NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 H 4.7687 8.4293 117.8747 56.0264 29.9365 170.8793 0 H 4.6170 8.7370 115.8607 53.4457 32.2174 171.3018 2 L 4.7147 9.0775 120.7324 53.4479 45.3463 176.2681 3 I 4.8836 8.9692 128.7944 60.1602 38.9013 174.8504 4 I 4.7171 8.7529 128.9756 59.9677 38.7631 175.1777 5 L 5.2297 8.3256 126.9413 53.9411 44.0207 176.1418 6 T 4.9391 8.2665 115.6516 60.3380 71.1625 172.9895 7 G 4.5308 8.7089 118.4643 45.9060 0.0000 172.3452 8 L 4.3543 7.5112 121.0187 53.5786 42.3645 175.2454 9 P 4.3669 0.0000 0.0000 64.6262 30.8600 177.1804 10 G 4.0063 9.0429 110.9085 45.3118 0.0000 175.2320 11 V 3.6150 7.4145 118.8032 62.7572 31.7276 176.9272 12 G 4.2878 7.7588 111.4525 45.8310 0.0000 176.0390 13 K 4.0665 8.5875 120.2172 59.5624 32.0808 179.0610 14 S 4.3902 8.0249 115.8374 61.3915 62.8671 176.7448 15 T 3.8892 8.0036 117.7957 66.6806 68.2438 175.9441 16 F 4.3799 8.6470 122.7087 61.6451 39.3232 177.2040 17 S 4.0431 8.5455 114.7669 61.6908 62.7026 176.8562 18 K 3.8687 8.0188 120.8874 59.4965 31.7790 179.1571 19 N 3.8039 7.7466 116.4719 56.0972 38.3774 177.0850 20 L 3.7431 7.5195 121.7164 58.2032 41.9917 179.0262 21 A 3.9212 8.1744 120.9851 54.8680 18.2817 179.7742 22 K 3.7859 7.8252 117.0099 59.5467 32.2117 179.5358 23 I 3.5591 7.5164 119.8623 64.5558 37.0851 178.3412 24 L 3.7850 7.7918 119.5834 57.8608 41.3187 179.7915 25 S 4.0724 7.7635 112.9004 61.4210 62.2558 176.3490 26 K 4.1725 7.7259 119.5763 58.8493 31.7254 177.7750 27 N 4.6699 7.4207 115.2592 52.0591 39.0451 174.2354 28 N 4.1083 8.4024 117.4213 55.0785 37.8723 174.0508 29 I 4.3963 7.2670 116.2091 59.1363 40.1454 176.0200 30 D 4.6993 8.8231 127.5298 53.9936 41.4137 175.6427 31 V 5.1772 8.2425 122.7445 59.7973 34.7829 174.8398 32 I 4.6158 8.7439 121.6941 59.3024 41.7375 173.8574 33 V 4.8835 8.4151 127.8793 61.3958 32.8731 174.7860 34 L 4.9494 8.8413 127.4637 53.1114 45.7410 175.8648 35 G 4.6275 8.8033 108.3105 43.7432 0.0000 173.7197 36 S 4.7603 9.9417 119.2897 60.9584 62.6400 176.6097 37 D 4.4612 8.3386 121.7173 57.2184 40.2733 178.4160 38 L 3.9789 7.6751 118.6270 58.2545 41.9898 179.5621 39 I 3.9582 7.7035 118.5323 64.1851 37.2388 177.9453 40 R 4.2322 8.0727 120.0562 59.8434 29.9008 177.4553 41 E 4.5698 8.5690 113.9656 57.1690 29.3799 177.4337 42 S 4.4265 8.5865 115.2742 59.0847 63.4074 174.0852 43 F 4.7325 7.7183 120.4110 55.0278 40.0911 174.3579 44 P 4.4734 0.0000 0.0000 65.1837 31.2891 176.3991 45 V 4.6709 7.7112 109.2481 59.0055 35.4887 173.9628 46 W 4.6992 8.5650 130.3554 55.8343 32.2647 175.4524 47 K 3.4740 6.0306 122.4976 53.0555 35.6404 176.4698 48 E 3.4296 7.8174 123.6451 59.2837 29.1808 179.3947 49 K 3.9798 7.3393 116.3287 59.5286 32.8406 178.1691 50 Y 4.2870 7.4442 118.8165 60.6480 37.6713 177.2851 51 E 3.9991 7.7264 120.0636 59.6583 29.5825 178.8953 52 E 3.8801 8.3018 118.3457 59.5108 29.6216 178.4501 53 F 4.2265 8.3003 119.7527 61.4951 39.4972 176.7812 54 I 3.5998 8.2535 119.6794 64.2368 36.9278 178.3287 55 K 3.5772 8.4304 120.5688 59.2152 32.0851 178.6634 56 K 3.7776 7.9200 119.8507 59.7666 32.2032 178.8187 57 S 3.9278 8.1390 115.5224 61.7047 62.5966 177.0187 58 T 3.8784 7.6904 118.3134 66.9634 68.3026 176.3947 59 Y 4.3775 8.0647 118.6604 61.1037 37.8405 178.7361 60 R 3.9298 8.1355 119.5952 59.4397 30.1981 178.4321 61 L 3.9662 7.7569 118.0366 57.9529 41.7131 179.3107 62 I 3.6793 7.9024 119.5906 64.6081 36.8894 177.7202 63 D 4.3209 8.3465 117.5920 57.6559 41.0940 178.4182 64 S 4.2057 8.7904 114.5324 61.1304 62.8741 176.2205 65 A 4.1838 8.6128 125.1086 54.7522 18.0089 178.6897 66 L 4.3241 7.9173 117.4298 55.9709 42.0689 178.3580 67 K 3.8217 7.1438 116.1629 58.7585 32.2470 177.0955 68 N 4.5424 7.5641 112.5547 52.3890 40.3668 173.2274 69 Y 5.1906 7.8054 115.0167 55.6122 43.0806 174.8580 70 W 4.3613 9.6211 121.3874 57.0243 30.8021 175.8592 71 V 4.9343 8.3475 121.7931 61.5257 34.5551 173.9366 72 I 4.8384 8.6601 129.6661 59.8876 38.7365 175.5854 73 V 4.0254 9.1694 129.6315 62.5154 32.1349 174.4045 74 D 5.0719 9.2041 130.5067 53.2762 40.2687 174.5492 75 D 4.9099 8.1240 121.7942 52.8488 45.6423 175.6522 76 T 4.3580 8.7830 115.7993 66.4443 68.9830 175.5320 77 N 4.6638 8.3027 116.9939 54.5736 36.1157 174.8989 78 Y 3.7354 8.0639 114.2949 58.2233 39.2306 175.0490 79 Y 5.1054 7.1570 118.6670 56.1673 40.2685 