NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3722 8.3044 120.3144 54.6977 33.6779 174.2142 2 E 4.0303 8.4130 119.7848 56.8573 30.6566 174.3250 3 Q 5.1668 8.6705 122.1066 54.5498 33.4539 173.8137 4 T 4.7651 8.8885 115.4480 60.4490 71.9896 172.0361 5 F 5.2843 8.7469 127.4200 56.7082 41.4225 174.2892 6 I 4.6979 7.8076 126.9370 59.4884 40.3212 174.3666 7 M 4.7017 8.5182 125.8037 53.5905 35.5432 174.0008 8 I 4.3483 8.4432 127.7121 60.7570 38.5209 176.2122 9 K 4.4534 8.8695 126.8828 55.1877 33.3144 176.3190 10 P 4.4260 0.0000 0.0000 65.3937 31.0679 178.5828 11 D 4.6204 8.2515 117.7454 56.0978 39.3649 178.9322 12 G 3.5772 8.3540 107.8659 47.5248 0.0000 176.0210 13 V 3.5669 7.6499 120.0726 65.9905 31.5285 178.0486 14 Q 4.0767 7.8663 116.4800 58.6337 28.5696 178.0647 15 R 4.3884 7.9038 116.5760 54.8910 30.8622 176.4172 16 G 3.8875 7.8493 106.5455 47.2692 0.0000 175.0575 17 L 4.3565 7.9309 116.6130 54.1248 42.5929 177.7943 18 I 3.7218 7.7118 121.0984 64.5668 36.9726 177.7130 19 G 3.8275 8.0831 105.4396 48.1494 0.0000 174.5275 20 E 3.9432 8.2091 121.7722 58.8698 29.0199 178.8523 21 V 3.6513 7.7553 117.8567 66.2694 31.5462 177.8282 22 I 4.0744 7.7539 119.0591 64.8258 36.9279 177.8728 23 C 4.0917 8.4055 117.5520 63.1700 28.0364 176.6113 24 R 3.8355 7.8067 119.0339 59.3810 29.2420 179.1865 25 F 3.7985 7.6569 116.3512 60.3776 38.4300 177.6323 26 E 4.3507 8.5625 118.5754 59.5511 29.0925 179.6133 27 K 4.0029 8.2608 117.9314 59.1086 32.1409 179.1114 28 K 3.8741 7.7325 119.3996 57.7968 32.0811 177.4137 29 G 3.9362 7.2947 105.0072 44.8604 0.0000 173.8194 30 F 5.1960 7.3833 118.0463 57.5759 40.2091 174.8271 31 T 4.8708 8.7737 111.0962 59.8534 71.1339 173.1809 32 L 3.7022 8.7757 127.5339 54.6423 42.5912 176.2585 33 K 4.7568 8.5806 124.5154 55.9522 34.2173 175.7635 34 G 3.9306 7.2248 105.2061 45.2881 0.0000 172.6063 35 L 5.2029 8.6675 122.7662 54.0368 45.2052 173.9672 36 K 4.4702 8.6912 123.2007 55.8471 36.2864 174.1537 37 L 4.6534 8.5904 126.1974 54.9086 42.8684 175.7994 38 I 4.6442 9.1477 126.3355 59.5930 41.8791 174.4890 39 S 4.7802 8.4875 120.2461 56.3820 63.0993 173.7236 40 V 3.6549 8.3482 127.6789 62.6545 32.2346 174.9718 41 E 4.6005 8.5522 126.0768 55.5743 31.4081 177.7941 42 R 3.7841 8.1679 123.3181 59.0426 30.0980 179.0468 43 S 4.9868 8.0815 115.2314 61.0366 63.0626 176.0554 44 F 3.8893 8.5234 124.1863 60.6950 39.0080 176.8901 45 A 3.9839 8.0755 119.9785 55.4835 18.3092 179.2612 46 E 4.1673 8.1572 116.7010 59.5693 29.4457 179.9799 47 K 3.9486 7.5744 118.2713 59.3914 31.9222 178.7410 48 H 3.9400 7.5652 117.3453 59.2587 30.0217 176.0659 49 Y 4.7891 7.9434 116.8889 58.0008 37.9560 176.8315 50 E 4.1043 8.1535 124.7016 59.6471 29.7152 178.4890 51 D 4.6516 8.1676 115.6835 55.6493 41.1659 176.3398 52 L 4.7424 8.4154 118.9411 53.8512 43.0337 178.0966 53 S 2.0000 7.3714 114.1432 59.8406 62.5934 175.4671 54 S 4.3119 7.5030 113.6843 58.6432 64.0185 174.6178 55 K 3.9215 8.1218 122.3157 55.8452 32.1888 178.0051 56 S 4.3076 8.1248 115.4792 59.8604 63.5671 174.6620 57 F 4.8619 7.0315 115.4480 56.4974 38.5044 176.6163 58 F 4.2367 7.9100 124.3107 62.2679 39.0332 177.1107 59 S 4.0722 8.4355 113.1409 61.3507 62.4948 176.6132 60 G 3.6013 7.9352 108.8420 47.8322 0.0000 175.6332 61 L 3.8999 7.7693 121.5016 57.2048 40.9816 179.7286 62 V 3.6397 7.3477 117.9502 66.1983 31.2686 177.8475 63 D 4.4302 8.3484 117.7591 57.3678 40.7880 178.0365 64 Y 4.2902 8.0972 120.1136 60.6356 38.8347 177.2766 65 I 3.2998 7.9295 118.8644 63.3866 37.9192 176.4098 66 V 4.1429 7.4292 117.6111 62.9482 