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 0.00 0.00 0.00 0.00 0.00 97 S 7.45 4.57 0.00 3.88 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 98 P 0.00 4.68 0.00 2.12 2.05 0.00 3.72 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.58 0.00 99 G 8.62 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 0.00 100 F 8.02 4.93 0.00 3.03 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.64 3.30 0.00 1.77 1.69 0.54 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 102 H 8.19 4.10 0.00 3.02 3.27 0.00 5.71 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 E 8.27 4.39 0.00 2.18 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 1.95 2.28 0.00 104 K 8.91 4.11 0.00 1.94 1.85 0.00 1.48 0.00 0.00 1.78 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.51 1.43 7.81 105 K 8.85 4.52 0.00 1.79 1.78 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.43 7.81 106 D 8.64 4.53 0.00 2.63 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 G 9.74 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.13 4.00 0.00 2.11 2.24 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 2.46 2.44 0.00 109 F 8.65 4.13 0.00 3.40 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 Q 8.32 4.18 0.00 2.29 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.68 0.00 0.00 0.00 0.00 0.00 2.60 2.75 0.00 111 K 7.99 3.95 0.00 1.87 2.05 0.00 1.70 0.00 0.00 1.62 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.53 7.81 112 W 8.37 4.19 0.00 3.46 3.31 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.37 3.00 0.00 2.59 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 0.00 114 A 7.78 3.86 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 0.00 115 G 7.36 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 0.00 116 L 6.25 4.12 0.00 0.92 1.30 0.02 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 117 N 7.43 4.52 0.00 2.30 2.23 0.00 0.00 6.78 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 0.00 118 Y 7.21 4.78 0.00 3.05 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 0.00 119 P 0.00 4.36 0.00 2.17 2.14 0.00 3.78 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 120 K 8.73 4.39 0.00 1.86 1.91 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.79 7.81 121 L 7.79 4.41 0.00 1.58 1.75 0.73 0.40 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 0.00 122 P 0.00 4.09 0.00 1.59 0.49 0.00 3.43 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.70 0.00 123 V 8.15 4.51 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 1.29 0.00 0.00 0.94 0.00 0.00 124 V 8.82 4.12 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 0.89 0.00 0.00 0.84 0.00 0.00 125 T 8.47 4.46 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 1.17 0.00 0.00 126 D 8.64 4.63 0.00 2.59 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 N 8.38 4.47 0.00 2.69 2.69 0.00 0.00 7.33 7.98 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 0.00 128 G 9.30 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 0.00 129 G 7.95 3.13 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 0.00 130 T 8.10 3.68 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 1.19 0.00 0.00 131 I 8.64 3.70 2.07 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 1.48 0.78 1.12 0.00 0.00 132 A 7.83 3.55 1.15 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 0.00 0.00 133 Q 7.85 3.87 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.72 0.00 0.00 0.00 0.00 0.00 2.38 1.89 0.00 134 N 8.08 4.32 0.00 2.79 2.87 0.00 0.00 7.08 8.67 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 0.00 135 L 7.88 4.29 0.00 1.37 1.59 1.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 136 N 7.72 4.09 0.00 2.80 2.82 0.00 0.00 7.09 8.06 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 0.00 137 I 7.89 4.18 1.47 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.40 0.75 0.00 0.00 138 S 8.47 4.55 0.00 3.82 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 0.00 139 V 7.40 4.40 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 0.74 0.00 0.00 0.95 0.00 0.00 140 Y 8.19 5.22 0.00 2.85 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 P 0.00 4.98 0.00 2.20 2.18 0.00 3.78 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.27 0.00 142 S 8.89 5.38 0.00 3.88 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 W 9.78 5.55 0.00 3.30 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 0.00 144 A 9.60 5.39 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 0.00 145 L 9.26 5.16 0.00 1.82 1.60 1.05 1.10 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 0.00 146 I 8.98 4.88 1.94 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.90 1.00 0.00 0.00 147 G 9.38 4.11 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 0.00 0.00 0.00 148 K 8.42 4.16 0.00 1.90 1.92 0.00 1.19 0.00 0.00 1.30 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.45 7.81 149 D 8.05 4.51 0.00 2.86 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 0.00 150 G 8.43 4.03 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 0.00 0.00 0.00 151 D 7.72 4.61 0.00 2.86 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 V 8.29 4.06 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 0.87 0.00 0.00 0.98 0.00 0.00 153 Q 8.93 4.59 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.31 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 154 R 7.63 4.69 0.00 2.03 1.78 0.00 3.20 0.00 0.00 3.57 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 155 I 8.46 5.19 1.91 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 1.29 0.85 1.00 0.00 0.00 156 V 9.18 4.47 2.30 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 1.07 0.00 0.00 1.01 0.00 0.00 157 K 8.30 4.63 0.00 1.86 1.75 0.00 1.68 0.00 0.00 0.61 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.33 7.81 158 G 8.89 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 0.00 0.00 0.00 159 S 8.40 4.76 0.00 3.99 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 0.00 160 I 8.18 4.76 1.73 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.28 0.78 0.00 0.00 161 N 9.18 4.97 0.00 3.05 3.08 0.00 0.00 6.73 7.42 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 0.00 162 E 8.75 2.74 0.00 2.18 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 2.08 1.50 0.00 163 A 7.81 3.82 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 0.00 164 Q 8.71 3.81 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 165 A 7.83 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 L 7.93 3.51 0.00 1.52 1.39 0.59 -0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 167 A 7.97 3.90 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 L 7.86 4.19 0.00 1.74 1.74 0.89 1.12 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 0.00 169 I 7.46 3.92 1.88 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.39 1.06 0.00 0.00 170 R 7.48 4.29 0.00 1.70 2.04 0.00 3.17 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 171 N 8.53 4.76 0.00 2.70 2.58 0.00 0.00 6.98 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 0.00 172 P 0.00 4.25 0.00 2.23 2.32 0.00 3.80 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.12 0.00 173 N 8.31 4.74 0.00 2.85 2.87 0.00 0.00 6.90 6.92 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 0.00 174 A 7.73 3.87 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 0.00 175 D 8.40 4.57 0.00 2.64 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 L 8.36 4.25 0.00 1.72 1.67 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 177 G 8.21 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 S 8.06 4.36 0.00 3.84 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 L 7.48 4.58 0.00 1.82 1.62 0.86 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 180 K 7.92 3.82 0.00 1.76 1.64 0.00 1.72 0.00 0.00 1.52 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.38 7.81 181 H 7.90 4.90 0.00 3.20 3.28 0.00 5.75 0.00 0.00 0.00 0.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 S 7.90 4.32 0.00 4.01 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 * Residues marked with a * may have inaccurate shift predictions.