NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.7162 8.4293 116.1974 55.1509 30.3319 173.3126 2 C 4.0486 7.6280 114.1721 57.0520 30.2712 172.2897 3 D 4.5973 8.3557 118.7426 54.9371 40.1155 175.3699 4 L 4.0482 8.0367 120.7590 57.0310 42.1815 175.6957 5 P 4.5842 0.0000 0.0000 62.1713 32.4629 175.1025 6 C 4.3808 8.4779 112.2841 57.6780 30.8267 175.1077 7 G 3.9468 8.3153 107.8331 45.1088 0.0000 172.9822 8 V 4.2050 7.0985 119.3429 61.3335 32.2103 174.3188 9 Y 4.6787 7.9448 123.6614 56.5847 42.0913 174.4955 10 D 3.5327 7.9007 116.2309 51.7219 43.7054 174.8995 11 P 4.0718 0.0000 0.0000 64.8238 31.1635 178.1015 12 A 3.9663 8.8538 120.4005 55.0211 18.1906 179.5968 13 Q 3.7730 8.0549 116.6542 58.9109 28.6300 178.9037 14 A 4.0967 7.7254 121.2266 55.0919 18.5309 179.2701 15 R 3.8273 8.1246 117.5004 59.8989 30.0003 178.6408 16 I 3.6987 8.0193 119.6601 64.5402 37.1402 178.3510 17 E 3.9946 7.9364 117.7781 59.3106 29.3362 179.2230 18 A 4.0831 8.3149 120.9174 54.9678 18.3209 179.5781 19 E 3.9461 8.4591 117.8410 59.7469 29.4445 179.6772 20 S 4.1350 7.9337 115.2459 61.3464 62.8274 176.8567 21 V 3.5643 7.6254 120.8555 65.9948 31.2966 178.1049 22 K 4.1423 8.1348 119.1364 59.3982 32.0380 178.6521 23 A 4.0378 8.2501 121.2672 55.1679 18.2462 179.7217 24 I 3.7285 8.1619 118.7369 64.6831 37.0639 178.6699 25 Q 4.0328 8.1618 118.9046 58.9767 28.5614 178.8547 26 E 4.0218 8.2851 119.7273 59.3761 29.6535 179.5067 27 K 4.1094 8.2486 118.5626 59.7478 32.1502 179.3526 28 M 4.4436 8.4393 118.9116 58.2352 31.6072 178.5114 29 A 4.1102 7.8432 119.4752 54.0773 18.6674 178.4505 30 A 4.6433 7.6289 116.8554 51.3783 19.6408 176.5497 31 N 4.6441 7.5330 115.2132 52.0909 40.9364 173.2241 32 D 4.7922 8.6814 124.6501 53.1715 40.1089 176.5436 33 D 4.4095 8.7138 121.0425 54.5495 42.4357 176.1590 34 L 3.9396 8.7514 128.5608 59.0943 42.0971 179.0505 35 H 4.1572 8.2809 115.2254 58.6010 28.6130 177.5515 36 F 4.1831 8.2538 121.9499 61.4355 39.2804 177.2273 37 Q 3.9469 8.4876 117.9353 58.8799 28.4565 179.1235 38 I 3.6172 7.7573 120.7756 64.4646 37.1338 178.6788 39 R 3.8446 7.8591 118.6442 59.1702 29.8133 179.0205 40 A 3.7229 7.9085 120.9148 55.2997 18.2442 179.8860 41 T 3.7303 7.7182 114.2561 66.6781 68.3933 177.1638 42 V 3.5483 7.7482 120.1278 66.1411 31.5790 178.2205 43 I 3.7497 8.0031 119.8792 64.0674 36.8303 178.3412 44 K 3.9409 8.2524 120.8318 59.2551 31.9799 178.4493 45 E 3.8924 8.1413 119.7041 59.4545 29.5628 178.9169 46 Q 3.9819 7.8418 117.8797 59.0468 28.7322 179.0338 47 R 3.9216 8.1655 118.8929 59.1552 30.1373 178.9397 48 A 3.9930 8.2917 120.9100 55.0782 18.3224 179.3282 49 E 3.8973 8.2050 117.9166 59.4351 29.7001 179.1008 50 L 3.9641 8.0042 118.9036 57.6260 41.7057 179.3372 51 A 4.0817 8.2602 120.9687 55.0604 18.2414 179.8916 52 K 3.9541 8.1860 117.1517 59.6932 32.1043 179.0589 53 H 4.1550 8.3775 118.6112 59.6816 29.9267 177.0672 54 H 4.2064 8.2587 118.0000 58.8202 28.4862 177.8810 55 L 4.0831 7.9678 120.7102 57.8659 41.3960 179.1339 56 D 4.5295 8.5406 119.3341 57.5251 40.7859 179.1332 57 V 3.7257 8.0281 118.6783 65.9714 31.4543 178.1040 58 L 3.9808 7.9917 118.4318 57.4585 41.2338 179.3251 59 W 4.6320 8.4808 127.5864 60.6534 30.8239 177.7967 60 S 4.0850 8.6880 113.2093 60.6530 62.9311 175.2586 61 D 4.6608 8.4121 121.0531 55.8246 41.5943 177.4139 62 Y 3.3996 7.4612 118.5657 59.8834 39.1090 175.5222 63 F 4.0198 7.9457 118.2374 57.3036 39.5797 175.0764 64 K 4.6166 8.2926 123.4613 53.4995 35.4281 175.1558 65 P 4.4836 0.0000 0.0000 65.8871 31.0070 177.0277 66 P 4.2424 0.0000 0.0000 65.8665 31.1372 178.3253 67 H 4.2863 7.9505 114.9042 59.0328 28.7802 177.9427 68 F 4.3096 7.7494 118.5898 60.0208 38.4788 177.4016 69 E 4.2043 7.8031 117.5528 59.3210 29.5814 178.8350 70 S 4.2949 8.2769 114.3717 59.9933 63.9422 173.9849 71 Y 4.6001 8.1185 119.7652 54.8011 38.0255 174.1407 72 P 4.5916 0.0000 0.0000 63.9624 31.9352 177.1850 73 E 4.4945 8.0961 116.2516 56.3244 30.6278 177.3894 74 L 3.9040 8.1787 121.7393 58.5541 42.0120 178.3081 75 H 4.4082 8.4080 115.3837 59.6111 28.6419 177.6930 76 T 3.8439 7.9509 116.7099 66.3307 68.2210 176.3091 77 L 3.8158 8.1463 122.4328 58.2463 42.1598 179.2896 78 V 3.5017 7.9114 118.2291 65.9129 31.4385 177.4510 79 N 4.0225 8.0221 116.8072 56.6504 