NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.4770 8.3193 116.7976 58.5979 64.4353 172.0991 -1 N 4.9134 8.0830 118.5847 50.5493 40.5123 174.4210 0 A 4.1230 8.5512 118.2312 52.5017 18.7483 180.6069 0 L 4.1430 8.4712 116.2312 55.1017 42.0483 180.4069 3 L 4.2217 8.1361 119.7773 58.3116 41.9423 178.8109 4 S 4.1823 8.4482 114.7131 61.6989 62.8123 176.3032 5 K 4.4183 8.0832 119.3185 58.0081 31.7270 178.7156 6 K 3.5041 7.5854 120.3699 58.8122 32.0092 177.8224 7 S 4.3875 7.9092 112.1315 59.2748 63.3574 174.3409 8 E 4.4307 7.9673 120.1665 56.4259 31.9885 175.3347 9 Y 4.9110 7.8672 114.3869 55.8538 41.2840 176.2347 10 K 4.4444 8.9573 122.2418 56.4501 33.6859 176.0939 11 T 5.1709 8.2780 111.8878 59.9465 71.2315 174.1933 12 L 4.5526 7.9214 123.4698 54.4803 42.3662 177.3217 13 S 4.1483 8.8524 119.0455 59.1805 63.4574 175.0799 14 T 4.0548 8.3168 114.0886 61.7458 69.2203 174.4544 15 V 4.1445 7.8093 122.2714 61.5557 33.2592 174.2344 16 E 4.1903 8.7165 128.8144 57.8144 30.5780 176.0258 17 H 5.0971 7.6043 113.8236 53.8463 29.1746 171.6924 18 P 4.6789 0.0000 0.0000 62.4043 32.4680 177.0717 19 Q 4.1102 8.4263 119.0013 58.2463 29.6366 175.8730 20 Y 5.0023 8.2824 115.0410 56.0022 42.6561 174.5134 21 I 4.8544 8.5803 122.0524 59.1688 41.2906 174.1807 22 V 4.9971 8.6220 128.7538 61.1526 34.4096 173.8955 23 F 5.4836 9.5240 126.7007 56.0142 41.6958 174.1763 24 C 5.5774 9.1772 121.5573 57.6140 31.2648 173.2101 25 D 4.6510 9.1725 123.9125 54.4911 41.7795 175.6326 26 F 4.3499 9.2938 126.8951 59.8332 40.1571 174.2373 27 D 4.9622 8.1318 121.7322 54.1663 40.7051 176.2808 28 E 3.7991 9.1012 120.9228 57.6368 26.6395 174.6750 29 T 4.5588 7.0587 112.5058 64.3923 71.6615 175.0272 30 Y 3.8639 7.9118 124.6385 58.2788 39.7834 175.4970 31 F 4.6762 7.7332 121.6442 55.3620 39.9173 172.2215 32 P 3.9684 0.0000 0.0000 62.0712 31.7535 176.9352 33 H 3.8433 8.7359 119.4734 57.5964 28.9215 175.6581 34 T 4.2084 7.4264 115.3120 61.7357 69.2882 173.6052 35 I 4.1304 7.9677 128.6388 59.6249 38.1717 176.0423 36 D 4.7129 8.1100 132.2712 53.5266 42.1532 176.4003 37 E 4.0350 8.5514 115.6453 58.9957 30.1814 178.7964 38 Q 3.9146 7.8763 119.1223 59.2393 29.1857 178.3582 39 K 4.0384 9.0499 119.8419 59.3448 31.6688 179.1114 40 Q 3.6674 7.6640 119.6832 58.9914 28.8793 178.0918 41 Q 3.9197 7.6687 120.1235 58.5625 29.0924 177.6892 42 D 4.2044 8.0966 120.1550 57.3354 40.8442 178.3124 43 I 3.3957 7.1500 121.6075 64.2068 37.0816 177.9464 44 Y 4.4142 7.2819 116.6556 60.9100 37.6544 178.1961 45 E 3.9409 8.2207 120.3835 59.3185 29.7233 178.6805 46 L 3.9080 8.2961 120.6208 58.1806 42.0844 178.7135 47 E 3.8974 8.4045 118.6583 59.5474 29.3915 179.1699 48 D 4.2584 8.3716 119.0442 57.2364 40.9194 178.1011 49 Y 3.9603 8.1229 120.0573 60.8001 38.7681 178.2226 50 L 4.0354 8.2526 120.0115 57.7947 41.6494 179.2086 51 E 3.8131 7.9750 119.3287 59.1192 29.5598 178.6799 52 Q 3.8747 7.9679 119.7084 59.1587 29.1266 178.3746 53 K 3.9214 7.8449 119.4284 59.1083 31.9428 179.6820 54 S 4.0883 8.2222 115.9220 61.5529 62.6011 176.6283 55 K 4.0858 7.9869 120.8985 59.2776 31.9993 177.7323 56 D 4.6285 7.9296 116.8755 54.1227 40.8660 177.1401 57 G 3.8844 8.2917 108.7569 45.9911 0.0000 175.0649 58 E 4.2651 8.6483 124.0581 58.3627 30.6525 176.1724 59 L 5.6468 7.8985 116.6257 55.3721 43.3193 174.5090 60 I 4.6366 8.1625 112.7360 59.1889 41.3018 173.9660 61 I 4.9550 8.3397 122.2465 59.3950 41.4762 174.0196 62 G 3.3575 8.4560 114.6964 43.8226 0.0000 171.0655 63 W 5.4232 7.9142 120.7618 55.2499 31.0225 175.2991 64 V 4.8979 8.9426 125.4406 61.5790 32.8463 174.3273 65 T 4.6533 9.2785 121.3864 61.1917 70.9362 174.0503 66 G 4.0744 8.9462 112.9700 47.3785 0.0000 173.7736 67 S 5.0951 8.2679 116.4904 57.7808 65.5133 173.5614 68 S 5.1961 8.1968 114.5085 56.1935 64.8325 175.5344 69 I 3.6811 8.5990 122.8254 65.0547 36.6113 177.9422 70 E 3.9292 8.3375 118.3844 59.9897 29.3155 179.2056 71 S 4.0633 8.0010 111.8128 61.7167 62.3045 176.3143 72 I 3.4250 7.6417 121.2410 64.3658 36.8473 178.1771 73 L 4.0051 8.0000 119.1820 57.4656 41.7814 178.7732 74 D 4.4455 7.6815 118.4371 56.9232 41.4197 178.5601 75 K 4.1748 7.6269 119.6135 56.1203 32.0938 179.5841 *77 G 3.9134 8.0574 109.0902 45.8163 0.0000 176.2610 78 R 3.9570 7.5769 117.6821 58.0763 30.1702 177.9371 79 G 3.7344 7.7563 105.0791 45.0220 0.0000 173.5203 80 K 3.9726 7.4042 118.4256 57.4996 