NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.0944 8.4145 119.9863 56.7481 33.7719 175.8170 3 R 4.3125 7.8613 116.3803 53.5302 30.6865 171.0691 4 Y 4.6206 9.1203 123.0820 57.8294 39.6985 176.3076 5 R 4.8557 9.5579 120.5253 56.5205 33.7658 175.8322 6 T 5.4013 8.1964 115.2732 61.6743 72.3849 172.8216 7 L 5.1805 9.4588 126.5581 52.9102 45.0372 175.3280 8 L 5.3618 9.0119 124.7440 53.3485 43.8227 175.3607 9 F 5.2681 9.4601 123.8931 55.3440 41.1806 175.3125 10 D 5.0436 8.8497 123.7011 54.4928 41.6879 175.7943 11 V 3.9046 8.5054 121.6466 64.7887 32.4411 175.0462 12 D 4.7910 7.7092 119.4287 54.8232 41.2584 176.0337 13 D 4.5853 9.1165 122.8909 55.5578 39.5326 173.9805 14 T 4.5221 7.9034 114.5038 64.7760 70.6314 176.1056 15 I 4.3990 7.9896 112.9062 60.3708 39.7807 175.1285 16 L 5.1353 7.6670 120.5514 53.0176 44.1458 175.3020 17 D 4.8462 8.8432 122.7688 53.3781 39.3286 176.7344 18 F 4.1615 8.5142 126.4562 60.5430 39.7562 176.0289 19 Q 4.0061 8.3999 117.4424 58.9137 28.5290 178.9046 20 A 3.8916 8.0740 120.7724 55.0489 18.3943 179.3551 21 A 3.7971 7.6014 118.8027 55.2998 18.3304 179.4698 22 E 3.7028 8.0478 117.7349 59.2275 29.6105 178.5959 23 A 3.9496 8.1016 121.1205 55.2858 18.3373 179.4258 24 L 3.7960 7.8688 118.3515 58.2559 42.1061 179.0443 25 A 3.9015 8.1966 120.9689 54.9491 18.1533 179.6110 26 L 4.1169 8.3702 117.8605 57.9353 41.6311 179.6161 27 R 3.8069 7.6974 118.2619 59.5930 29.9729 178.6009 28 L 3.6027 7.8871 118.8401 57.2756 41.3562 179.3364 29 L 4.0494 8.1134 120.7331 58.3581 42.1152 179.1704 30 F 3.7891 8.5924 117.9301 60.1565 38.8134 177.4772 31 E 3.9220 8.4696 118.7479 59.5663 29.0845 178.6883 32 D 4.3653 7.9395 116.6128 57.4844 41.3626 177.7587 33 Q 4.1569 7.7426 114.8078 55.0063 29.2949 175.2489 34 N 4.1636 7.7546 116.4655 54.4460 36.8221 174.1714 35 I 4.3997 7.4522 117.9153 58.5160 39.0878 174.5338 36 P 4.2133 0.0000 0.0000 62.6263 31.6584 175.4128 37 L 4.1011 8.3421 124.8485 53.4402 43.1286 176.2596 38 T 4.4327 7.6797 116.7892 60.1741 72.2251 174.9465 39 N 4.2561 8.4039 119.3599 56.7460 38.9537 176.3805 40 D 4.3672 8.0206 119.0920 57.5980 41.3309 178.0017 41 M 3.8980 7.9765 119.1315 58.1627 31.8577 178.7382 42 K 3.9046 7.9929 118.3718 59.5211 32.3039 179.1319 43 A 4.0476 8.0830 120.7982 55.3994 18.2586 179.7784 44 Q 4.0152 8.3898 116.5999 59.0715 28.7728 177.9657 45 Y 4.1556 8.5178 121.3846 60.8179 38.7063 178.6678 46 K 3.8602 8.1946 119.5224 60.2137 32.7298 179.3610 47 T 3.8587 7.9005 116.8577 66.2951 68.3268 176.8434 48 I 3.6456 8.0490 122.1444 64.2688 37.0820 177.9811 49 N 4.0906 8.2327 118.0459 56.8561 38.7801 176.7605 50 Q 4.1969 8.2928 119.7205 59.0588 28.7753 179.3840 51 G 3.6123 8.2652 106.6429 47.6528 0.0000 175.8232 52 L 3.9366 8.0491 121.5643 57.3595 41.6307 179.5988 53 W 4.1511 8.5199 121.4843 60.4645 29.0042 179.3613 54 R 4.0466 8.3816 120.3089 61.4142 28.7316 180.4726 55 A 4.2073 8.1917 121.7015 54.9115 18.2865 179.4546 56 F 4.5280 8.2970 120.4446 61.1833 39.2755 177.0305 57 E 3.6358 8.4158 117.0177 59.2489 29.3584 178.4523 58 E 4.3526 8.0768 115.5101 55.8938 29.7967 177.0699 59 G 3.8208 7.9036 107.4491 46.1989 0.0000 174.6762 60 K 4.3859 8.1296 117.9849 56.3869 32.9735 176.3324 61 M 4.7731 7.3749 118.0781 53.0086 35.4538 173.9953 62 T 4.4639 8.2393 115.1114 61.3742 71.3690 175.7613 63 R 2.9798 8.2947 121.2990 59.0882 29.9478 178.3157 64 D 4.2398 7.8793 118.4808 57.2538 40.9451 178.1799 65 E 3.8217 8.0044 119.7007 59.1285 29.4809 178.6027 66 V 3.2542 7.2470 118.0489 66.4682 31.1617 178.5462 67 V 3.6442 7.2541 110.5278 63.9318 31.3588 177.5896 68 N 4.7387 8.5661 114.9896 54.0641 38.7489 176.1957 69 T 4.6607 7.9437 111.8648 60.5158 70.3645 176.1510 70 R 3.7765 7.5141 119.8230 59.7174 29.2131 178.8276 71 F 4.4872 7.8733 118.3540 59.8170 38.9478 177.8684 72 S 4.2092 8.1983 113.4434 61.4466 62.7070 176.2563 73 A 4.0255 8.3190 123.9356 54.5585 18.1638 179.0745 74 L 4.2374 8.1895 118.7835 58.6407 42.2905 179.4002 75 L 4.3837 8.3559 118.7271 57.4052 41.6014 179.3249 76 K 4.2016 8.1353 121.4085 59.0576 31.9570 178.4690 77 E 4.0607 7.9423 116.6924 58.2411 29.3015 177.1855 