NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4103 8.3049 118.7944 54.3397 33.1049 174.3088 2 N 4.6436 8.3761 114.7357 52.5865 39.1012 174.1926 3 T 3.6750 8.5887 120.7072 63.7208 69.9638 173.0655 4 K 4.2401 8.1711 126.3086 54.9892 33.3984 175.1537 5 Y 4.8779 8.7497 124.4403 56.6500 39.9795 175.8401 6 N 4.8083 8.6402 119.8850 52.3683 41.0011 176.4923 7 K 3.9146 8.5918 124.6360 60.0258 32.4755 179.2584 8 E 3.9148 8.1466 118.2319 59.0196 29.3884 179.0190 9 F 4.2614 8.2004 120.4842 61.3522 39.5342 177.0149 10 L 3.6417 8.2178 118.8064 57.5075 41.2284 179.5183 11 L 3.5112 7.6840 119.1112 57.7909 41.5704 178.9776 12 Y 3.9178 7.8332 119.3190 60.6705 38.8153 177.7805 13 L 4.0077 8.3366 121.4914 57.9447 41.9918 178.7027 14 A 4.1187 8.2372 121.2651 55.0120 18.3004 179.8084 15 G 3.4335 7.7328 104.1658 47.9883 0.0000 175.7515 16 F 3.8360 7.9680 123.5130 60.6884 39.3739 177.4585 17 V 3.7126 8.5330 118.4190 66.1195 31.1877 177.7568 18 D 4.5127 8.2586 117.9672 57.8314 40.6361 177.8233 19 G 3.5098 7.8806 106.5876 44.7485 0.0000 173.8856 20 D 4.7274 8.1441 118.4753 52.4005 41.7912 176.5488 21 G 4.2589 7.3860 107.9350 45.3796 0.0000 173.3200 22 S 4.7362 8.7094 113.4009 56.8904 66.2792 172.7690 23 I 4.9923 8.5039 127.2719 59.7505 39.3410 174.8517 24 I 4.7200 9.0631 128.0989 59.2733 40.5137 174.5765 25 A 5.2852 8.7130 127.3213 50.3332 21.7944 175.1624 26 Q 4.6473 9.1736 119.2781 54.1832 33.8357 174.3087 27 I 4.8337 8.4291 121.8581 59.7227 39.5344 175.0223 28 K 4.6515 9.1350 127.7902 53.7575 34.2586 174.3789 29 P 4.6440 0.0000 0.0000 62.8356 32.4447 175.9179 30 N 4.4870 8.9571 121.4545 53.2925 41.5247 175.0939 31 Q 4.1466 9.0262 126.4771 57.7736 29.1088 177.1821 32 S 4.5180 7.9220 111.4445 57.9801 63.8798 173.9246 33 S 4.6514 7.6207 116.5422 56.3855 64.8670 174.8994 34 K 3.5200 8.4772 122.7108 59.2683 31.6645 177.7343 35 F 4.8367 7.4222 113.8156 57.1381 39.3036 176.1404 36 K 4.1474 9.3574 118.6958 56.9949 29.9071 175.0423 37 H 5.4328 7.9436 114.3744 54.5576 33.2887 172.7850 38 R 4.7996 9.1772 122.6947 54.5933 32.5847 174.7006 39 L 4.9539 8.7269 125.8870 54.2516 42.9958 175.9682 40 S 4.8342 9.1197 118.0019 56.3916 65.6501 172.4392 41 L 5.2791 8.5996 125.6830 53.3183 45.0409 175.4265 42 T 4.8776 9.2379 119.9858 61.7668 72.7940 172.4598 43 F 5.3075 9.3692 128.9431 56.7585 41.4267 174.1657 44 Q 4.7246 8.6166 126.9143 54.1025 32.7275 173.7918 45 V 4.5293 8.6029 125.1818 61.4563 34.3595 174.2081 46 T 5.0441 8.1947 124.6396 62.5700 70.2589 174.0679 47 Q 4.5934 9.0564 125.0146 54.3746 33.2243 173.6204 48 K 4.0920 8.8274 125.6272 57.2033 32.7974 177.8886 49 T 3.9380 8.5640 122.0760 66.3756 68.5818 176.7174 50 Q 4.0720 8.2025 118.4161 58.4624 28.7832 177.2547 51 R 4.5020 8.0085 117.6650 55.9002 30.6577 177.9920 52 R 3.9204 8.2407 122.3367 59.2188 29.7942 178.0992 53 W 4.5645 8.3698 116.2317 59.7749 27.5401 177.9489 54 F 3.5015 6.7942 