31.8079 177.0348 67 S 3.9735 8.5285 113.8694 60.4452 63.0969 173.6106 68 G 3.9395 6.8391 108.5389 44.0421 0.0000 171.1431 69 P 4.7513 0.0000 0.0000 62.8018 32.9589 175.6398 70 V 4.5236 8.7916 113.6723 59.6374 36.5660 174.7542 71 V 4.7786 8.3317 121.2894 61.1978 33.4605 174.5214 72 A 4.4150 8.9101 130.9714 52.0341 20.1699 175.8839 73 M 5.3165 8.4145 118.7962 54.0906 37.4313 173.9553 74 I 4.8916 8.0460 121.7563 59.2989 40.6958 174.6381 75 W 5.2420 8.8622 126.0964 54.7506 32.8820 174.0230 76 E 5.1205 10.5420 124.6885 53.5829 32.5574 175.3345 77 G 4.9665 8.1572 115.7371 44.6241 0.0000 171.8648 78 K 4.2925 8.5977 120.5902 57.5053 32.4463 177.3373 79 N 4.3950 9.1673 119.2592 54.2855 36.2827 176.2602 80 V 3.1363 7.5960 121.5947 64.9937 30.7909 178.4922 81 V 3.5395 7.9891 118.4569 65.8139 31.4751 177.8681 82 L 3.9919 7.8858 118.0741 58.2603 41.3994 179.6229 83 T 4.0029 8.3523 115.9286 66.5022 68.4395 176.7119 84 G 3.9993 8.2178 107.7066 48.1864 0.0000 175.8484 85 R 3.9760 8.2258 120.8872 58.6904 29.8421 179.1260 86 K 3.9412 8.2061 118.8799 59.5947 32.5216 178.6456 87 I 3.7400 8.6882 121.2524 64.3575 36.9273 178.5492 88 I 3.7911 7.8411 120.9254 62.0531 36.8940 177.1065 89 G 3.9402 8.0594 104.5366 44.1123 0.0000 172.5369 90 A 4.1755 8.0532 120.8099 52.2691 18.9436 177.9805 91 T 3.9122 8.5707 117.2067 66.6852 68.7964 174.7046 92 N 4.5221 8.0045 121.7950 52.3138 38.9448 173.7603 93 P 4.7167 0.0000 0.0000 64.1806 31.5860 177.3360 94 A 4.1487 8.2453 120.2125 53.4069 18.6186 177.7592 95 A 4.6388 7.9396 116.9598 51.5978 20.8715 176.6274 96 S 4.3156 7.8246 112.3575 57.8431 64.4151 173.5419 97 E 4.3332 8.7803 125.5786 55.2532 30.7986 173.9961 98 P 4.4301 0.0000 0.0000 63.6708 31.4289 175.7791 99 G 3.9752 9.2032 113.8296 46.1128 0.0000 175.0639 100 T 4.4714 7.7758 110.4035 60.4220 71.6307 175.8012 101 I 3.8861 8.2125 123.6445 65.0002 37.1820 179.1763 102 R 4.1400 8.2376 118.8977 59.1878 29.6971 179.3817 103 G 3.6631 8.2433 104.9317 47.5420 0.0000 174.9416 104 D 4.2902 8.1506 120.3744 55.4669 41.1459 177.2472 105 F 4.8705 8.1802 114.6199 56.6408 41.2791 174.8922 106 A 4.8435 8.1986 123.4976 50.6602 20.8055 175.6412 107 I 4.3147 8.3134 119.0233 62.7008 39.7335 175.6614 108 D 4.7319 7.7195 119.3717 52.6912 42.2235 177.0710 109 I 3.6253 8.4459 126.9789 64.4576 37.2141 177.1773 110 G 3.7113 8.6771 106.7787 46.0737 0.0000 173.9674 111 R 4.5840 7.6846 118.2014 55.0552 30.9584 175.1862 112 N 4.5604 8.0133 112.9769 52.7969 38.3789 178.0240 113 V 3.6267 8.5621 123.6145 64.3533 32.4234 171.2143 114 I 5.0683 7.8915 116.8389 60.0242 41.4884 173.4467 115 H 5.0814 9.6136 125.0484 54.3916 33.3232 172.3880 116 G 4.3661 8.0070 109.6847 44.2179 0.0000 172.4604 117 S 4.6657 8.6011 120.4994 59.0686 62.8328 174.6870 118 D 4.6005 9.0628 123.7618 54.9119 40.2431 176.5569 119 S 4.6928 7.9108 114.1696 55.8961 67.5311 175.0159 120 V 3.6442 8.3898 121.9303 65.9326 30.9801 177.9659 121 E 3.9798 8.1504 117.2811 59.6089 29.4614 179.2382 122 S 4.2091 8.0227 115.0717 60.4731 63.0351 175.9798 123 A 4.0771 7.9624 125.1750 55.1895 18.1463 179.3940 124 R 3.9400 8.0948 115.6863 59.4945 30.3011 179.5777 125 K 3.9736 7.8332 117.6350 59.4908 32.0290 179.2993 126 E 3.9724 8.3907 119.2930 59.4738 29.3579 179.5947 127 I 3.8554 8.2833 113.2460 63.7885 37.3781 178.1606 128 A 4.0374 7.6876 121.8149 54.8090 18.2693 179.1249 129 L 3.9757 7.6504 117.7245 58.2580 42.3209 178.9594 130 W 4.5988 8.4096 117.5948 57.7962 30.4331 176.5166 131 F 4.8375 8.5543 118.3413 54.3312 38.7601 173.6069 132 P 4.3999 0.0000 0.0000 