NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3816 8.3049 120.3473 54.9496 33.4078 174.9764 2 E 3.8854 8.2643 125.6917 54.8237 29.8154 176.0226 3 H 4.7093 8.3428 120.7677 53.9194 28.5738 173.4159 4 V 4.3510 7.6646 124.6636 60.3235 34.5571 175.3707 5 A 4.5267 8.4093 126.5769 50.5889 19.8867 176.2644 6 F 3.1465 8.5853 124.0746 59.4437 39.7207 175.5216 7 G 3.6242 7.6493 115.3171 45.2469 0.0000 173.4237 8 S 4.1614 7.4262 116.6316 57.9948 63.1734 175.4877 9 E 4.0550 8.8109 122.8151 58.6659 29.7672 177.3157 10 D 4.9344 7.7840 118.5950 53.7385 41.9654 177.4737 11 I 3.5527 7.6615 122.6847 64.2141 37.5089 177.5136 12 E 3.9976 8.1255 116.9703 59.2267 29.4622 178.6541 13 N 4.5140 8.0636 117.3318 56.5292 38.7862 177.4133 14 T 3.8446 7.7782 116.5714 66.7254 68.6410 176.3504 15 L 4.1347 8.1165 119.8485 56.7730 41.3945 179.1197 16 A 4.2674 7.6090 120.8547 54.2977 18.3573 178.6429 17 K 4.3092 7.4824 113.7260 56.6244 33.4004 176.3231 18 M 4.4661 7.5321 120.9609 54.1435 33.5398 176.4805 19 D 4.8179 8.3576 123.9759 52.2550 42.4375 176.9085 20 D 4.5746 8.6549 118.6304 56.4754 38.9287 178.7635 21 G 3.5966 7.7690 106.5904 47.9121 0.0000 175.5148 22 Q 4.1482 8.1412 120.2563 58.3030 28.9822 178.1192 23 L 3.9042 8.0892 121.4737 58.1467 41.8707 178.4739 24 D 4.6761 7.8240 117.1103 55.9233 40.8507 177.0244 25 G 3.9347 7.9643 108.6766 45.1474 0.0000 173.7770 26 L 3.9509 7.2672 119.1320 54.0175 42.0840 177.0915 27 A 4.2508 7.9100 122.9995 53.0107 18.9062 176.9020 28 F 5.1133 6.6467 109.6872 54.4469 41.7822 174.7907 29 G 4.4181 9.7382 106.9885 46.1861 0.0000 172.7724 30 A 5.6296 8.7407 123.7713 50.5231 22.7969 174.9992 31 I 4.9340 9.2447 123.6414 59.4411 41.2736 174.2327 32 Q 4.5479 8.8243 127.7491 54.1565 31.2310 174.2647 33 L 5.9018 9.0921 125.7641 52.1848 46.1948 175.9279 34 D 5.1387 7.9106 120.6464 51.2124 41.9424 177.0366 35 G 3.8025 9.0662 106.5602 48.7366 0.0000 173.9792 36 D 4.7103 8.4863 116.8105 54.2861 41.4954 177.0371 37 G 4.2016 8.7744 108.6981 45.3801 0.0000 173.1664 38 N 4.9020 8.7056 117.7701 52.7440 39.4105 174.2841 39 I 4.4905 8.6743 123.9153 61.1560 37.6708 176.3905 40 L 4.3282 9.0258 128.0921 56.1883 42.9727 177.3288 41 Q 4.7161 7.7317 115.4448 54.6020 33.6718 174.3375 42 Y 5.0026 8.4809 123.2359 57.0288 41.2826 173.9673 43 N 5.0680 8.9834 125.4464 51.8451 39.5729 176.2362 44 A 4.0524 9.1248 120.5600 55.4159 18.0723 179.8390 45 A 4.0029 7.9834 118.7329 55.2328 18.4868 179.3358 46 E 4.0455 8.7311 118.1754 59.3136 29.6443 179.2987 47 G 3.8600 8.2098 105.7401 47.7980 0.0000 175.5153 48 D 4.4732 8.2071 120.3210 56.7931 40.8381 178.4656 49 I 4.0725 7.4064 119.9157 64.0484 37.5923 177.7722 50 T 4.4279 8.2578 108.5160 62.2540 69.2431 175.9464 51 G 4.0469 8.4624 109.8998 45.4653 0.0000 174.1339 52 R 4.1576 7.0761 117.6520 55.5310 31.0003 175.5944 53 D 4.4903 8.4278 119.5652 53.3989 41.7478 174.5510 54 P 3.9757 0.0000 0.0000 66.2163 31.1911 178.6444 55 K 3.9835 7.8187 115.8592 59.1764 32.0212 178.7976 56 Q 4.1946 7.9105 116.9111 57.2466 29.2437 177.4107 57 V 4.0379 7.1680 112.0809 60.3309 32.1928 175.8526 58 I 4.0464 7.0573 120.6545 62.2371 37.5257 174.9958 59 G 4.1450 8.8095 113.7262 45.9124 0.0000 174.6733 60 K 4.1046 7.9651 118.5593 55.9229 32.9464 175.5496 61 N 4.9949 9.3439 121.1008 52.2739 39.4990 175.5655 62 F 3.9687 9.3063 129.4361 61.2221 39.5363 177.0974 63 F 3.7527 7.6709 117.2776 59.0333 39.3540 176.7829 64 K 3.9856 7.8704 120.4755 58.7946 31.8051 177.1275 65 D 4.4318 7.1031 117.6813 56.4447 41.5602 178.3424 66 V 3.5959 7.5707 119.8990 65.5974 32.4147 177.2125 67 A 4.1826 7.4676 124.3748 48.7065 18.5158 174.3781 68 P 4.0671 