NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3823 8.2893 120.3268 55.2320 33.0199 175.9371 2 D 4.5692 8.2823 123.8444 51.8115 42.5989 175.2679 3 H 4.2263 8.8474 117.7660 59.2867 30.1729 177.8541 4 L 3.9070 7.9622 121.6973 58.2843 41.9616 179.0715 5 K 4.2570 9.3093 120.6047 59.1264 31.9678 179.1695 6 H 4.0354 7.8454 115.6149 58.7389 28.7523 177.8440 7 L 3.6887 7.6564 120.3596 57.6938 40.9493 179.5594 8 Q 4.0417 8.1362 118.0327 58.7002 28.5915 178.3494 9 Q 4.0706 7.8678 118.7876 57.8702 28.8291 178.0667 10 L 3.8077 7.5208 121.7709 57.8293 41.9433 178.6397 11 Q 4.0480 8.0005 119.2879 59.0513 29.0089 177.6577 12 N 4.2196 7.9133 117.5467 56.8641 39.0653 176.5978 13 I 3.2497 7.5663 121.1397 64.5503 37.1381 178.1934 14 E 4.0845 8.1607 119.0484 59.4306 29.2465 179.5201 15 R 3.7912 7.6947 118.1742 59.4472 30.2012 179.1801 16 I 3.7476 7.7538 119.4484 64.2723 37.1501 178.7775 17 V 3.6592 7.9384 119.0970 66.0975 31.5280 178.1208 18 L 4.1179 8.0326 118.7689 57.7598 41.3788 179.4254 19 S 4.1866 8.4734 113.6413 61.4590 62.3751 176.4769 20 G 3.7390 8.1225 108.2481 47.9698 0.0000 175.7148 21 I 4.0321 7.7329 121.5519 64.1599 36.8784 178.6716 22 V 3.9233 7.6585 118.4938 65.7451 31.5025 177.3546 23 L 4.4646 8.0207 118.3817 55.9488 43.4231 176.9739 24 A 4.7102 7.9713 121.5153 49.2122 20.1766 175.6183 25 N 4.7109 9.1068 121.3245 55.9436 38.8820 176.0746 26 H 4.2541 8.4799 115.4293 58.6748 28.3211 177.3313 27 K 4.0495 7.8562 120.7406 58.6576 31.7625 178.5201 28 I 3.8248 7.8668 119.5365 64.2942 37.4812 177.6433 29 E 4.0403 8.0588 119.2372 59.4318 29.1931 179.1158 30 E 4.0537 8.1259 115.7334 59.3927 29.9293 178.7842 31 V 3.7929 8.0992 119.3257 65.9540 31.4626 177.4880 32 H 5.1296 9.0280 119.6242 58.2862 29.5533 176.7213 33 S 4.3743 7.8581 114.2459 59.8245 62.8077 174.6700 34 V 4.2136 7.5536 120.5168 63.5180 33.5986 175.3501 35 L 4.9051 8.2274 118.9233 52.8710 44.0240 175.3146 36 E 5.2822 8.9527 120.8462 53.7550 32.8999 175.6224 37 P 4.8404 0.0000 0.0000 65.8837 31.5176 179.2943 38 S 4.2987 8.2808 111.6810 61.1562 62.7771 174.8312 39 D 4.7606 7.8045 118.0508 54.6142 40.8772 176.2532 40 F 4.5060 8.1493 119.5795 56.6901 39.6892 174.7275 41 Y 4.3051 9.7002 128.3273 60.7495 38.8816 175.8311 42 Y 4.3296 8.3820 124.1833 55.8612 39.1891 173.7045 43 P 4.1441 0.0000 0.0000 65.6185 31.4873 176.7484 44 P 4.1219 0.0000 0.0000 65.3265 31.0921 178.4463 45 N 4.2949 8.1059 115.9805 55.9666 38.3499 177.6668 46 G 3.4977 7.7034 106.7156 47.8108 0.0000 175.7021 47 L 4.0116 8.0045 121.4730 57.0856 41.4612 179.4928 48 F 3.9502 8.0846 120.8587 61.2444 39.3335 177.0411 49 F 4.2875 8.2223 120.3911 61.3087 38.7855 176.7022 50 E 3.7821 8.4750 119.1625 59.0493 29.3866 178.9484 51 I 3.7022 7.5600 119.8851 64.0158 37.1203 178.0957 52 A 3.8432 7.8531 121.7880 54.9825 18.0939 179.5305 53 L 3.6637 7.5967 117.4731 57.9847 41.4684 179.9341 54 K 3.8530 7.2191 115.4172 59.3624 32.2503 179.2129 55 L 4.0261 7.7774 119.1645 58.0288 41.5298 178.8870 56 H 4.0726 8.4282 118.5092 59.4316 29.5536 176.9609 57 E 3.9826 8.2558 119.6627 58.5628 29.1780 178.2197 58 E 4.4563 7.7951 115.6493 55.4331 29.7109 176.2824 59 D 4.5623 7.8372 116.8706 55.6450 39.0833 173.1373 60 C 4.2333 7.1898 117.0290 57.7883 28.9436 172.0775 61 P 4.3670 0.0000 0.0000 63.3206 31.4402 176.4743 62 I 4.3049 9.3249 123.7191 59.9739 36.4494 174.4956 63 D 4.9952 8.1471 124.3868 50.6561 42.7491 176.2699 64 E 3.5540 8.5509 117.3547 59.4236 29.1596 178.8406 65 N 4.1255 7.8718 116.4664 56.9071 39.1155 176.9072 66 F 4.5022 8.7495 119.2611 60.2828 38.7593 177.9514 67 I 3.6941 7.8628 