175.6788 80 N 4.6187 8.9704 121.0054 55.8273 38.0170 178.3990 81 S 4.5899 7.9934 113.9860 58.0546 62.5180 176.2799 *83 R 4.2974 8.1475 121.7796 57.4676 32.1797 178.0919 84 R 3.2936 8.5759 117.8002 59.5368 29.8025 178.1856 85 D 4.3002 7.7476 117.0761 57.5402 41.0813 178.7767 86 L 3.8353 7.5289 118.8182 57.3787 41.6790 179.2648 87 I 3.3022 7.3811 119.8708 64.3184 36.8728 177.9792 88 N 4.0927 8.2045 117.6165 56.3478 38.2867 177.5876 89 I 3.6204 7.4059 120.8204 64.3830 37.2919 178.3000 90 A 4.0375 7.8316 121.1051 54.8462 18.2428 179.3751 91 K 2.5580 8.4841 118.6379 59.0749 32.0133 178.7582 92 K 3.5925 7.6871 118.9110 59.3300 32.0658 177.3798 93 Y 4.2583 7.3438 112.8790 56.1713 39.1617 175.2665 94 N 3.5418 7.2825 117.4583 54.7983 37.7592 173.2250 95 K 4.7280 8.1473 116.5604 54.4185 36.0582 177.9868 96 N 4.8160 8.4793 119.4524 53.5611 39.8628 173.6930 97 Y 5.3184 8.0278 118.1314 55.3355 41.7937 174.5143 98 A 4.5385 8.8981 122.1478 50.4327 22.4340 175.0968 99 I 4.7229 8.7643 123.9364 61.0456 39.2083 175.0911 100 I 4.9202 9.6174 129.1295 59.7790 39.7924 174.0524 101 Y 5.1375 8.8101 130.1377 56.7961 39.9247 174.0288 102 L 4.7357 9.0197 128.1299 53.2213 42.8597 176.1063 103 K 4.3340 8.3181 125.0555 54.6112 35.4242 174.5339 104 A 4.4759 7.8710 122.0971 50.9996 21.9038 176.6547 105 S 4.2727 8.3944 116.1088 57.9414 63.9572 174.9713 106 L 3.8008 8.5132 123.7889 58.5434 41.3990 178.7590 107 D 4.2627 8.0225 117.2694 57.6459 41.0918 178.4846 108 V 3.6147 7.6787 118.0168 65.7872 31.3725 178.0864 109 L 3.9618 7.7837 118.2550 57.9684 41.6530 179.2652 110 I 3.6792 7.9321 119.8722 64.3772 37.0884 178.7348 111 R 3.8914 7.9842 118.8410 59.5088 30.0781 179.4461 112 R 3.9924 8.1884 117.8081 59.0613 30.0089 178.6794 113 N 4.4025 8.4756 117.3977 56.5315 38.9427 177.0993 114 I 3.7248 7.7663 121.3642 64.4094 37.0561 178.1299 115 E 4.1433 7.9463 117.0335 58.2846 29.2926 178.3953 116 R 4.4817 7.2928 115.9012 55.6357 30.6574 177.0357 117 G 3.8708 7.8186 108.0504 44.1947 0.0000 173.2458 118 E 3.9730 7.9396 118.5260 56.6369 28.5585 175.5526 119 K 3.8888 8.4484 118.0920 58.7155 32.3080 177.3316 120 I 4.1629 7.4462 119.6153 58.5480 37.7727 173.6855 121 P 4.2228 0.0000 0.0000 63.2675 31.5655 176.6504 122 N 4.2018 9.1275 119.9996 56.5359 38.4438 176.7701 123 E 3.9295 8.2813 118.2684 59.7095 29.0715 179.4499 124 V 3.5152 7.6473 117.9345 65.6507 31.7321 177.3819 125 I 3.8653 7.7921 117.5701 64.5381 37.3344 177.9388 126 K 4.1823 8.1877 118.8548 59.3286 31.8860 181.7168 127 K 4.3211 7.8965 118.7002 56.4646 31.8221 178.6196 *129 Y 4.5126 7.9176 121.8035 57.8245 40.3845 176.5708 130 E 4.4431 8.3103 117.0638 58.3293 29.6910 177.6032 131 K 4.6285 7.9074 116.6555 55.6837 33.2766 175.4306 132 F 4.3919 8.0037 121.5550 57.8458 39.7257 174.6832 133 D 4.1737 8.2332 127.1458 54.2097 41.2171 176.0914 134 E 4.0149 8.7669 126.2810 55.3521 30.5270 174.1425 135 P 4.3934 0.0000 0.0000 64.7603 31.1462 175.2517 136 G 3.9762 9.1583 110.7164 45.4486 0.0000 175.1410 137 K 3.8431 7.5514 119.4455 58.1665 32.2221 176.9761 138 K 4.1309 7.3422 115.8335 56.2891 34.3156 175.5651 139 Y 4.5665 6.8658 114.8634 55.6152 41.8999 176.0009 140 K 4.1328 8.5781 124.7605 58.9572 32.6469 178.8875 141 W 4.4767 7.8509 114.7933 58.7356 28.2852 176.3862 142 D 4.6910 7.1876 117.5386 55.4185 40.9612 176.2891 143 E 3.9628 7.6390 118.4328 56.3333 28.5412 175.0967 144 P 4.7119 0.0000 0.0000 62.5654 32.1940 177.0555 145 F 4.6075 9.2172 125.2350 61.0088 40.0397 174.8046 146 L 4.5483 7.6860 115.8032 53.6695 46.7460 174.8486 147 I 4.6475 8.1830 121.0405 59.9877 40.3032 174.6441 148 I 4.2390 8.6649 129.0774 59.4536 39.7852 174.7097 149 D 5.1741 8.3466 126.7118 52.7240 41.8678 176.5265 150 T 4.2025 8.1809 117.0789 63.4338 68.3995 175.6241 151 T 4.0520 8.0557 112.4529 63.4715 69.5131 174.8368 152 K 4.3778 7.4490 120.3934 54.3427 33.9500 175.3105 153 D 4.6342 8.2177 119.7807 54.6787 41.2870 176.2532 154 I 4.3524 7.7294 120.1695 59.1890 40.6197 176.3150 155 D 4.6083 8.2826 125.3355 52.8576 39.7766 176.2862 156 F 4.2400 8.2956 124.3576 60.0564 39.2938 176.5503 157 N 4.4151 8.3556 115.9839 55.9254 38.3914 176.9860 158 E 3.9357 8.3325 120.3893 59.3685 29.8516 178.7735 159 I 3.8009 7.9481 119.6630 64.4724 37.2140 178.2071 160 A 4.0691 8.3788 121.7001 55.0196 18.2027 179.6151 161 K 3.9296 