78 Y 4.4294 7.9722 114.6334 57.5688 38.7604 176.2119 79 G 3.8442 8.3375 107.4895 45.4050 0.0000 172.9586 80 Y 4.7155 8.3294 117.5860 55.9466 39.8465 174.5483 81 E 4.6878 8.7916 123.3105 54.8499 31.1074 175.3892 82 A 4.6436 8.2350 125.1152 49.6004 22.5472 175.8302 83 D 4.7040 8.5145 119.7241 52.9568 41.5011 177.3056 84 G 4.2351 8.9405 115.9959 47.2578 0.0000 173.5049 85 A 4.3078 8.0166 124.2715 54.2620 18.6046 179.2840 86 L 3.9040 8.0459 118.3564 58.2872 42.0526 179.2590 87 L 3.8880 7.9683 119.0278 57.6127 41.4715 178.9483 88 E 4.2734 8.5475 119.4671 59.3546 29.4370 178.6217 89 Q 3.9506 8.1420 119.6031 59.1383 29.0690 178.5562 90 K 3.6711 7.8324 118.9397 59.5224 32.1019 178.6823 91 Y 4.2607 8.2952 120.1878 60.8134 38.6921 178.1678 92 R 3.9014 8.3568 119.8249 59.3702 29.9611 178.4608 93 R 3.7720 7.3453 117.4921 59.3132 30.3735 178.2946 94 F 4.5457 7.4866 117.2837 60.4509 38.9899 177.4249 95 L 3.8036 8.1488 120.4144 58.1764 41.9578 178.7572 96 E 4.1541 8.2073 117.8298 58.6002 29.1419 178.4751 97 E 4.5677 8.0981 117.6181 56.5732 29.7308 176.5928 98 G 3.9611 7.7374 109.0616 44.4887 0.0000 173.1574 99 H 5.0272 7.7831 120.5740 54.6277 29.4181 173.7758 100 Q 4.0859 8.1510 118.5802 57.7618 29.4544 176.0380 101 L 4.9033 8.3919 122.7078 53.2645 43.8253 176.6137 102 I 3.9194 8.3806 122.9280 60.9380 38.4890 175.1956 103 D 4.4356 8.7768 124.7745 56.3649 41.2720 177.0740 104 G 3.9939 9.1382 113.9188 45.9478 0.0000 174.5920 105 A 3.9522 8.2480 122.6613 55.0239 18.2793 179.7082 106 F 3.9186 8.2054 118.5131 61.5415 39.6781 176.6121 107 D 4.4360 8.4361 118.0267 57.4323 40.6101 178.5520 108 L 3.9003 7.8195 121.6590 57.7979 42.1280 179.1906 109 I 3.2913 7.5403 119.6991 64.0168 36.6621 178.3201 110 S 2.7900 7.1848 113.5499 60.9056 62.4568 175.8026 111 N 4.4480 7.8948 119.0123 56.2819 38.3811 177.5817 112 L 4.2205 8.1473 120.7865 57.6878 41.4187 179.0903 113 Q 3.8746 7.6622 118.9492 59.4599 28.8909 178.4886 114 Q 4.1313 7.8957 117.7337 57.8736 28.8051 176.8374 115 Q 4.3695 7.8989 115.5363 55.2546 30.9234 174.8280 116 F 5.0318 8.1439 115.1464 55.5669 43.4630 173.9601 117 D 4.7604 9.1291 120.7932 53.5599 42.2883 175.5611 118 L 5.3890 8.2598 123.3147 53.3353 44.2837 175.0934 119 Y 5.4272 9.6168 120.6950 56.4040 42.3938 174.4391 120 I 4.8326 8.4586 122.7687 60.3180 39.6156 175.2559 121 V 5.0631 8.8625 119.3390 58.9891 34.7833 174.6122 122 T 4.8105 8.8656 119.5241 60.9764 70.8768 173.9048 123 N 5.0296 8.2897 123.1487 52.8091 39.3176 175.6436 124 G 3.8365 7.7625 107.9593 44.3745 0.0000 174.3531 125 V 3.8259 8.3461 118.9080 62.8587 32.3646 176.2346 126 S 4.2277 9.4378 121.5369 62.1188 62.3527 175.9271 127 H 4.1148 8.1128 118.1119 59.2930 28.4690 177.7436 128 T 4.1060 7.8456 118.1678 66.2750 68.3124 176.7162 129 Q 4.0304 8.4002 119.9781 59.0647 28.7531 178.0987 130 Y 3.8685 8.4100 117.9408 60.9672 37.8989 178.7603 131 K 3.9090 8.0666 120.1714 59.7604 32.3599 179.1047 132 R 4.0500 8.0607 118.2768 59.1014 29.9652 178.9856 133 L 4.0994 8.2837 119.2039 57.8160 41.6036 179.8678 134 R 3.9548 8.1966 118.0413 59.5280 29.8515 178.9572 135 D 4.3490 8.2847 117.8983 56.9422 40.8296 178.4080 136 S 4.4561 8.1297 113.4159 59.3168 63.4548 175.3437 137 G 4.2215 8.0640 110.7971 45.7616 0.0000 174.8900 138 L 4.5421 7.8571 118.8957 56.9235 41.5963 178.5847 139 F 4.1714 8.2595 121.3178 61.1576 39.0577 175.4642 140 P 4.0683 0.0000 0.0000 64.5898 31.1716 177.7954 141 F 4.3408 7.3491 115.0271 57.5563 39.3529 175.2202 142 F 4.6089 6.9363 117.5180 55.5851 40.4033 176.1653 143 K 4.1161 8.4736 125.1429 59.2212 32.7580 176.5233 144 D 4.6666 7.6572 117.0782 53.1437 45.1395 174.0376 145 I 4.6891 7.8155 121.7212 59.4617 40.5495 175.0926 146 F 4.9416 9.3046 126.6957 56.0269 40.9530 174.4222 147 V 4.9524 8.3737 124.4156 60.8653 33.3927 176.4154 148 S 4.3283 8.9439 123.1447 61.7979 62.7391 176.6981 149 E 4.0666 8.2735 117.8481 58.6437 29.1955 177.7294 150 D 4.6528 8.0936 117.9192 54.9885 41.3595 177.2035 151 T 3.7355 7.8360 109.6565 60.3696 70.1266 175.7262 152 G 3.5336 8.1599 108.3551 45.4244 0.0000 172.6491 153 F 4.9386 7.6522 117.6669 57.1526 