NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 S 4.4560 8.3349 116.7956 58.4785 64.9458 174.3504 23 I 3.6444 7.6044 119.8172 60.5188 37.4321 174.6312 24 I 3.7973 8.5279 126.0501 61.5306 38.5061 175.3369 25 G 4.1259 8.3596 112.7579 43.7950 0.0000 173.7477 26 A 4.2191 8.5156 124.1994 53.6542 18.5815 178.1848 27 E 4.8323 7.9742 114.6143 56.2068 31.0454 177.7812 28 D 4.3206 8.2025 122.2249 57.4837 41.2173 178.6421 29 E 4.2062 8.1828 118.1427 58.9687 29.9239 178.6757 30 D 4.2104 7.6542 118.1125 56.5817 40.8564 177.2571 31 F 4.7581 7.6387 114.2183 57.1750 39.5052 176.3681 32 E 4.0813 7.8599 121.6838 60.4175 29.3789 180.4260 33 N 4.8298 8.0451 112.5662 53.5228 38.0642 174.6084 34 E 4.6847 8.3642 117.9885 54.7699 32.2103 176.6640 *46 F 4.5454 8.3835 121.5449 57.3947 40.5223 176.5122 47 Q 4.2182 8.5400 123.7947 58.7517 29.5404 175.7046 48 S 4.7110 7.5907 109.9774 55.3607 66.3694 174.4277 49 L 3.8842 8.7002 123.1327 58.5609 41.6172 178.8040 50 E 4.1537 8.2514 117.1828 59.2214 29.4494 177.7624 51 Q 4.2139 7.8552 117.7701 56.9261 29.5072 176.0943 52 V 4.2755 8.0545 117.8031 61.3483 32.7715 177.2136 53 K 4.3088 8.1451 119.0544 58.7292 32.6377 177.4373 54 R 4.4883 7.9356 116.6939 56.0078 31.3914 176.6971 55 R 4.4691 7.6189 118.7909 53.3559 30.3728 174.4366 56 P 4.2531 0.0000 0.0000 65.5617 31.4324 178.0269 57 A 3.9501 7.9101 118.6910 55.5959 18.4873 179.2828 58 H 4.4026 8.2221 114.2713 58.9630 28.8044 177.6792 59 L 4.1064 8.3082 122.3184 58.3948 41.9193 178.9545 60 M 4.1123 8.3890 118.6365 58.0775 31.7803 178.6410 61 A 4.2730 8.0117 121.2046 55.1031 18.5989 179.2976 62 L 3.3150 7.7796 118.4812 58.1531 42.1242 178.8382 63 L 4.0305 8.5481 119.2173 58.0699 41.5559 179.3909 64 Q 4.0494 8.5847 119.4271 59.5025 28.9356 177.7536 65 H 4.1451 8.7580 119.5302 59.5446 30.0134 177.2761 66 V 3.8653 8.8224 120.2844 66.1338 31.0948 177.8092 67 A 4.0509 8.1259 119.7305 54.7694 18.3150 178.8940 68 L 4.2273 7.6066 115.2258 55.7784 42.0588 177.7848 69 Q 4.0576 7.2883 115.5796 58.5736 30.7472 174.8790 70 F 5.1272 7.7926 118.8757 56.5669 40.8580 174.9619 71 E 4.4245 8.9804 125.7865 55.7522 29.6406 175.2801 72 P 4.5550 0.0000 0.0000 65.1410 31.3030 178.4889 73 G 3.7966 8.1829 105.8126 47.5496 0.0000 173.2104 74 P 4.2450 0.0000 0.0000 65.2693 31.3820 178.4019 75 L 3.9038 7.8509 118.1169 58.2269 42.2012 178.8658 76 L 3.9728 7.9338 118.5876 57.5722 41.4573 179.1624 77 C 2.8613 7.9710 119.0344 62.3361 31.5048 175.4572 78 C 4.1373 7.8656 118.2594 62.6199 27.4232 176.1212 79 L 3.6224 7.4382 120.0308 57.8586 41.2585 178.9008 80 H 4.4685 8.0637 115.8572 58.4299 28.6407 177.5552 81 A 3.3392 7.8065 122.8157 55.1322 17.9499 179.0542 82 D 4.5142 7.9676 116.1079 57.7095 40.9050 178.4053 83 M 4.0330 7.5537 117.6843 58.2377 32.3045 177.8318 84 L 4.2849 8.2517 118.9809 55.9317 43.0262 177.6917 85 G 3.9302 7.1262 107.4163 43.3496 0.0000 172.1556 *93 K 4.3428 8.0008 123.1364 56.7559 34.1788 177.2386 94 K 4.2011 7.9542 117.0208 58.7543 32.4748 176.9763 95 A 4.7072 7.7643 121.0041 51.8281 18.9621 177.4883 96 F 4.9629 8.0724 121.7453 58.3311 42.0276 176.0791 97 L 4.1065 8.0415 121.9164 57.7785 41.7360 178.2403 98 D 4.4451 8.1871 118.4857 57.5195 40.9633 178.0767 99 F 4.5674 8.5228 120.4948 61.8203 39.2021 176.5672 100 Y 3.6823 7.7711 118.4411 60.9238 38.4956 177.1717 101 H 4.4912 8.2960 114.2911 57.4453 28.7709 176.7369 102 S 4.2728 7.8598 116.3689 58.9481 63.7073 175.7617 103 F 4.4948 7.7381 117.0786 57.1264 41.6383 177.2345 104 L 3.6540 7.4526 119.0456 57.0945 42.0311 177.0000 105 E 3.4635 7.1866 119.7275 56.0466 29.7038 177.6305 106 K 3.7788 8.6441 127.4181 58.8467 32.2366 176.6871 107 T 4.3439 7.5189 105.6207 61.2742 69.6859 174.5473 108 A 4.0034 7.6514 125.8801 52.1828 18.8142 178.2419 109 V 3.6845 