7.9874 117.8049 59.6149 32.3489 179.1536 162 K 4.1265 8.3136 118.7533 59.5076 31.9583 179.1999 163 L 4.0457 8.2764 119.0834 58.0006 41.4424 179.2746 164 I 3.9511 7.7254 118.2874 65.0112 37.3310 177.8539 165 E 4.1779 8.3756 118.8938 59.4208 29.4204 179.4389 166 K 4.0295 8.3693 119.7860 59.1108 31.9648 179.0473 167 S 4.0890 8.1351 114.2708 61.1338 62.9611 176.2363 168 K 4.2406 7.6715 121.1820 57.7136 32.0839 176.9248 169 E 4.1316 7.4035 117.8932 56.4523 29.9983 175.9452 170 I 4.3190 7.9101 120.7703 58.8729 38.2422 174.1663 171 P 4.3013 0.0000 0.0000 62.4573 31.2341 175.7987 172 K 4.1038 7.8526 124.3846 54.8152 32.8354 178.8101 173 F 3.8255 7.4537 121.8251 58.9697 38.1260 175.6078 *185 N 4.6097 7.1605 117.4607 53.4321 41.3129 175.9683 186 I 3.6708 7.6658 117.2171 64.8413 37.3597 178.5624 187 S 4.1207 8.0877 115.1796 61.4827 62.5263 176.4238 188 D 4.2854 7.8282 120.3289 57.3616 41.2086 178.1949 189 K 3.9434 8.1649 118.9890 59.4030 31.9182 179.4772 190 I 3.6462 7.5954 119.7157 64.2726 37.1719 177.7086 191 D 4.2175 7.5891 117.5652 57.3433 41.0957 178.1227 192 K 3.8511 8.0567 118.7469 59.7558 32.1443 179.0847 193 E 3.9776 8.2660 118.5082 59.7213 29.3900 179.3409 194 T 3.8382 7.9292 109.8089 65.1354 68.4789 176.3773 195 R 3.9336 7.8933 120.2326 58.8741 30.1036 179.2142 196 K 4.0030 7.8628 117.7173 59.5633 32.0436 179.2802 197 I 3.8065 8.2932 120.5026 64.6659 37.1240 178.6127 198 V 3.7240 8.3169 119.0624 66.1860 31.2362 178.0574 199 S 4.1998 8.1275 112.7690 61.0464 62.2297 175.8556 200 E 3.9733 8.3279 122.3157 59.4273 29.2527 178.0374 201 Y 4.0617 8.3191 119.7711 60.9286 38.4962 178.2339 202 I 3.6491 8.1055 120.4459 63.9054 36.9054 178.4872 203 K 4.1381 7.5288 119.3872 58.8287 32.1416 178.6530 204 S 4.4133 7.7472 111.7655 59.1994 63.4671 174.6040 205 K 4.2727 7.2404 118.7616 55.1285 34.5965 176.1125 206 K 3.7463 7.5221 116.8108 57.3237 29.7419 173.1948 207 L 4.1784 7.3050 118.8493 54.5444 43.1678 177.0464 208 D 4.7428 8.1662 118.5868 52.9515 43.2571 176.8090 209 K 3.9062 8.4461 121.0369 59.7825 31.7846 179.0481 210 D 4.3918 7.9890 116.2292 57.1148 41.5684 178.0186 211 K 5.0634 7.8523 119.8694 59.3078 32.1724 179.3030 212 I 3.8204 7.9588 120.1332 64.2286 37.0940 178.2511 213 K 3.8911 7.8633 119.5069 59.5672 31.7434 178.6599 214 E 4.0651 8.1553 118.8060 59.1632 29.5379 179.0854 215 V 3.6063 7.8289 117.8488 66.0566 31.6230 178.1240 216 V 3.6447 8.2255 118.2627 66.1757 31.4765 177.9553 217 E 4.0527 8.2096 117.8703 58.8679 29.2067 179.1313 218 L 3.8885 8.2174 121.4448 57.9754 42.1391 178.9574 219 R 4.1143 8.1271 118.7967 59.1713 30.1438 178.0739 220 K 3.8041 8.1666 119.5248 59.8049 32.1628 178.4631 221 E 3.9576 8.2500 118.4479 59.2850 29.3646 178.9925 222 F 4.3133 8.2758 120.5855 61.5730 39.6053 176.9410 223 L 3.6756 8.4251 118.6908 57.8771 41.1780 179.8487 224 K 3.9352 7.6767 116.9997 59.3086 32.0578 179.1085 225 K 4.0262 7.8367 118.9057 59.2065 31.9369 178.4744 226 I 3.8554 7.1710 119.7718 63.3866 37.0289 177.3935 227 K 4.1372 7.5751 117.4071 57.2769 32.5026 176.5865 228 K 4.2054 7.3427 117.8412 57.1201 31.5334 177.2954 *230 E 4.2040 7.4155 119.3528 55.8322 31.9768 174.4512 231 E 4.3139 7.7801 119.2924 55.8318 30.8882 176.4979 232 V 4.4642 7.9210 121.2459 60.4520 34.9116 173.4796 233 D 4.8449 8.4223 123.0143 52.0635 44.2426 175.4511 234 A 3.9008 8.8439 128.7120 55.8824 18.0191 178.7774 235 D 4.4001 8.1194 114.9928 57.6697 41.2102 179.6247 236 R 3.9920 7.7368 116.5904 59.4670 30.1661 179.3142 237 V 3.7512 8.0102 117.8529 66.1548 31.5332 177.9733 238 L 4.1831 8.2514 118.7197 57.5993 41.2967 179.6081 239 K 3.9621 7.8134 119.5547 59.6078 32.2718 178.7885 240 E 4.0960 8.2093 118.5823 59.2415 29.2179 179.3307 241 F 3.5433 8.4348 120.8007 61.0432 39.5272 177.4313 242 K 3.5790 7.9650 118.1245 59.4597 31.8878 179.1016 243 D 4.2382 8.2993 119.5115 57.2582 40.5294 178.5958 244 L 3.9054 7.2410 120.9670 57.2420 41.9980 178.8250 245 L 3.4819 7.0806 118.5561 57.6173 41.5393 179.0138 246 N 4.6451 7.8780 115.0516 55.0934 38.5528 176.0936 247 S 4.8444 7.8494 115.9508 57.8978 64.4332 173.6640 248 Y 4.3496 7.7751 128.4128 59.2337 38.6397 173.8474 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 -1 H 8.43 4.77 0.00 3.11 3.39 0.00 5.80 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 H 8.74 4.62 0.00 3.10 