NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2792 8.3144 121.7895 56.1278 32.5776 175.7515 2 E 4.4791 8.3687 116.4624 51.4827 32.6002 173.5973 3 T 4.0852 8.7006 118.1891 61.2304 72.0602 175.0725 4 A 3.9541 8.4455 123.1228 55.3237 18.4817 179.9022 5 A 4.1273 7.9772 118.6368 55.3014 18.5195 179.6012 6 A 4.4085 8.0905 120.7383 54.5924 18.3424 179.8101 7 K 4.1565 8.3631 119.8931 59.0032 32.2062 178.8983 8 F 4.0098 8.3571 121.1240 61.1145 39.1733 176.9168 9 E 4.0204 8.4403 118.2662 59.6032 29.1257 179.4033 10 R 3.8882 7.8642 117.1720 59.5169 30.2184 178.1600 11 Q 3.9717 8.0353 116.9595 57.8342 29.1331 176.1932 12 H 4.8660 7.8511 113.8216 54.0753 31.2823 173.1572 13 M 4.7464 7.9554 118.9437 53.8339 33.6500 176.2647 14 D 4.6774 9.0740 122.9514 52.7342 41.8335 175.3658 15 S 4.4911 8.4700 114.8536 58.4321 63.3352 175.0964 16 S 4.5809 8.1609 115.5600 58.7715 63.6454 174.2665 17 T 4.7620 7.5173 110.2293 59.6858 71.4857 174.1361 18 S 4.2074 8.6851 117.0900 60.6375 63.6844 173.8771 19 A 3.6627 7.4124 119.9674 50.5720 21.2500 175.3935 20 A 2.6979 8.5420 123.0468 52.1432 19.5153 176.4515 21 S 3.7306 8.9887 112.3506 61.9038 62.2377 176.0695 22 S 4.6420 6.0072 117.9946 57.1336 66.0038 175.2941 23 S 4.2294 8.8421 113.0944 61.6757 62.9362 174.5532 24 N 4.6856 8.1663 117.2190 53.6809 39.0214 176.0343 25 Y 3.9983 8.2038 120.8401 61.1575 38.7490 177.6297 26 C 4.1636 8.2965 116.7637 60.0622 35.9208 175.6724 27 N 4.4146 8.2793 117.5546 56.6147 38.0794 177.3494 28 Q 3.8974 7.8876 119.0860 59.3040 28.8061 178.6947 29 M 3.7564 7.5927 121.1740 57.7842 31.7417 178.7553 30 M 4.0024 8.2112 119.3894 58.0020 31.9707 178.8244 31 K 3.9390 7.7492 120.2364 59.5436 31.9761 179.2440 32 S 4.1128 8.1662 113.9209 61.0339 63.1213 175.5386 33 R 4.3265 8.0506 118.1536 55.5650 29.8035 175.7463 34 N 4.2126 7.7246 114.2128 54.7678 36.5083 174.7651 35 L 4.5900 8.1467 115.7774 54.9320 42.1020 177.9275 36 T 5.2973 7.5162 106.1274 60.1801 69.4407 175.0331 37 K 4.0674 8.3712 121.3196 59.8910 32.1557 177.4591 38 D 4.6784 7.8065 115.6239 53.8985 43.0191 176.1887 39 R 3.9720 7.2464 117.1200 54.8376 33.0571 173.9231 40 C 4.9228 8.5798 119.1783 55.5147 40.6863 173.9344 41 K 4.2134 8.5631 127.4764 55.7253 32.6165 174.7540 42 P 4.7477 0.0000 0.0000 64.9982 32.3106 176.3894 43 V 5.1122 7.5734 117.8849 60.9453 34.7893 174.0928 44 N 4.7613 9.3059 124.4548 52.8369 42.9167 172.8602 45 T 4.7932 8.0778 121.8867 61.7005 71.4236 173.0414 46 F 4.9507 8.9647 124.7107 55.6024 42.1724 174.4492 47 V 4.5494 8.9612 123.5743 61.3010 33.1740 175.6996 48 H 5.6776 8.8700 128.5369 53.7290 26.2177 173.2547 49 E 4.7771 7.6760 118.4106 53.3991 34.6673 176.2329 50 S 4.3845 8.3618 114.7476 58.1833 65.0093 174.8816 51 L 3.9941 7.9412 121.9662 58.3534 41.7565 179.2637 52 A 4.1609 8.0333 120.1750 55.4905 18.1228 179.2070 53 D 4.2959 8.0148 116.1527 57.4539 41.1722 178.9333 54 V 3.8006 7.8545 118.6560 66.0351 31.5678 178.0997 55 Q 3.8861 8.5494 118.0888 58.8719 28.5852 178.6276 56 A 4.0464 8.2815 121.5115 54.5294 18.2385 179.6480 57 V 3.4748 7.6689 117.0733 65.9454 31.3058 176.9353 58 C 3.7390 7.7912 114.9959 57.9838 39.8442 174.1363 59 S 4.6628 7.5276 114.4349 57.9426 63.9074 174.6718 60 Q 4.0352 7.4097 122.8054 56.1626 27.1220 177.4942 61 K 4.3476 8.2273 130.3883 56.8900 33.0655 175.0851 62 N 4.2661 8.7905 127.3029 53.4306 39.1347 174.3395 63 V 4.5897 8.3350 118.3890 59.1361 36.6457 175.0538 64 A 4.1991 8.4560 124.9168 52.4815 19.0262 178.3496 65 C 4.7508 8.5959 118.4282 55.5709 41.6360 175.4368 66 K 3.7836 8.8584 121.4317 59.7141 31.5845 178.2722 67 N 