NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3280 8.3031 124.0223 55.0781 33.0186 175.0995 3 G 3.7432 8.6423 114.4747 43.2735 0.0000 170.3737 4 D 4.4752 8.6427 120.5158 53.8583 42.3866 175.5390 5 K 3.9251 8.9283 126.3939 59.6078 32.1039 178.9891 6 K 3.9757 8.0757 118.3253 58.8708 32.1646 179.0926 7 V 3.5330 7.9977 118.6547 66.2733 31.3677 178.1859 8 I 3.7336 7.7626 119.2905 64.3810 36.8538 178.2619 9 Q 3.9415 8.0081 120.2451 59.3321 28.7974 177.9535 10 H 4.0805 8.4263 117.4940 58.8350 28.7149 177.5418 11 L 3.9852 8.4222 120.9832 58.1634 41.4457 179.3406 12 N 4.2948 8.5189 116.5437 56.2684 38.4499 177.3916 13 K 3.9169 8.1938 120.9823 59.5915 32.3468 178.9724 14 I 3.7219 8.1473 120.5392 64.1477 36.9524 178.0538 15 L 4.0450 8.3712 121.7673 58.1732 42.0375 179.1476 16 G 3.6938 8.2872 105.7189 48.1251 0.0000 175.3434 17 N 4.3891 8.0809 118.7512 56.0355 38.0096 177.4008 18 E 3.9674 8.2012 120.0527 59.4148 29.1501 179.4467 19 L 4.0296 8.1234 119.1058 57.5178 41.5939 179.5381 20 I 3.6276 7.6127 119.2672 64.4065 37.1000 178.3651 21 A 3.3917 7.7519 121.4545 54.6805 18.0715 179.5598 22 I 3.5774 7.9536 118.8143 64.8768 37.2613 178.4389 23 N 4.4185 7.7350 116.5992 56.1292 38.3858 177.4442 24 Q 3.8763 8.3002 121.4700 59.4979 29.0983 177.9678 25 Y 4.7638 7.9009 119.1012 60.3017 37.8074 178.0412 26 F 3.9799 8.4083 121.8958 61.0758 39.4790 176.9250 27 L 3.9421 8.0980 119.9407 58.6738 41.9032 178.6426 28 H 3.8365 8.2248 116.0562 58.6569 28.4606 177.8520 29 S 4.3350 8.3050 115.2770 61.6768 62.2597 176.5389 30 R 3.8056 7.9297 120.7530 59.2160 29.6642 179.0952 31 M 3.5103 7.8884 119.0219 57.8952 31.7539 178.7595 32 W 4.4607 7.8954 119.1350 59.7524 29.1284 178.3393 33 N 4.3610 8.4225 116.5746 56.5212 37.8308 176.9580 34 D 4.3555 8.0714 118.2543 56.8583 41.3137 177.4117 35 W 4.8883 7.8817 116.8761 56.4648 29.2455 176.9263 36 G 3.9753 8.3133 107.5301 46.7042 0.0000 175.9042 37 L 4.6008 8.1656 122.3050 53.4494 38.4729 177.3328 38 K 4.0599 8.5608 121.9722 58.9356 32.5325 179.2337 39 R 3.8246 7.8231 118.8639 59.3873 29.9848 178.3738 40 L 3.7908 7.8497 118.4540 57.6275 41.4591 179.6564 41 G 3.7348 8.2040 105.3231 47.8790 0.0000 175.6433 42 A 4.0424 8.6268 124.0403 54.9796 18.4046 179.1444 43 H 3.8892 8.2416 116.8173 59.4224 29.5764 177.1491 44 E 4.0013 8.5956 121.3531 59.2137 29.4910 177.9824 45 Y 4.0971 8.2650 119.8189 60.9995 38.7706 177.6829 46 H 3.9957 8.3886 118.9396 59.3565 29.9577 176.9108 47 E 3.8400 8.2238 120.3066 59.4540 29.2655 179.3492 48 S 4.2450 8.1625 113.0390 61.5799 62.5233 176.2527 49 I 3.5822 7.6038 122.4124 64.3582 36.7800 178.0280 50 D 4.2441 8.1224 119.7858 57.5927 40.6005 178.8990 51 E 4.1649 7.9943 120.1783 59.0262 29.4162 179.2860 52 M 4.0139 8.0273 118.8957 58.2932 31.9647 178.9521 53 K 4.0275 7.9100 118.6764 59.3832 32.2536 178.9713 54 H 4.1616 8.1816 116.3892 59.0027 28.7174 177.4234 55 A 3.9988 8.2193 122.4805 55.2684 18.2172 178.9293 56 D 4.2921 8.1490 116.3511 57.7013 41.2162 178.8730 57 K 4.0129 8.0389 118.7061 59.2589 32.0085 179.1559 58 L 3.9873 8.0016 119.3081 58.0019 41.6883 179.6844 59 I 3.6860 7.8421 119.3259 64.4758 37.0657 178.2198 60 E 3.9813 8.1952 119.2863 59.5788 29.3347 179.5664 61 R 4.0060 8.2317 118.6309 59.5589 30.1219 178.5748 62 I 3.7737 8.2969 120.0799 64.3177 37.0399 178.4929 63 L 4.0238 7.9669 119.7152 57.5350 41.3157 178.8822 64 F 4.3128 8.1803 119.6549 61.5220 39.4734 176.5117 65 L 3.9677 7.9238 115.9113 54.1716 41.0023 177.1677 66 E 3.8075 7.6783 117.0131 57.3389 27.3075 174.7716 67 G 3.8878 8.1505 108.9791 44.2507 0.0000 173.6437 68 L 4.5212 8.0048 119.1284 52.0607 42.1166 175.1726 69 P 4.3651 0.0000 0.0000 62.4583 31.7922 176.2070 70 N 4.6557 9.2851 122.4566 52.4934 38.1322 174.2152 71 L 4.5869 8.2185 123.7585 54.4264 42.6439 