119.2642 64.3439 37.1186 178.4324 68 R 4.0650 7.7665 118.7108 59.3980 29.8116 178.5901 69 Q 3.8854 7.6920 118.2529 58.8455 29.0328 177.3858 70 K 4.3751 7.9386 115.4046 55.8987 32.3068 175.6658 71 M 4.0832 8.3866 118.1855 56.6338 33.9027 173.5628 72 P 3.3244 0.0000 0.0000 61.6722 32.5165 176.6713 73 K 5.0354 5.6600 130.7176 58.2404 32.0771 176.2430 74 D 4.4547 7.7245 117.5370 54.8357 40.1926 176.2610 75 K 4.4959 7.8888 120.5720 54.1771 34.2906 174.2906 76 Q 4.9859 8.4595 125.3515 54.1873 32.3653 173.8320 77 I 4.4890 7.9483 120.7196 58.7465 39.6573 176.7872 78 K 4.0620 8.5278 124.5102 56.2974 33.8635 177.2993 79 E 3.9724 8.9166 123.4999 59.8200 29.4895 179.4227 80 E 4.0363 8.1867 116.7252 59.4805 29.3942 178.6102 81 D 4.4208 8.0968 119.5104 56.7702 40.9695 178.2594 82 L 3.9640 7.9558 121.0299 58.2044 42.1773 178.9301 83 V 3.7854 8.0987 118.0098 66.2909 31.2327 177.8992 84 A 3.9763 8.0510 118.9405 54.5838 18.4971 179.4429 85 I 3.6970 7.0462 117.3195 64.3359 37.1910 178.3469 86 F 4.3451 7.5683 116.7607 60.3237 38.8345 176.8405 87 A 4.3332 8.2113 117.8257 51.9088 19.0598 177.5695 88 A 4.1122 7.0332 120.3153 51.8020 19.1062 177.4034 89 S 4.4729 8.3920 117.1742 57.2188 63.6700 172.7552 90 P 4.4632 0.0000 0.0000 62.2956 31.7906 175.6581 91 I 4.4880 8.1032 122.3780 59.6747 40.1866 174.1646 92 D 4.7557 8.2487 120.6179 53.2416 42.9202 176.1425 93 N 4.0077 8.3799 116.7645 54.8519 36.5134 173.9117 94 I 4.0035 7.3204 110.5981 60.6424 38.5039 177.1334 95 E 3.9105 8.1014 122.1164 59.9483 29.1668 178.9571 96 A 3.9695 7.8341 119.8342 55.4290 18.6234 178.8077 97 Y 4.4103 8.0662 114.7156 61.6703 38.1109 179.2201 98 V 3.5593 8.2228 119.1593 66.0111 31.4956 177.6796 99 E 3.9585 8.0277 118.6472 59.2023 29.4502 178.6386 100 E 3.9523 8.4592 119.0162 59.2147 29.5809 179.3794 101 I 3.5638 7.7632 120.1428 64.0182 37.0890 178.3819 102 K 3.8602 7.8002 120.0994 59.3054 32.0311 178.6275 103 N 4.2024 8.2694 116.6153 56.4220 38.5407 177.0025 104 A 3.8619 7.9787 122.0621 55.2607 18.2273 179.6324 105 S 3.9277 7.7549 110.9726 61.7722 62.5821 176.4703 106 I 3.7354 7.6863 122.4093 64.2457 36.7803 178.6522 107 K 3.9902 8.0395 119.3230 59.4866 31.8225 179.6013 108 R 3.7670 7.7083 118.2440 59.1946 30.0223 179.2302 109 K 4.0115 8.2345 118.3568 59.4207 31.9657 179.1270 110 L 4.0590 8.1478 120.5777 58.2214 42.0374 179.1266 111 F 4.1924 8.7172 118.0132 60.3605 38.7845 177.9023 112 G 3.6836 8.6764 105.8848 47.8295 0.0000 175.5224 113 L 3.9617 8.1496 122.9214 57.6546 42.2152 178.8150 114 A 3.9646 8.4258 121.2013 55.6716 18.3665 178.8100 115 N 4.2804 8.4414 115.0972 56.2214 38.5830 177.3690 116 T 3.9035 8.4762 116.9399 67.1959 68.6261 176.5905 117 I 3.7150 7.9935 121.6089 64.3066 37.1125 178.3455 118 R 4.1349 7.6051 113.5478 57.7744 29.5979 177.3823 119 E 4.2056 7.9237 120.8203 58.8692 29.8399 177.3654 120 Q 4.1428 8.0332 117.4054 57.8622 29.2842 176.8802 121 A 4.1976 7.7019 120.5622 52.5031 18.9430 176.7674 122 H 4.3482 7.8151 117.4599 56.0294 30.4259 174.6070 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 8.29 4.38 0.00 1.92 2.02 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 2.46 0.00 2 D 8.28 4.57 0.00 3.00 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 3 H 8.85 4.23 0.00 3.24 3.37 0.00 5.88 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 7.96 3.91 0.00 1.80 1.99 0.91 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 5 K 9.31 4.26 0.00 1.71 1.77 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.43 1.59 7.81 6 H 7.85 4.04 0.00 3.33 3.21 0.00 5.62 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 