NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.3693 8.3033 121.7402 56.2366 30.9445 173.7409 2 Q 4.7205 8.5747 125.9698 54.4456 29.9422 173.9136 3 L 4.9251 8.4878 123.4221 53.2276 45.6715 175.1750 4 T 4.5058 8.1575 109.5454 59.7994 71.6729 175.4305 5 K 3.4418 8.7855 122.7311 60.3717 32.0244 179.3546 6 C 4.4453 8.0532 115.4001 59.5986 41.2111 175.7807 7 E 3.8822 7.7992 119.3576 59.0709 29.0101 179.3526 8 V 3.4824 7.6541 118.5210 65.7234 31.3432 177.7217 9 F 3.9031 7.9879 119.3983 61.4485 39.6970 176.8339 10 R 4.1382 8.3759 118.2654 59.4163 29.7499 177.8871 11 E 4.2978 8.3029 116.2986 57.6057 29.8742 177.8464 12 L 4.4954 7.4549 118.7724 54.2281 42.0037 177.9506 13 K 3.7688 7.4272 121.0204 59.8891 32.1079 178.8673 14 D 4.3605 7.9282 116.2889 56.3702 41.0500 176.9224 15 L 4.1456 8.1191 118.7887 54.6611 42.1740 175.7452 16 K 3.9550 7.7652 120.6844 57.9541 31.9987 176.8576 17 G 4.0450 9.2215 115.5884 45.7304 0.0000 172.2609 18 Y 3.9705 7.8658 122.0554 58.9477 39.0389 176.6175 19 G 3.6415 8.6665 113.8395 46.0280 0.0000 174.0142 20 G 3.8728 8.5248 106.7185 45.1331 0.0000 173.8485 21 V 4.3324 7.5296 118.8774 59.4056 33.4393 175.6784 22 S 4.8380 8.6962 118.0859 57.3952 65.5134 175.5213 23 L 4.0319 8.3628 122.7470 57.7842 41.3873 178.0080 24 P 4.5462 0.0000 0.0000 65.7365 31.1788 178.3907 25 E 3.8572 7.8354 116.6541 59.2972 29.2760 179.5375 26 W 4.2041 7.8081 119.0234 59.6726 29.1059 178.8453 27 V 3.7633 8.3319 118.7045 66.0312 31.0656 177.3607 28 C 2.4500 7.9563 118.2105 59.2295 37.4725 175.6412 29 T 3.7337 7.8250 117.7246 66.9202 68.0102 176.8744 30 T 3.8411 8.2369 111.6902 64.3306 68.5772 176.3886 31 F 3.2125 7.7903 123.2877 61.3226 39.2904 176.5752 32 H 4.0473 7.7464 112.6329 57.3960 28.5445 177.1344 33 T 4.3504 7.1929 117.2693 64.9823 69.0243 175.6321 34 S 4.4659 7.7425 111.6540 56.5683 64.2488 174.3287 35 G 3.1766 8.3853 108.5547 46.8896 0.0000 173.7207 36 Y 3.7088 7.7198 113.1778 58.4697 35.5309 168.4544 37 D 5.1083 7.8345 120.8893 52.7831 41.5291 176.9886 38 T 4.1000 8.9192 118.4076 63.2820 69.6495 175.5165 39 Q 4.9288 8.8459 120.7480 55.5993 30.0630 175.5050 40 A 4.2140 7.9954 122.5960 52.1250 19.5649 177.4973 41 I 4.8672 8.1594 121.8358 59.4598 41.3703 174.1088 42 V 4.2445 8.6265 129.3092 61.2233 33.9371 173.6783 43 Q 4.7463 8.5445 129.6060 54.0119 30.1877 174.6493 44 N 4.9372 9.0550 124.4501 51.0378 41.3159 174.1483 45 N 4.4251 8.8032 117.1328 56.5806 38.8158 174.8949 46 D 4.9263 7.9102 112.6997 52.3946 40.9484 174.8027 47 S 4.8892 7.5876 113.0901 57.7426 65.5121 172.8562 48 T 5.1158 8.9910 117.7096 61.9669 72.7337 172.6346 49 E 5.1566 9.1017 124.5314 54.9006 32.6020 174.6296 50 Y 5.1318 9.0352 120.8146 57.3426 42.0021 177.7433 51 G 4.3458 9.0099 112.2530 44.6976 0.0000 173.4731 52 L 3.8267 8.5656 118.5027 57.0701 41.7777 178.3985 53 F 4.5929 8.0976 113.4750 56.6860 40.0074 175.2483 54 Q 3.5254 7.9121 119.2224 57.0651 26.4488 173.8076 55 I 4.3945 8.3815 119.6202 60.9166 38.5063 177.2841 56 N 5.8861 9.4930 124.5727 51.7877 39.1726 174.9595 57 N 5.1498 8.9030 117.0356 52.9395 37.4191 175.6712 58 K 4.2102 9.1506 121.5600 58.6153 33.3576 178.1545 59 I 4.3382 7.8651 118.0270 61.7412 39.3004 178.4355 60 W 4.4702 7.7240 120.5495 58.7353 29.7175 173.3784 61 C 5.6174 7.9905 111.1124 53.9297 41.2536 172.5425 62 K 4.9601 8.6313 120.0742 54.9452 33.2380 174.5120 63 D 4.8412 8.1761 124.1270 52.5183 42.5103 175.5486 64 D 4.5183 8.8126 117.6452 57.1596 41.1191 178.2314 65 Q 4.1299 7.8556 120.0288 58.5871 29.5504 176.1151 66 N 5.0195 8.2579 116.4869 50.2652 38.4977 173.1359 67 P 4.3203 0.0000 0.0000 65.4053 31.9732 177.7173 68 