8.2396 120.5411 65.0845 31.6604 176.2786 110 L 4.7515 6.8642 120.1360 53.6852 41.8878 176.8029 111 R 4.1540 8.0946 118.3019 56.9449 30.8445 175.9312 112 V 4.7410 8.0064 116.9844 58.4237 35.8249 173.8236 113 P 4.2592 0.0000 0.0000 62.9096 31.6245 175.8717 114 V 4.3892 7.9833 122.3317 60.0097 33.8404 174.0022 115 P 4.4366 0.0000 0.0000 61.8917 32.9590 175.7733 116 P 4.2443 0.0000 0.0000 65.9461 31.7041 178.1770 117 N 4.5589 8.3248 114.6882 56.6947 38.5436 177.1051 118 V 3.6079 7.9514 118.2486 66.0658 31.5538 177.4196 119 A 4.1451 7.8452 117.1298 53.5530 18.1824 177.9284 120 F 4.8105 7.8724 119.0505 59.6931 40.8826 175.6325 121 E 4.3593 8.0687 122.6268 56.1593 27.9949 177.8088 *134 V 3.7174 8.4529 124.7258 63.7941 33.0976 176.9615 135 Q 3.7903 7.6724 119.4475 59.2139 28.5938 178.3837 136 R 4.0946 7.6630 118.2552 58.4019 30.2542 178.9647 137 R 3.7874 7.7399 118.4792 59.2795 29.7782 178.6358 138 F 4.5245 7.4564 116.9089 60.8119 39.0161 177.4026 139 V 3.8889 7.8037 116.1465 66.5183 31.4138 177.9153 140 Q 3.9654 8.1361 118.9131 59.0902 28.8448 177.9854 141 E 3.9336 8.7350 120.6870 59.3597 29.5887 178.5244 142 V 3.6411 8.7441 117.9060 66.3851 31.6945 177.8319 143 V 3.7347 7.9097 117.5855 66.0806 31.2027 177.5903 144 Q 4.0098 7.9308 119.1041 59.0768 28.5540 177.6729 145 S 4.6847 7.8382 112.3611 58.8585 63.5694 175.0078 146 Q 4.4877 8.1216 122.0244 56.4594 29.7649 177.3733 147 Q 3.9429 7.5370 118.6496 59.2391 28.9285 179.3635 148 V 3.5206 7.8312 117.9129 66.1270 31.5828 177.7639 149 A 3.9336 7.8639 119.8655 55.1654 18.3458 179.5687 150 V 3.7143 8.3843 117.1086 65.4946 31.5490 178.5930 151 G 3.5790 8.5996 106.5701 47.7037 0.0000 176.0793 152 R 3.8810 7.7887 120.0056 58.9120 30.0132 178.9278 153 Q 3.3432 7.5412 117.3224 58.8563 28.6431 179.0222 154 L 4.0060 7.8921 119.6835 57.8238 41.6412 179.2302 155 E 3.9421 8.2615 119.0183 59.4389 29.6113 178.2480 156 D 4.3807 8.7089 118.3369 57.4743 41.3050 178.0361 157 F 3.8646 8.6792 121.3970 61.3047 39.4845 177.3869 158 R 4.0051 8.5000 118.1420 59.1001 29.9511 179.2778 159 S 4.0883 8.2972 115.1453 61.6667 62.8369 176.8666 160 K 3.9006 8.0358 121.1524 59.3407 31.6449 179.4030 161 R 3.5556 7.5650 120.3347 58.6716 29.7180 178.3394 162 L 3.9857 7.5095 118.6573 58.0609 42.1454 178.0134 163 M 4.3217 7.6335 115.8242 54.9004 32.1569 176.9368 164 G 3.8228 7.9196 107.6027 46.5848 0.0000 174.1577 165 M 4.2988 8.5661 117.8285 54.9313 31.8650 176.1285 166 T 4.4529 7.0797 109.9264 58.6200 71.0706 172.1952 167 P 4.1016 0.0000 0.0000 63.7525 32.1375 176.0321 168 W 3.9620 8.1361 118.8660 57.3789 26.6656 176.3437 169 E 4.0846 8.3072 120.2880 59.2122 29.1634 176.9704 170 Q 4.0334 8.1813 119.3019 59.4590 28.7945 178.2126 171 E 4.0672 8.3774 118.9300 59.5063 29.5523 179.2063 172 L 4.2002 8.3297 118.4417 57.0091 41.6034 179.5000 173 A 4.0713 8.1510 121.3493 55.3367 18.2501 179.4727 174 Q 4.0476 8.2710 116.6356 59.0758 28.5389 179.2253 175 L 4.1211 7.9859 120.2174 58.3747 42.4521 178.7243 176 E 4.2739 8.3278 116.4123 58.7182 29.3740 178.7479 177 A 4.1836 8.0210 121.3137 53.2705 19.2121 176.9060 178 W 4.2270 7.3527 125.6570 57.1945 31.6239 175.6834 179 V 4.0027 7.0673 123.2218 60.3454 33.9578 174.4297 180 G 3.6173 6.8884 112.3411 46.1040 0.0000 172.7533 181 R 4.4786 8.3370 115.4968 55.8541 31.3347 177.5672 182 D 4.7016 7.7632 119.5016 52.1691 39.3259 175.6970 183 R 4.0341 8.3479 124.1142 59.1685 30.3161 176.8788 184 A 4.0202 8.1731 119.8674 55.5207 18.2475 179.6470 185 S 4.1362 8.2530 111.6007 61.1594 63.2807 175.8586 186 Y 3.8793 8.1441 123.7876 60.6268 38.5323 177.3081 187 E 3.8288 8.6173 119.7340 59.2068 29.4294 179.1906 188 A 3.7654 7.6400 120.3714 55.1381 18.5371 179.8442 189 R 3.6696 7.3567 116.3935 59.2480 29.9635 179.0896 190 E 3.7540 7.4125 118.1709 