42.4548 173.6926 154 Q 4.3228 8.2735 115.4925 55.4420 30.5503 173.5354 155 K 3.8107 7.6840 120.1454 56.5636 32.4901 175.1959 156 P 5.0146 0.0000 0.0000 62.8508 32.1094 175.4507 157 M 4.2014 8.3815 123.1707 56.1295 32.5113 178.2575 158 K 4.1200 8.7906 127.7756 60.1227 31.9692 177.3522 159 E 3.8760 7.8415 118.5859 59.0093 28.8674 178.7485 160 Y 3.8910 7.6188 119.4548 60.7520 38.8340 177.9942 161 F 3.3578 7.9541 118.1523 60.1038 38.9656 177.2867 162 N 4.1112 8.2037 116.6880 56.2179 38.0573 176.6523 163 Y 3.9388 7.3184 119.6454 60.5524 39.1408 178.2471 164 V 2.5483 6.8848 118.5374 65.6361 31.4086 177.9664 165 F 3.3959 7.4575 117.7936 60.4278 38.4101 177.5412 166 E 3.9726 7.8938 116.7830 58.5594 29.2518 178.5796 167 R 4.5872 7.3214 115.2396 54.7398 30.8095 175.7607 168 I 4.2881 6.8186 121.1498 58.8519 37.7833 174.0321 169 P 4.3343 0.0000 0.0000 63.9440 31.8823 176.4631 170 Q 3.4494 8.8325 121.0980 56.6381 26.2899 174.2420 171 F 4.1537 8.2977 118.5691 58.3342 40.3781 173.8013 172 S 3.9498 7.6367 121.0047 55.8288 64.5209 173.7858 173 A 3.4525 7.8216 131.5636 55.1243 18.2349 178.9742 174 E 3.9046 7.8745 114.8955 58.8724 30.0258 176.6228 175 H 5.0315 7.9023 115.6753 55.8281 30.0665 174.1836 176 T 5.2106 7.9140 114.5862 61.7218 71.0739 173.3767 177 L 4.6737 8.6347 128.2400 53.0820 44.8759 174.5647 178 I 4.8565 8.1601 125.6160 59.3828 40.5467 174.0211 179 I 4.8747 8.2476 129.9548 59.6823 39.9297 174.8486 180 G 4.7961 8.7013 112.1541 45.6788 0.0000 173.7029 181 D 5.0971 9.0408 118.6670 53.2358 40.6193 176.4515 182 S 4.5707 8.5813 116.4521 56.8907 62.7868 174.1076 183 L 3.4017 8.6718 130.4542 58.0665 41.3064 178.8390 184 T 3.8370 7.6633 108.8230 64.6571 69.0456 176.7057 185 A 4.0075 7.9314 122.9526 54.3267 18.8940 178.6842 186 D 4.6947 8.1554 116.7724 56.8064 41.4924 179.2264 187 I 3.7260 7.3955 119.5306 64.2048 37.4028 178.2389 188 K 3.9303 8.1338 120.6719 59.1498 32.0020 178.9389 189 G 3.8357 7.7971 105.1086 47.7251 0.0000 175.9478 190 G 3.0473 7.6645 108.2629 46.9596 0.0000 175.4495 191 Q 4.1031 7.9954 123.8580 58.4504 28.8820 178.5011 192 L 3.9117 7.7732 118.2454 57.5622 41.7133 178.5952 193 A 4.3907 7.4718 117.8524 52.2925 18.4907 177.8322 194 G 3.9165 8.1638 106.1282 45.1473 0.0000 173.3727 195 L 4.8610 8.0243 119.1322 52.3130 44.9006 176.1318 196 D 4.6912 8.6836 121.2921 54.8733 42.4615 175.3637 197 T 5.0363 8.8438 110.3657 60.1441 72.9045 172.4359 198 C 5.3377 9.2053 124.1679 57.4652 34.5758 172.6594 199 W 5.0338 9.2416 135.0000 56.8583 31.4678 175.0929 200 M 4.3895 9.1789 129.3920 54.4612 32.4024 175.8785 201 N 4.7545 8.3742 127.9027 51.1752 38.9063 173.4012 202 P 4.1991 0.0000 0.0000 65.4902 32.0059 177.4971 203 D 4.5970 7.8365 116.6413 53.6269 41.3608 176.6412 204 M 3.0773 7.5394 117.2581 56.3011 30.3051 176.7851 205 K 3.8114 8.1556 119.2914 58.3113 32.0036 179.1527 *211 I 3.7342 8.1109 131.6397 61.7620 37.8270 174.1493 212 I 4.1962 7.8486 125.4860 58.8988 37.9509 174.5746 213 P 4.5651 0.0000 0.0000 62.2672 32.4252 176.3460 214 T 3.8219 8.0555 116.3382 66.4855 68.7663 174.4183 215 Y 5.0059 8.3253 116.9734 56.1809 42.7841 174.2509 216 E 5.3182 8.9648 121.9165 54.6054 32.7632 174.5009 217 I 4.9345 8.6579 118.7303 58.4336 41.1242 175.9871 218 R 4.2169 9.4129 121.3911 56.7214 31.7328 177.3938 219 K 4.6870 7.7457 115.6001 53.4087 36.1011 176.9740 220 L 4.0094 8.7424 122.7293 58.0555 41.5278 179.7072 221 E 4.0068 8.2441 116.7158 59.1667 29.0212 178.6273 222 E 4.1474 8.3384 119.4402 58.7836 29.4482 178.7780 223 L 3.9749 8.0364 119.1436 56.9943 41.0587 178.7487 224 Y 4.1922 7.6318 117.3680 61.3478 37.8417 178.0771 225 H 4.2395 8.2966 118.4984 59.4739 29.9224 177.0988 226 I 3.5997 7.3473 120.0736 63.6110 36.8517 177.3924 227 L 4.5809 7.5753 116.7542 53.3387 42.5360 176.0324 228 N 4.2762 8.2026 115.0976 53.9469 36.3366 174.4082 229 I 4.2446 8.0106 115.6222 61.3242 37.7900 174.8875 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 2 K 8.41 4.09 0.00 1.62 1.77 0.00 1.37 0.00 0.00 1.71 0.00 0.00 2.27 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.17 0.82 7.81 3 R 7.86 4.31 0.00 1.87 1.74 