NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1290 8.3044 120.3142 55.1229 33.1776 174.9761 2 E 4.3356 7.5594 118.8910 54.1989 31.5756 173.0184 3 Y 4.4200 9.2400 124.9765 56.8358 40.8833 174.1982 4 K 4.7852 8.0926 120.1280 54.5260 37.0115 175.3065 5 S 5.6586 8.6469 115.0183 56.2015 65.7314 174.3135 6 T 4.4580 8.7043 114.9350 59.7884 70.9348 175.2854 7 R 3.9373 8.4975 120.1261 59.4534 29.8242 178.6979 8 H 5.0599 7.5729 110.5517 54.6587 29.3505 172.7932 9 A 4.7348 8.0999 120.5355 51.5478 22.3374 175.7417 10 K 5.0900 8.5598 121.5064 54.6495 34.7308 174.8792 11 Y 5.0622 8.6437 123.1110 55.8566 42.0996 173.9413 12 L 4.4109 8.4678 122.0875 54.3762 44.9433 175.3120 13 C 4.5474 8.8465 124.1376 57.7779 30.1043 171.0032 14 N 5.2304 7.9601 119.6732 51.7697 40.5067 173.2626 15 Y 5.1609 9.2401 121.3510 56.5050 41.9332 174.2357 16 H 5.1813 9.7924 122.2983 55.0631 30.5628 174.2021 17 F 5.6461 9.7873 122.5814 55.7975 41.6977 174.6485 18 V 5.3775 9.9300 123.2446 60.0560 35.1678 174.0620 19 W 5.3802 8.0291 122.2768 55.6278 31.6983 173.0256 20 I 4.9271 8.5773 114.0023 58.6133 39.0097 172.9575 21 P 5.3999 0.0000 0.0000 61.6988 32.6365 177.2136 22 K 3.9795 8.1379 117.5452 58.4001 32.1486 177.0584 23 Y 4.9695 7.0609 113.7774 56.3965 40.7008 175.3095 24 R 4.8178 8.3802 120.6636 56.2011 32.3461 176.2316 25 R 3.9116 8.7779 116.4583 56.9998 28.6687 177.3115 26 K 4.5328 8.8457 118.5910 56.6472 33.1979 177.6733 27 V 3.4062 7.2287 111.7797 64.7148 31.5220 177.8729 28 L 3.9409 7.2435 119.9889 57.6793 42.4991 177.3032 29 T 4.1674 7.9636 117.0584 63.1452 69.3694 175.3849 30 G 3.7378 8.4406 112.2855 45.0697 0.0000 172.2713 31 E 4.0362 8.4525 119.2669 59.1599 29.5146 180.1625 32 V 3.4717 7.5729 117.7600 65.9133 31.5896 177.3532 33 A 4.0687 7.9833 120.4186 55.4949 18.0840 179.4663 34 E 3.9447 7.9526 115.6941 59.7628 29.5053 178.9172 35 Y 4.2141 8.4579 119.6915 61.0399 38.9318 178.2510 36 T 3.9146 8.6797 116.9170 66.6399 68.6231 176.3372 37 K 3.8178 8.1680 120.4618 59.6703 32.0046 178.5782 38 E 3.8650 8.1756 119.0567 59.7076 29.6027 179.4673 39 V 3.5800 7.7714 112.1869 63.8924 31.4429 178.5778 40 L 4.2041 7.8972 119.0343 57.3124 41.5175 179.2640 41 R 3.9331 7.7893 117.7938 59.7951 30.1200 179.0022 42 T 3.9052 7.7201 112.5756 65.2296 66.9328 176.1908 43 I 3.8845 8.0530 121.6732 64.0665 37.0479 178.2890 44 A 4.1008 8.4842 121.8586 55.3784 18.2493 179.6031 45 E 3.9223 8.2464 117.0754 59.6250 29.3761 178.9599 46 E 3.8709 8.4904 118.8489 59.0040 29.6928 177.7506 47 L 4.0996 7.2370 116.5905 55.0184 42.2145 177.6283 48 G 4.0463 8.5111 106.7264 45.2413 0.0000 172.1217 49 C 5.2487 8.3897 116.8423 55.1173 43.1329 172.9795 50 E 4.7334 8.7356 120.8376 54.7285 31.5736 175.2258 51 V 4.0782 8.3857 123.5967 62.9758 31.6566 175.3421 52 L 4.5633 8.0363 126.6922 55.8253 43.4406 176.9379 53 A 4.5361 7.5792 117.3387 50.9400 22.5792 175.2087 54 L 5.1069 8.5549 124.3724 53.5025 45.4302 174.9361 55 E 4.6211 9.0902 123.7663 54.7189 33.0566 174.8470 56 V 4.7533 8.3380 122.3187 61.1816 31.3988 174.3729 57 M 4.4541 8.2442 125.4501 52.5786 33.9193 175.5153 58 P 4.4893 0.0000 0.0000 64.1294 31.6106 177.0130 59 D 4.9009 7.7346 116.3970 53.7421 41.2756 175.6194 60 H 4.8330 7.6787 113.3340 54.7468 32.4146 172.6723 61 I 4.3099 7.8864 121.5036 59.9268 39.3220 174.2693 62 H 4.9122 8.7570 126.0937 54.4289 32.5559 171.9662 63 L 4.6983 9.3896 130.1008 53.3479 44.1312 174.5717 64 F 5.6379 9.0489 130.3934 56.8132 41.3328 174.8725 65 V 4.6806 8.7834 124.6538 60.3385 35.4391 172.6756 66 N 5.4411 8.8229 121.5077 52.4223 40.6580 172.9759 67 C 5.6181 9.1472 122.6607 54.5353 38.9416 172.5055 68 P 3.6580 0.0000 0.0000 61.3406 31.5202 175.9060 69 P 4.2997 0.0000 0.0000 64.8456 31.1087 177.6118 70 R 3.7295 7.1193 114.9884 58.3291 29.6039 176.2955 71 Y 4.3456 7.2360 116.3993 56.4334 39.0348 175.6463 72 A 4.2204 8.4373 