4.5181 8.0057 112.9141 53.1936 37.4268 175.7520 68 G 3.9565 8.1763 108.6833 45.5290 0.0000 174.3505 69 Q 4.2163 8.4637 119.2718 56.2940 29.2376 176.4445 70 T 4.7242 8.3548 108.8559 61.6438 69.1158 173.9240 71 N 5.0720 8.0171 118.2257 53.7463 38.5939 174.8591 72 C 5.3197 7.4725 116.1008 56.9735 44.2490 172.5604 73 Y 5.0714 8.8349 118.1647 56.4186 42.1443 173.8240 74 Q 5.1438 8.9892 125.3668 53.8692 31.3491 174.8737 75 S 4.3359 8.9533 122.3136 59.0179 62.8879 174.4833 76 Y 4.5268 9.2095 122.0841 60.4106 37.9078 176.4455 77 S 5.1008 7.8139 112.5261 56.3116 65.7208 174.4356 78 T 4.2172 8.3303 110.8282 62.1776 69.5991 173.3831 79 M 5.0533 8.9697 121.7514 53.3525 37.0009 174.6842 80 S 4.6624 9.2490 117.0103 58.5506 63.5878 173.1071 81 I 5.1984 9.0976 127.5955 59.8735 41.7428 174.3283 82 T 4.9439 9.0669 122.0944 61.8689 71.4949 172.5200 83 D 4.9881 9.1940 127.1217 53.3046 43.2592 174.2190 84 C 5.6547 9.1778 123.1787 55.3727 39.5278 173.2409 85 R 5.4575 8.9944 121.8917 54.2183 34.2263 174.6967 86 E 4.2210 9.0534 122.9408 56.9207 30.9066 176.9264 87 T 4.2531 8.3014 114.0563 60.0045 71.1139 176.0014 88 G 3.6483 8.6522 110.0579 48.6389 0.0000 174.9985 89 S 4.2562 7.4599 113.0377 59.7455 63.1384 174.5055 90 S 4.0732 7.5717 116.6443 57.8381 62.6466 173.5634 91 K 4.2633 8.7344 128.5191 55.3995 34.6321 174.1239 92 Y 4.3403 8.7773 128.1207 57.9090 39.0280 174.2193 93 P 3.4462 0.0000 0.0000 62.6835 32.0349 176.4185 94 N 4.8503 8.1776 117.5999 52.2506 38.0744 173.5779 95 C 4.6426 7.9321 117.3342 56.8617 40.6847 173.2860 96 A 4.9731 8.2369 122.9291 51.0126 22.3549 174.9794 97 Y 5.1645 9.3120 119.8888 55.9486 41.9299 175.1827 98 K 4.4720 9.3742 124.2554 56.0012 34.1785 175.3955 99 T 5.0033 8.5646 123.1206 62.2723 70.5758 173.8436 100 T 4.5290 8.9689 123.6155 61.8631 71.5218 172.7079 101 Q 5.0454 8.5818 127.8101 54.6783 30.8631 174.1819 102 A 4.5247 8.8189 126.2816 51.5819 23.7602 174.3549 103 N 5.3451 8.6553 116.4693 51.9187 40.0910 174.9777 104 K 4.7534 8.9788 122.5181 54.8402 37.6142 175.4639 105 H 4.7529 9.4863 119.2346 55.8569 30.0954 174.5531 106 A 4.8748 9.0322 124.6731 50.8546 21.0612 176.1028 107 I 4.8531 8.2344 122.9421 59.5962 39.9217 175.2589 108 V 4.8002 8.5914 119.7679 59.3140 35.8282 174.5530 109 A 5.0296 8.7291 124.9307 51.0410 20.7021 175.7110 110 C 5.2149 8.7415 119.2334 55.2454 37.6296 173.2524 111 E 4.7136 8.7064 117.8798 56.5165 33.2936 175.2829 112 G 4.1911 9.5898 106.9166 44.8274 0.0000 171.7136 113 N 4.9045 8.1321 115.9592 50.6037 40.3626 172.1544 114 P 4.3160 0.0000 0.0000 62.8739 31.9393 175.9055 115 Y 5.0687 8.2452 121.4297 56.6040 38.6572 174.3932 116 V 4.4084 7.9741 118.9154 58.2315 36.6634 173.3820 117 P 4.3555 0.0000 0.0000 62.8953 30.9593 177.1210 118 V 4.4564 8.6767 115.3687 61.2427 33.9396 175.3964 119 H 5.1959 7.9254 116.3460 54.4243 33.5310 171.9866 120 F 4.7604 8.9485 124.0977 57.2148 39.6903 174.6181 121 D 4.5852 8.4508 126.8175 55.9665 42.0909 175.8132 122 A 4.5677 6.1968 117.8041 51.6347 22.1817 175.0641 123 S 5.2474 8.9297 113.1755 56.5800 66.3453 174.4411 124 V 4.1155 8.6705 120.6426 63.2120 31.7356 175.0970 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 K 8.31 4.28 0.00 1.74 1.50 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.39 7.81 2 E 8.37 4.48 0.00 2.06 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 0.00 2.27 2.37 0.00 3 T 8.70 4.09 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 1.22 0.00 0.00 4 A 8.45 3.95 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 5 A 7.98 4.13 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 