3.46 0.00 5.47 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 L 9.08 4.71 0.00 1.72 1.52 0.99 1.14 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 I 8.97 4.88 2.06 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.68 1.15 0.00 0.00 4 I 8.75 4.72 2.02 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 1.27 1.07 1.02 0.00 0.00 5 L 8.33 5.23 0.00 1.78 1.75 1.23 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.27 4.94 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 1.46 0.00 0.00 7 G 8.71 4.53 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 8 L 7.51 4.35 0.00 1.66 1.61 0.77 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.37 0.00 2.02 1.99 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.06 0.00 10 G 9.04 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.41 3.61 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 0.79 0.00 0.00 0.84 0.00 0.00 12 G 7.76 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.59 4.07 0.00 1.90 2.20 0.00 1.85 0.00 0.00 2.11 0.00 0.00 3.14 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.63 1.61 7.81 14 S 8.02 4.39 0.00 3.92 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 15 T 8.00 3.89 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 1.30 0.00 0.00 16 F 8.65 4.38 0.00 3.38 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.55 4.04 0.00 4.10 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 18 K 8.02 3.87 0.00 1.87 1.78 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.73 7.81 19 N 7.75 3.80 0.00 1.79 1.42 0.00 0.00 6.66 6.77 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 20 L 7.52 3.74 0.00 1.22 1.37 0.96 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 21 A 8.17 3.92 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 22 K 7.83 3.79 0.00 1.79 1.75 0.00 1.51 0.00 0.00 1.54 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.62 7.81 23 I 7.52 3.56 1.81 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 1.55 1.20 0.97 0.00 0.00 24 L 7.79 3.79 0.00 1.66 1.37 0.89 0.04 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 25 S 7.76 4.07 0.00 3.89 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 7.73 4.17 0.00 1.86 1.83 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.57 7.81 27 N 7.42 4.67 0.00 2.64 2.70 0.00 0.00 6.92 7.78 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 28 N 8.40 4.11 0.00 2.73 2.82 0.00 0.00 6.85 7.90 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 29 I 7.27 4.40 1.70 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 0.97 0.76 -0.11 0.00 0.00 30 D 8.82 4.70 0.00 2.89 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 31 V 8.24 5.18 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 0.66 0.00 0.00 1.06 0.00 0.00 32 I 8.74 4.62 1.79 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 1.12 1.40 0.99 0.00 0.00 33 V 8.42 4.88 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 0.91 0.00 0.00 0.93 0.00 0.00 34 L 8.84 4.95 0.00 1.66 1.54 0.97 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.80 4.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 9.94 4.76 0.00 4.05 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 0.00 37 D 8.34 4.46 0.00 2.76 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 38 L 7.68 3.98 0.00 1.82 1.80 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 39 I 7.70 3.96 1.91 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.73 1.05 0.00 0.00 40 R 8.07 4.23 0.00 2.06 2.12 0.00 3.22 0.00 0.00 3.44 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.01 0.00 41 E 8.57 4.57 0.00 2.14 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 2.44 2.47 0.00 42 S 8.59 4.43 0.00 3.84 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 43 F 7.72 4.73 0.00 3.33 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 44 P 0.00 4.47 0.00 2.26 2.26 0.00 4.00 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.10 0.00 45 V 7.71 4.67 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 0.81 0.00 0.00 1.05 0.00 0.00 46 W 8.56 4.70 0.00 3.29 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 6.03 3.47 0.00 0.79 0.74 0.00 1.09 0.00 0.00 1.33 0.00 0.00 2.70 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.92 0.76 7.81 48 E 7.82 3.43 0.00 1.90 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 