65.7613 31.5193 177.7222 133 D 4.4674 8.1592 113.2512 54.4996 40.4616 177.2395 134 G 3.9093 7.8361 109.3695 43.8969 0.0000 171.4862 135 P 4.7078 0.0000 0.0000 62.2025 32.8704 175.7947 136 V 4.1845 8.3739 121.5573 61.9612 32.1445 174.9364 137 N 5.1491 8.7318 125.8264 52.1056 39.8917 174.4530 138 W 4.7763 8.3014 117.5813 56.0101 30.5087 173.7633 139 Q 4.2568 8.6404 118.1546 53.6310 29.9335 175.7992 140 S 4.1405 8.1080 118.3007 58.5875 62.7269 175.3762 141 S 4.3265 8.8614 121.5991 60.8101 63.4290 175.0676 142 V 4.3894 7.6162 113.9898 61.5767 31.6652 177.1409 143 H 4.1263 8.2892 122.9701 58.8360 29.5940 175.7269 144 P 4.1531 0.0000 0.0000 64.5200 30.9437 176.5503 145 W 4.7668 7.7589 117.3502 56.8122 29.9796 176.8505 146 V 3.9285 7.6156 116.8828 63.2467 32.0315 175.2246 147 Y 4.7303 7.6521 115.9825 55.7202 40.6634 174.8432 148 E 4.1533 8.6819 123.9731 56.9136 30.8318 176.4640 149 T 3.6458 8.3919 119.9008 64.1186 68.1557 171.8410 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 4.37 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 2 E 8.41 4.03 0.00 2.14 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 2.39 2.42 0.00 3 Q 8.67 5.17 0.00 1.92 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.58 0.00 0.00 0.00 0.00 0.00 2.23 2.46 0.00 4 T 8.89 4.77 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 1.24 0.00 0.00 5 F 8.75 5.28 0.00 3.20 3.12 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 6 I 7.81 4.70 1.63 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 0.93 0.10 0.67 0.00 0.00 7 M 8.52 4.70 0.00 1.69 1.05 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 8 I 8.44 4.35 1.83 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 1.21 0.58 0.94 0.00 0.00 9 K 8.87 4.45 0.00 2.05 1.94 0.00 1.93 0.00 0.00 1.93 0.00 0.00 3.08 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.59 1.52 7.81 10 P 0.00 4.43 0.00 1.66 1.90 0.00 3.72 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.97 0.00 11 D 8.25 4.62 0.00 2.93 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 12 G 8.35 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 0.00 0.00 0.00 0.00 13 V 7.65 3.57 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 1.05 0.00 0.00 0.97 0.00 0.00 14 Q 7.87 4.08 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.87 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 15 R 7.90 4.39 0.00 1.85 1.94 0.00 3.35 0.00 0.00 3.33 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 16 G 7.85 3.89 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 0.00 0.00 0.00 17 L 7.93 4.36 0.00 1.59 1.28 0.62 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 18 I 7.71 3.72 1.86 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 1.56 1.12 0.92 0.00 0.00 19 G 8.08 3.83 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 0.00 0.00 0.00 20 E 8.21 3.94 0.00 2.04 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 0.00 2.52 2.56 0.00 21 V 7.76 3.65 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 1.13 0.00 0.00 0.98 0.00 0.00 22 I 7.75 4.07 2.19 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 1.83 0.83 1.25 0.00 0.00 23 C 8.41 4.09 0.00 3.25 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 24 R 7.81 3.84 0.00 1.76 1.77 0.00 3.15 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.88 0.00 25 F 7.66 3.80 0.00 1.71 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 26 E 8.56 4.35 0.00 2.42 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 2.81 3.08 0.00 27 K 8.26 4.00 0.00 1.79 1.82 