38.6932 176.7760 80 E 3.7333 8.2424 120.0994 58.9088 29.4255 179.1272 81 A 3.7924 7.5509 121.0012 55.3135 18.5012 180.1978 82 V 3.5750 7.7582 110.9188 64.4119 31.5669 179.0593 83 K 3.9730 8.0393 118.1894 59.2363 31.8484 179.2822 84 A 4.0981 8.2988 121.6451 55.0585 18.2609 179.7198 85 L 4.0113 7.8665 117.6644 58.0162 41.4524 179.8271 86 S 4.1390 7.8956 114.2149 61.4045 62.8589 176.2923 87 A 4.1174 8.1204 123.4285 55.0591 18.2106 179.5268 88 A 4.1166 8.0093 120.6339 54.6273 18.1591 179.9784 89 K 3.9580 7.8601 116.2299 59.0373 32.1282 178.2694 90 A 4.6280 7.3413 118.8701 50.9735 20.0171 176.5901 91 S 4.5953 7.4098 113.2396 58.6941 65.6098 173.9485 92 T 4.3352 8.3335 114.1038 61.2948 69.5064 173.8411 93 D 4.5204 8.2306 124.0696 53.2172 41.1108 174.8098 94 P 4.5257 0.0000 0.0000 64.8222 31.1370 178.2814 95 A 3.9973 8.6913 120.4195 55.2592 18.0970 179.7335 96 T 3.9427 8.3769 108.8700 64.8275 68.8489 177.1581 97 G 3.5914 8.1225 108.1539 47.6140 0.0000 175.3341 98 Q 3.9948 8.3515 122.3389 58.6257 29.1505 178.1381 99 K 3.7734 8.3202 120.6942 59.3458 32.2153 178.6318 100 A 4.1645 7.9523 120.6199 55.3184 18.3433 179.5016 101 L 3.9854 7.9971 117.4681 58.0547 41.6439 179.6212 102 D 4.3052 8.1814 118.8897 57.6768 40.7810 178.4608 103 Y 4.3139 7.7601 116.8783 61.1572 37.7342 178.6906 104 I 3.8081 8.1780 120.6845 64.1916 37.1829 178.2664 105 A 4.0460 8.2519 121.7327 55.4062 18.0987 179.7186 106 Q 4.0384 8.1553 116.4733 59.2520 28.7021 179.1746 107 I 3.8605 7.9399 120.9378 64.2143 37.1516 177.9452 108 D 4.4215 8.4909 119.5031 56.9901 41.0877 178.2164 109 K 4.1001 8.1926 120.2071 59.7904 32.4253 178.8495 110 I 3.5494 7.5760 120.0205 64.1181 36.4255 178.0805 111 F 4.0303 8.6551 121.8725 61.3424 39.1120 177.3647 112 W 4.2286 8.3563 117.8322 59.2459 28.6593 178.4874 113 E 4.1502 8.2030 119.4115 59.3976 28.7191 178.9325 114 T 4.1204 7.6611 108.0380 63.7344 69.1125 176.3493 115 K 4.1109 7.2039 119.6580 58.3485 32.3051 179.0648 116 K 4.1658 7.7659 118.0024 59.3163 32.2700 176.8557 117 A 4.1902 7.5662 125.0037 52.4545 18.2772 177.0215 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 4.72 0.00 3.28 3.33 0.00 5.48 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 C 7.63 4.05 0.00 3.09 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 3 D 8.36 4.60 0.00 2.88 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.04 4.05 0.00 1.59 1.74 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.58 0.00 2.31 2.12 0.00 3.80 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 2.00 1.99 0.00 6 C 8.48 4.38 0.00 2.99 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 7 G 8.32 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 8 V 7.10 4.20 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 0.85 0.00 0.00 0.91 0.00 0.00 9 Y 7.94 4.68 0.00 2.76 2.41 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 10 D 7.90 3.53 0.00 2.54 2.34 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 11 P 0.00 4.07 0.00 2.29 1.92 0.00 2.97 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 1.43 1.22 0.00 12 A 8.85 3.97 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 13 Q 8.05 3.77 0.00 1.82 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.20 2.18 0.00 14 A 7.73 4.10 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.12 3.83 0.00 1.88 1.95 0.00 3.12 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.70 0.00 16 I 8.02 3.70 1.86 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 1.52 1.31 0.91 0.00 0.00 17 E 7.94 3.99 0.00 2.22 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 2.56 2.56 0.00 18 A 8.31 4.08 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 19 E 8.46 3.95 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 2.49 0.00 20 S 7.93 4.13 0.00 3.99 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 21 V 7.63 3.56 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 1.00 0.00 0.00 0.96 0.00 0.00 22 K 8.13 4.14 0.00 1.89 1.79 0.00 1.69 0.00 0.00 1.66 0.00 0.00 3.21 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.62 7.81 23 A 8.25 4.04 1.39 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 0.00 0.00 24 I 8.16 3.73 2.02 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 1.53 0.83 0.90 0.00 0.00 25 Q 8.16 4.03 