0.0000 0.0000 64.9839 31.8753 179.4654 69 C 3.4673 7.7843 113.0474 60.8526 29.3703 174.7044 70 T 3.8722 7.3351 109.2496 62.5048 68.7669 173.9858 71 D 4.8119 8.4279 123.4192 53.5030 39.7200 174.7004 72 S 4.6658 7.9087 119.1139 56.9633 64.1302 175.7598 73 P 4.2639 0.0000 0.0000 65.0306 31.1409 178.3067 74 E 4.1988 7.7136 115.9831 57.2371 29.5715 175.8011 75 F 4.5204 7.5199 118.8321 59.0457 42.2152 175.7510 76 Y 4.3551 9.0597 120.6531 60.7826 38.8034 178.8875 77 G 3.5178 8.4326 106.8224 47.7678 0.0000 175.8738 78 K 4.0015 7.5910 118.1958 58.9133 32.0141 179.3889 79 F 4.1268 8.4162 121.4234 61.1021 39.4954 177.4398 80 K 3.7738 8.5536 118.9128 59.8270 32.2214 179.0788 81 E 3.9190 8.0463 119.8238 59.1185 29.5389 179.4399 82 G 3.6686 7.8129 105.7605 46.6647 0.0000 175.8895 83 V 3.1423 7.0292 119.2787 65.6802 31.6151 177.7278 84 A 4.0540 7.4122 118.7210 55.1549 18.2447 179.2683 85 S 4.3155 7.9538 112.3238 59.0844 63.1314 175.7374 86 G 3.9967 8.3426 108.4933 45.3777 0.0000 172.7777 87 N 4.9830 7.6218 117.4005 51.7001 42.2416 172.7872 88 L 4.5632 8.2910 126.0611 54.3369 45.8289 173.7045 89 N 5.2398 8.6213 122.7753 53.5101 40.3052 172.7051 90 T 4.9137 9.0286 119.4787 60.2796 71.7706 171.8215 91 M 5.3863 8.7272 125.7727 53.9675 35.2842 173.9521 92 F 5.0683 8.5073 119.4580 56.0074 41.8224 173.2084 93 E 4.9242 8.9034 119.2189 56.4286 31.2353 174.5149 94 Y 4.9209 8.6734 121.6916 57.5479 43.4517 173.0465 95 T 5.1758 7.5775 117.1844 61.7587 71.6960 173.9166 96 F 4.9676 9.2497 126.7272 56.3569 40.2841 176.5925 97 D 4.8524 8.6770 123.4741 53.2297 40.2101 174.1876 98 Y 4.4267 8.2744 121.8433 57.8522 39.0250 175.1766 99 Q 3.2863 8.6214 124.6913 56.4292 26.4566 172.8146 100 M 4.8620 7.3644 113.2956 53.4659 34.4912 174.7889 101 T 3.9219 8.3704 116.4354 62.7714 68.9372 172.4235 102 P 4.4980 0.0000 0.0000 63.8049 32.1423 175.6569 103 T 4.6149 9.1737 121.6030 61.4108 72.0119 173.1496 104 K 4.7131 8.6207 127.9247 56.0262 33.7149 175.8657 105 V 4.6190 8.5722 119.5910 59.3694 36.7787 174.0927 106 K 4.7981 9.0042 123.2040 54.7223 34.4909 174.8193 107 V 4.9995 8.7564 127.6103 61.3609 34.6130 173.7558 108 H 5.3087 9.1643 126.1261 54.8459 32.7737 171.6569 109 M 5.1482 8.9996 126.0674 53.6865 34.4756 175.1798 110 K 5.1545 8.9895 123.4010 54.7066 36.4286 174.8846 111 K 4.3569 8.7281 128.6201 56.3962 32.5994 176.5896 112 A 4.5391 8.0898 129.0924 51.5164 18.6807 177.5440 113 L 3.9475 8.7603 121.0899 57.8810 42.4102 177.5282 114 S 4.3050 7.8615 112.1221 57.2157 62.8022 172.9783 115 G 3.4970 8.1091 111.6896 47.1243 0.0000 173.8919 116 D 5.0413 8.0352 119.4534 52.7615 40.5376 176.0832 117 S 4.9252 7.0955 112.9820 56.8996 67.5798 174.1961 118 Y 5.1149 9.1163 118.0983 56.3134 42.4679 174.2494 119 W 5.0543 9.7063 123.7934 55.3377 31.8277 175.6928 120 V 4.4960 8.5483 122.8516 61.3001 34.0686 174.0040 121 F 5.7749 9.1029 127.9224 55.8755 41.3140 175.0706 122 V 5.2760 8.9495 123.7397 61.2291 34.7284 174.3141 123 K 4.8228 8.3465 123.6879 55.4494 36.1588 174.9668 124 R 4.3409 8.3594 122.0013 56.0047 31.1594 176.6805 125 V 3.9552 7.8234 117.8203 61.5773 32.2659 175.5384 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 4.38 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.54 0.00 2 E 8.26 3.89 0.00 1.90 1.77 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 2.30 2.39 0.00 3 H 8.34 4.71 0.00 3.26 3.31 0.00 5.48 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 4 V 7.66 4.35 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 0.68 0.00 0.00 0.87 0.00 0.00 5 A 8.41 4.53 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 6 F 8.59 3.15 0.00 2.57 