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.65 7.81 28 K 7.73 3.87 0.00 1.57 1.49 0.00 1.39 0.00 0.00 1.49 0.00 0.00 3.01 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.05 0.58 7.81 29 G 7.29 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 F 7.38 5.20 0.00 3.47 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 31 T 8.77 4.87 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 0.86 0.00 0.00 32 L 8.78 3.70 0.00 0.62 1.40 -0.30 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.58 4.76 0.00 1.50 1.69 0.00 1.80 0.00 0.00 1.91 0.00 0.00 2.58 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.45 7.81 34 G 7.22 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 0.00 0.00 0.00 35 L 8.67 5.20 0.00 1.54 1.50 0.89 0.57 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 36 K 8.69 4.47 0.00 1.79 1.84 0.00 1.17 0.00 0.00 1.46 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.17 1.16 7.81 37 L 8.59 4.65 0.00 1.67 1.59 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 38 I 9.15 4.64 1.99 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 1.04 0.81 0.81 0.00 0.00 39 S 8.49 4.78 0.00 3.82 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 40 V 8.35 3.65 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 1.00 0.00 0.00 1.14 0.00 0.00 41 E 8.55 4.60 0.00 2.03 1.83 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 2.29 2.25 0.00 42 R 8.17 3.78 0.00 1.85 1.95 0.00 3.32 0.00 0.00 3.41 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 43 S 8.08 4.99 0.00 4.06 4.15 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 44 F 8.52 3.89 0.00 3.00 3.06 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 0.00 0.00 0.00 0.00 45 A 8.08 3.98 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 0.00 0.00 0.00 0.00 0.00 46 E 8.16 4.17 0.00 2.31 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 2.43 2.61 0.00 47 K 7.57 3.95 0.00 1.57 1.56 0.00 1.48 0.00 0.00 1.40 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.48 7.81 48 H 7.57 3.94 0.00 2.73 3.27 0.00 5.94 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 7.94 4.79 0.00 3.21 3.18 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 0.00 50 E 8.15 4.10 0.00 2.18 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 2.29 2.27 0.00 51 D 8.17 4.65 0.00 2.79 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 52 L 8.42 4.74 0.00 2.11 1.84 1.22 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 53 S 7.37 2.00 0.00 3.29 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 54 S 7.50 4.31 0.00 3.89 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 55 K 8.12 3.92 0.00 1.09 0.74 0.00 1.38 0.00 0.00 1.48 0.00 0.00 2.89 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.41 1.17 7.81 56 S 8.12 4.31 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 57 F 7.03 4.86 0.00 3.14 3.32 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 58 F 7.91 4.24 0.00 3.18 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 59 S 8.44 4.07 0.00 4.10 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 60 G 7.94 3.60 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 0.00 0.00 0.00 61 L 7.77 3.90 0.00 1.39 0.52 0.93 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 62 V 7.35 3.64 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 1.01 0.00 0.00 0.39 0.00 0.00 63 D 8.35 4.43 0.00 2.84 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 64 Y 8.10 4.29 0.00 3.09 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 65 I 7.93 3.30 2.35 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.00 