177.5193 72 Q 4.1151 8.2852 121.0952 57.6827 29.3888 175.5750 73 D 4.6824 8.0869 117.4536 52.5076 42.0166 175.4575 74 L 4.5141 8.2669 125.4040 52.7505 43.5924 176.5439 75 G 3.8276 8.3165 117.0331 44.9828 0.0000 170.5031 76 K 4.2252 8.3493 120.7369 55.3020 32.9036 177.3484 77 L 4.0912 8.3842 126.5676 54.6640 42.1776 177.1017 78 L 4.4431 8.5940 124.0800 53.3776 40.8147 175.0535 79 I 4.3445 8.0618 123.8443 59.4694 38.4963 176.4790 80 G 4.0731 8.6659 114.5883 44.3895 0.0000 172.6640 81 E 4.6571 8.7240 115.7900 55.8503 31.3433 175.6911 82 N 5.1376 7.7181 116.5653 50.3371 42.0262 174.9934 83 T 4.3593 8.4713 110.2539 65.0419 69.0055 175.9897 84 Q 3.9441 8.2131 122.0324 59.0669 28.9826 178.0440 85 E 3.9667 8.7930 120.3038 59.5840 29.6121 178.6739 86 M 3.9504 8.3166 118.8517 58.3612 31.8946 178.6785 87 L 4.1367 8.2626 119.1618 57.9677 41.7119 179.4638 88 Q 3.9811 8.0916 119.0400 59.1315 28.9293 177.8466 89 C 4.1832 8.5430 118.2631 63.0514 28.2470 175.7988 90 D 4.6596 8.6071 120.7708 57.3926 40.4415 178.6394 91 L 4.0346 8.2441 120.8939 58.3095 42.1433 178.7497 92 N 4.3814 8.6080 116.8160 56.2802 38.5006 177.1012 93 L 4.0300 8.2916 121.8293 58.2452 42.1107 178.9408 94 E 4.1112 8.5308 118.5706 59.4703 29.4232 179.3370 95 L 4.0481 8.1402 119.0881 57.5687 41.6289 179.4754 96 K 3.9534 8.0455 119.0464 59.4191 32.1248 178.8225 97 A 4.1958 8.0921 121.1134 55.4875 18.3272 179.7368 98 T 3.8466 8.3488 114.7447 66.4896 68.3365 176.8900 99 K 3.9320 7.9879 121.5264 59.6802 32.2368 178.4399 100 D 4.4233 8.0628 119.1950 57.5394 40.7555 178.9441 101 L 3.9844 8.1027 119.2121 57.9819 41.6459 179.7885 102 R 3.9538 8.0329 117.8558 59.3836 30.0400 179.0639 103 E 3.9777 8.0960 118.1720 59.2765 29.4944 179.1577 104 A 3.6108 8.2969 121.1465 55.1414 18.3793 179.8196 105 I 3.6950 7.9034 118.3733 64.2429 37.1485 178.5725 106 V 3.5562 7.7497 119.2764 66.3229 31.2621 177.6303 107 H 3.9419 8.0451 117.4610 59.4605 29.7225 176.6126 108 C 3.8396 7.9482 118.6214 63.0549 28.0254 175.8512 109 E 3.8399 8.0596 120.3756 59.5837 28.9906 178.7940 110 Q 3.9726 7.7550 117.9456 58.2997 29.0852 177.3437 111 V 4.0003 7.4153 111.1977 60.3711 31.8797 175.3954 112 H 3.0101 7.3104 114.0251 56.9173 26.7929 176.1566 113 D 4.5331 7.6076 120.9849 53.5534 38.7784 175.3638 114 Y 4.3217 7.6773 121.9101 60.0217 38.3505 177.4435 115 V 3.6327 7.8195 119.1337 66.1527 31.8273 177.8999 116 S 4.1339 8.2474 114.7866 61.6781 62.5928 176.7563 117 R 3.8878 8.0416 121.1977 59.5192 29.8405 178.1574 118 D 4.3769 8.5123 119.0605 57.3466 40.8815 178.4639 119 L 3.9251 8.0808 120.7271 58.4377 42.0934 179.1727 120 L 4.0172 7.9641 118.7436 57.5816 41.5449 179.3978 121 K 3.9938 8.5059 120.1258 59.4340 31.9364 178.7515 122 D 4.3376 8.1354 119.3407 57.4385 40.7341 178.6485 123 I 3.5027 7.7461 120.3009 64.2852 36.9649 178.2880 124 L 3.9427 7.9336 121.2017 57.9045 41.9070 178.4512 125 E 3.9057 8.2742 119.4398 59.3846 29.5204 178.8782 126 S 4.0864 7.8074 113.0645 61.3568 62.4449 175.9720 127 E 4.0964 8.4400 121.5522 59.4569 29.1966 179.1962 128 E 4.1257 8.5103 118.7883 59.2622 29.3651 179.2453 129 E 4.0633 8.2678 118.9678 59.5333 29.4713 178.9036 130 H 4.3645 8.3852 116.2974 59.1459 28.8594 177.8410 131 I 3.7701 8.2787 121.8778 64.4707 36.9609 177.9608 132 D 4.3491 8.3047 118.8393 57.3971 41.0390 177.6447 133 Y 4.0625 8.4536 120.3314 60.7393 38.8009 178.0781 134 L 3.6203 8.0704 119.7852 57.8919 41.6820 179.5071 135 E 3.9128 8.2469 118.3776 59.5773 29.2410 179.6281 136 T 3.8229 7.8508 115.9569 66.5588 68.4911 176.9193 137 Q 3.7997 7.7308 119.9812 58.6791 28.5285 178.3654 138 L 3.8774 7.8364 120.2784 57.9631 41.8073 179.9765 139 G 3.5670 8.2007 105.5257 47.7936 0.0000 175.7479 140 L 4.0866 8.0146 121.3792 57.3915 41.5942 179.5578 141 I 3.5564 7.5127 119.9444 