NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2788 8.2493 123.5838 51.9010 19.5360 175.6564 2 C 3.8120 7.7313 114.3680 54.5533 42.1634 172.9814 3 D 4.4322 9.6452 123.1428 53.7734 43.4827 176.9092 4 Y 4.7362 7.9893 115.7582 56.2642 39.7790 172.7652 5 T 4.2533 8.0816 119.3436 61.4107 69.9714 175.8557 6 C 4.8157 7.9323 130.2375 55.9229 39.0861 173.5672 7 G 4.2890 8.2479 117.1474 46.0497 0.0000 173.3251 8 S 4.7229 7.5992 111.0728 56.4008 62.8822 171.2549 9 N 4.5924 7.1162 115.6088 54.0551 43.2591 174.9128 10 C 4.9821 6.6660 111.0217 57.3091 44.8620 174.6284 11 Y 4.8693 7.3719 116.8941 54.7677 38.7812 175.9770 12 S 4.7260 8.4975 121.8083 57.8447 63.4461 174.6303 13 S 3.7227 9.1850 116.1635 61.4633 61.8852 176.2062 14 S 4.1782 7.8445 115.6927 60.8703 62.2092 175.2350 15 D 4.5555 9.0406 122.8678 56.7872 40.8381 178.5917 16 V 3.3861 7.8896 118.3118 66.3843 31.3188 177.6855 17 S 4.5034 7.3614 114.0923 61.6550 62.3866 176.0788 18 T 3.8787 7.5660 117.8472 66.9005 68.3238 176.2065 19 A 4.1995 7.8161 121.6335 55.2431 18.4594 179.3499 20 Q 3.2390 8.5126 116.5001 59.2308 28.7550 179.0750 21 A 3.7285 8.5281 122.1897 55.1490 18.3539 179.6122 22 A 3.6821 7.2075 118.1036 55.1102 18.4493 179.9085 23 G 2.6451 6.0235 103.3558 47.9387 0.0000 174.7469 24 Y 4.1175 7.9712 122.6233 59.9963 38.8123 177.5937 25 K 4.5870 8.3048 121.4300 59.6182 32.4009 178.2099 26 L 3.9037 7.9497 120.0908 58.2626 41.9171 178.7335 27 H 4.0314 8.2524 118.3465 59.3193 29.8747 177.1810 28 E 3.8357 9.5699 120.0687 59.0696 28.9795 178.5496 29 D 4.5263 7.8922 117.3076 54.0090 41.2037 177.3048 30 G 3.7304 7.9361 107.3700 46.1352 0.0000 173.1574 31 E 4.6995 8.3995 119.9783 54.9213 31.9175 174.2836 32 T 5.6653 8.1352 109.6919 59.2797 72.4945 173.4066 33 V 4.2607 8.3479 113.5109 60.9306 34.5632 177.0621 34 G 3.7546 9.1712 112.7938 46.4798 0.0000 173.3580 35 S 4.4878 8.3200 113.6270 58.8460 64.3121 174.4862 36 N 4.8699 7.6332 118.7816 52.6443 40.5758 174.0450 37 S 4.9621 8.8490 109.4732 58.8899 63.6133 173.3182 38 Y 4.8245 8.2976 117.8685 57.1823 39.6730 174.8494 39 P 5.4130 0.0000 0.0000 63.5601 33.7003 174.3553 40 H 4.3424 8.4164 112.6274 54.8322 30.7135 173.4194 41 K 4.4208 8.8432 120.8263 57.4383 32.6221 175.5794 42 Y 4.6777 9.1933 122.3427 58.7819 41.2885 176.8859 43 N 3.9097 7.5492 114.7448 53.1821 34.4468 173.4700 44 N 4.1202 8.6329 119.7334 52.9974 38.2108 174.0933 45 Y 5.1591 8.7913 122.1328 59.3344 40.7391 175.8845 46 E 3.8711 8.8440 118.1489 58.1217 30.1460 176.8528 47 G 4.0426 7.2550 107.8791 46.0531 0.0000 174.0091 48 F 4.5599 7.7360 116.1023 56.0471 41.2251 177.7025 49 D 4.6196 8.3947 127.2152 53.0635 39.4282 176.4466 50 F 5.0647 7.8758 118.0667 56.5040 38.5047 177.0728 51 S 4.7029 8.6258 121.6501 58.4432 62.4711 174.4759 52 V 4.5946 8.1734 113.0792 60.4208 35.1273 175.2612 53 S 4.6112 8.4364 116.0179 57.1167 63.2865 174.0674 54 S 3.6783 7.9021 120.9637 56.6346 63.9707 171.6901 55 P 4.1496 0.0000 0.0000 62.8041 32.8344 174.5537 56 Y 5.0696 8.0218 118.3065 57.1147 39.8561 173.9919 57 Y 5.1799 12.0000 122.0958 56.0839 39.8013 174.5609 58 E 4.5976 9.2505 123.3265 55.1097 31.5633 175.1348 59 W 5.4816 10.1041 132.4525 55.1282 34.7516 172.1778 60 P 4.2523 0.0000 0.0000 62.4211 31.9242 175.1946 61 I 4.3356 7.5126 121.7437 59.1870 40.0393 174.8286 62 L 4.3568 8.4481 130.0811 53.6623 42.1301 177.7097 63 S 4.0431 8.8619 118.8878 60.5225 62.4409 174.7412 64 S 4.4123 8.0789 114.2581 59.2236 63.2323 173.9917 65 G 3.8014 8.9659 109.2300 46.9803 0.0000 172.5133 66 D 5.0162 8.0080 119.6725 52.0893 43.9603 175.5044 67 V 4.5028 8.1725 119.9901 61.5834 31.9245 174.9310 68 Y 4.4819 8.8049 128.8870 58.5131 39.4649 176.5945 69 S 4.3917 6.9419 114.0477 55.9428 63.2916 173.2664 70 