1.20 0.00 0.00 66 V 7.43 4.14 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 1.02 0.00 0.00 1.09 0.00 0.00 67 S 8.53 3.97 0.00 3.97 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 68 G 6.84 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.75 0.00 2.11 2.17 0.00 3.61 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 2.05 1.98 0.00 70 V 8.79 4.52 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 0.72 0.00 0.00 1.01 0.00 0.00 71 V 8.33 4.78 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 1.03 0.00 0.00 0.92 0.00 0.00 72 A 8.91 4.42 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 73 M 8.41 5.32 0.00 1.74 1.93 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 74 I 8.05 4.89 1.43 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 -0.36 0.77 0.00 0.00 75 W 8.86 5.24 0.00 3.01 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 76 E 10.54 5.12 0.00 2.01 1.78 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 2.19 2.49 0.00 77 G 8.16 4.97 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 0.00 0.00 0.00 78 K 8.60 4.29 0.00 2.08 1.90 0.00 2.00 0.00 0.00 1.73 0.00 0.00 2.75 0.00 0.00 2.32 0.00 0.00 0.00 0.00 1.46 1.50 7.81 79 N 9.17 4.39 0.00 3.05 3.00 0.00 0.00 6.87 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 80 V 7.60 3.14 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 0.78 0.00 0.00 0.15 0.00 0.00 81 V 7.99 3.54 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 1.13 0.00 0.00 1.03 0.00 0.00 82 L 7.89 3.99 0.00 1.81 1.73 0.95 0.75 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 83 T 8.35 4.00 4.47 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 1.34 0.00 0.00 84 G 8.22 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 0.00 0.00 0.00 85 R 8.23 3.98 0.00 2.05 2.01 0.00 3.16 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 86 K 8.21 3.94 0.00 1.76 1.99 0.00 1.79 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.46 7.81 87 I 8.69 3.74 1.62 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.60 0.48 0.00 0.00 88 I 7.84 3.79 2.09 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 1.54 1.04 0.95 0.00 0.00 89 G 8.06 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.05 4.18 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 91 T 8.57 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 1.21 0.00 0.00 92 N 8.00 4.52 0.00 2.71 2.70 0.00 0.00 7.09 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 93 P 0.00 4.72 0.00 2.29 2.14 0.00 3.76 0.00 0.00 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.05 0.00 94 A 8.25 4.15 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 95 A 7.94 4.64 1.24 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 0.00 0.00 96 S 7.82 4.32 0.00 3.91 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 0.00 97 E 8.78 4.33 0.00 2.10 1.82 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 2.35 2.37 0.00 98 P 0.00 4.43 0.00 1.92 1.90 0.00 3.67 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 1.98 2.04 0.00 99 G 9.20 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 0.00 100 T 7.78 4.47 4.44 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 1.24 0.00 0.00 101 I 8.21 3.89 1.95 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 1.64 0.71 1.08 0.00 0.00 102 R 8.24 4.14 0.00 2.02 2.00 0.00 3.44 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.75 0.00 103 G 8.24 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 D 8.15 4.29 0.00 1.93 1.65 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 