30.0219 175.8991 81 F 5.1103 8.2578 115.4857 58.0184 39.9704 175.7756 82 R 4.8149 10.6400 121.7299 56.5450 32.7153 175.5764 83 Y 5.3189 8.5134 115.4969 55.9245 40.9613 175.7822 84 F 3.9896 9.1843 122.7623 56.4764 40.4690 173.7647 85 P 4.4127 0.0000 0.0000 62.0093 32.4633 175.9692 86 H 4.6144 8.4183 115.3720 58.6851 29.5708 175.9481 87 F 5.5623 7.6859 110.8690 55.4748 41.8383 173.4571 88 I 4.9737 9.0008 120.4312 59.5577 40.6044 174.2982 89 A 4.9312 9.3516 129.8125 50.9259 20.5335 176.0310 90 S 4.8297 8.6363 116.3147 55.5443 66.7189 172.7207 91 D 4.3958 9.4373 120.2709 56.4028 37.9895 174.2165 92 L 3.5230 9.4459 111.6550 55.5954 40.4179 176.7034 93 G 4.6096 8.4640 105.3534 46.9992 0.0000 174.9957 94 T 4.3795 7.7839 108.6008 62.1196 69.6075 174.3291 95 E 4.8773 8.0072 123.7084 55.1561 33.4781 173.3130 96 I 4.9118 8.5189 126.8463 59.7669 40.3932 174.5154 97 T 4.6654 8.4073 122.6049 61.8104 72.5687 172.5281 98 Y 5.1284 8.1358 122.7688 56.2863 41.1164 174.9961 99 F 4.7627 9.1405 121.2148 55.8552 41.8673 174.2748 100 S 4.7148 8.5898 117.1629 56.9164 65.9036 173.9985 101 E 4.1486 9.0360 120.4733 59.7629 29.3800 177.6315 102 H 4.6828 8.1266 113.7684 57.7164 29.7530 175.1120 103 N 5.0793 8.3990 117.1946 52.2000 39.2177 174.5865 104 F 3.9821 8.3212 120.4406 59.7826 39.9047 174.4921 105 G 3.3693 7.5251 116.2813 45.5107 0.0000 172.4907 106 Q 4.0885 7.4920 121.7697 55.5808 29.9559 175.2085 107 Q 4.4478 8.5743 127.9846 55.7320 30.5288 174.8183 108 D 4.6798 8.8547 126.1201 54.3155 41.5831 176.6627 109 N 4.5048 9.0481 125.2386 55.9287 38.7044 177.3834 110 K 4.0579 8.2795 120.9601 59.1326 32.4266 178.3924 111 W 3.8541 8.6652 128.7280 60.4663 30.3469 177.3006 112 N 4.1088 7.8187 115.1421 56.6962 38.7498 176.4745 113 S 4.1552 8.1383 114.3826 61.2380 62.5534 175.7964 114 R 3.9148 7.7719 121.6801 59.5870 29.5802 178.3195 115 I 3.6009 6.8073 110.1117 62.9568 37.8583 177.2109 116 N 4.5845 7.8134 118.1149 55.2067 38.1422 176.8605 117 E 4.1297 7.8718 119.3818 58.5721 29.6101 178.0748 118 G 3.9938 7.8148 105.1523 44.4589 0.0000 172.0958 119 F 4.8441 7.9547 122.6464 56.0087 40.5531 175.2190 120 S 4.5153 7.6895 122.0862 55.4946 67.4002 174.5864 121 K 3.7401 8.2817 123.3217 59.2711 31.9202 178.4897 122 E 3.8045 8.0803 119.3381 59.2276 29.4985 178.4563 123 K 3.8573 7.4826 118.3015 59.7734 32.2670 178.8682 124 V 3.0065 7.2985 117.9477 65.7212 31.2916 177.8403 125 E 3.8784 8.4382 118.8542 59.2168 29.2498 179.4459 126 K 3.9471 8.1503 118.7834 59.0895 32.0538 179.1705 127 L 3.0247 7.3517 120.5471 57.7720 41.7984 179.2146 128 V 3.4000 7.3672 118.0450 65.8153 31.2533 177.6089 129 K 3.8215 7.5969 118.0284 59.8118 32.0149 178.1102 130 Q 4.0994 7.7770 118.5096 59.0932 29.2799 177.5287 131 L 4.2005 8.0239 120.1374 57.3773 42.5438 176.8816 132 H 4.8817 7.5965 120.8977 56.2264 27.0463 175.4825 *136 N 4.6057 7.9881 124.7536 51.8018 39.6726 174.8648 137 I 4.5952 8.2674 120.5171 60.0177 39.6079 175.7379 138 L 4.8497 8.3317 123.9708 53.0815 44.3851 176.2366 139 L 4.6691 7.6716 117.0745 52.5712 44.0958 176.3714 140 N 4.4805 7.7993 117.0271 53.8923 37.4475 175.4481 *153 N 4.6562 7.8025 115.0114 52.3664 40.5129 174.6726 154 F 5.0475 6.8064 119.6641 56.4278 44.3688 173.9715 155 Y 5.1559 9.2921 120.3294 57.1681 41.5396 173.5352 *156 Y 3.1755 8.6996 122.5790 56.4310 35.9686 171.7727 *167 N 4.5619 8.1336 115.3789 53.8054 39.5116 175.5670 168 L 4.0409 8.0506 125.8258 57.5594 42.1412 178.8329 169 L 3.9930 7.9160 119.5217 58.0278 41.9711 178.6945 170 A 3.9567 7.9625 120.4488 54.8450 18.3669 179.4682 171 I 3.6587 7.4548 117.4395 64.8242 37.3802 178.5849 172 E 4.1283 8.3078 121.5630 59.6146 29.2676 180.3068 173 K 4.0224 8.6237 124.3911 59.9731 31.9734 182.2506 174 I 4.0429 8.1361 121.8892 64.4464 37.0349 178.2488 175 C 4.2553 8.4353 119.9222 63.5578 27.9692 176.7882 176 E 4.0318 8.1732 119.2556 61.3198 29.1650 180.8755 177 E 4.2266 7.9668 118.1418 58.8905 29.5905 178.1727 178 Y 4.3428 7.9283 113.8249 56.7008 38.4511 175.6664 179 G 3.9487 8.0218 107.9251 46.8332 0.0000 173.6521 180 V 4.6506 7.7016 111.8084 59.2634 35.3372 174.2595 181 S 5.0344 8.9639 115.9214 56.8671 66.3483 173.0684 182 V 4.7050 8.0266 120.8326 60.5972 33.8280 173.5991 183 N 4.5608 9.4140 126.4029 52.6597 39.6275 174.0263 184 I 4.7221 8.2743 128.4925 59.9312 38.3035 174.8749 185 N 4.9830 8.5527 125.1280 51.1181 40.6376 