H 4.8521 7.9688 114.7514 55.5138 28.8233 175.0778 69 S 4.3344 7.6731 114.4508 58.2043 62.8206 174.8134 70 S 4.0231 8.2879 119.5689 59.5117 63.4288 173.7153 71 N 4.2909 8.2272 119.8510 54.1440 37.6048 175.2271 72 I 3.6876 7.8189 119.7423 64.9237 37.6792 177.3611 73 C 4.5305 8.7094 114.9400 56.7943 40.6617 172.6704 74 N 4.0955 8.1195 117.9316 53.7445 37.4993 172.9157 75 I 4.4294 7.8145 116.1874 59.5550 42.0409 173.0539 76 S 4.5953 8.2301 119.5471 57.7567 63.1799 175.6219 77 C 3.4785 8.9221 126.0434 59.9216 38.5557 175.7382 78 D 4.3229 7.2731 118.8218 54.9759 38.7284 178.1039 79 K 4.1097 7.3883 119.6764 58.4534 32.1437 177.9420 80 F 5.2434 7.5488 117.9956 57.3958 39.2224 175.7816 81 L 5.0447 7.9688 117.5655 53.7105 42.0995 176.0310 82 D 4.8021 7.7811 119.0326 52.1338 41.2036 175.7744 83 D 4.4210 8.4224 117.3382 55.6315 41.1461 176.4065 84 D 4.5494 7.3636 119.5130 53.4488 40.6134 176.1149 85 L 4.5880 8.3994 126.0577 55.4594 41.8139 178.7800 86 T 3.8345 7.9864 117.9558 66.6992 68.5779 175.9628 87 D 4.4360 8.1505 120.4465 56.6985 39.3734 177.9932 88 D 4.0498 8.2734 119.9050 57.1657 40.8186 178.8521 89 I 3.2867 7.6419 119.9560 64.2364 36.8960 178.0533 90 M 3.8118 7.7247 118.6254 58.7865 32.0280 177.5131 91 C 4.2179 7.8991 117.9618 59.6919 41.7002 175.4942 92 V 3.2564 7.5291 120.1242 65.9806 30.8775 178.1147 93 K 3.8155 7.8911 118.2367 59.2317 31.7490 179.5072 94 K 4.0394 7.5958 118.9896 59.4130 31.8882 179.5091 95 I 2.9778 7.4484 120.1130 63.9982 36.9818 178.4534 96 L 4.1042 8.3684 120.2563 57.9683 41.2730 179.2909 97 D 4.4444 8.0878 117.6437 57.2603 40.8472 178.8493 98 K 4.1718 7.9595 117.6083 59.1518 32.4730 178.8499 99 V 4.2258 8.5558 116.0739 61.5249 32.7992 176.3072 100 G 4.0690 7.5792 103.4202 44.6560 0.0000 174.1072 101 I 3.8244 8.2122 117.9801 64.0477 38.0146 176.8061 102 N 4.7247 8.1135 115.0720 53.7422 38.1281 175.3419 103 Y 4.0540 7.9184 122.6857 59.7504 39.0564 175.7270 104 W 4.3209 8.4034 120.6234 55.1132 28.7135 176.6856 105 L 3.9500 8.4750 125.1009 57.7792 40.9748 179.3738 106 A 4.0315 8.0887 120.1752 54.9963 18.2704 179.0464 107 H 3.9128 8.4091 117.2631 59.4035 29.7919 177.4388 108 K 3.9670 8.2766 120.5849 58.7659 32.1321 178.1861 109 A 4.1650 7.9137 120.1600 54.3745 18.6178 178.1172 110 L 4.7211 8.2532 112.9385 54.6677 43.3346 176.1760 111 C 4.9777 8.2022 116.1967 57.0196 39.6259 174.6791 112 S 4.4115 7.7653 113.7426 57.8518 63.1302 173.2695 113 E 4.6983 7.9938 116.7271 56.2789 31.4524 174.6991 114 K 3.9441 8.4693 114.8378 57.5367 29.7560 177.7298 115 L 4.5739 8.0507 119.4042 56.7290 42.0901 178.8337 116 D 4.5347 8.4491 119.1133 56.5396 38.9373 178.1611 117 Q 4.0744 7.5114 113.9681 56.4737 28.6535 176.1504 118 W 4.7295 8.3472 118.0570 56.6494 29.5165 175.8262 119 L 4.3855 7.3690 118.9379 54.2875 42.3151 176.0861 120 C 4.4755 7.4132 117.8615 54.9817 43.0358 173.2791 121 E 4.1697 8.5553 128.3860 57.4496 29.9543 177.2360 122 K 3.9751 8.6807 125.1529 53.7906 29.5765 175.3137 123 L 4.2307 7.2746 124.8148 56.6481 43.5192 173.9411 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 E 8.30 4.37 0.00 2.16 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 2.47 2.44 0.00 2 Q 8.57 4.72 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.29 6.66 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 3 L 8.49 4.93 0.00 1.44 1.48 0.89 0.85 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 4 T 8.16 4.51 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 1.23 0.00 0.00 5 K 8.79 3.44 0.00 1.88 1.86 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.67 1.93 7.81 6 C 8.05 4.45 0.00 2.96 