G 3.6621 5.3800 108.7217 46.1538 0.0000 172.5976 71 G 3.6320 8.6241 106.3764 46.1854 0.0000 174.2305 72 S 4.6023 7.7518 116.3113 55.9795 62.5866 171.9700 73 P 3.7729 0.0000 0.0000 64.6331 31.4113 177.7763 74 G 4.1901 7.5755 104.7286 42.8025 0.0000 172.0707 75 A 4.2038 8.3043 121.5001 55.2081 19.3098 178.0250 76 D 4.8588 8.1283 115.5888 55.0322 42.0427 176.1358 77 R 4.6721 9.0383 121.5509 54.9173 34.5317 174.4067 78 V 4.3448 9.9900 116.0937 59.5535 34.3077 174.9825 79 V 4.2514 7.6203 123.0773 61.4212 34.3959 174.4932 80 F 4.7601 9.9010 120.8734 56.5200 41.0658 171.1510 81 N 4.5126 8.4306 114.4779 51.5714 41.7039 174.0586 82 E 4.8130 8.2511 123.5198 57.0175 29.6489 177.0480 83 N 5.2666 8.4875 115.7586 52.0091 38.9091 174.9253 84 N 3.4144 8.6691 115.0862 52.4403 35.3547 174.0690 85 Q 4.4283 7.8097 118.4460 54.8046 31.0087 174.2173 86 L 4.6982 7.9308 117.5703 54.0784 42.7962 176.4295 87 A 3.4191 12.0000 126.5988 52.5260 19.1176 177.6286 88 G 3.9797 6.1098 103.8145 46.0350 0.0000 175.1432 89 V 4.1969 7.4675 125.2739 61.6175 33.4790 174.0552 90 I 4.9313 8.3994 122.1482 60.6985 39.8273 174.4438 91 T 5.7279 8.8734 115.0750 62.3860 71.0753 173.4381 92 H 4.7254 8.9281 122.4839 56.6825 28.4626 174.3604 93 T 4.2060 8.0181 119.6481 65.0001 67.1584 174.1800 94 G 3.9811 8.4966 119.0434 45.7975 0.0000 172.9312 95 A 3.9776 7.2871 124.2725 53.6193 18.8814 178.5612 96 S 4.5178 7.0998 109.9590 58.9774 62.2250 167.9619 97 G 4.0421 7.4135 109.2839 44.9678 0.0000 174.5239 98 N 4.4158 8.6812 124.8007 52.8382 38.8294 174.4599 99 N 4.4873 7.6174 113.8331 53.0401 38.1904 173.7344 100 F 5.4483 8.2754 117.2966 56.5147 42.5184 175.3547 101 V 4.6925 8.7945 109.6730 60.1330 36.5649 173.1811 102 E 4.5474 9.3730 123.6144 57.5729 29.7380 178.4026 103 C 4.7826 12.0000 122.2284 57.1898 41.1939 174.2065 104 T 4.2237 8.7965 110.1010 62.4738 68.4617 173.9757 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 A 8.25 4.28 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 2 C 7.73 3.81 0.00 3.13 3.14 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 0.00 0.00 0.00 0.00 3 D 9.65 4.43 0.00 2.25 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 0.00 0.00 0.00 4 Y 7.99 4.74 0.00 3.44 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 5 T 8.08 4.25 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 1.21 0.00 0.00 6 C 7.93 4.82 0.00 3.60 3.34 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 7 G 8.25 4.29 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 0.00 8 S 7.60 4.72 0.00 3.92 3.86 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 9 N 7.12 4.59 0.00 2.12 1.42 0.00 0.00 6.96 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 10 C 6.67 4.98 0.00 2.72 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 11 Y 7.37 4.87 0.00 3.01 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 S 8.50 4.73 0.00 4.19 3.88 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 13 S 9.18 3.72 0.00 4.18 4.42 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 14 S 7.84 4.18 0.00 3.92 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 15 D 9.04 4.56 0.00 3.19 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 16 V 7.89 3.39 1.87 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 0.78 0.00 0.00 0.56 0.00 0.00 17 S 7.36 4.50 0.00 3.96 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 18 T 7.57 3.88 4.49 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 1.22 0.00 0.00 19 A 7.82 4.20 1.40 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 0.00 0.00 20 Q 8.51 3.24 0.00 1.84 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.33 0.00 0.00 0.00 0.00 0.00 2.13 2.37 0.00 21 A 8.53 3.73 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 