174.9306 186 R 4.2109 8.6980 124.7682 55.9527 31.1002 175.6203 187 C 4.1251 8.6786 121.3969 60.3913 31.0009 173.9558 *199 D 4.6035 7.7906 120.5330 53.6188 41.5617 177.8295 200 V 4.4250 8.6474 125.1111 60.3371 33.6096 174.2578 201 D 5.2180 8.6074 127.4065 52.5173 44.1282 174.9891 202 F 5.3636 8.9232 122.0725 56.6737 40.6255 174.9085 203 I 4.2909 8.7383 115.0170 58.2956 41.5802 172.5585 204 P 4.2178 0.0000 0.0000 62.3384 31.7862 176.4872 205 I 3.9012 8.2373 123.1229 60.5674 39.5013 174.7466 206 G 4.2131 8.6364 110.3530 47.1929 0.0000 174.3199 207 T 4.7623 7.8733 106.4192 60.8729 69.4829 174.1309 208 G 4.0952 8.0294 109.0159 44.7280 0.0000 175.0472 209 K 4.0904 8.5432 120.0451 59.1441 32.0263 179.5026 210 N 4.2933 8.0944 117.1628 55.7857 37.4525 177.1624 211 E 4.0450 8.1665 120.4525 59.3417 29.5028 178.8558 212 I 3.2648 7.5089 118.6380 64.3838 37.2000 178.3382 213 V 3.2632 7.5371 117.6199 66.3070 31.6826 177.6513 214 T 4.1170 7.8836 115.4063 66.7328 68.2429 176.2257 215 F 4.1370 8.2890 119.2258 58.9281 39.1908 176.6337 *217 L 4.3769 7.8251 118.4307 54.5384 43.4597 178.9344 218 E 3.8604 8.1725 117.8661 59.3341 29.5917 179.2264 219 K 3.4613 7.4612 118.3868 59.0941 32.0398 176.8141 220 Y 4.5064 7.6683 112.2462 56.9357 38.5386 174.8740 221 N 4.1642 7.6633 115.9571 54.8176 36.4302 173.4868 222 L 4.8417 7.8135 115.9419 52.8335 45.2919 175.8309 223 N 5.1933 8.1190 116.1238 50.7340 40.5452 175.3660 224 T 4.1378 8.5954 109.2573 64.8083 68.5644 175.1929 225 E 4.3201 8.1902 117.0965 57.1554 30.1682 176.7486 226 R 4.7511 8.7032 118.5724 56.1828 31.8359 175.0625 227 A 5.2103 7.8518 122.6868 50.9643 20.6665 176.5580 228 I 5.0578 8.9397 122.7810 59.6585 41.2303 174.6284 229 A 5.3486 8.6907 125.5633 50.8051 23.1783 175.1513 230 F 5.8357 8.6938 117.8020 55.0493 43.5892 174.4191 231 G 4.8216 8.6672 108.4922 45.2437 0.0000 172.2319 232 D 5.0220 9.1129 115.5782 52.4874 41.6530 174.9630 233 S 4.9445 8.4491 113.5906 55.9251 66.1280 174.8035 234 G 3.6078 8.6745 111.2906 48.6931 0.0000 174.9589 235 N 4.5745 8.1222 114.6322 53.0309 37.1446 175.1203 236 D 4.7249 7.5874 117.1405 54.9590 41.7542 178.0402 237 V 3.6450 7.7412 119.6582 66.1338 31.7545 178.1103 238 R 3.8447 8.0362 116.4610 57.2292 30.1197 178.1222 *240 L 4.2136 7.9578 120.3145 54.6616 43.4298 178.7839 241 Q 4.2395 7.7190 115.8139 57.5380 29.2568 177.2377 242 T 4.0946 7.7833 113.9338 65.9592 68.9077 175.7558 243 V 3.9914 7.4854 113.1542 60.7172 32.3689 176.3691 244 G 3.6967 9.0380 110.0382 48.5373 0.0000 173.8932 245 N 5.0029 8.1401 117.0612 51.0432 38.7776 173.1457 246 G 4.3239 7.7671 105.3711 44.1864 0.0000 170.7804 247 Y 5.0683 9.0613 124.5345 56.0440 41.1106 175.0777 248 L 5.0673 8.3849 122.5671 53.4992 44.0039 176.6249 249 L 4.4713 9.0651 125.7684 54.9827 42.4671 179.2258 250 K 3.9790 8.0589 121.4600 57.5657 31.6954 178.8453 251 N 4.5011 7.7197 112.4331 53.1039 37.3949 175.1346 252 A 4.3482 7.4358 122.0528 52.0089 19.2049 178.0410 253 T 4.0227 8.2351 110.7769 61.5962 69.6046 175.5981 254 Q 3.9076 8.7120 124.2847 59.2096 28.9081 178.0155 255 E 3.9246 8.3030 118.2993 59.5956 29.7096 178.9333 256 A 4.1484 7.5232 118.7536 55.3304 18.3303 179.8977 257 K 4.0231 8.0246 115.4492 59.2533 32.1612 178.3873 258 N 4.6679 8.3607 114.7707 53.6903 38.9335 175.4157 259 L 4.5725 7.7602 119.4366 54.9233 43.1959 176.1311 260 H 4.6071 7.8957 117.1495 55.3175 32.4851 172.4948 261 N 4.6958 8.4672 122.9792 52.7436 38.6152 174.8444 262 L 4.3106 7.1483 123.4487 54.7198 40.2376 175.9539 263 I 4.5405 7.4480 120.3827 61.8147 38.5895 177.6717 264 T 4.5152 8.7655 121.4029 62.9148 69.2215 175.2925 265 D 4.4618 8.7795 123.5707 56.2633 41.6138 177.0453 266 S 4.7737 7.7825 114.2140 56.4167 65.4512 172.5223 267 E 4.4801 8.2358 120.0983 55.8394 31.7609 177.1209 268 Y 3.7049 7.7795 116.9188 58.5327 36.2401 171.9398 269 S 3.7964 8.7980 119.4537 62.5368 62.9999 174.4585 270 K 3.9055 7.5985 119.9227 57.6880 32.5651 175.0249 271 G 4.0350 8.8283 113.1213 46.2455 0.0000 175.6492 272 I 2.4737 7.0497 119.4725 64.0597 36.9831 178.3785 273 T 3.3523 7.7135 116.5292 66.7860 68.2203 176.2943 274 N 4.1435 7.9439 117.5149 56.7224 38.5560 177.4659 275 T 3.6815 7.4215 117.0123 66.5711 68.4336 176.8024 276 L 3.9554 7.9100 120.9887 57.5018 41.2908 179.7179 277 K 4.3176 7.4791 119.9602 58.6081 31.6253 179.5657 278 K 3.8359 7.1957 117.8123 59.5052 