64.5602 36.8059 178.5038 142 Q 4.0163 7.5061 117.4012 58.5787 28.5117 178.5815 143 K 4.1761 7.6335 118.3039 58.5893 32.5183 178.8324 144 V 4.1720 8.2422 110.3941 60.0495 33.0778 177.1672 145 G 3.9971 7.7945 106.1302 45.4871 0.0000 174.2619 146 L 3.9400 8.6452 123.3357 58.0882 42.1520 179.4179 147 E 3.9586 8.1169 117.8249 59.5131 29.4789 178.7575 148 N 4.2809 8.2005 115.9639 56.6850 38.4350 176.5898 149 Y 3.9427 8.0132 119.4516 60.6607 39.0691 177.8960 150 L 4.1768 8.3982 120.2069 57.7375 41.3281 178.9713 151 Q 3.9212 8.6280 119.8603 59.4622 28.7712 178.4335 152 S 4.2506 7.9849 113.4161 60.0634 63.1631 174.4309 153 H 4.6324 7.8659 118.6215 55.5617 29.2442 175.5970 154 M 4.1629 7.3814 120.3246 57.8620 32.1546 175.4125 155 H 5.0773 7.4875 116.0215 54.3069 30.5673 175.4229 156 E 4.1285 8.7058 121.8330 56.7719 29.2801 176.8183 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 2 K 8.30 4.33 0.00 1.56 1.72 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.03 7.81 3 G 8.64 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 4 D 8.64 4.48 0.00 2.80 2.53 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 5 K 8.93 3.93 0.00 1.93 1.78 0.00 1.88 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.51 1.11 7.81 6 K 8.08 3.98 0.00 1.79 1.69 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.48 7.81 7 V 8.00 3.53 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 0.87 0.00 0.00 0.94 0.00 0.00 8 I 7.76 3.73 2.01 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.55 0.89 0.00 0.00 9 Q 8.01 3.94 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 10 H 8.43 4.08 0.00 3.42 3.29 0.00 5.69 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 11 L 8.42 3.99 0.00 1.79 1.74 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.52 4.29 0.00 2.90 2.86 0.00 0.00 6.73 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 13 K 8.19 3.92 0.00 1.86 1.96 0.00 1.61 0.00 0.00 1.63 0.00 0.00 3.28 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.47 7.81 14 I 8.15 3.72 2.00 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 1.42 0.76 0.92 0.00 0.00 15 L 8.37 4.05 0.00 1.81 1.79 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.29 3.69 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 0.00 0.00 0.00 17 N 8.08 4.39 0.00 2.99 2.88 0.00 0.00 7.05 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 18 E 8.20 3.97 0.00 2.13 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 0.00 2.58 2.52 0.00 19 L 8.12 4.03 0.00 1.65 1.67 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.61 3.63 1.93 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.68 0.87 0.00 0.00 21 A 7.75 3.39 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.95 3.58 1.93 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.81 0.86 0.00 0.00 23 N 7.74 4.42 0.00 2.76 2.83 0.00 0.00 6.74 7.25 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 24 Q 8.30 3.88 0.00 1.98 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.61 2.26 0.00 25 Y 7.90 4.76 0.00 3.07 2.97 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 26 F 8.41 3.98 0.00 3.33 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 27 L 8.10 3.94 0.00 1.84 1.60 0.89 0.92 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 28 H 8.22 3.84 0.00 3.41 2.85 0.00 5.69 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 29 S 8.31 4.33 0.00 3.94 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 30 R 7.93 3.81 0.00 1.80 1.86 0.00 2.89 0.00 0.00 2.36 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 31 M 7.89 3.51 0.00 0.91 1.55 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.19 0.00 32 W 7.90 4.46 0.00 3.70 3.31 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 33 N 8.42 4.36 0.00 2.87 2.85 0.00 0.00 6.65 