22 A 7.21 3.68 1.10 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 0.00 0.00 23 G 6.02 2.65 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 24 Y 7.97 4.12 0.00 2.81 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 25 K 8.30 4.59 0.00 1.94 1.84 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.35 7.81 26 L 7.95 3.90 0.00 1.68 1.56 0.99 0.98 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 27 H 8.25 4.03 0.00 3.41 3.33 0.00 5.85 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 28 E 9.57 3.84 0.00 1.98 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 1.99 2.49 0.00 29 D 7.89 4.53 0.00 2.82 2.68 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 30 G 7.94 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 0.00 0.00 0.00 31 E 8.40 4.70 0.00 1.80 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 2.25 2.37 0.00 32 T 8.14 5.67 4.38 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 1.29 0.00 0.00 33 V 8.35 4.26 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 1.29 0.00 0.00 1.19 0.00 0.00 34 G 9.17 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 0.00 0.00 0.00 35 S 8.32 4.49 0.00 3.97 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 36 N 7.63 4.87 0.00 2.45 2.87 0.00 0.00 5.29 7.51 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 37 S 8.85 4.96 0.00 4.01 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 38 Y 8.30 4.82 0.00 3.23 3.25 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 39 P 0.00 5.41 0.00 2.30 2.72 0.00 3.57 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 2.13 1.89 0.00 40 H 8.42 4.34 0.00 3.17 3.60 0.00 5.69 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.84 4.42 0.00 1.83 1.83 0.00 1.79 0.00 0.00 1.58 0.00 0.00 2.72 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.64 1.45 7.81 42 Y 9.19 4.68 0.00 2.92 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 43 N 7.55 3.91 0.00 2.58 2.33 0.00 0.00 6.99 7.89 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 44 N 8.63 4.12 0.00 2.79 2.79 0.00 0.00 6.39 7.70 0.00 0.00 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 Y 8.79 5.16 0.00 2.99 2.92 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 46 E 8.84 3.87 0.00 1.93 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 2.64 2.45 0.00 47 G 7.25 4.04 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 0.00 48 F 7.74 4.56 0.00 2.11 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 49 D 8.39 4.62 0.00 2.76 2.69 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 0.00 0.00 0.00 50 F 7.88 5.06 0.00 2.62 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 0.00 0.00 0.00 0.00 51 S 8.63 4.70 0.00 4.03 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 52 V 8.17 4.59 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 0.70 0.00 0.00 1.03 0.00 0.00 53 S 8.44 4.61 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 54 S 7.90 3.68 0.00 3.25 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 55 P 0.00 4.15 0.00 2.17 2.14 0.00 3.48 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.01 0.00 56 Y 8.02 5.07 0.00 3.07 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 57 Y 12.00 5.18 0.00 1.43 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 0.00 0.00 0.00 58 E 9.25 4.60 0.00 1.73 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 2.40 1.69 0.00 59 W 10.10 5.48 0.00 3.58 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 60 P 0.00 4.25 0.00 1.10 1.21 0.00 2.20 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 1.09 0.00 61 I 7.51 4.34 1.56 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.75 0.63 0.00 0.00 62 L 8.45 4.36 0.00 1.89 1.64 1.10 0.82 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 