0.00 3.27 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.28 0.00 4 Y 9.12 4.62 0.00 3.11 3.07 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 0.00 0.00 0.00 5 R 9.56 4.86 0.00 1.78 2.02 0.00 3.06 0.00 0.00 3.12 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 6 T 8.20 5.40 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 1.58 0.00 0.00 7 L 9.46 5.18 0.00 1.72 1.34 0.45 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 8 L 9.01 5.36 0.00 1.72 1.83 1.29 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 9 F 9.46 5.27 0.00 3.02 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 10 D 8.85 5.04 0.00 2.74 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 11 V 8.51 3.90 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.83 0.00 0.00 12 D 7.71 4.79 0.00 2.35 2.25 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 13 D 9.12 4.59 0.00 3.01 2.81 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 0.00 0.00 0.00 0.00 14 T 7.90 4.52 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 15 I 7.99 4.40 1.88 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.90 0.89 0.00 0.00 16 L 7.67 5.14 0.00 1.79 1.68 0.99 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.84 4.85 0.00 2.84 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 18 F 8.51 4.16 0.00 3.33 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.40 4.01 0.00 2.32 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.80 2.59 0.00 20 A 8.07 3.89 1.42 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 21 A 7.60 3.80 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 22 E 8.05 3.70 0.00 1.37 1.98 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 2.41 2.60 0.00 23 A 8.10 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 24 L 7.87 3.80 0.00 1.72 1.75 0.83 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.20 3.90 1.13 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 26 L 8.37 4.12 0.00 1.83 1.65 0.81 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.70 3.81 0.00 1.76 1.98 0.00 3.13 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 28 L 7.89 3.60 0.00 0.80 0.16 0.66 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.11 4.05 0.00 1.98 1.91 0.80 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.59 3.79 0.00 3.12 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.47 3.92 0.00 2.08 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 2.29 2.38 0.00 32 D 7.94 4.37 0.00 2.87 2.96 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 33 Q 7.74 4.16 0.00 1.75 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.55 0.00 0.00 0.00 0.00 0.00 2.30 2.19 0.00 34 N 7.75 4.16 0.00 2.84 2.88 0.00 0.00 6.77 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.45 4.40 1.68 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.57 0.62 0.00 0.00 36 P 0.00 4.21 0.00 2.09 2.02 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 37 L 8.34 4.10 0.00 1.01 1.30 -0.27 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.68 4.43 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 1.16 0.00 0.00 39 N 8.40 4.26 0.00 2.75 2.84 0.00 0.00 6.51 8.49 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 40 D 8.02 4.37 0.00 2.87 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 41 M 7.98 3.90 0.00 1.71 1.94 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.95 0.00 42 K 7.99 3.90 0.00 1.93 1.87 0.00 1.61 0.00 0.00 1.52 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.28 1.56 7.81 43 A 8.08 4.05 1.41 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 0.00 0.00 44 Q 8.39 4.02 0.00 2.30 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.69 0.00 0.00 0.00 0.00 0.00 2.77 2.72 0.00 45 Y 8.52 4.16 0.00 3.11 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.19 3.86 0.00 2.16 2.32 0.00 1.34 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.61 7.81 47 T 7.90 3.86 4.37 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 1.22 0.00 0.00 48 I 8.05 3.65 1.93 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.71 0.84 0.00 0.00 49 N 8.23 4.09 0.00 1.78 2.44 0.00 0.00 7.28 