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 34 D 8.07 4.36 0.00 2.52 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 35 W 7.88 4.89 0.00 3.73 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 36 G 8.31 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 37 L 8.17 4.60 0.00 2.08 1.65 1.31 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.56 4.06 0.00 1.83 1.86 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.63 7.81 39 R 7.82 3.82 0.00 1.99 1.93 0.00 3.29 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 40 L 7.85 3.79 0.00 1.36 0.25 0.45 0.17 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 41 G 8.20 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 42 A 8.63 4.04 1.33 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 0.00 0.00 0.00 43 H 8.24 3.89 0.00 3.27 3.19 0.00 5.59 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.60 4.00 0.00 2.55 2.34 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 2.75 2.67 0.00 45 Y 8.26 4.10 0.00 3.12 3.19 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 46 H 8.39 4.00 0.00 3.29 3.35 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 47 E 8.22 3.84 0.00 2.05 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 2.42 2.24 0.00 48 S 8.16 4.25 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 49 I 7.60 3.58 1.77 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.23 0.80 0.00 0.00 50 D 8.12 4.24 0.00 2.90 2.66 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 51 E 7.99 4.16 0.00 2.07 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 2.75 2.32 0.00 52 M 8.03 4.01 0.00 2.02 2.22 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.52 0.00 53 K 7.91 4.03 0.00 1.93 1.84 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.57 7.81 54 H 8.18 4.16 0.00 3.50 3.43 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.22 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 56 D 8.15 4.29 0.00 2.93 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 57 K 8.04 4.01 0.00 1.88 1.85 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.49 7.81 58 L 8.00 3.99 0.00 1.86 1.74 0.96 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.84 3.69 2.04 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 1.15 0.92 0.00 0.00 60 E 8.20 3.98 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 2.34 2.54 0.00 61 R 8.23 4.01 0.00 2.04 2.11 0.00 3.31 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 1.68 1.80 0.00 62 I 8.30 3.77 2.01 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 1.53 0.58 0.94 0.00 0.00 63 L 7.97 4.02 0.00 2.06 1.77 0.97 0.97 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 64 F 8.18 4.31 0.00 2.94 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 65 L 7.92 3.97 0.00 1.86 1.58 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.68 3.81 0.00 2.01 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 2.18 2.23 0.00 67 G 8.15 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 68 L 8.00 4.52 0.00 1.61 1.62 0.91 0.99 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 69 P 0.00 4.37 0.00 2.03 1.98 0.00 3.66 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 70 N 9.29 4.66 0.00 2.61 2.82 0.00 0.00 7.08 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 71 L 8.22 4.59 0.00 1.61 1.63 0.91 0.94 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 72 Q 8.29 4.12 0.00 1.99 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.65 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 73 D 8.09 4.68 0.00 2.68 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.27 4.51 0.00 1.50 1.52 0.88 1.05 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 75 G 8.32 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 76 K 8.35 4.23 0.00 1.70 1.72 