7 L 7.66 3.69 0.00 1.77 1.68 0.83 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.14 4.04 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.63 0.00 9 Q 7.87 4.07 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.82 0.00 0.00 0.00 0.00 0.00 2.52 2.38 0.00 10 L 7.52 3.81 0.00 1.64 1.47 0.32 0.42 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 11 Q 8.00 4.05 0.00 2.45 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.14 2.27 0.00 12 N 7.91 4.22 0.00 2.92 2.82 0.00 0.00 7.23 7.30 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 13 I 7.57 3.25 1.79 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.06 0.51 0.00 0.00 14 E 8.16 4.08 0.00 2.29 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 0.00 2.38 2.76 0.00 15 R 7.69 3.79 0.00 1.84 1.88 0.00 3.17 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.75 0.00 16 I 7.75 3.75 2.15 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.03 1.20 0.00 0.00 17 V 7.94 3.66 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 1.11 0.00 0.00 1.07 0.00 0.00 18 L 8.03 4.12 0.00 1.60 1.40 0.53 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 19 S 8.47 4.19 0.00 4.07 4.03 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 20 G 8.12 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 21 I 7.73 4.03 2.22 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 1.23 1.03 0.00 0.00 22 V 7.66 3.92 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 1.37 0.00 0.00 23 L 8.02 4.46 0.00 1.88 1.73 0.98 1.06 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 24 A 7.97 4.71 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 25 N 9.11 4.71 0.00 2.87 3.01 0.00 0.00 7.35 8.16 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 26 H 8.48 4.25 0.00 3.47 3.64 0.00 5.65 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.86 4.05 0.00 1.94 1.91 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.19 7.81 28 I 7.87 3.82 1.84 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.19 0.62 0.00 0.00 29 E 8.06 4.04 0.00 2.08 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 2.39 2.62 0.00 30 E 8.13 4.05 0.00 2.15 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 2.39 2.41 0.00 31 V 8.10 3.79 2.31 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 1.04 0.00 0.00 1.09 0.00 0.00 32 H 9.03 5.13 0.00 3.58 3.52 0.00 5.70 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 33 S 7.86 4.37 0.00 4.04 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 34 V 7.55 4.21 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 0.79 0.00 0.00 0.94 0.00 0.00 35 L 8.23 4.91 0.00 1.61 1.27 0.35 0.90 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 36 E 8.95 5.28 0.00 2.21 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 2.32 2.47 0.00 37 P 0.00 4.84 0.00 2.31 2.49 0.00 3.77 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.30 0.00 38 S 8.28 4.30 0.00 4.03 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 7.80 4.76 0.00 2.66 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 40 F 8.15 4.51 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 41 Y 9.70 4.31 0.00 2.75 3.40 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 0.00 42 Y 8.38 4.33 0.00 2.84 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 43 P 0.00 4.14 0.00 1.93 2.00 0.00 3.23 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 1.99 2.13 0.00 44 P 0.00 4.12 0.00 1.67 1.89 0.00 2.20 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.78 0.00 45 N 8.11 4.29 0.00 3.03 2.61 0.00 0.00 6.75 7.14 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 