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 7 G 7.65 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 S 7.43 4.16 0.00 3.75 3.72 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 9 E 8.81 4.06 0.00 2.06 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 2.31 0.00 10 D 7.78 4.93 0.00 2.65 2.63 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 11 I 7.66 3.55 1.71 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.28 0.80 0.00 0.00 12 E 8.13 4.00 0.00 2.34 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 2.33 2.41 0.00 13 N 8.06 4.51 0.00 3.06 2.89 0.00 0.00 6.87 6.43 0.00 0.00 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 T 7.78 3.84 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 1.13 0.00 0.00 15 L 8.12 4.13 0.00 1.40 1.36 -0.03 0.38 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 16 A 7.61 4.27 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.48 4.31 0.00 1.98 1.94 0.00 1.58 0.00 0.00 1.69 0.00 0.00 3.13 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.63 1.47 7.81 18 M 7.53 4.47 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.59 0.00 19 D 8.36 4.82 0.00 2.90 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 20 D 8.65 4.57 0.00 2.95 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 21 G 7.77 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 22 Q 8.14 4.15 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.83 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 23 L 8.09 3.90 0.00 2.05 1.74 0.98 1.42 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 24 D 7.82 4.68 0.00 2.92 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 25 G 7.96 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 26 L 7.27 3.95 0.00 1.34 0.56 0.45 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.91 4.25 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 28 F 6.65 5.11 0.00 3.36 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 29 G 9.74 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 0.00 0.00 0.00 30 A 8.74 5.63 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 31 I 9.24 4.93 1.55 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.54 0.66 0.00 0.00 32 Q 8.82 4.55 0.00 1.40 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.68 0.00 0.00 0.00 0.00 0.00 1.66 1.16 0.00 33 L 9.09 5.90 0.00 1.68 1.59 0.78 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 34 D 7.91 5.14 0.00 2.86 2.87 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 0.00 0.00 0.00 0.00 35 G 9.07 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 36 D 8.49 4.71 0.00 2.77 2.81 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 37 G 8.77 4.20 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 0.00 0.00 0.00 38 N 8.71 4.90 0.00 3.15 2.76 0.00 0.00 7.01 8.03 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 39 I 8.67 4.49 2.04 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 1.23 0.83 1.09 0.00 0.00 40 L 9.03 4.33 0.00 1.38 1.66 0.84 0.87 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 41 Q 7.73 4.72 0.00 1.97 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 42 Y 8.48 5.00 0.00 2.92 2.73 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 43 N 8.98 5.07 0.00 3.06 3.02 0.00 0.00 6.48 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 44 A 9.12 4.05 1.37 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 45 A 7.98 4.00 1.36 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 0.00 0.00 46 E 8.73 4.05 0.00 2.21 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 0.00 1.53 1.72 0.00 47 G 8.21 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 