32.1539 179.1563 279 L 4.1973 7.5740 117.1383 56.3222 41.7025 177.8674 280 I 3.8911 8.5986 117.5360 62.1105 39.7935 175.2908 281 G 4.2508 6.4637 104.9374 43.1627 0.0000 173.4900 282 F 4.5340 8.4475 118.0962 57.5678 39.1860 176.2979 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 S 8.32 4.48 0.00 3.89 3.90 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 -1 N 8.08 4.91 0.00 3.00 2.93 0.00 0.00 5.87 6.34 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 A 8.55 4.12 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 0 L 8.47 4.14 0.00 1.45 1.61 0.92 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.14 4.22 0.00 2.01 1.72 1.08 0.87 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 4 S 8.45 4.18 0.00 4.02 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 5 K 8.08 4.42 0.00 2.44 2.49 0.00 1.73 0.00 0.00 1.92 0.00 0.00 3.23 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.87 1.97 7.81 6 K 7.59 3.50 0.00 0.79 1.45 0.00 1.37 0.00 0.00 1.53 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.11 0.48 7.81 7 S 7.91 4.39 0.00 4.04 3.91 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 8 E 7.97 4.43 0.00 1.85 1.59 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 2.10 2.24 0.00 9 Y 7.87 4.91 0.00 3.15 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 10 K 8.96 4.44 0.00 0.79 1.37 0.00 1.07 0.00 0.00 1.44 0.00 0.00 2.84 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.30 1.14 7.81 11 T 8.28 5.17 4.41 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 1.54 0.00 0.00 12 L 7.92 4.55 0.00 1.37 1.61 0.77 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 13 S 8.85 4.15 0.00 3.92 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.32 4.05 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 1.23 0.00 0.00 15 V 7.81 4.14 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 1.04 0.00 0.00 16 E 8.72 4.19 0.00 1.87 1.80 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 1.47 2.11 0.00 17 H 7.60 5.10 0.00 3.14 3.17 0.00 5.76 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 18 P 0.00 4.68 0.00 2.15 1.79 0.00 3.34 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.12 0.00 19 Q 8.43 4.11 0.00 2.14 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 20 Y 8.28 5.00 0.00 2.86 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 21 I 8.58 4.85 1.78 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.60 1.01 0.00 0.00 22 V 8.62 5.00 2.17 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 1.22 0.00 0.00 1.04 0.00 0.00 23 F 9.52 5.48 0.00 3.02 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 24 C 9.18 5.58 0.00 3.23 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 25 D 9.17 4.65 0.00 2.92 2.67 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 26 F 9.29 4.35 0.00 3.08 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 27 D 8.13 4.96 0.00 3.04 3.09 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 28 E 9.10 3.80 0.00 2.23 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 1.92 2.29 0.00 29 T 7.06 4.56 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 30 Y 7.91 3.86 0.00 2.90 2.47 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 31 F 7.73 4.68 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 3.97 0.00 1.35 0.49 0.00 3.31 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.31 0.00 33 H 8.74 3.84 0.00 2.98 3.21 0.00 5.62 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.43 4.21 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 1.14 0.00 0.00 35 I 7.97 4.13 1.77 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.32 0.79 0.00 0.00 36 D 8.11 4.71 0.00 2.82 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 37 E 8.55 4.04 0.00 1.99 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 2.32 2.29 0.00 38 Q 7.88 3.91 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.68 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 39 K 9.05 4.04 0.00 1.83 1.66 0.00 1.71 0.00 0.00 1.31 0.00 0.00 3.00 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.41 1.50 7.81 40 Q 7.66 3.67 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.83 0.00 0.00 0.00 0.00 0.00 2.28 1.95 0.00 41 Q 7.67 3.92 0.00 2.33 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 42 D 8.10 4.20 0.00 2.72 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 I 7.15 3.40 