0.00 105 F 8.18 4.87 0.00 3.10 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 0.00 106 A 8.20 4.84 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 0.00 107 I 8.31 4.31 1.88 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 1.30 0.74 0.91 0.00 0.00 108 D 7.72 4.73 0.00 2.65 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 0.00 109 I 8.45 3.63 1.79 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 1.32 0.61 0.85 0.00 0.00 110 G 8.68 3.71 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 0.00 0.00 0.00 111 R 7.68 4.58 0.00 1.71 1.96 0.00 3.38 0.00 0.00 3.02 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.65 0.00 112 N 8.01 4.56 0.00 2.90 3.18 0.00 0.00 5.75 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 0.00 113 V 8.56 3.63 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 0.88 0.00 0.00 1.06 0.00 0.00 114 I 7.89 5.07 1.91 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.02 0.97 0.00 0.00 115 H 9.61 5.08 0.00 3.31 3.18 0.00 5.79 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 0.00 116 G 8.01 4.37 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 0.00 117 S 8.60 4.67 0.00 3.87 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 0.00 118 D 9.06 4.60 0.00 2.83 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 0.00 119 S 7.91 4.69 0.00 4.09 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 0.00 120 V 8.39 3.64 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 1.10 0.00 0.00 0.95 0.00 0.00 121 E 8.15 3.98 0.00 2.25 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 0.00 2.39 2.40 0.00 122 S 8.02 4.21 0.00 4.10 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 0.00 123 A 7.96 4.08 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 0.00 124 R 8.09 3.94 0.00 1.92 2.04 0.00 3.15 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 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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 0.00 134 G 7.84 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 0.00 0.00 0.00 135 P 0.00 4.71 0.00 2.06 1.98 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 136 V 8.37 4.18 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 0.75 0.00 0.00 0.94 0.00 0.00 137 N 8.73 5.15 0.00 2.70 2.77 0.00 0.00 6.99 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 0.00 138 W 8.30 4.78 0.00 3.51 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 0.00 139 Q 8.64 4.26 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.89 0.00 0.00 0.00 0.00 0.00 2.13 2.24 0.00 140 S 8.11 4.14 0.00 3.50 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 0.00 141 S 8.86 4.33 0.00 4.12 4.10 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 0.00 142 V 7.62 4.39 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 0.77 0.00 0.00 1.01 0.00 0.00 143 H 8.29 4.13 0.00 3.38 3.34 0.00 5.79 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 0.00 144 P 0.00 4.15 0.00 1.58 1.96 0.00 3.86 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.89 0.00 145 W 7.76 4.77 0.00 3.45 3.20 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 0.00 0.00 0.00 146 V 7.62 3.93 1.83 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 0.02 0.00 0.00 0.91 0.00 0.00 147 Y 7.65 4.73 0.00 2.76 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 0.00 148 E 8.68 4.15 0.00 1.94 1.86 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 2.27 2.31 0.00 149 T 8.39 3.65 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 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