46 G 7.70 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 L 8.00 4.01 0.00 1.69 1.70 0.86 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 48 F 8.08 3.95 0.00 3.21 3.02 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 49 F 8.22 4.29 0.00 2.77 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.47 3.78 0.00 2.17 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 2.25 2.30 0.00 51 I 7.56 3.70 1.69 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.97 0.79 0.00 0.00 52 A 7.85 3.84 1.21 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 0.00 0.00 53 L 7.60 3.66 0.00 1.39 1.47 0.46 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 54 K 7.22 3.85 0.00 1.89 1.81 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.50 7.81 55 L 7.78 4.03 0.00 1.81 1.81 0.97 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 56 H 8.43 4.07 0.00 3.28 3.38 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 57 E 8.26 3.98 0.00 2.07 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 2.58 2.44 0.00 58 E 7.80 4.46 0.00 2.12 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 2.31 2.38 0.00 59 D 7.84 4.56 0.00 2.74 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 60 C 7.19 4.23 0.00 2.44 2.31 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 61 P 0.00 4.37 0.00 2.43 2.13 0.00 3.40 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.18 0.00 62 I 9.32 4.30 2.05 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.59 0.97 0.00 0.00 63 D 8.15 5.00 0.00 2.82 2.82 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 64 E 8.55 3.55 0.00 1.65 1.51 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 1.47 1.59 0.00 65 N 7.87 4.13 0.00 2.51 2.55 0.00 0.00 7.22 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 66 F 8.75 4.50 0.00 3.09 3.02 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 67 I 7.86 3.69 2.08 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.82 0.72 0.00 0.00 68 R 7.77 4.06 0.00 1.83 1.98 0.00 3.20 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.80 0.00 69 Q 7.69 3.89 0.00 2.06 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.00 0.00 0.00 0.00 0.00 0.00 2.49 2.38 0.00 70 K 7.94 4.38 0.00 1.87 1.77 0.00 1.76 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.35 1.38 7.81 71 M 8.39 4.08 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.72 0.00 72 P 0.00 3.32 0.00 2.38 1.77 0.00 3.80 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.13 0.00 73 K 5.66 5.04 0.00 1.88 1.97 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.25 1.24 7.81 74 D 7.72 4.45 0.00 2.78 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 75 K 7.89 4.50 0.00 1.80 1.65 0.00 1.52 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.41 7.81 76 Q 8.46 4.99 0.00 1.97 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.46 0.00 0.00 0.00 0.00 0.00 2.23 2.40 0.00 77 I 7.95 4.49 1.93 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.79 0.96 0.00 0.00 78 K 8.53 4.06 0.00 2.05 1.77 0.00 1.56 0.00 0.00 1.85 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.58 7.81 79 E 8.92 3.97 0.00 2.10 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 2.41 2.49 0.00 80 E 8.19 4.04 0.00 2.26 2.22 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 2.40 2.45 0.00 81 D 8.10 4.42 0.00 2.90 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 82 L 7.96 3.96 0.00 2.20 1.89 1.12 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 83 V 8.10 3.79 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 1.09 0.00 0.00 1.09 0.00 0.00 84 A 8.05 3.98 1.30 