59.3602 29.4371 179.6161 191 R 3.7770 7.8487 117.9694 59.7181 29.8133 178.7315 192 H 4.5601 7.9861 117.2779 58.3033 28.5655 178.0668 193 V 3.4940 7.6490 119.2378 65.7301 31.3110 177.8470 194 A 3.8477 8.1490 120.8854 55.1038 18.0048 179.3009 195 E 3.8839 8.4736 117.3343 59.7129 29.6216 179.7209 196 R 3.8472 7.4558 117.3437 59.3554 30.0753 179.1843 197 L 3.2501 7.6671 118.6161 57.4337 41.4360 179.3705 198 L 3.9459 8.4347 120.9067 58.3278 41.9919 178.6318 199 M 3.9854 8.6917 118.6041 58.8987 31.7457 177.6829 200 H 4.6983 8.1968 119.7873 58.2594 29.8545 177.0454 201 L 4.2107 8.1437 122.0401 58.0857 42.0244 178.4635 202 E 4.1544 8.2355 117.6587 60.2676 29.6541 178.3830 203 E 3.9014 8.2333 117.6638 59.0203 30.3579 177.1338 204 M 4.5545 7.5742 123.9782 54.2726 29.5282 175.8334 205 Q 4.5470 7.5519 117.1799 55.5655 31.0269 177.8707 206 H 4.2405 8.1192 114.0554 57.9479 28.3343 175.8587 207 T 4.2930 7.5171 108.8237 62.7356 69.5799 176.0041 208 I 3.8233 8.8370 124.2118 64.0500 37.2105 175.9420 209 S 4.5994 7.3755 110.6622 57.1922 65.1592 174.0081 210 T 3.8430 8.5365 119.4567 65.0460 67.4612 173.7853 211 D 4.3860 8.0732 123.4286 54.5619 41.0892 175.9831 212 E 3.9818 8.7767 127.4405 59.4886 29.4729 178.8416 213 E 3.9506 8.2020 118.7996 58.9959 29.6920 178.1933 214 K 3.9041 8.8588 120.5657 59.3996 32.3558 178.7668 215 S 4.0731 8.3846 114.3751 61.4634 62.6360 176.1639 216 A 4.1652 7.7346 123.5367 54.2741 18.5005 179.3131 217 A 3.9269 8.0809 119.7376 54.9198 18.3437 180.1392 218 V 3.4806 8.0874 117.3369 66.1992 31.7077 178.4548 219 V 3.6218 7.7050 117.9068 66.2543 31.3382 177.7827 220 N 4.5211 8.4718 116.0289 56.1538 38.3269 177.3391 221 A 4.2345 8.0423 122.4754 55.2007 18.3784 179.7974 222 I 4.0046 8.2229 118.6463 64.2284 37.1679 178.8369 223 G 3.7783 8.6377 107.0561 47.8046 0.0000 174.9748 224 L 4.0849 8.0208 122.3321 58.3400 42.3839 178.1240 225 Y 4.2323 8.2271 118.8097 61.0404 38.7016 178.0356 226 M 3.9764 9.0606 120.7460 58.4678 32.0730 178.5369 227 R 3.9093 8.7872 119.4609 59.8466 29.9644 177.8111 228 H 4.2347 7.7841 115.8592 57.7997 29.8249 176.0845 229 L 4.5025 7.5383 119.1891 54.1254 41.8373 176.6052 230 G 3.7203 7.7628 106.5504 45.8203 0.0000 173.5809 231 V 4.2627 7.6164 118.6709 60.6732 33.0089 175.0209 232 R 4.7219 8.2543 125.0545 54.6783 34.1658 175.2686 233 T 4.1650 8.3923 108.8227 61.8837 69.0209 174.5083 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 22 S 8.33 4.46 0.00 3.88 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 23 I 7.60 3.64 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 1.42 0.58 0.91 0.00 0.00 24 I 8.53 3.80 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.74 0.92 0.00 0.00 25 G 8.36 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.52 4.22 1.31 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 0.00 0.00 27 E 7.97 4.83 0.00 2.09 2.15 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 2.37 2.34 0.00 28 D 8.20 4.32 0.00 3.02 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.18 4.21 0.00 2.03 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 2.42 2.35 0.00 30 D 7.65 4.21 0.00 2.54 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 0.00 0.00 0.00 31 F 7.64 4.76 0.00 3.09 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 7.86 4.08 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 33 N 8.05 4.83 0.00 2.72 2.85 0.00 0.00 6.68 7.66 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 34 E 8.36 4.68 0.00 2.07 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 2.45 2.65 0.00 *46 F 8.38 4.55 0.00 3.19 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 47 Q 8.54 4.22 0.00 2.05 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 48 S 7.59 4.71 0.00 3.99 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 