2.37 2.38 0.00 49 K 7.34 3.98 0.00 1.89 1.79 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.01 1.44 7.81 50 Y 7.44 4.29 0.00 2.52 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 0.00 0.00 0.00 51 E 7.73 4.00 0.00 2.11 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 2.44 2.74 0.00 52 E 8.30 3.88 0.00 2.06 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 2.41 0.00 53 F 8.30 4.23 0.00 3.16 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 54 I 8.25 3.60 2.10 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.89 0.99 0.00 0.00 55 K 8.43 3.58 0.00 1.72 1.73 0.00 1.54 0.00 0.00 1.42 0.00 0.00 2.70 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.58 1.00 7.81 56 K 7.92 3.78 0.00 1.81 1.83 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.49 7.81 57 S 8.14 3.93 0.00 3.32 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 T 7.69 3.88 4.39 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 0.00 0.00 0.00 1.35 0.00 0.00 59 Y 8.06 4.38 0.00 3.12 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 60 R 8.14 3.93 0.00 2.06 2.13 0.00 3.18 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 61 L 7.76 3.97 0.00 1.99 1.73 0.92 0.90 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 62 I 7.90 3.68 2.01 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 1.45 0.73 0.88 0.00 0.00 63 D 8.35 4.32 0.00 2.73 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 64 S 8.79 4.21 0.00 4.04 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 65 A 8.61 4.18 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 66 L 7.92 4.32 0.00 1.60 1.33 0.86 0.62 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 67 K 7.14 3.82 0.00 1.69 1.66 0.00 1.65 0.00 0.00 1.73 0.00 0.00 3.11 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.11 1.26 7.81 68 N 7.56 4.54 0.00 1.44 1.65 0.00 0.00 6.67 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 69 Y 7.81 5.19 0.00 2.90 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 70 W 9.62 4.36 0.00 3.43 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 71 V 8.35 4.93 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 1.06 0.00 0.00 72 I 8.66 4.84 1.96 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 1.29 0.62 1.06 0.00 0.00 73 V 9.17 4.03 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 0.99 0.00 0.00 0.98 0.00 0.00 74 D 9.20 5.07 0.00 2.94 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 8.12 4.91 0.00 2.66 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 T 8.78 4.36 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 1.36 0.00 0.00 77 N 8.30 4.66 0.00 3.00 2.93 0.00 0.00 6.82 7.48 0.00 0.00 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 Y 8.06 3.74 0.00 3.21 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 79 Y 7.16 5.11 0.00 2.70 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 80 N 8.97 4.62 0.00 3.04 3.02 0.00 0.00 6.80 6.98 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 81 S 7.99 4.59 0.00 4.09 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 0.00 *83 R 8.15 4.30 0.00 2.31 2.21 0.00 3.22 0.00 0.00 3.30 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.95 0.00 84 R 8.58 3.29 0.00 1.50 2.01 0.00 2.87 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.79 0.00 85 D 7.75 4.30 0.00 2.75 2.72 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 86 L 7.53 3.84 0.00 1.74 1.58 1.01 0.58 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 87 I 7.38 3.30 1.52 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.64 0.31 0.00 0.00 88 N 8.20 4.09 0.00 2.71 2.73 0.00 0.00 7.07 6.76 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 89 I 7.41 3.62 1.93 0.00 0.00 0.57 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 0.88 0.98 0.00 0.00 90 A 7.83 4.04 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 91 K 8.48 2.56 0.00 1.77 1.72 0.00 1.64 0.00 0.00 1.44 0.00 0.00 2.80 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.15 1.18 7.81 92 K 7.69 3.59 0.00 1.56 1.89 0.00 1.57 0.00 0.00 1.51 0.00 0.00 2.13 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.30 0.98 7.81 93 Y 7.34 4.26 0.00 2.92 2.89 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 94 N 7.28 3.54 0.00 2.58 2.69 0.00 0.00 6.89 6.13 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 