1.76 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.68 0.79 0.00 0.00 44 Y 7.28 4.41 0.00 3.12 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 45 E 8.22 3.94 0.00 2.16 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 2.29 2.34 0.00 46 L 8.30 3.91 0.00 1.53 1.59 0.79 0.70 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 47 E 8.40 3.90 0.00 2.31 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 2.48 2.57 0.00 48 D 8.37 4.26 0.00 2.85 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 8.12 3.96 0.00 3.08 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 50 L 8.25 4.04 0.00 1.82 1.70 1.12 1.01 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 51 E 7.97 3.81 0.00 1.68 1.72 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 2.36 2.35 0.00 52 Q 7.97 3.87 0.00 2.20 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 53 K 7.84 3.92 0.00 1.58 1.69 0.00 1.55 0.00 0.00 1.43 0.00 0.00 2.49 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.73 0.73 7.81 54 S 8.22 4.09 0.00 4.06 4.18 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 55 K 7.99 4.09 0.00 1.86 1.96 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.49 7.81 56 D 7.93 4.63 0.00 2.81 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.29 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.65 4.27 0.00 2.11 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 2.35 2.48 0.00 59 L 7.90 5.65 0.00 1.90 1.68 0.99 0.74 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 60 I 8.16 4.64 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.51 0.54 0.00 0.00 61 I 8.34 4.95 1.90 0.00 0.00 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 1.30 1.28 0.83 0.00 0.00 62 G 8.46 3.36 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 0.00 63 W 7.91 5.42 0.00 3.16 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 64 V 8.94 4.90 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 1.01 0.00 0.00 1.21 0.00 0.00 65 T 9.28 4.65 4.36 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 1.25 0.00 0.00 66 G 8.95 4.07 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 0.00 0.00 0.00 67 S 8.27 5.10 0.00 3.93 4.07 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 68 S 8.20 5.20 0.00 3.91 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 69 I 8.60 3.68 1.92 0.00 0.00 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 1.71 1.10 0.99 0.00 0.00 70 E 8.34 3.93 0.00 2.01 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 2.44 2.42 0.00 71 S 8.00 4.06 0.00 3.87 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 72 I 7.64 3.42 1.89 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.56 0.59 0.00 0.00 73 L 8.00 4.01 0.00 1.78 1.77 1.03 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 74 D 7.68 4.45 0.00 2.69 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 75 K 7.63 4.17 0.00 1.51 0.74 0.00 1.70 0.00 0.00 1.43 0.00 0.00 3.15 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.19 1.45 7.81 *77 G 8.06 3.91 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 0.00 0.00 0.00 78 R 7.58 3.96 0.00 2.00 2.09 0.00 3.20 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 1.67 1.61 0.00 79 G 7.76 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 80 K 7.40 3.97 0.00 2.29 2.14 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.61 7.81 81 F 8.26 5.11 0.00 3.15 3.30 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 82 R 10.64 4.81 0.00 2.03 1.95 0.00 2.85 0.00 0.00 2.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.98 0.00 83 Y 8.51 5.32 0.00 2.90 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 84 F 9.18 3.99 0.00 2.89 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 85 P 0.00 4.41 0.00 1.50 0.66 0.00 2.94 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.44 0.00 86 H 8.42 4.61 0.00 3.45 3.59 0.00 5.60 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 F 7.69 5.56 0.00 2.92 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 88 I 9.00 4.97 2.06 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.61 0.98 0.00 0.00 89 A 9.35 4.93 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 90 S 8.64 4.83 0.00 3.90 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 91 D 9.44 4.40 0.00 2.95 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 92 L 9.45 3.52 0.00 1.76 1.74 0.92 