0.00 2.28 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.68 0.00 26 E 8.29 4.02 0.00 2.23 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 2.49 0.00 27 K 8.25 4.11 0.00 2.21 2.19 0.00 1.82 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.77 7.81 28 M 8.44 4.44 0.00 2.12 2.33 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.49 0.00 29 A 7.84 4.11 1.39 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 0.00 0.00 30 A 7.63 4.64 1.28 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 0.00 0.00 31 N 7.53 4.64 0.00 2.41 2.17 0.00 0.00 7.11 8.35 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 32 D 8.68 4.79 0.00 2.85 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 8.71 4.41 0.00 2.86 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 34 L 8.75 3.94 0.00 1.80 1.68 0.89 1.03 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 35 H 8.28 4.16 0.00 3.49 3.40 0.00 5.87 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 36 F 8.25 4.18 0.00 3.19 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 37 Q 8.49 3.95 0.00 2.31 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.67 2.61 0.00 38 I 7.76 3.62 1.97 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 1.47 1.12 0.87 0.00 0.00 39 R 7.86 3.84 0.00 1.71 1.90 0.00 3.16 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.86 0.00 40 A 7.91 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 7.72 3.73 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 1.17 0.00 0.00 42 V 7.75 3.55 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 1.00 0.00 0.00 0.94 0.00 0.00 43 I 8.00 3.75 1.85 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 1.38 0.88 0.89 0.00 0.00 44 K 8.25 3.94 0.00 1.83 1.97 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.43 7.81 45 E 8.14 3.89 0.00 2.29 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 2.29 2.38 0.00 46 Q 7.84 3.98 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.69 0.00 47 R 8.17 3.92 0.00 1.83 2.09 0.00 3.31 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.79 0.00 48 A 8.29 3.99 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 49 E 8.20 3.90 0.00 2.21 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 2.29 2.38 0.00 50 L 8.00 3.96 0.00 1.91 1.71 0.93 0.69 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 51 A 8.26 4.08 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 52 K 8.19 3.95 0.00 2.00 1.85 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.66 7.81 53 H 8.38 4.16 0.00 3.22 3.42 0.00 5.78 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 54 H 8.26 4.21 0.00 3.36 3.29 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.97 4.08 0.00 1.90 1.75 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.54 4.53 0.00 2.88 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 8.03 3.73 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 1.08 0.00 0.00 0.87 0.00 0.00 58 L 7.99 3.98 0.00 2.08 1.71 0.75 0.13 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 59 W 8.48 4.63 0.00 3.43 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 60 S 8.69 4.08 0.00 4.08 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 D 8.41 4.66 0.00 2.97 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 7.46 3.40 0.00 1.43 2.49 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 63 F 7.95 4.02 0.00 2.94 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 0.00 0.00 0.00 64 K 8.29 4.62 0.00 1.48 1.55 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.77 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.15 7.81 65 P 0.00 4.48 0.00 2.15 2.18 0.00 3.57 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 2.13 2.28 0.00 66 P 0.00 4.24 0.00 1.94 2.01 0.00 3.44 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.11 0.00 67 H 7.95 4.29 0.00 2.95 3.17 0.00 5.64 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 68 F 7.75 4.31 0.00 3.22 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 E 7.80 4.20 0.00 2.17 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 2.68 2.50 0.00 70 S 8.28 4.29 0.00 3.79 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 71 Y 8.12 4.60 0.00 2.93 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 72 P 0.00 4.59 0.00 2.08 2.16 