6 A 8.09 4.41 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.36 4.16 0.00 2.00 2.01 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.30 7.81 8 F 8.36 4.01 0.00 3.18 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 9 E 8.44 4.02 0.00 2.30 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 2.46 2.63 0.00 10 R 7.86 3.89 0.00 1.80 1.93 0.00 3.35 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 1.62 1.66 0.00 11 Q 8.04 3.97 0.00 1.57 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.46 0.00 0.00 0.00 0.00 0.00 2.22 2.43 0.00 12 H 7.85 4.87 0.00 1.88 2.65 0.00 5.60 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 7.96 4.75 0.00 1.96 2.16 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.69 0.00 14 D 9.07 4.68 0.00 2.62 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 15 S 8.47 4.49 0.00 3.92 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 16 S 8.16 4.58 0.00 4.00 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 17 T 7.52 4.76 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 1.27 0.00 0.00 18 S 8.69 4.21 0.00 3.97 4.02 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 19 A 7.41 3.66 1.04 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 20 A 8.54 2.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.99 3.73 0.00 4.01 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 22 S 6.01 4.64 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 23 S 8.84 4.23 0.00 4.04 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.17 4.69 0.00 2.87 2.89 0.00 0.00 6.44 7.44 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 25 Y 8.20 4.00 0.00 3.19 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 26 C 8.30 4.16 0.00 3.19 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 27 N 8.28 4.41 0.00 2.91 2.93 0.00 0.00 7.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 Q 7.89 3.90 0.00 2.04 1.98 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 2.31 2.44 0.00 29 M 7.59 3.76 0.00 0.73 1.22 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.56 0.00 30 M 8.21 4.00 0.00 1.65 1.82 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.31 0.00 31 K 7.75 3.94 0.00 1.84 1.90 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.44 7.81 32 S 8.17 4.11 0.00 3.96 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 33 R 8.05 4.33 0.00 1.98 2.13 0.00 3.59 0.00 0.00 3.19 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.94 0.00 34 N 7.72 4.21 0.00 2.89 2.92 0.00 0.00 6.83 8.01 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 35 L 8.15 4.59 0.00 1.78 1.64 0.82 0.39 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 36 T 7.52 5.30 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 37 K 8.37 4.07 0.00 1.80 1.96 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.62 1.45 7.81 38 D 7.81 4.68 0.00 2.54 2.56 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 0.00 39 R 7.25 3.97 0.00 1.54 1.59 0.00 3.08 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 40 C 8.58 4.92 0.00 3.12 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 41 K 8.56 4.21 0.00 1.89 1.78 0.00 1.77 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.61 1.40 7.81 42 P 0.00 4.75 0.00 2.19 2.32 0.00 3.89 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.83 0.00 43 V 7.57 5.11 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 0.83 0.00 0.00 0.98 0.00 0.00 44 N 9.31 4.76 0.00 2.64 2.28 0.00 0.00 6.88 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 45 T 8.08 4.79 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 0.65 0.00 0.00 46 