126.9728 51.0545 20.5068 175.8863 73 P 4.1004 0.0000 0.0000 65.9770 31.6277 179.2082 74 S 3.9356 8.1522 112.1467 61.5961 62.7569 175.4018 75 Y 3.8988 8.0897 122.6121 60.4934 38.3564 178.2110 76 L 3.5217 7.7296 118.8090 57.6661 41.4908 179.0556 77 A 3.1564 7.6376 120.9604 55.0116 18.0143 178.8457 78 N 4.0401 7.3774 114.2938 55.7079 39.2756 176.7336 79 Y 3.4861 7.4650 121.3299 60.4201 38.7878 177.4404 80 F 4.0767 7.9495 119.0055 60.7360 39.0270 178.0401 81 K 3.4178 7.1534 117.0396 59.4198 31.8245 179.1542 82 G 3.6783 7.7950 105.6128 48.4263 0.0000 175.6291 83 K 3.8473 7.8989 121.0337 58.4734 32.1466 179.6884 84 S 4.1986 7.8882 114.0913 61.5100 62.7720 176.0187 85 A 3.9655 8.7384 124.9700 55.1373 18.1694 179.4186 86 R 3.8769 8.0722 115.8452 59.8520 30.1719 179.3803 87 L 4.1484 8.1138 118.2069 57.7924 41.6657 179.7168 88 I 4.1910 8.1836 119.9810 64.4255 36.9371 178.4456 89 L 4.1058 8.0664 119.0434 57.2533 41.4207 179.1760 90 K 4.0865 7.8897 119.3780 58.6576 32.3216 178.0798 91 K 4.2908 7.1365 114.6186 55.9027 34.5811 176.6114 92 F 4.9691 7.5436 119.3378 55.5573 39.0229 175.6233 93 Q 4.0703 8.0429 123.2036 58.4356 28.7837 177.7102 94 E 3.9229 8.2228 119.4833 59.5531 29.5665 179.0250 95 L 4.1753 7.9215 120.7902 57.3176 42.0513 178.7354 96 K 3.9834 8.1097 119.8689 58.8712 31.9211 177.9697 97 K 4.4968 7.9364 116.7138 56.4843 32.2240 177.3185 98 S 4.4255 7.7577 114.9576 59.4168 65.3160 176.3758 99 T 3.7567 8.2833 115.9587 62.8988 67.2221 174.1135 100 N 4.4631 8.3107 114.5857 53.0726 38.3271 173.4001 101 G 3.9933 7.3458 112.7031 45.5558 0.0000 177.0262 102 K 4.1423 8.9857 124.2311 56.6441 32.9813 176.0827 103 L 4.1478 8.4387 120.2275 54.8963 42.7526 175.7585 104 W 5.4687 7.4377 113.2976 54.4373 31.3387 173.9274 105 T 4.2038 8.0666 108.8960 61.9317 68.5303 173.6806 106 R 4.5030 8.3488 118.4254 56.4700 30.2064 176.4641 107 S 4.8053 7.8339 110.9004 56.9274 65.7070 172.0778 108 Y 5.3090 7.8448 120.8475 55.9701 40.8642 173.3158 109 F 5.1620 10.5874 124.2923 56.6037 41.9060 174.6940 110 V 5.1467 7.6689 123.8153 59.4932 34.4462 174.2820 111 S 4.6233 7.9681 115.2076 57.6784 65.9764 173.2832 112 T 5.5400 8.3241 111.2675 59.9868 70.5770 173.6906 113 S 4.6993 8.8584 117.1065 56.9815 65.5440 171.8198 114 G 3.6062 8.4299 111.5726 44.0608 0.0000 172.7409 115 N 4.8532 8.6711 123.1643 51.4628 40.2315 174.2421 116 V 4.4254 8.2868 123.2774 60.9774 33.6870 174.8243 117 S 4.8484 8.1731 119.6125 55.9373 65.4454 174.9077 118 S 4.2380 8.8544 118.7186 62.3831 62.2601 177.0569 119 E 4.1364 7.5424 118.8117 59.0475 29.2446 178.6489 120 T 4.0622 8.3266 113.7919 64.8188 67.4241 176.0695 121 I 3.6383 7.7839 121.3654 64.5037 37.0826 177.9225 122 K 4.0013 7.9353 117.7563 59.7137 31.9737 179.3130 123 K 3.8982 7.6510 119.4707 59.4179 32.0891 178.2319 124 Y 3.9437 8.3133 120.2183 60.7554 38.7196 178.1075 125 I 3.1267 7.5870 120.1005 64.1651 37.2557 177.7634 126 E 4.0277 8.1424 119.3918 59.7852 29.1538 179.0857 127 E 3.8941 7.7479 117.0625 59.9387 29.6565 179.4522 128 Q 3.9614 7.3554 116.3322 57.9624 28.7907 178.1516 129 W 5.1678 7.9941 119.9902 58.9833 29.8467 176.7437 130 A 4.3311 7.6335 122.2557 52.3150 15.8905 177.4705 131 K 4.1532 8.0987 119.4244 57.2589 33.1497 176.2872 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 M 8.30 4.13 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.62 0.00 2 E 7.56 4.34 0.00 1.89 1.73 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 2.17 2.44 0.00 3 Y 9.24 4.42 0.00 2.81 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 4 K 8.09 4.79 0.00 0.79 1.45 0.00 1.18 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.26 1.27 7.81 5 S 8.65 5.66 0.00 3.92 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 6 T 8.70 4.46 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 1.18 0.00 0.00 7 R 8.50 3.94 0.00 1.54 1.99 0.00 3.31 