7.88 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 50 Q 8.29 4.20 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.41 2.56 0.00 51 G 8.27 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 0.00 0.00 0.00 52 L 8.05 3.94 0.00 1.67 1.48 0.82 0.71 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 53 W 8.52 4.15 0.00 3.39 3.32 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 54 R 8.38 4.05 0.00 1.83 1.94 0.00 3.28 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 55 A 8.19 4.21 1.42 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 56 F 8.30 4.53 0.00 2.90 3.21 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 57 E 8.42 3.64 0.00 2.15 1.98 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 2.58 2.72 0.00 58 E 8.08 4.35 0.00 1.94 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 2.30 2.44 0.00 59 G 7.90 3.82 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 0.00 0.00 0.00 60 K 8.13 4.39 0.00 1.84 1.85 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.76 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.49 7.81 61 M 7.37 4.77 0.00 2.02 1.83 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.46 0.00 62 T 8.24 4.46 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 63 R 8.29 2.98 0.00 1.00 1.62 0.00 3.30 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.50 0.00 64 D 7.88 4.24 0.00 2.66 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 65 E 8.00 3.82 0.00 1.99 1.99 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 2.21 2.26 0.00 66 V 7.25 3.25 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 -0.22 0.00 0.00 0.44 0.00 0.00 67 V 7.25 3.64 2.36 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 0.79 0.00 0.00 0.95 0.00 0.00 68 N 8.57 4.74 0.00 2.79 2.84 0.00 0.00 6.49 6.60 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 69 T 7.94 4.66 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 70 R 7.51 3.78 0.00 1.71 2.11 0.00 2.67 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.51 0.00 71 F 7.87 4.49 0.00 3.15 3.05 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 0.00 72 S 8.20 4.21 0.00 4.10 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 A 8.32 4.03 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 74 L 8.19 4.24 0.00 2.07 2.15 1.29 0.93 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 75 L 8.36 4.38 0.00 1.95 1.92 0.77 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.14 4.20 0.00 2.18 1.86 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.53 7.81 77 E 7.94 4.06 0.00 1.93 1.64 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 2.30 2.55 0.00 78 Y 7.97 4.43 0.00 3.32 3.29 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 79 G 8.34 3.84 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 0.00 80 Y 8.33 4.72 0.00 3.03 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 81 E 8.79 4.69 0.00 1.99 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 82 A 8.23 4.64 1.21 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 83 D 8.51 4.70 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 84 G 8.94 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 0.00 0.00 0.00 0.00 85 A 8.02 4.31 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 8.05 3.90 0.00 1.79 1.82 0.88 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 87 L 7.97 3.89 0.00 1.89 1.31 0.86 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.55 4.27 0.00 2.50 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 2.56 2.49 0.00 89 Q 8.14 3.95 0.00 2.18 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.59 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 90 K 7.83 3.67 0.00 1.94 1.75 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.51 7.81 91 Y 8.30 4.26 0.00 2.84 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 92 R 8.36 3.90 0.00 2.17 2.15 0.00 3.28 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 93 R 7.35 3.77 0.00 1.73 1.54 0.00 3.18 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 1.39 1.52 0.00 94 F 7.49 4.55 0.00 3.14 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 95 