F 8.96 4.95 0.00 2.99 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 47 V 8.96 4.55 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 1.15 0.00 0.00 0.99 0.00 0.00 48 H 8.87 5.68 0.00 3.11 3.40 0.00 5.63 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.68 4.78 0.00 1.95 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 2.27 2.29 0.00 50 S 8.36 4.38 0.00 4.07 4.02 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 51 L 7.94 3.99 0.00 1.81 1.74 1.02 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.03 4.16 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 53 D 8.01 4.30 0.00 2.84 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 54 V 7.85 3.80 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 1.26 0.00 0.00 1.05 0.00 0.00 55 Q 8.55 3.89 0.00 2.22 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.32 2.53 0.00 56 A 8.28 4.05 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 7.67 3.47 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.94 0.00 0.00 58 C 7.79 3.74 0.00 2.84 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 59 S 7.53 4.66 0.00 3.90 3.81 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 0.00 0.00 0.00 60 Q 7.41 4.04 0.00 1.82 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.92 0.00 0.00 0.00 0.00 0.00 1.52 2.09 0.00 61 K 8.23 4.35 0.00 2.15 1.88 0.00 1.64 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.50 1.46 7.81 62 N 8.79 4.27 0.00 2.68 2.62 0.00 0.00 7.00 7.71 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 63 V 8.34 4.59 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 0.67 0.00 0.00 0.81 0.00 0.00 64 A 8.46 4.20 1.19 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 0.00 0.00 65 C 8.60 4.75 0.00 3.09 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 66 K 8.86 3.78 0.00 1.73 1.86 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.36 7.81 67 N 8.01 4.52 0.00 2.81 2.90 0.00 0.00 6.26 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 68 G 8.18 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 0.00 0.00 0.00 69 Q 8.46 4.22 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 70 T 8.35 4.72 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 1.18 0.00 0.00 71 N 8.02 5.07 0.00 3.11 3.18 0.00 0.00 6.08 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 72 C 7.47 5.32 0.00 2.77 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 73 Y 8.83 5.07 0.00 2.83 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 74 Q 8.99 5.14 0.00 2.05 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.96 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 75 S 8.95 4.34 0.00 3.92 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 76 Y 9.21 4.53 0.00 3.03 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 77 S 7.81 5.10 0.00 3.90 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 78 T 8.33 4.22 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 79 M 8.97 5.05 0.00 1.96 2.01 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 2.55 2.50 0.00 80 S 9.25 4.66 0.00 3.89 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 81 I 9.10 5.20 1.92 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.80 0.90 0.00 0.00 82 T 9.07 4.94 4.40 0.00 0.00 0.00 0.00 0.00 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 83 D 9.19 4.99 0.00 2.80 2.56 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 0.00 84 C 9.18 5.65 0.00 2.97 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 85 R 8.99 5.46 0.00 1.81 1.81 0.00 3.17 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 86 E 