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 8 H 7.57 5.06 0.00 3.22 3.33 0.00 5.50 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.10 4.73 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 10 K 8.56 5.09 0.00 1.81 1.66 0.00 1.62 0.00 0.00 1.81 0.00 0.00 3.16 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.16 1.43 7.81 11 Y 8.64 5.06 0.00 3.08 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 12 L 8.47 4.41 0.00 0.94 1.34 0.59 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 13 C 8.85 4.55 0.00 3.29 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 14 N 7.96 5.23 0.00 2.92 2.94 0.00 0.00 6.77 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 15 Y 9.24 5.16 0.00 2.91 2.30 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 16 H 9.79 5.18 0.00 3.14 3.44 0.00 5.55 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 F 9.79 5.65 0.00 3.32 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 18 V 9.93 5.38 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 1.16 0.00 0.00 19 W 8.03 5.38 0.00 3.42 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 20 I 8.58 4.93 2.06 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.05 1.00 0.00 0.00 21 P 0.00 5.40 0.00 2.71 2.57 0.00 3.58 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.43 0.00 22 K 8.14 3.98 0.00 1.55 1.25 0.00 1.47 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.46 7.81 23 Y 7.06 4.97 0.00 2.92 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 24 R 8.38 4.82 0.00 1.76 1.86 0.00 3.27 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 25 R 8.78 3.91 0.00 1.83 1.70 0.00 3.47 0.00 0.00 3.41 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 26 K 8.85 4.53 0.00 1.66 1.74 0.00 1.74 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 1.31 1.39 7.81 27 V 7.23 3.41 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 0.71 0.00 0.00 1.08 0.00 0.00 28 L 7.24 3.94 0.00 1.73 1.59 1.13 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 29 T 7.96 4.17 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 1.21 0.00 0.00 30 G 8.44 3.74 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 0.00 0.00 0.00 31 E 8.45 4.04 0.00 2.11 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 2.69 2.53 0.00 32 V 7.57 3.47 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 0.69 0.00 0.00 0.01 0.00 0.00 33 A 7.98 4.07 1.44 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 0.00 0.00 34 E 7.95 3.94 0.00 2.29 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 0.00 2.38 2.36 0.00 35 Y 8.46 4.21 0.00 3.29 3.45 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 36 T 8.68 3.91 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 37 K 8.17 3.82 0.00 2.01 1.89 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.77 7.81 38 E 8.18 3.87 0.00 2.17 1.92 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 2.26 2.35 0.00 39 V 7.77 3.58 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 -0.05 0.00 0.00 0.91 0.00 0.00 40 L 7.90 4.20 0.00 1.81 1.72 1.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 41 R 7.79 3.93 0.00 2.05 2.00 0.00 3.13 0.00 0.00 3.10 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.90 0.00 42 T 7.72 3.91 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 43 I 8.05 3.88 2.19 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 1.43 0.96 0.83 0.00 0.00 44 A 8.48 4.10 1.61 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 45 E 8.25 3.92 0.00 2.07 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 2.36 2.58 0.00 46 E 8.49 3.87 0.00 1.92 2.32 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 2.38 2.35 0.00 47 L 7.24 4.10 0.00 1.60 1.36 0.07 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.51 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 C 8.39 5.25 0.00 3.09 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.74 