120.5230 60.6766 39.0393 176.9233 55 L 4.0825 7.6282 118.2912 57.6412 41.4447 178.7134 56 D 4.4526 8.6205 119.2792 57.5989 40.7464 179.0452 57 K 3.8893 8.2348 118.7305 59.5520 31.9749 179.3232 58 L 3.7108 7.4280 118.8013 57.4650 41.3091 179.5374 59 V 3.7295 7.6612 117.7722 66.1013 31.2532 177.4443 60 D 4.2799 7.4994 116.5094 57.4107 41.1783 177.8327 61 E 3.9016 7.9866 117.9489 59.4866 29.5448 179.1147 62 I 4.0004 8.0382 119.0195 62.1630 37.2625 177.4848 63 G 4.0393 9.9029 106.8826 45.1324 0.0000 172.7197 64 V 4.3564 7.4117 117.0418 60.8893 34.1729 173.9060 65 G 3.9040 10.2321 106.7960 45.2266 0.0000 171.4021 66 Y 4.9788 7.5956 115.1938 55.7940 41.8210 173.8480 67 V 4.8811 8.5294 119.4430 61.1302 34.1234 174.5563 68 R 4.7986 8.7658 126.8576 54.6930 33.2932 173.7063 69 D 5.2198 8.7822 125.3548 53.6649 42.7586 176.4771 70 S 4.5163 9.6196 118.7426 58.3285 68.0457 175.0124 71 G 3.8062 8.4477 115.5531 47.0307 0.0000 173.9294 72 S 4.6370 8.8026 119.7341 57.7153 63.5277 173.1465 73 V 5.0053 7.8688 114.2508 59.9972 35.7997 174.4361 74 S 5.2838 9.3084 117.3816 57.0402 67.4805 173.0288 75 N 5.3809 8.9092 117.7319 51.9148 42.8447 173.3893 76 Y 4.6970 9.0957 125.7376 57.2715 40.5223 174.1463 77 I 4.5390 7.4516 126.4989 59.1402 41.4613 174.0501 78 L 4.7697 8.7762 128.0028 53.6503 44.4467 176.6566 79 S 4.9854 8.8087 119.5692 56.1717 65.3463 174.4675 80 E 4.1398 8.1374 122.5052 55.7649 30.4424 176.7654 81 I 3.7712 8.4661 127.7076 64.4295 37.3575 178.3669 82 K 4.0021 8.0221 120.0507 59.0467 32.2244 176.9690 83 P 4.3873 0.0000 0.0000 65.7772 31.0520 178.1031 84 L 4.0694 8.1784 120.2213 58.1898 42.0689 178.3323 85 H 4.0946 8.5084 118.2950 59.3437 29.7002 176.6619 86 N 4.4017 8.4721 118.8473 56.6490 38.7308 176.5844 87 F 4.4361 8.6266 122.0462 61.5765 39.5424 177.2364 88 L 3.5402 8.3511 118.9702 57.6630 41.0878 179.4879 89 T 3.7536 7.5991 115.1384 66.9475 68.5093 176.1992 90 Q 4.1493 7.5294 118.3125 58.3631 29.0769 177.9390 91 L 3.9868 7.6161 121.7603 57.7372 41.9104 178.2861 92 Q 3.8197 8.1649 120.0260 59.0340 28.6373 177.0596 93 P 4.0564 0.0000 0.0000 64.3515 31.3437 176.8163 94 F 4.8193 7.6038 114.5045 57.2894 40.1253 176.3103 95 L 4.2525 7.4611 121.3092 54.6947 41.9384 176.9277 96 K 4.4820 9.4577 120.4903 56.6786 34.5823 177.3552 97 L 4.4866 8.3753 116.4758 55.0646 43.2681 177.2198 98 K 5.0607 7.9623 115.6386 55.1389 33.0018 177.7861 99 Q 3.9312 8.1177 122.7748 59.2611 28.8254 178.3336 100 K 3.9353 7.9300 119.0267 59.5194 32.1304 179.1825 101 Q 3.9654 8.0655 117.6386 58.7882 28.5955 178.5191 102 A 3.9938 8.0202 121.7177 55.4519 18.4771 179.5572 103 N 4.2293 8.3081 114.9941 56.1975 38.4462 177.7697 104 L 3.8620 8.1652 120.8731 57.6261 41.6332 179.5698 105 V 3.6361 7.9795 118.2586 66.0230 31.4591 177.9601 106 L 3.9735 8.1190 118.8441 57.7540 41.2596 179.3708 107 K 3.8673 7.8480 118.0965 59.5440 32.3551 178.5659 108 I 4.2613 8.1613 