L 8.15 3.80 0.00 1.29 1.67 0.62 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 96 E 8.21 4.15 0.00 2.06 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 2.37 2.47 0.00 97 E 8.10 4.57 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.53 0.00 98 G 7.74 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 99 H 7.78 5.03 0.00 3.34 3.36 0.00 5.58 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 Q 8.15 4.09 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.78 6.94 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 101 L 8.39 4.90 0.00 1.58 1.66 1.06 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 102 I 8.38 3.92 2.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.14 0.94 0.00 0.00 103 D 8.78 4.44 0.00 2.65 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 0.00 104 G 9.14 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 0.00 105 A 8.25 3.95 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 F 8.21 3.92 0.00 3.26 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 0.00 107 D 8.44 4.44 0.00 2.84 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 7.82 3.90 0.00 1.65 1.70 0.25 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 109 I 7.54 3.29 1.50 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.77 0.31 0.00 0.00 110 S 7.18 2.79 0.00 2.87 3.62 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 0.00 111 N 7.89 4.45 0.00 3.02 2.96 0.00 0.00 7.05 6.69 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 0.00 112 L 8.15 4.22 0.00 1.56 1.81 0.89 0.72 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 0.00 113 Q 7.66 3.87 0.00 1.90 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.01 0.00 0.00 0.00 0.00 0.00 2.31 2.73 0.00 114 Q 7.90 4.13 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.49 0.00 0.00 0.00 0.00 0.00 2.35 2.57 0.00 115 Q 7.90 4.37 0.00 1.25 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.17 2.34 0.00 116 F 8.14 5.03 0.00 2.89 2.96 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 0.00 117 D 9.13 4.76 0.00 2.91 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 0.00 118 L 8.26 5.39 0.00 1.21 1.51 0.38 0.96 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 0.00 119 Y 9.62 5.43 0.00 3.17 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 I 8.46 4.83 1.75 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 0.47 0.34 0.89 0.00 0.00 121 V 8.86 5.06 2.29 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 1.28 0.00 0.00 1.13 0.00 0.00 122 T 8.87 4.81 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 1.31 0.00 0.00 123 N 8.29 5.03 0.00 2.84 3.29 0.00 0.00 7.25 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 0.00 124 G 7.76 3.84 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 0.00 125 V 8.35 3.83 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 1.15 0.00 0.00 1.06 0.00 0.00 126 S 9.44 4.23 0.00 4.14 3.77 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 0.00 127 H 8.11 4.11 0.00 3.31 3.37 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 T 7.85 4.11 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 1.33 0.00 0.00 129 Q 8.40 4.03 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.78 0.00 0.00 0.00 0.00 0.00 2.62 2.57 0.00 130 Y 8.41 3.87 0.00 3.08 2.93 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 0.00 131 K 8.07 3.91 0.00 1.88 1.91 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.46 1.55 7.81 132 R 8.06 4.05 0.00 1.99 2.04 0.00 3.41 0.00 0.00 3.38 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.80 0.00 133 L 8.28 4.10 0.00 1.93 1.86 0.71 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 134 R 8.20 3.95 0.00 1.92 1.89 0.00 2.93 0.00 0.00 2.95 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.35 0.00 135 D 8.28 4.35 0.00 2.44 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 0.00 0.00 0.00 136 S 8.13 4.46 0.00 4.18 4.28 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 0.00 137 G 8.06 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 L 7.86 4.54 0.00 1.96 2.10 1.03 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 139 F 