4.73 0.00 2.00 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 0.00 2.21 2.35 0.00 51 V 8.39 4.08 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 0.79 0.00 0.00 0.94 0.00 0.00 52 L 8.04 4.56 0.00 1.13 1.62 0.15 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.58 4.54 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 54 L 8.55 5.11 0.00 1.54 1.48 0.83 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 55 E 9.09 4.62 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.50 0.00 56 V 8.34 4.75 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 0.91 0.00 0.00 0.88 0.00 0.00 57 M 8.24 4.45 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 58 P 0.00 4.49 0.00 2.05 2.10 0.00 3.64 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 59 D 7.73 4.90 0.00 2.79 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 60 H 7.68 4.83 0.00 3.07 3.31 0.00 5.24 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 I 7.89 4.31 0.56 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 0.40 0.41 0.29 0.00 0.00 62 H 8.76 4.91 0.00 3.16 3.36 0.00 5.54 0.00 0.00 0.00 0.00 6.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 9.39 4.70 0.00 1.56 1.49 0.77 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 9.05 5.64 0.00 3.05 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 V 8.78 4.68 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 0.98 0.00 0.00 1.00 0.00 0.00 66 N 8.82 5.44 0.00 2.68 2.67 0.00 0.00 7.04 7.04 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 67 C 9.15 5.62 0.00 3.34 3.19 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 68 P 0.00 3.66 0.00 1.89 1.69 0.00 3.95 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 69 P 0.00 4.30 0.00 2.00 2.04 0.00 2.58 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 1.62 1.62 0.00 70 R 7.12 3.73 0.00 1.50 1.73 0.00 2.56 0.00 0.00 2.82 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.50 0.00 71 Y 7.24 4.35 0.00 2.93 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 72 A 8.44 4.22 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 73 P 0.00 4.10 0.00 2.23 2.08 0.00 3.66 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.20 0.00 74 S 8.15 3.94 0.00 4.15 4.30 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 75 Y 8.09 3.90 0.00 3.11 3.19 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 76 L 7.73 3.52 0.00 1.77 1.40 0.83 0.44 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 77 A 7.64 3.16 0.41 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 78 N 7.38 4.04 0.00 2.68 2.57 0.00 0.00 6.78 7.00 0.00 0.00 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 7.46 3.49 0.00 2.31 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 80 F 7.95 4.08 0.00 2.64 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 81 K 7.15 3.42 0.00 1.34 1.43 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.66 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.30 0.52 7.81 82 G 7.79 3.68 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 0.00 0.00 0.00 83 K 7.90 3.85 0.00 1.38 1.58 0.00 1.41 0.00 0.00 1.36 0.00 0.00 2.61 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.63 0.21 7.81 84 S 7.89 4.20 0.00 4.35 4.33 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 85 A 8.74 3.97 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 R 8.07 3.88 0.00 2.03 2.01 0.00 3.06 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 87 L 8.11 4.15 0.00 1.82 1.88 0.91 0.68 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 88 I 8.18 4.19 1.99 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.48 1.28 0.00 0.00 89 L 8.07 4.11 0.00 1.61 1.73 0.87 0.75 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 90 K 7.89 4.09 0.00 1.94 1.97 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.58 7.81 91 K 7.14 4.29 0.00 1.51 1.53 0.00 0.73 