0.00 0.00 0.00 48 D 8.21 4.47 0.00 2.87 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 49 I 7.41 4.07 2.10 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.71 0.93 0.00 0.00 50 T 8.26 4.43 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 1.63 0.00 0.00 51 G 8.46 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 52 R 7.08 4.16 0.00 1.71 1.81 0.00 3.25 0.00 0.00 3.39 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.61 0.00 53 D 8.43 4.49 0.00 2.66 2.50 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 54 P 0.00 3.98 0.00 2.23 2.47 0.00 3.68 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.41 0.00 55 K 7.82 3.98 0.00 1.76 1.87 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.63 7.81 56 Q 7.91 4.19 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 57 V 7.17 4.04 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 0.64 0.00 0.00 0.04 0.00 0.00 58 I 7.06 4.05 1.85 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 1.38 0.60 0.98 0.00 0.00 59 G 8.81 4.14 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 0.00 0.00 0.00 60 K 7.97 4.10 0.00 1.91 1.69 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.46 7.81 61 N 9.34 4.99 0.00 2.67 2.79 0.00 0.00 7.01 7.75 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 62 F 9.31 3.97 0.00 2.64 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 63 F 7.67 3.75 0.00 2.50 2.29 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 64 K 7.87 3.99 0.00 1.63 1.75 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.35 7.81 65 D 7.10 4.43 0.00 2.73 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.57 3.60 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 0.82 0.00 0.00 0.89 0.00 0.00 67 A 7.47 4.18 0.03 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 0.00 0.00 68 P 0.00 4.07 0.00 1.86 1.92 0.00 3.12 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.71 0.00 69 C 7.78 3.47 0.00 3.23 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 70 T 7.34 3.87 3.08 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 0.23 0.00 0.00 71 D 8.43 4.81 0.00 2.67 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 72 S 7.91 4.67 0.00 4.10 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 73 P 0.00 4.26 0.00 2.22 2.12 0.00 3.64 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 2.12 2.10 0.00 74 E 7.71 4.20 0.00 2.31 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 2.35 2.33 0.00 75 F 7.52 4.52 0.00 2.77 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 76 Y 9.06 4.36 0.00 3.12 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 77 G 8.43 3.52 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 0.00 0.00 0.00 0.00 78 K 7.59 4.00 0.00 1.87 1.81 0.00 1.10 0.00 0.00 1.19 0.00 0.00 2.68 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.33 1.45 7.81 79 F 8.42 4.13 0.00 3.39 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 80 K 8.55 3.77 0.00 1.75 1.68 0.00 1.07 0.00 0.00 1.38 0.00 0.00 2.82 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.00 1.49 7.81 81 E 8.05 3.92 0.00 2.13 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 0.00 2.24 2.34 0.00 82 G 7.81 3.67 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 0.00 0.00 0.00 83 V 7.03 3.14 1.77 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 0.64 0.00 0.00 -0.53 0.00 0.00 84 A 7.41 4.05 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 85 S 7.95 4.32 0.00 3.84 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 86 G 8.34 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 87 N 7.62 4.98 0.00 2.76 2.61 0.00 0.00 6.54 6.66 