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 93 G 8.46 4.61 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 94 T 7.78 4.38 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 1.20 0.00 0.00 95 E 8.01 4.88 0.00 2.13 1.82 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 2.29 2.41 0.00 96 I 8.52 4.91 1.56 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 -0.36 0.43 0.00 0.00 97 T 8.41 4.67 4.06 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 0.60 0.00 0.00 98 Y 8.14 5.13 0.00 2.78 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 99 F 9.14 4.76 0.00 2.89 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 0.00 100 S 8.59 4.71 0.00 3.87 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 E 9.04 4.15 0.00 1.94 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 2.28 2.40 0.00 102 H 8.13 4.68 0.00 3.21 3.33 0.00 5.69 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 N 8.40 5.08 0.00 2.77 2.84 0.00 0.00 6.52 8.98 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 0.00 104 F 8.32 3.98 0.00 3.14 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 G 7.53 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 Q 7.49 4.09 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.96 0.00 0.00 0.00 0.00 0.00 2.48 2.34 0.00 107 Q 8.57 4.45 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.85 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 108 D 8.85 4.68 0.00 2.84 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 N 9.05 4.50 0.00 2.83 2.89 0.00 0.00 6.71 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 0.00 110 K 8.28 4.06 0.00 1.97 2.32 0.00 1.79 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.90 1.65 7.81 111 W 8.67 3.85 0.00 2.99 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 0.00 112 N 7.82 4.11 0.00 2.77 3.05 0.00 0.00 7.24 8.05 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 0.00 113 S 8.14 4.16 0.00 3.94 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 R 7.77 3.91 0.00 1.93 1.43 0.00 3.28 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 115 I 6.81 3.60 1.47 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.45 -0.28 0.00 0.00 116 N 7.81 4.58 0.00 3.03 2.90 0.00 0.00 6.57 7.06 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 0.00 117 E 7.87 4.13 0.00 2.12 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 0.00 2.31 2.31 0.00 118 G 7.81 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 0.00 119 F 7.95 4.84 0.00 2.79 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 0.00 120 S 7.69 4.52 0.00 3.91 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 0.00 121 K 8.28 3.74 0.00 1.74 1.75 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.43 7.81 122 E 8.08 3.80 0.00 2.02 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 2.36 2.36 0.00 123 K 7.48 3.86 0.00 1.86 1.73 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.58 1.60 7.81 124 V 7.30 3.01 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 0.02 0.00 0.00 0.44 0.00 0.00 125 E 8.44 3.88 0.00 2.14 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 126 K 8.15 3.95 0.00 1.98 1.97 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.67 7.81 127 L 7.35 3.02 0.00 0.85 1.27 0.58 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 128 V 7.37 3.40 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 0.92 0.00 0.00 0.58 0.00 0.00 129 K 7.60 3.82 0.00 1.99 1.82 0.00 1.88 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.60 7.81 130 Q 7.78 4.10 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.71 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 131 L 8.02 4.20 0.00 1.86 1.83 0.90 0.84 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 0.00 132 H 7.60 4.88 0.00 3.19 3.37 0.00 5.80 0.00 0.00 0.00 0.00 6.