9.05 4.22 0.00 1.84 1.69 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 1.65 2.05 0.00 87 T 8.30 4.25 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 1.23 0.00 0.00 88 G 8.65 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.46 4.26 0.00 3.91 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 90 S 7.57 4.07 0.00 3.85 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 91 K 8.73 4.26 0.00 1.80 1.60 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.86 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.39 7.81 92 Y 8.78 4.34 0.00 3.09 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 93 P 0.00 3.45 0.00 1.72 1.05 0.00 3.64 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.75 0.00 94 N 8.18 4.85 0.00 2.82 2.71 0.00 0.00 7.06 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 95 C 7.93 4.64 0.00 3.11 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 96 A 8.24 4.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 9.31 5.16 0.00 2.97 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 98 K 9.37 4.47 0.00 1.83 1.84 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.46 7.81 99 T 8.56 5.00 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 1.33 0.00 0.00 100 T 8.97 4.53 4.28 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 1.23 0.00 0.00 101 Q 8.58 5.05 0.00 1.93 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.73 0.00 0.00 0.00 0.00 0.00 2.15 2.34 0.00 102 A 8.82 4.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 N 8.66 5.35 0.00 2.58 2.76 0.00 0.00 6.65 7.61 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 0.00 104 K 8.98 4.75 0.00 1.72 1.66 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.46 7.81 105 H 9.49 4.75 0.00 3.15 3.27 0.00 5.80 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 0.00 106 A 9.03 4.87 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 0.00 107 I 8.23 4.85 1.76 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 1.16 0.64 0.84 0.00 0.00 108 V 8.59 4.80 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.82 0.00 0.00 109 A 8.73 5.03 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 0.00 110 C 8.74 5.21 0.00 1.89 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 0.00 0.00 0.00 111 E 8.71 4.71 0.00 2.03 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 2.14 2.25 0.00 112 G 9.59 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 0.00 0.00 0.00 113 N 8.13 4.90 0.00 2.65 2.71 0.00 0.00 6.92 7.69 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 0.00 114 P 0.00 4.32 0.00 2.22 2.05 0.00 3.81 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 115 Y 8.25 5.07 0.00 2.88 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 0.00 116 V 7.97 4.41 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 0.65 0.00 0.00 0.87 0.00 0.00 117 P 0.00 4.36 0.00 0.49 0.84 0.00 3.30 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 1.63 1.73 0.00 118 V 8.68 4.46 1.91 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 0.67 0.00 0.00 0.84 0.00 0.00 119 H 7.93 5.20 0.00 3.14 3.19 0.00 5.80 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 0.00 120 F 8.95 4.76 0.00 2.67 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 0.00 121 D 8.45 4.59 0.00 2.54 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 0.00 122 A 6.20 4.57 1.17 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 0.00 0.00 123 S 8.93 5.25 0.00 3.99 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 0.00 124 V 8.67 4.12 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 0.97 0.00 0.00 0.94 0.00 0.00