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 0.00 7 E 7.80 3.88 0.00 2.08 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 2.27 0.00 8 V 7.65 3.48 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 0.98 0.00 0.00 0.50 0.00 0.00 9 F 7.99 3.90 0.00 3.28 3.29 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 10 R 8.38 4.14 0.00 2.08 2.17 0.00 3.15 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 1.65 1.71 0.00 11 E 8.30 4.30 0.00 1.94 1.95 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 2.33 2.63 0.00 12 L 7.45 4.50 0.00 1.54 1.44 0.83 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 13 K 7.43 3.77 0.00 1.94 1.84 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.38 1.58 7.81 14 D 7.93 4.36 0.00 2.55 2.62 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 15 L 8.12 4.15 0.00 1.50 1.47 -0.33 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.77 3.95 0.00 1.82 1.75 0.00 1.89 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.48 7.81 17 G 9.22 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 18 Y 7.87 3.97 0.00 3.14 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 19 G 8.67 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.52 3.87 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 0.00 0.00 0.00 21 V 7.53 4.33 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 0.87 0.00 0.00 0.41 0.00 0.00 22 S 8.70 4.84 0.00 4.13 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 23 L 8.36 4.03 0.00 1.58 1.36 -0.09 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.55 0.00 2.32 2.51 0.00 3.64 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.50 0.00 25 E 7.84 3.86 0.00 2.27 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 2.53 2.34 0.00 26 W 7.81 4.20 0.00 3.39 3.09 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 27 V 8.33 3.76 2.51 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 1.46 0.00 0.00 1.27 0.00 0.00 28 C 7.96 2.45 0.00 1.40 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 29 T 7.82 3.73 4.13 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 1.05 0.00 0.00 30 T 8.24 3.84 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 31 F 7.79 3.21 0.00 2.74 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 32 H 7.75 4.05 0.00 3.13 3.29 0.00 5.89 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 T 7.19 4.35 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 34 S 7.74 4.47 0.00 3.88 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 35 G 8.39 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 0.00 0.00 0.00 36 Y 7.72 3.71 0.00 3.30 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 37 D 7.83 5.11 0.00 2.72 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 38 T 8.92 4.10 4.28 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 1.25 0.00 0.00 39 Q 8.85 4.93 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.86 0.00 0.00 0.00 0.00 0.00 2.57 2.40 0.00 40 A 8.00 4.21 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 41 I 8.16 4.87 1.80 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.55 0.93 0.00 0.00 42 V 8.63 4.24 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 0.93 0.00 0.00 0.96 0.00 0.00 43 Q 8.54 4.75 0.00 2.03 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.55 0.00 0.00 0.00 0.00 0.00 2.25 2.20 0.00 44 N 9.05 4.94 0.00 2.85 2.74 0.00 0.00 7.00 8.56 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 45 N 8.80 4.43 0.00 2.66 2.86 0.00 0.00 6.67 8.47 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 46 D 7.91 4.93 0.00 2.75 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 47 S 7.59 4.89 0.00 4.03 