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.51 7.81 77 L 8.38 4.09 0.00 1.63 1.55 0.88 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.59 4.44 0.00 1.79 1.68 1.03 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 79 I 8.06 4.34 1.88 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.79 0.91 0.00 0.00 80 G 8.67 4.07 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 0.00 0.00 0.00 81 E 8.72 4.66 0.00 2.15 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 0.00 2.69 2.23 0.00 82 N 7.72 5.14 0.00 2.90 2.85 0.00 0.00 6.03 7.22 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 83 T 8.47 4.36 5.30 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 1.76 0.00 0.00 84 Q 8.21 3.94 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.94 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 85 E 8.79 3.97 0.00 2.36 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 2.33 2.37 0.00 86 M 8.32 3.95 0.00 1.30 1.91 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.14 0.00 87 L 8.26 4.14 0.00 1.88 1.71 0.85 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.09 3.98 0.00 2.30 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 89 C 8.54 4.18 0.00 3.29 3.19 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 90 D 8.61 4.66 0.00 2.75 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 91 L 8.24 4.03 0.00 1.89 1.94 0.96 0.61 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 92 N 8.61 4.38 0.00 2.95 2.89 0.00 0.00 6.69 6.34 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 93 L 8.29 4.03 0.00 1.96 1.97 0.92 0.91 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 94 E 8.53 4.11 0.00 2.29 2.09 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 2.75 2.65 0.00 95 L 8.14 4.05 0.00 1.74 1.75 0.95 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.05 3.95 0.00 1.90 2.10 0.00 1.54 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.52 7.81 97 A 8.09 4.20 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.35 3.85 4.59 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 1.28 0.00 0.00 99 K 7.99 3.93 0.00 1.97 1.98 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.49 7.81 100 D 8.06 4.42 0.00 2.91 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 0.00 101 L 8.10 3.98 0.00 1.98 1.73 0.92 0.86 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 0.00 102 R 8.03 3.95 0.00 2.02 1.99 0.00 3.14 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 103 E 8.10 3.98 0.00 2.13 2.06 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 2.35 2.46 0.00 104 A 8.30 3.61 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 0.00 105 I 7.90 3.69 1.99 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 1.41 0.66 0.93 0.00 0.00 106 V 7.75 3.56 2.25 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 0.97 0.00 0.00 0.96 0.00 0.00 107 H 8.05 3.94 0.00 3.32 3.24 0.00 5.87 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 0.00 108 C 7.95 3.84 0.00 3.13 3.19 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 0.00 109 E 8.06 3.84 0.00 2.21 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 2.37 2.44 0.00 110 Q 7.75 3.97 0.00 2.03 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.94 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 111 V 7.42 4.00 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 0.79 0.00 0.00 0.97 0.00 0.00 112 H 7.31 3.01 0.00 3.21 3.25 0.00 5.64 0.00 0.00 0.00 0.00 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.61 4.53 0.00 2.59 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.68 4.32 0.00 3.10 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 0.00 115 V 7.82 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 1.16 0.00 0.00 1.00 0.00 0.00 116 S 8.25 4.13 0.00 4.24 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 