63 S 8.86 4.04 0.00 3.91 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 64 S 8.08 4.41 0.00 3.94 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 65 G 8.97 3.80 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 0.00 0.00 0.00 66 D 8.01 5.02 0.00 2.73 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.17 4.50 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 0.97 0.00 0.00 0.97 0.00 0.00 68 Y 8.80 4.48 0.00 2.43 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 0.00 0.00 0.00 69 S 6.94 4.39 0.00 3.85 3.79 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 70 G 5.38 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 71 G 8.62 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.75 4.60 0.00 3.86 3.79 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 73 P 0.00 3.77 0.00 1.16 0.49 0.00 3.58 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 1.44 0.80 0.00 74 G 7.58 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 75 A 8.30 4.20 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 76 D 8.13 4.86 0.00 2.77 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 77 R 9.04 4.67 0.00 1.18 1.50 0.00 3.18 0.00 0.00 3.05 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.97 0.00 78 V 9.99 4.34 1.89 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 0.48 0.00 0.00 1.06 0.00 0.00 79 V 7.62 4.25 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 0.00 0.00 0.15 0.00 0.00 -0.51 0.00 0.00 80 F 9.90 4.76 0.00 3.21 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 81 N 8.43 4.51 0.00 2.78 2.59 0.00 0.00 7.18 7.65 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 82 E 8.25 4.81 0.00 2.16 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 2.54 0.00 83 N 8.49 5.27 0.00 2.87 2.95 0.00 0.00 6.75 8.04 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 84 N 8.67 3.41 0.00 2.14 2.40 0.00 0.00 5.84 7.29 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 85 Q 7.81 4.43 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.73 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 86 L 7.93 4.70 0.00 1.56 1.49 0.38 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 87 A 12.00 3.42 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 G 6.11 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 89 V 7.47 4.20 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 1.25 0.00 0.00 0.17 0.00 0.00 90 I 8.40 4.93 2.23 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 -0.34 0.69 0.00 0.00 91 T 8.87 5.73 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 1.45 0.00 0.00 92 H 8.93 4.73 0.00 3.28 3.29 0.00 5.71 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 T 8.02 4.21 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 1.27 0.00 0.00 94 G 8.50 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 95 A 7.29 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 96 S 7.10 4.52 0.00 3.85 4.53 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.41 4.04 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 0.00 98 N 8.68 4.42 0.00 2.62 2.72 0.00 0.00 6.51 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 99 N 7.62 4.49 0.00 2.90 2.80 0.00 0.00 5.89 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 0.00 100 F 8.28 5.45 0.00 3.28 3.28 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 0.00 101 V 8.79 4.69 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 0.76 0.00 0.00 1.13 0.00 0.00 102 E 9.37 4.55 0.00 2.20 2.38 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 2.30 2.41 0.00 103 C 12.00 4.78 0.00 3.16 3.51 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 0.00 104 T 8.80 4.22 4.27 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 1.26 0.00 0.00