0.00 3.75 0.00 0.00 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.25 0.00 73 E 8.10 4.49 0.00 2.07 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 2.38 2.27 0.00 74 L 8.18 3.90 0.00 1.77 1.84 0.54 -0.62 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 75 H 8.41 4.41 0.00 3.26 3.35 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 T 7.95 3.84 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 1.19 0.00 0.00 77 L 8.15 3.82 0.00 1.77 1.84 1.10 1.07 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 78 V 7.91 3.50 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 0.89 0.00 0.00 1.16 0.00 0.00 79 N 8.02 4.02 0.00 2.68 2.74 0.00 0.00 7.24 6.93 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 80 E 8.24 3.73 0.00 1.37 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.39 0.00 81 A 7.55 3.79 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 82 V 7.76 3.58 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 0.82 0.00 0.00 0.83 0.00 0.00 83 K 8.04 3.97 0.00 1.92 1.80 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.47 7.81 84 A 8.30 4.10 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.87 4.01 0.00 1.92 1.73 0.95 0.96 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 86 S 7.90 4.14 0.00 4.02 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 87 A 8.12 4.12 1.39 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 0.00 0.00 88 A 8.01 4.12 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 89 K 7.86 3.96 0.00 1.98 2.01 0.00 1.68 0.00 0.00 1.93 0.00 0.00 3.23 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.62 7.81 90 A 7.34 4.63 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 91 S 7.41 4.60 0.00 3.80 3.76 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 92 T 8.33 4.34 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 1.21 0.00 0.00 93 D 8.23 4.52 0.00 2.71 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 94 P 0.00 4.53 0.00 2.20 2.12 0.00 3.94 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.95 0.00 95 A 8.69 4.00 1.39 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 0.00 0.00 96 T 8.38 3.94 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 1.22 0.00 0.00 97 G 8.12 3.59 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 0.00 0.00 0.00 98 Q 8.35 3.99 0.00 2.16 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 99 K 8.32 3.77 0.00 1.93 1.99 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.18 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.31 7.81 100 A 7.95 4.16 1.45 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 0.00 0.00 101 L 8.00 3.99 0.00 1.94 1.75 0.98 1.02 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 0.00 102 D 8.18 4.31 0.00 2.64 2.51 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 0.00 103 Y 7.76 4.31 0.00 3.22 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 0.00 104 I 8.18 3.81 2.07 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 1.51 0.95 0.94 0.00 0.00 105 A 8.25 4.05 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 0.00 106 Q 8.16 4.04 0.00 2.45 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.76 0.00 0.00 0.00 0.00 0.00 2.43 2.58 0.00 107 I 7.94 3.86 2.08 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.94 1.08 0.00 0.00 108 D 8.49 4.42 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 0.00 109 K 8.19 4.10 0.00 1.98 2.04 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.20 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.66 1.58 7.81 110 I 7.58 3.55 1.86 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 1.13 1.03 -0.09 0.00 0.00 111 F 8.66 4.03 0.00 3.01 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 W 8.36 4.23 0.00 3.56 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 0.00 113 E 8.20 4.15 0.00 2.33 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.56 0.00 114 T 7.66 4.12 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 115 K 7.20 4.11 0.00 2.03 1.93 0.00 1.43 0.00 0.00 0.66 0.00 0.00 2.69 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.58 0.27 7.81 116 K 7.77 4.17 0.00 1.76 1.91 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.87 7.81 117 A 7.57 4.19 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00