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 48 T 8.99 5.12 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 0.75 0.00 0.00 49 E 9.10 5.16 0.00 1.92 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 2.48 2.42 0.00 50 Y 9.04 5.13 0.00 3.16 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 0.00 51 G 9.01 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 0.00 0.00 0.00 0.00 52 L 8.57 3.83 0.00 1.45 1.43 0.84 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.10 4.59 0.00 3.08 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 54 Q 7.91 3.53 0.00 2.37 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.83 0.00 0.00 0.00 0.00 0.00 2.49 2.64 0.00 55 I 8.38 4.39 1.92 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.65 1.12 0.00 0.00 56 N 9.49 5.89 0.00 3.01 3.14 0.00 0.00 6.47 6.96 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 57 N 8.90 5.15 0.00 2.89 3.31 0.00 0.00 6.40 7.13 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 58 K 9.15 4.21 0.00 1.75 1.86 0.00 1.64 0.00 0.00 1.84 0.00 0.00 2.81 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.48 1.58 7.81 59 I 7.87 4.34 0.66 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.28 -0.47 0.00 0.00 60 W 7.72 4.47 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 61 C 7.99 5.62 0.00 2.97 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 62 K 8.63 4.96 0.00 1.82 1.61 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.31 1.34 7.81 63 D 8.18 4.84 0.00 2.85 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 64 D 8.81 4.52 0.00 2.70 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 65 Q 7.86 4.13 0.00 2.19 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.14 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 66 N 8.26 5.02 0.00 2.93 2.70 0.00 0.00 6.83 7.64 0.00 0.00 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 P 0.00 4.32 0.00 2.17 2.18 0.00 3.78 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 1.89 1.95 0.00 68 H 7.97 4.85 0.00 3.10 3.32 0.00 5.73 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 69 S 7.67 4.33 0.00 4.09 3.81 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 70 S 8.29 4.02 0.00 3.94 3.99 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 71 N 8.23 4.29 0.00 2.99 2.78 0.00 0.00 7.02 7.42 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 72 I 7.82 3.69 2.05 0.00 0.00 0.76 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 0.61 1.13 0.00 0.00 73 C 8.71 4.53 0.00 3.42 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 74 N 8.12 4.10 0.00 2.83 2.83 0.00 0.00 6.83 7.72 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 75 I 7.81 4.43 1.94 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.92 0.72 0.00 0.00 76 S 8.23 4.60 0.00 3.79 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 77 C 8.92 3.48 0.00 2.03 1.18 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 78 D 7.27 4.32 0.00 2.96 2.94 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 79 K 7.39 4.11 0.00 1.37 1.80 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.42 7.81 80 F 7.55 5.24 0.00 3.23 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.97 5.04 0.00 1.85 1.79 1.18 1.33 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 82 D 7.78 4.80 0.00 2.79 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 83 D 8.42 4.42 0.00 2.71 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 84 D 7.36 4.55 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 85 L 8.40 4.59 0.00 1.73 1.70 0.94 0.77 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 86 T 7.99 3.83 