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 88 L 8.29 4.56 0.00 1.80 1.61 1.01 0.57 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 89 N 8.62 5.24 0.00 2.77 2.72 0.00 0.00 6.86 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 90 T 9.03 4.91 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 1.43 0.00 0.00 91 M 8.73 5.39 0.00 2.05 1.84 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.57 0.00 92 F 8.51 5.07 0.00 3.21 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 93 E 8.90 4.92 0.00 1.99 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 2.30 2.37 0.00 94 Y 8.67 4.92 0.00 3.46 3.24 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 95 T 7.58 5.18 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 1.26 0.00 0.00 96 F 9.25 4.97 0.00 3.05 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 97 D 8.68 4.85 0.00 2.78 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 98 Y 8.27 4.43 0.00 2.95 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 99 Q 8.62 3.29 0.00 1.89 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.57 0.00 0.00 0.00 0.00 0.00 1.69 1.16 0.00 100 M 7.36 4.86 0.00 2.24 2.04 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.74 0.00 101 T 8.37 3.92 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 1.23 0.00 0.00 102 P 0.00 4.50 0.00 1.95 2.08 0.00 3.63 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.19 0.00 103 T 9.17 4.61 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 1.16 0.00 0.00 104 K 8.62 4.71 0.00 1.83 1.65 0.00 1.66 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.48 7.81 105 V 8.57 4.62 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 0.19 0.00 0.00 0.36 0.00 0.00 106 K 9.00 4.80 0.00 1.60 1.30 0.00 1.51 0.00 0.00 1.38 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.35 7.81 107 V 8.76 5.00 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 0.32 0.00 0.00 1.21 0.00 0.00 108 H 9.16 5.31 0.00 2.89 2.89 0.00 5.62 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 M 9.00 5.15 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 110 K 8.99 5.15 0.00 1.70 1.69 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.64 7.81 111 K 8.73 4.36 0.00 1.93 1.72 0.00 2.00 0.00 0.00 1.68 0.00 0.00 2.67 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.19 0.84 7.81 112 A 8.09 4.54 1.06 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 0.00 0.00 113 L 8.76 3.95 0.00 1.85 1.77 1.02 0.92 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 0.00 114 S 7.86 4.31 0.00 3.85 3.67 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 0.00 115 G 8.11 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 0.00 116 D 8.04 5.04 0.00 2.61 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 0.00 117 S 7.10 4.93 0.00 3.58 3.72 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 0.00 118 Y 9.12 5.11 0.00 3.15 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 0.00 119 W 9.71 5.05 0.00 2.86 1.74 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 0.00 120 V 8.55 4.50 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 1.00 0.00 0.00 0.89 0.00 0.00 121 F 9.10 5.77 0.00 2.67 2.59 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 0.00 122 V 8.95 5.28 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 0.93 0.00 0.00 1.24 0.00 0.00 123 K 8.35 4.82 0.00 1.58 1.20 0.00 0.83 0.00 0.00 0.61 0.00 0.00 2.29 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.46 0.98 7.81 124 R 8.36 4.34 0.00 1.78 1.79 0.00 3.14 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 125 V 7.82 3.96 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 0.61 0.00 0.00 0.90 0.00 0.00