8.26 4.17 0.00 3.18 3.05 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 0.00 140 P 0.00 4.07 0.00 1.46 1.90 0.00 3.61 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 1.63 2.11 0.00 141 F 7.35 4.34 0.00 2.64 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 F 6.94 4.61 0.00 2.79 2.84 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 0.00 143 K 8.47 4.12 0.00 0.90 1.77 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.12 7.81 144 D 7.66 4.67 0.00 2.86 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 0.00 145 I 7.82 4.69 1.85 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.61 0.81 0.00 0.00 146 F 9.30 4.94 0.00 3.25 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 0.00 147 V 8.37 4.95 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 1.20 0.00 0.00 1.09 0.00 0.00 148 S 8.94 4.33 0.00 4.35 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 0.00 149 E 8.27 4.07 0.00 2.16 2.18 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 2.33 2.43 0.00 150 D 8.09 4.65 0.00 2.81 2.81 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 0.00 0.00 0.00 0.00 151 T 7.84 3.74 3.62 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 0.43 0.00 0.00 152 G 8.16 3.53 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 0.00 153 F 7.65 4.94 0.00 3.05 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 0.00 154 Q 8.27 4.32 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.05 0.00 0.00 0.00 0.00 0.00 1.89 1.16 0.00 155 K 7.68 3.81 0.00 1.54 1.89 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.67 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.63 0.46 7.81 156 P 0.00 5.01 0.00 2.26 2.48 0.00 3.78 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.96 0.00 157 M 8.38 4.20 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.47 0.00 158 K 8.79 4.12 0.00 1.76 1.83 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.11 7.81 159 E 7.84 3.88 0.00 1.16 1.12 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 1.55 2.00 0.00 160 Y 7.62 3.89 0.00 3.14 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 0.00 161 F 7.95 3.36 0.00 2.91 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 0.00 0.00 0.00 0.00 162 N 8.20 4.11 0.00 2.70 2.77 0.00 0.00 6.57 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 0.00 163 Y 7.32 3.94 0.00 2.99 2.81 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 0.00 0.00 0.00 0.00 164 V 6.88 2.55 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 -0.14 0.00 0.00 165 F 7.46 3.40 0.00 2.63 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 0.00 0.00 0.00 166 E 7.89 3.97 0.00 1.88 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 2.29 2.37 0.00 167 R 7.32 4.59 0.00 1.76 2.10 0.00 2.54 0.00 0.00 3.15 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.36 0.00 168 I 6.82 4.29 1.80 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.38 0.93 0.00 0.00 169 P 0.00 4.33 0.00 2.14 2.06 0.00 4.02 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.20 0.00 170 Q 8.83 3.45 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.91 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 171 F 8.30 4.15 0.00 3.18 2.99 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 0.00 172 S 7.64 3.95 0.00 3.67 3.51 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 0.00 173 A 7.82 3.45 1.11 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 0.00 174 E 7.87 3.90 0.00 1.78 1.71 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 2.06 2.21 0.00 175 H 7.90 5.03 0.00 3.16 3.38 0.00 5.80 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 T 7.91 5.21 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 177 L 8.63 4.67 0.00 0.39 0.87 0.84 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 178 I 8.16 4.86 1.99 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.73 1.01 0.00 0.00 179 I 8.25 4.87 1.15 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 0.74 0.20 0.89 0.00 0.00 180 G 8.70 4.80 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 0.00 0.00 0.00 181 D 9.04 5.10 0.00 2.88 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 