49 L 8.70 3.88 0.00 1.76 1.69 0.87 0.72 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 50 E 8.25 4.15 0.00 1.97 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 2.30 2.45 0.00 51 Q 7.86 4.21 0.00 2.22 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.46 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 52 V 8.05 4.28 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 0.85 0.00 0.00 0.78 0.00 0.00 53 K 8.15 4.31 0.00 2.02 2.00 0.00 1.59 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.61 1.51 7.81 54 R 7.94 4.49 0.00 1.81 1.98 0.00 3.19 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 55 R 7.62 4.47 0.00 1.74 1.91 0.00 3.37 0.00 0.00 3.47 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 56 P 0.00 4.25 0.00 2.09 2.07 0.00 3.56 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 57 A 7.91 3.95 1.24 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 58 H 8.22 4.40 0.00 3.19 3.23 0.00 5.82 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.31 4.11 0.00 2.14 1.92 0.95 1.11 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 60 M 8.39 4.11 0.00 2.07 2.23 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.85 0.00 61 A 8.01 4.27 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 0.00 0.00 0.00 0.00 0.00 62 L 7.78 3.32 0.00 1.20 1.74 0.48 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.55 4.03 0.00 2.12 1.81 0.94 1.22 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 64 Q 8.58 4.05 0.00 2.44 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.79 0.00 0.00 0.00 0.00 0.00 2.61 2.55 0.00 65 H 8.76 4.15 0.00 3.69 3.84 0.00 5.84 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 8.82 3.87 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 1.16 0.00 0.00 1.17 0.00 0.00 67 A 8.13 4.05 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 68 L 7.61 4.23 0.00 1.49 1.65 0.95 1.34 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 69 Q 7.29 4.06 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.60 0.00 0.00 0.00 0.00 0.00 1.97 1.82 0.00 70 F 7.79 5.13 0.00 3.03 2.92 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 71 E 8.98 4.42 0.00 1.99 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 2.32 2.42 0.00 72 P 0.00 4.55 0.00 2.31 2.36 0.00 3.75 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 2.10 2.05 0.00 73 G 8.18 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 0.00 0.00 0.00 74 P 0.00 4.25 0.00 2.16 2.12 0.00 3.89 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 2.13 2.18 0.00 75 L 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0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 84 L 8.25 4.28 0.00 1.72 1.67 0.81 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 85 G 7.13 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 0.00 0.00 0.00 *93 K 8.00 4.34 0.00 1.72 1.90 0.00 1.70 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.55 7.81 94 K 7.95 4.20 0.00 1.91 1.90 0.00 1.74 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.57 1.47 7.81 95 A 7.76 4.71 1.33 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 96 F 8.07 4.96 0.00 3.11 3.26 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 97 L 8.04 4.11 0.00 1.90 1.75 0.94 1.19 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 98 D 8.19 4.45 0.00 2.89 2.85 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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7.81 107 T 7.52 4.34 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 1.19 0.00 0.00 108 A 7.65 4.00 1.09 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 0.00 0.00 109 V 8.24 3.68 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 0.82 0.00 0.00 0.90 0.00 0.00 110 L 6.86 4.75 0.00 0.97 1.32 0.65 