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *136 N 7.99 4.61 0.00 2.81 2.72 0.00 0.00 6.83 7.72 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 0.00 137 I 8.27 4.60 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 1.31 1.08 0.92 0.00 0.00 138 L 8.33 4.85 0.00 1.55 1.47 1.00 0.92 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 0.00 139 L 7.67 4.67 0.00 1.73 1.82 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 140 N 7.80 4.48 0.00 2.22 2.73 0.00 0.00 6.89 8.00 0.00 0.00 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 N 7.80 4.66 0.00 2.98 3.23 0.00 0.00 6.66 7.45 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 0.00 154 F 6.81 5.05 0.00 2.96 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 Y 9.29 5.16 0.00 2.87 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 *156 Y 8.70 3.18 0.00 2.50 2.17 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 *167 N 8.13 4.56 0.00 2.76 2.87 0.00 0.00 6.88 6.74 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 0.00 168 L 8.05 4.04 0.00 1.70 1.71 0.93 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 169 L 7.92 3.99 0.00 1.72 1.67 0.93 1.12 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 0.00 170 A 7.96 3.96 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 I 7.45 3.66 2.05 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.99 0.93 0.00 0.00 172 E 8.31 4.13 0.00 2.22 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 2.34 2.33 0.00 173 K 8.62 4.02 0.00 1.72 1.81 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.35 7.81 174 I 8.14 4.04 1.87 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 1.56 1.14 0.90 0.00 0.00 175 C 8.44 4.26 0.00 3.25 3.28 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 0.00 176 E 8.17 4.03 0.00 2.01 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 2.24 2.22 0.00 177 E 7.97 4.23 0.00 2.17 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 0.00 2.35 2.38 0.00 178 Y 7.93 4.34 0.00 2.92 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 0.00 179 G 8.02 3.95 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 0.00 0.00 0.00 180 V 7.70 4.65 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.04 0.00 0.00 181 S 8.96 5.03 0.00 3.86 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 0.00 182 V 8.03 4.71 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 0.69 0.00 0.00 0.56 0.00 0.00 183 N 9.41 4.56 0.00 2.81 2.73 0.00 0.00 6.64 7.81 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 0.00 184 I 8.27 4.72 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.64 0.90 0.00 0.00 185 N 8.55 4.98 0.00 2.59 2.72 0.00 0.00 6.96 7.72 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 0.00 186 R 8.70 4.21 0.00 1.78 1.83 0.00 3.23 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 187 C 8.68 4.13 0.00 3.10 3.03 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 *199 D 7.79 4.60 0.00 2.42 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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7.83 4.38 0.00 2.19 1.80 1.16 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 218 E 8.17 3.86 0.00 2.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 219 K 7.46 3.46 0.00 1.14 1.34 0.00 1.55 0.00 0.00 1.18 0.00 0.00 2.60 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.34 0.93 7.81 220 Y 7.67 4.51 0.00 3.01 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 221 N 7.66 4.16 0.00 2.87 2.88 0.00 0.00 6.73 7.60 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 0.00 222 L 7.81 4.84 0.00 1.70 1.59 0.92 0.88 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 0.00 223 N 8.12 5.19 0.00 2.83 2.88 0.00 0.00 5.65 7.22 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 0.00 224 T 8.60 4.14 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 1.32 0.00 0.00 225 E 8.19 4.32 0.00 2.14 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 2.30 2.41 0.00 226 R 8.70 4.75 0.00 1.69 1.86 0.00 3.00 0.00 0.00 3.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.82 0.00 227 A 7.85 5.21 1.52 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 0.00 0.00 228 I 8.94 5.06 1.94 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.99 0.75 0.00 0.00 229 A 8.69 5.35 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 0.00 230 F 8.69 5.84 0.00 3.06 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 0.00 231 G 8.67 4.82 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 0.00 232 D 9.11 5.02 0.00 2.76 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 0.00 233 S 8.45 4.94 0.00 3.88 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 0.00 234 G 8.67 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 0.00 235 N 8.12 4.57 0.00 2.87 2.94 0.00 0.00 5.95 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 0.00 236 D 7.59 4.72 0.00 2.86 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 0.00 237 V 7.74 3.64 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 