0.00 182 S 8.58 4.57 0.00 3.89 3.94 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 0.00 183 L 8.67 3.40 0.00 1.51 1.40 0.59 0.18 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 0.00 184 T 7.66 3.84 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 185 A 7.93 4.01 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 0.00 186 D 8.16 4.69 0.00 2.92 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 0.00 187 I 7.40 3.73 1.81 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.59 0.74 0.00 0.00 188 K 8.13 3.93 0.00 1.79 1.96 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.38 7.81 189 G 7.80 3.84 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 0.00 190 G 7.66 3.05 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 0.00 0.00 0.00 0.00 191 Q 8.00 4.10 0.00 2.19 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.71 0.00 0.00 0.00 0.00 0.00 2.30 2.21 0.00 192 L 7.77 3.91 0.00 1.61 1.68 0.88 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 193 A 7.47 4.39 1.14 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 0.00 0.00 194 G 8.16 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 0.00 195 L 8.02 4.86 0.00 1.62 1.59 1.20 1.19 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 0.00 196 D 8.68 4.69 0.00 2.75 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 T 8.84 5.04 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 1.27 0.00 0.00 198 C 9.21 5.34 0.00 2.99 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 0.00 199 W 9.24 5.03 0.00 3.42 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 0.00 200 M 9.18 4.39 0.00 2.22 1.98 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.55 0.00 201 N 8.37 4.75 0.00 1.44 1.82 0.00 0.00 6.60 8.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 P 0.00 4.20 0.00 2.17 2.29 0.00 3.74 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.96 0.00 203 D 7.84 4.60 0.00 2.64 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 0.00 204 M 7.54 3.08 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.41 0.00 205 K 8.16 3.81 0.00 2.00 1.76 0.00 1.93 0.00 0.00 1.80 0.00 0.00 3.08 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.51 1.59 7.81 *211 I 8.11 3.73 1.63 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.37 0.72 0.00 0.00 212 I 7.85 4.20 1.83 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 1.45 0.48 0.89 0.00 0.00 213 P 0.00 4.57 0.00 2.51 2.08 0.00 3.81 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.25 0.00 214 T 8.06 3.82 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 0.68 0.00 0.00 215 Y 8.33 5.01 0.00 2.88 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 216 E 8.96 5.32 0.00 2.14 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 2.13 2.19 0.00 217 I 8.66 4.93 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 1.24 1.31 0.96 0.00 0.00 218 R 9.41 4.22 0.00 1.93 1.97 0.00 3.11 0.00 0.00 3.18 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 219 K 7.75 4.69 0.00 1.76 1.65 0.00 1.82 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.41 1.43 7.81 220 L 8.74 4.01 0.00 1.68 1.70 0.94 1.00 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 0.00 221 E 8.24 4.01 0.00 2.47 2.36 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 2.42 2.49 0.00 222 E 8.34 4.15 0.00 2.18 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 2.36 2.38 0.00 223 L 8.04 3.97 0.00 1.53 1.49 0.91 0.46 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 0.00 224 Y 7.63 4.19 0.00 3.05 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 0.00 225 H 8.30 4.24 0.00 3.24 3.34 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 226 I 7.35 3.60 1.57 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.70 -0.10 0.00 0.00 227 L 7.58 4.58 0.00 1.72 1.83 0.48 0.69 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 0.00 228 N 8.20 4.28 0.00 2.96 2.92 0.00 0.00 6.65 7.29 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 0.00 229 I 8.01 4.24 2.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.82 1.12 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.