103 K 8.32 4.33 0.00 1.20 1.33 0.00 1.33 0.00 0.00 1.49 0.00 0.00 2.85 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.05 0.42 7.81 104 A 7.87 4.48 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 0.00 105 S 8.39 4.27 0.00 3.99 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.51 3.80 0.00 0.83 1.39 0.72 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 107 D 8.02 4.26 0.00 2.77 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.68 3.61 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.92 0.00 0.00 109 L 7.78 3.96 0.00 1.90 1.72 1.07 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 110 I 7.93 3.68 1.84 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 1.49 0.74 0.96 0.00 0.00 111 R 7.98 3.89 0.00 2.06 1.97 0.00 3.11 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 1.64 1.90 0.00 112 R 8.19 3.99 0.00 1.99 1.98 0.00 3.24 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 1.65 1.95 0.00 113 N 8.48 4.40 0.00 2.89 2.95 0.00 0.00 7.13 8.80 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 0.00 114 I 7.77 3.72 2.03 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 1.71 1.01 0.91 0.00 0.00 115 E 7.95 4.14 0.00 2.16 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 2.35 2.48 0.00 116 R 7.29 4.48 0.00 2.02 1.95 0.00 3.31 0.00 0.00 3.24 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.76 0.00 117 G 7.82 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 0.00 0.00 0.00 118 E 7.94 3.97 0.00 2.11 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 2.20 2.25 0.00 119 K 8.45 3.89 0.00 1.76 1.86 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.64 7.81 120 I 7.45 4.16 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.47 0.83 0.00 0.00 121 P 0.00 4.22 0.00 2.31 2.19 0.00 3.65 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.97 0.00 122 N 9.13 4.20 0.00 2.74 2.92 0.00 0.00 6.87 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 0.00 123 E 8.28 3.93 0.00 2.19 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 2.36 2.38 0.00 124 V 7.65 3.52 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 0.79 0.00 0.00 0.89 0.00 0.00 125 I 7.79 3.87 2.03 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 1.63 0.91 0.94 0.00 0.00 126 K 8.19 4.18 0.00 2.01 1.86 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.66 7.81 127 K 7.90 4.32 0.00 2.05 1.90 0.00 1.58 0.00 0.00 1.85 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.55 7.81 *129 Y 7.92 4.51 0.00 3.25 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 0.00 130 E 8.31 4.44 0.00 2.32 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 2.47 2.68 0.00 131 K 7.91 4.63 0.00 1.86 1.88 0.00 1.84 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.65 7.81 132 F 8.00 4.39 0.00 3.11 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 0.00 133 D 8.23 4.17 0.00 2.42 2.38 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 0.00 134 E 8.77 4.01 0.00 2.06 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 135 P 0.00 4.39 0.00 2.11 1.92 0.00 3.23 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.02 0.00 136 G 9.16 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 0.00 0.00 0.00 137 K 7.55 3.84 0.00 1.66 1.86 0.00 1.84 0.00 0.00 1.55 0.00 0.00 2.70 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.29 7.81 138 K 7.34 4.13 0.00 1.33 1.19 0.00 1.51 0.00 0.00 1.41 0.00 0.00 2.77 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.30 0.81 7.81 139 Y 6.87 4.57 0.00 1.43 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 K 8.58 4.13 0.00 1.78 1.85 0.00 1.73 0.00 0.00 1.90 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.67 7.81 141 W 7.85 4.48 0.00 3.57 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 0.00 142 D 7.19 4.69 0.00 1.68 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 0.00 143 E 7.64 3.96 0.00 2.27 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 2.35 2.24 0.00 144 P 0.00 4.71 0.00 2.60 2.32 0.00 3.73 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.07 0.00 145 F 9.22 4.61 0.00 3.01 3.39 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 0.00 0.00 0.00 0.00 146 L 7.69 4.55 0.00 1.73 1.48 1.12 0.30 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 0.00 147 I 8.18 4.65 1.85 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.66 