0.00 117 R 8.04 3.89 0.00 1.92 2.20 0.00 3.23 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 118 D 8.51 4.38 0.00 3.06 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 0.00 119 L 8.08 3.93 0.00 1.86 1.88 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 120 L 7.96 4.02 0.00 1.89 1.69 0.91 0.75 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 0.00 121 K 8.51 3.99 0.00 1.97 2.03 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.35 7.81 122 D 8.14 4.34 0.00 2.90 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 0.00 123 I 7.75 3.50 1.91 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 1.11 0.65 0.73 0.00 0.00 124 L 7.93 3.94 0.00 1.82 1.88 0.93 0.64 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 0.00 125 E 8.27 3.91 0.00 2.09 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 0.00 2.32 2.33 0.00 126 S 7.81 4.09 0.00 3.90 4.07 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 0.00 127 E 8.44 4.10 0.00 2.05 2.26 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 2.54 2.53 0.00 128 E 8.51 4.13 0.00 2.15 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 2.36 2.56 0.00 129 E 8.27 4.06 0.00 2.22 2.06 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 2.37 2.38 0.00 130 H 8.39 4.36 0.00 3.60 3.44 0.00 5.64 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 0.00 131 I 8.28 3.77 2.08 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 1.48 1.07 0.95 0.00 0.00 132 D 8.30 4.35 0.00 2.96 2.89 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 0.00 133 Y 8.45 4.06 0.00 3.13 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 0.00 134 L 8.07 3.62 0.00 1.86 1.66 1.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.25 3.91 0.00 2.06 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 2.31 2.43 0.00 136 T 7.85 3.82 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 1.20 0.00 0.00 137 Q 7.73 3.80 0.00 1.81 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 1.35 1.94 0.00 138 L 7.84 3.88 0.00 1.76 1.64 0.81 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 139 G 8.20 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 L 8.01 4.09 0.00 1.86 1.90 1.03 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.51 3.56 1.80 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 1.06 -0.14 0.80 0.00 0.00 142 Q 7.51 4.02 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.94 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 143 K 7.63 4.18 0.00 1.76 1.86 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.65 7.81 144 V 8.24 4.17 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 0.78 0.00 0.00 1.12 0.00 0.00 145 G 7.79 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 0.00 146 L 8.65 3.94 0.00 1.75 1.68 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.12 3.96 0.00 2.06 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 2.40 2.40 0.00 148 N 8.20 4.28 0.00 3.04 2.90 0.00 0.00 6.70 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 0.00 149 Y 8.01 3.94 0.00 2.96 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 0.00 150 L 8.40 4.18 0.00 1.91 1.74 0.95 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.63 3.92 0.00 2.09 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.86 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 152 S 7.98 4.25 0.00 3.53 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 0.00 153 H 7.87 4.63 0.00 2.92 3.04 0.00 5.82 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 M 7.38 4.16 0.00 1.77 2.10 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.47 0.00 155 H 7.49 5.08 0.00 3.10 3.18 0.00 5.72 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 0.00 156 E 8.71 4.13 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 2.30 2.30 0.00