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 1.19 0.00 0.00 87 D 8.15 4.44 0.00 3.16 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.27 4.05 0.00 3.03 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 89 I 7.64 3.29 1.84 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.81 0.60 0.00 0.00 90 M 7.72 3.81 0.00 2.24 2.01 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.67 0.00 91 C 7.90 4.22 0.00 3.18 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 92 V 7.53 3.26 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 0.28 0.00 0.00 -0.47 0.00 0.00 93 K 7.89 3.82 0.00 1.70 1.48 0.00 1.41 0.00 0.00 1.21 0.00 0.00 2.13 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.30 0.77 7.81 94 K 7.60 4.04 0.00 1.91 1.94 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.18 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.64 7.81 95 I 7.45 2.98 1.72 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.18 -0.29 0.00 0.00 96 L 8.37 4.10 0.00 2.06 1.93 1.33 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 97 D 8.09 4.44 0.00 2.90 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 98 K 7.96 4.17 0.00 1.92 1.97 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.56 1.83 7.81 99 V 8.56 4.23 1.88 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 1.03 0.00 0.00 0.98 0.00 0.00 100 G 7.58 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 0.00 101 I 8.21 3.82 1.65 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.57 0.70 0.00 0.00 102 N 8.11 4.72 0.00 2.82 2.87 0.00 0.00 6.85 7.46 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 0.00 103 Y 7.92 4.05 0.00 2.76 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 0.00 104 W 8.40 4.32 0.00 3.70 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 0.00 105 L 8.47 3.95 0.00 1.65 1.71 0.86 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.09 4.03 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 0.00 107 H 8.41 3.91 0.00 3.08 3.46 0.00 5.60 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 0.00 108 K 8.28 3.97 0.00 2.01 1.84 0.00 1.54 0.00 0.00 2.39 0.00 0.00 3.13 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.42 7.81 109 A 7.91 4.17 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 0.00 110 L 8.25 4.72 0.00 1.40 1.61 0.58 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 111 C 8.20 4.98 0.00 2.68 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 0.00 112 S 7.77 4.41 0.00 3.79 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 0.00 113 E 7.99 4.70 0.00 2.03 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 0.00 2.11 2.27 0.00 114 K 8.47 3.94 0.00 2.08 1.97 0.00 1.70 0.00 0.00 1.86 0.00 0.00 3.00 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.46 1.47 7.81 115 L 8.05 4.57 0.00 1.84 1.91 0.96 1.05 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 0.00 116 D 8.45 4.53 0.00 2.80 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 0.00 117 Q 7.51 4.07 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.22 0.00 0.00 0.00 0.00 0.00 1.16 1.32 0.00 118 W 8.35 4.73 0.00 3.51 3.38 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 0.00 119 L 7.37 4.39 0.00 1.85 1.51 0.97 0.97 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 0.00 120 C 7.41 4.48 0.00 1.23 2.40 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 0.00 121 E 8.56 4.17 0.00 1.82 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 2.25 2.32 0.00 122 K 8.68 3.98 0.00 1.99 1.90 0.00 1.96 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.22 0.97 7.81 123 L 7.27 4.23 0.00 2.03 1.77 1.15 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00