0.76 0.00 0.00 148 I 8.66 4.24 1.53 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.54 0.72 0.00 0.00 149 D 8.35 5.17 0.00 2.68 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 0.00 150 T 8.18 4.20 4.23 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 1.22 0.00 0.00 151 T 8.06 4.05 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 0.00 152 K 7.45 4.38 0.00 1.73 1.77 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.71 7.81 153 D 8.22 4.63 0.00 2.64 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 I 7.73 4.35 1.47 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.48 0.20 0.00 0.00 155 D 8.28 4.61 0.00 2.68 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 0.00 156 F 8.30 4.24 0.00 3.22 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 0.00 157 N 8.36 4.42 0.00 2.94 2.90 0.00 0.00 6.81 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 0.00 158 E 8.33 3.94 0.00 2.40 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 2.30 2.41 0.00 159 I 7.95 3.80 2.03 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 1.52 0.87 1.18 0.00 0.00 160 A 8.38 4.07 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 K 7.99 3.93 0.00 2.01 2.05 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.52 7.81 162 K 8.31 4.13 0.00 2.25 2.17 0.00 1.69 0.00 0.00 1.54 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.53 1.79 7.81 163 L 8.28 4.05 0.00 2.08 2.13 1.19 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 164 I 7.73 3.95 2.09 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 1.41 0.78 0.98 0.00 0.00 165 E 8.38 4.18 0.00 2.27 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.53 0.00 166 K 8.37 4.03 0.00 1.77 1.71 0.00 1.34 0.00 0.00 0.64 0.00 0.00 2.74 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.17 1.47 7.81 167 S 8.14 4.09 0.00 4.13 4.26 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 0.00 168 K 7.67 4.24 0.00 1.93 1.96 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.55 1.72 7.81 169 E 7.40 4.13 0.00 2.04 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 2.44 0.00 170 I 7.91 4.32 1.86 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 1.47 0.55 0.92 0.00 0.00 171 P 0.00 4.30 0.00 2.68 2.35 0.00 3.75 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 172 K 7.85 4.10 0.00 1.66 1.76 0.00 1.83 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.40 7.81 173 F 7.45 3.83 0.00 3.18 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *185 N 7.16 4.61 0.00 2.81 2.68 0.00 0.00 7.24 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 0.00 186 I 7.67 3.67 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 1.62 1.13 0.89 0.00 0.00 187 S 8.09 4.12 0.00 3.82 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 0.00 188 D 7.83 4.29 0.00 2.77 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 0.00 189 K 8.16 3.94 0.00 1.95 1.84 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.77 7.81 190 I 7.60 3.65 1.95 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 1.36 0.77 0.77 0.00 0.00 191 D 7.59 4.22 0.00 2.77 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 K 8.06 3.85 0.00 1.98 1.86 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.49 7.81 193 E 8.27 3.98 0.00 1.99 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 2.64 2.48 0.00 194 T 7.93 3.84 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 0.00 195 R 7.89 3.93 0.00 2.18 2.04 0.00 3.17 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 196 K 7.86 4.00 0.00 2.01 1.91 0.00 1.86 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.51 7.81 197 I 8.29 3.81 2.49 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.01 0.93 0.00 0.00 198 V 8.32 3.72 2.38 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 1.11 0.00 0.00 1.27 0.00 0.00 199 S 8.13 4.20 0.00 4.02 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 0.00 200 E 8.33 3.97 0.00 2.15 2.19 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 2.36 2.35 0.00 201 Y 8.32 4.06 0.00 3.19 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 0.00 202 I 8.11 3.65 2.05 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 1.62 1.37 0.94 0.00 0.00 203 K 7.53 4.14 0.00 1.87 1.85 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.74 7.81 204 S 7.75 4.41 0.00 3.97 