0.75 0.00 0.00 0.99 0.00 0.00 238 R 8.04 3.84 0.00 1.90 1.94 0.00 3.22 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.68 0.00 *240 L 7.96 4.21 0.00 1.74 1.40 0.94 0.81 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 0.00 241 Q 7.72 4.24 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 7.02 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 242 T 7.78 4.09 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 1.19 0.00 0.00 243 V 7.49 3.99 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 0.70 0.00 0.00 0.99 0.00 0.00 244 G 9.04 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 0.00 245 N 8.14 5.00 0.00 2.82 2.96 0.00 0.00 6.71 8.78 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 0.00 246 G 7.77 4.32 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 0.00 247 Y 9.06 5.07 0.00 2.76 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 0.00 248 L 8.38 5.07 0.00 1.68 1.62 1.02 0.95 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 0.00 249 L 9.07 4.47 0.00 1.53 1.55 0.97 0.57 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 0.00 250 K 8.06 3.98 0.00 1.82 1.73 0.00 1.80 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.25 7.81 251 N 7.72 4.50 0.00 2.47 2.51 0.00 0.00 5.99 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 0.00 252 A 7.44 4.35 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 0.00 253 T 8.24 4.02 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 0.00 254 Q 8.71 3.91 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.83 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 255 E 8.30 3.92 0.00 1.98 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 2.33 2.41 0.00 256 A 7.52 4.15 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 0.00 257 K 8.02 4.02 0.00 1.87 1.90 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.63 7.81 258 N 8.36 4.67 0.00 2.79 2.85 0.00 0.00 6.88 7.47 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 0.00 259 L 7.76 4.57 0.00 1.74 1.70 0.93 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 260 H 7.90 4.61 0.00 3.02 3.13 0.00 5.90 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 0.00 261 N 8.47 4.70 0.00 2.81 2.85 0.00 0.00 6.16 7.79 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 0.00 262 L 7.15 4.31 0.00 1.50 1.52 0.75 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 263 I 7.45 4.54 1.89 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 1.36 0.56 0.93 0.00 0.00 264 T 8.77 4.52 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 1.23 0.00 0.00 265 D 8.78 4.46 0.00 2.65 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 0.00 266 S 7.78 4.77 0.00 3.89 3.66 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 0.00 267 E 8.24 4.48 0.00 1.57 1.62 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 2.05 2.14 0.00 268 Y 7.78 3.70 0.00 3.10 2.50 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 0.00 269 S 8.80 3.80 0.00 3.69 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 0.00 270 K 7.60 3.91 0.00 1.60 1.62 0.00 1.58 0.00 0.00 1.63 0.00 0.00 3.17 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.40 7.81 271 G 8.83 4.04 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 0.00 0.00 0.00 272 I 7.05 2.47 1.61 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 -0.04 0.45 0.00 0.00 273 T 7.71 3.35 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 0.85 0.00 0.00 274 N 7.94 4.14 0.00 2.59 2.77 0.00 0.00 7.02 7.05 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 0.00 275 T 7.42 3.68 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 0.49 0.00 0.00 276 L 7.91 3.96 0.00 1.33 1.66 0.93 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 277 K 7.48 4.32 0.00 1.66 1.01 0.00 1.56 0.00 0.00 1.85 0.00 0.00 3.07 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.28 0.99 7.81 278 K 7.20 3.84 0.00 1.73 1.81 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.51 7.81 279 L 7.57 4.20 0.00 1.61 1.53 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 280 I 8.60 3.89 1.94 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 -0.17 0.10 0.83 0.00 0.00 281 G 6.46 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 0.00 282 F 8.45 4.53 0.00 3.08 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 * Residues marked with a * may have inaccurate shift predictions.