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 111 R 8.09 4.15 0.00 1.80 1.76 0.00 3.23 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 112 V 8.01 4.74 2.27 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 0.95 0.00 0.00 0.94 0.00 0.00 113 P 0.00 4.26 0.00 2.17 2.06 0.00 3.73 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 114 V 7.98 4.39 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.89 0.00 0.00 115 P 0.00 4.44 0.00 2.26 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0.00 0.00 0.00 7.59 6.70 0.00 0.00 0.00 0.00 0.00 1.94 1.16 0.00 136 R 7.66 4.09 0.00 1.78 1.87 0.00 3.12 0.00 0.00 3.28 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 137 R 7.74 3.79 0.00 1.49 1.78 0.00 2.90 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.47 0.00 138 F 7.46 4.52 0.00 3.32 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 0.00 139 V 7.80 3.89 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 0.84 0.00 0.00 1.29 0.00 0.00 140 Q 8.14 3.97 0.00 2.21 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.60 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 141 E 8.74 3.93 0.00 2.36 2.13 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 2.38 2.37 0.00 142 V 8.74 3.64 2.43 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 0.94 0.00 0.00 1.19 0.00 0.00 143 V 7.91 3.73 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 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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 0.00 169 E 8.31 4.08 0.00 2.09 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 2.40 2.48 0.00 170 Q 8.18 4.03 0.00 2.27 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.68 0.00 0.00 0.00 0.00 0.00 2.50 2.60 0.00 171 E 8.38 4.07 0.00 2.38 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 172 L 8.33 4.20 0.00 2.16 1.87 0.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 173 A 8.15 4.07 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 0.00 174 Q 8.27 4.05 0.00 2.33 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.77 0.00 0.00 0.00 0.00 0.00 2.45 2.58 0.00 175 L 7.99 4.12 0.00 1.80 1.84 0.85 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 176 E 8.33 4.27 0.00 2.19 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 2.53 2.69 0.00 177 A 8.02 4.18 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 W 7.35 4.23 0.00 3.35 3.33 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 0.00 179 V 7.07 4.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.81 0.00 0.00 180 G 6.89 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 0.00 0.00 0.00 181 R 8.34 4.48 0.00 1.78 1.93 0.00 3.18 0.00 0.00 3.12 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 182 D 7.76 4.70 0.00 2.89 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 0.00 183 R 8.35 4.03 0.00 1.98 2.00 0.00 3.29 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.84 0.00 184 A 8.17 4.02 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 0.00 185 S 8.25 4.14 0.00 4.00 4.17 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.14 3.88 0.00 3.41 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 0.00 187 E 8.62 3.83 0.00 2.11 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 2.35 2.62 0.00 188 A 7.64 3.77 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 0.00 189 R 7.36 3.67 0.00 1.51 1.66 0.00 2.72 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.09 0.00 190 E 7.41 3.75 0.00 1.95 1.83 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 1.90 1.54 0.00 191 R 7.85 3.78 0.00 1.76 1.83 0.00 2.99 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.73 0.00 192 H 7.99 4.56 0.00 3.19 3.24 0.00 5.62 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 V 7.65 3.49 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 