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 0.00 205 K 7.24 4.27 0.00 1.47 1.61 0.00 0.85 0.00 0.00 1.43 0.00 0.00 2.80 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.11 0.91 7.81 206 K 7.52 3.75 0.00 1.82 1.80 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.82 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.38 1.36 7.81 207 L 7.30 4.18 0.00 1.65 1.65 0.99 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 208 D 8.17 4.74 0.00 2.70 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 K 8.45 3.91 0.00 1.85 1.87 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.52 7.81 210 D 7.99 4.39 0.00 2.68 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 0.00 211 K 7.85 5.06 0.00 2.06 1.86 0.00 2.08 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.39 7.81 212 I 7.96 3.82 1.91 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 1.47 0.90 0.97 0.00 0.00 213 K 7.86 3.89 0.00 1.99 2.07 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.53 7.81 214 E 8.16 4.07 0.00 2.48 2.19 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 2.43 2.73 0.00 215 V 7.83 3.61 2.35 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 1.15 0.00 0.00 1.25 0.00 0.00 216 V 8.23 3.64 2.26 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 1.01 0.00 0.00 1.05 0.00 0.00 217 E 8.21 4.05 0.00 2.21 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 2.70 2.48 0.00 218 L 8.22 3.89 0.00 1.75 1.79 0.46 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 219 R 8.13 4.11 0.00 2.15 2.14 0.00 3.03 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.24 0.00 220 K 8.17 3.80 0.00 2.02 2.01 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.50 7.81 221 E 8.25 3.96 0.00 2.08 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 2.64 2.46 0.00 222 F 8.28 4.31 0.00 3.22 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 0.00 223 L 8.43 3.68 0.00 1.75 1.60 0.83 0.47 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 0.00 224 K 7.68 3.94 0.00 1.90 1.84 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.66 7.81 225 K 7.84 4.03 0.00 1.76 1.97 0.00 1.86 0.00 0.00 1.82 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.47 7.81 226 I 7.17 3.86 1.54 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.24 0.72 0.00 0.00 227 K 7.58 4.14 0.00 1.70 1.75 0.00 1.74 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.42 7.81 228 K 7.34 4.21 0.00 1.91 1.76 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.53 7.81 *230 E 7.42 4.20 0.00 1.91 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 0.00 2.18 2.39 0.00 231 E 7.78 4.31 0.00 1.99 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 2.29 2.28 0.00 232 V 7.92 4.46 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 0.70 0.00 0.00 0.88 0.00 0.00 233 D 8.42 4.84 0.00 2.77 2.46 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 0.00 234 A 8.84 3.90 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 0.00 235 D 8.12 4.40 0.00 2.87 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 0.00 236 R 7.74 3.99 0.00 2.07 2.01 0.00 3.14 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.92 0.00 237 V 8.01 3.75 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.00 0.00 0.00 238 L 8.25 4.18 0.00 1.96 1.81 0.96 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 239 K 7.81 3.96 0.00 1.99 1.98 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.63 1.49 7.81 240 E 8.21 4.10 0.00 2.50 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 2.40 2.65 0.00 241 F 8.43 3.54 0.00 3.23 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 0.00 242 K 7.96 3.58 0.00 1.96 1.77 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.79 7.81 243 D 8.30 4.24 0.00 2.72 2.64 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 0.00 0.00 0.00 244 L 7.24 3.91 0.00 1.42 1.35 0.77 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 245 L 7.08 3.48 0.00 1.16 0.66 0.42 0.35 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 0.00 246 N 7.88 4.65 0.00 2.77 2.90 0.00 0.00 7.04 7.18 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 0.00 247 S 7.85 4.84 0.00 4.08 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 0.00 248 Y 7.78 4.35 0.00 2.84 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 * Residues marked with a * may have inaccurate shift predictions.