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 0.00 0.00 85 I 7.05 3.70 1.24 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.99 -0.07 0.00 0.00 86 F 7.57 4.35 0.00 3.11 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 87 A 8.21 4.33 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 88 A 7.03 4.11 1.31 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 0.00 0.00 89 S 8.39 4.47 0.00 3.90 3.84 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 90 P 0.00 4.46 0.00 2.07 2.02 0.00 3.65 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 91 I 8.10 4.49 1.81 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 1.41 0.62 0.76 0.00 0.00 92 D 8.25 4.76 0.00 2.59 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 93 N 8.38 4.01 0.00 2.71 2.68 0.00 0.00 7.00 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 I 7.32 4.00 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 1.63 1.02 0.89 0.00 0.00 95 E 8.10 3.91 0.00 2.00 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 2.40 2.38 0.00 96 A 7.83 3.97 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 97 Y 8.07 4.41 0.00 3.16 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.22 3.56 2.22 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 0.96 0.00 0.00 1.00 0.00 0.00 99 E 8.03 3.96 0.00 2.31 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 2.29 2.48 0.00 100 E 8.46 3.95 0.00 2.07 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 0.00 2.34 2.62 0.00 101 I 7.76 3.56 1.73 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 1.23 1.20 0.43 0.00 0.00 102 K 7.80 3.86 0.00 1.81 1.88 0.00 1.47 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.48 7.81 103 N 8.27 4.20 0.00 2.89 2.80 0.00 0.00 6.89 6.87 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 0.00 104 A 7.98 3.86 1.22 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 0.00 0.00 105 S 7.75 3.93 0.00 4.12 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 I 7.69 3.74 1.98 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 1.52 0.84 0.92 0.00 0.00 107 K 8.04 3.99 0.00 1.88 1.47 0.00 1.53 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.50 7.81 108 R 7.71 3.77 0.00 2.02 1.98 0.00 3.20 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 109 K 8.23 4.01 0.00 1.97 1.90 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.61 7.81 110 L 8.15 4.06 0.00 1.96 2.15 0.98 0.83 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 0.00 111 F 8.72 4.19 0.00 3.27 3.13 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 0.00 112 G 8.68 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 0.00 113 L 8.15 3.96 0.00 1.97 1.88 0.94 0.78 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 0.00 114 A 8.43 3.96 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 N 8.44 4.28 0.00 2.99 2.82 0.00 0.00 7.00 6.62 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 0.00 116 T 8.48 3.90 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 0.00 117 I 7.99 3.71 2.00 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 1.58 0.84 0.90 0.00 0.00 118 R 7.61 4.13 0.00 1.97 2.03 0.00 3.03 0.00 0.00 3.12 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.62 0.00 119 E 7.92 4.21 0.00 2.34 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 2.27 2.35 0.00 120 Q 8.03 4.14 0.00 2.09 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.71 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 121 A 7.70 4.20 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 0.00 122 H 7.82 4.35 0.00 3.49 3.35 0.00 5.59 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00