0.96 0.00 0.00 0.95 0.00 0.00 194 A 8.15 3.85 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 0.00 195 E 8.47 3.88 0.00 2.10 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 2.46 2.51 0.00 196 R 7.46 3.85 0.00 1.73 1.83 0.00 3.03 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.86 0.00 197 L 7.67 3.25 0.00 1.52 1.23 0.63 -0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 198 L 8.43 3.95 0.00 1.75 1.84 0.95 0.83 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 0.00 199 M 8.69 3.99 0.00 2.27 2.04 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 2.60 2.56 0.00 200 H 8.20 4.70 0.00 3.51 3.61 0.00 5.69 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 201 L 8.14 4.21 0.00 1.83 1.92 1.03 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 202 E 8.24 4.15 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 203 E 8.23 3.90 0.00 2.08 1.83 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 2.33 2.71 0.00 204 M 7.57 4.55 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 205 Q 7.55 4.55 0.00 2.23 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.87 0.00 0.00 0.00 0.00 0.00 2.30 2.63 0.00 206 H 8.12 4.24 0.00 3.25 3.53 0.00 5.71 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 0.00 207 T 7.52 4.29 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 1.28 0.00 0.00 208 I 8.84 3.82 1.93 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 1.20 0.70 0.92 0.00 0.00 209 S 7.38 4.60 0.00 3.78 3.67 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 0.00 0.00 0.00 0.00 210 T 8.54 3.84 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 0.00 211 D 8.07 4.39 0.00 2.73 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 0.00 212 E 8.78 3.98 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 213 E 8.20 3.95 0.00 2.02 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 2.34 2.33 0.00 214 K 8.86 3.90 0.00 1.83 1.95 0.00 1.56 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.48 7.81 215 S 8.38 4.07 0.00 4.31 4.14 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 0.00 216 A 7.73 4.17 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 0.00 217 A 8.08 3.93 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 0.00 218 V 8.09 3.48 2.28 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 1.02 0.00 0.00 0.98 0.00 0.00 219 V 7.70 3.62 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 0.99 0.00 0.00 1.03 0.00 0.00 220 N 8.47 4.52 0.00 2.84 2.89 0.00 0.00 6.96 7.39 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 0.00 221 A 8.04 4.23 1.51 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 0.00 0.00 222 I 8.22 4.00 1.95 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.08 1.00 0.00 0.00 223 G 8.64 3.78 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 0.00 0.00 0.00 224 L 8.02 4.08 0.00 1.75 2.12 0.96 0.99 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 0.00 225 Y 8.23 4.23 0.00 3.29 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 226 M 9.06 3.98 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.91 0.00 227 R 8.79 3.91 0.00 1.90 2.19 0.00 3.10 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 228 H 7.78 4.23 0.00 3.12 3.17 0.00 5.78 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 L 7.54 4.50 0.00 1.59 1.53 0.94 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 230 G 7.76 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 0.00 0.00 0.00 231 V 7.62 4.26 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 0.82 0.00 0.00 0.85 0.00 0.00 232 R 8.25 4.72 0.00 1.75 1.74 0.00 3.21 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 233 T 8.39 4.17 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 1.28 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.