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.75 0.21 7.81 92 F 7.54 4.97 0.00 3.30 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 93 Q 8.04 4.07 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.89 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 94 E 8.22 3.92 0.00 2.05 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 2.39 2.38 0.00 95 L 7.92 4.18 0.00 1.80 1.76 0.75 0.77 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 96 K 8.11 3.98 0.00 2.04 1.97 0.00 1.86 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.46 7.81 97 K 7.94 4.50 0.00 1.94 1.78 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.42 7.81 98 S 7.76 4.43 0.00 3.67 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 99 T 8.28 3.76 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 100 N 8.31 4.46 0.00 2.95 2.90 0.00 0.00 6.80 6.54 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 0.00 101 G 7.35 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 0.00 102 K 8.99 4.14 0.00 2.02 1.86 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.79 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.49 7.81 103 L 8.44 4.15 0.00 1.37 1.05 0.44 0.42 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 0.00 104 W 7.44 5.47 0.00 3.42 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 0.00 105 T 8.07 4.20 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 1.29 0.00 0.00 106 R 8.35 4.50 0.00 1.86 2.01 0.00 3.17 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 107 S 7.83 4.81 0.00 3.80 3.75 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 0.00 108 Y 7.84 5.31 0.00 3.13 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 0.00 109 F 10.59 5.16 0.00 2.95 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 0.00 110 V 7.67 5.15 1.79 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 0.90 0.00 0.00 0.19 0.00 0.00 111 S 7.97 4.62 0.00 3.83 3.75 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 0.00 112 T 8.32 5.54 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 113 S 8.86 4.70 0.00 4.01 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 G 8.43 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 0.00 0.00 0.00 115 N 8.67 4.85 0.00 2.71 2.76 0.00 0.00 6.95 7.68 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 0.00 116 V 8.29 4.43 2.10 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 0.87 0.00 0.00 0.97 0.00 0.00 117 S 8.17 4.85 0.00 4.00 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 0.00 118 S 8.85 4.24 0.00 3.89 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 0.00 119 E 7.54 4.14 0.00 1.96 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 2.35 2.32 0.00 120 T 8.33 4.06 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 1.22 0.00 0.00 121 I 7.78 3.64 2.02 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 1.77 0.62 0.92 0.00 0.00 122 K 7.94 4.00 0.00 1.84 1.91 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.67 7.81 123 K 7.65 3.90 0.00 1.91 1.95 0.00 1.50 0.00 0.00 1.55 0.00 0.00 2.99 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.37 1.55 7.81 124 Y 8.31 3.94 0.00 2.94 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 I 7.59 3.13 1.83 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 1.43 0.36 0.19 0.00 0.00 126 E 8.14 4.03 0.00 2.23 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 2.44 2.52 0.00 127 E 7.75 3.89 0.00 1.86 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 2.30 2.40 0.00 128 Q 7.36 3.96 0.00 1.57 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.95 0.00 0.00 0.00 0.00 0.00 1.31 1.63 0.00 129 W 7.99 5.17 0.00 3.39 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 0.00 130 A 7.63 4.33 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 0.00 131 K 8.10 4.15 0.00 1.76 1.68 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.44 7.81