120.1308 64.7119 36.9971 178.2850 109 I 3.8073 8.0808 120.7482 64.7911 36.7511 178.3729 110 E 4.0547 8.2542 118.0625 58.8292 29.5114 178.4247 111 Q 4.5072 8.2239 116.2484 55.9092 29.4087 177.4043 112 L 4.0554 7.6703 121.7497 57.5526 41.5444 177.4197 113 P 4.3153 0.0000 0.0000 65.4256 31.9211 177.6009 114 S 4.4509 8.0522 110.8754 59.4026 63.8465 175.9413 115 A 3.9370 8.3757 127.0195 55.6610 18.1966 178.2455 116 K 4.5897 7.9759 118.7878 55.2630 31.9064 181.2878 117 E 4.9120 8.2528 113.3010 56.0446 35.4878 178.1054 118 S 4.7709 8.0680 110.4911 55.9527 66.4088 172.1349 119 P 3.1924 0.0000 0.0000 65.9585 31.1580 178.4075 120 D 4.3610 7.7492 117.3515 56.9437 40.6808 178.8257 121 K 3.8421 7.8746 119.9259 59.1068 32.2687 178.3749 122 F 3.9680 8.4232 121.4206 61.3560 39.0470 176.9262 123 L 3.7450 7.8831 117.3757 57.8213 41.7202 178.9207 124 E 3.7693 7.8551 118.9810 59.1720 29.5903 179.0483 125 V 2.0010 7.1239 118.1349 65.5863 31.3996 177.7447 126 C 3.9173 7.5427 116.8068 62.7725 27.9204 176.1471 127 T 4.1812 7.3728 112.6161 63.8060 68.3650 176.8493 128 W 4.4222 7.7295 122.0847 59.5198 29.0311 178.5873 129 V 3.6510 7.7163 117.9505 66.0909 30.6358 177.4030 130 D 4.4063 8.2103 118.7034 57.8216 40.6958 179.1031 131 Q 4.1186 8.0699 118.1128 58.8384 28.6318 178.8442 132 I 3.7196 7.7517 120.3247 64.3138 36.9489 178.2732 133 A 3.9780 7.7927 120.1401 55.0299 18.2567 179.1489 134 A 4.0931 7.9341 118.3030 55.4503 18.5629 179.5592 135 L 4.0948 7.7697 116.1603 57.1431 41.8813 177.6846 136 N 4.6355 7.8331 115.2033 53.1173 39.6837 175.5733 137 D 4.6397 8.0911 120.3157 53.1918 39.3837 176.5896 138 S 4.3351 7.6161 114.5096 58.2344 63.5022 173.7593 139 K 4.6941 8.4728 122.9748 56.2697 35.4985 176.7516 140 T 4.6345 7.7582 107.5158 60.9685 69.3501 173.6306 141 R 4.2019 8.0520 121.6494 56.7988 30.9457 175.3703 142 K 4.3493 8.7297 122.3171 57.7984 34.4462 176.5243 143 T 4.4192 7.8553 115.6380 62.3388 69.4179 174.3781 144 T 4.7063 8.4404 117.2712 59.0855 73.1486 174.8053 145 S 4.0806 8.8176 115.4538 61.6069 62.3589 176.5338 146 E 3.9797 7.8496 121.2461 59.3135 29.5630 178.7418 147 T 4.0278 7.9141 115.4565 66.7625 68.4920 176.3391 148 V 3.5309 7.5660 119.4760 66.1035 31.5914 177.8172 149 R 3.7655 7.9823 117.9030 58.7492 29.4229 177.5441 150 A 3.9664 7.1829 119.8118 53.6412 18.5804 178.5486 151 V 3.9165 8.5679 111.5464 63.6427 31.6284 178.3074 152 L 4.0811 7.8248 120.1822 56.7267 41.7503 176.8895 153 D 4.5353 7.4129 123.4796 54.2990 40.8951 176.0930 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 4.41 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.14 0.00 2 N 8.38 4.64 0.00 2.78 3.06 0.00 0.00 6.90 6.65 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 3 T 8.59 3.68 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 0.76 0.00 0.00 4 K 8.17 4.24 0.00 1.61 1.61 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.49 7.81 5 Y 8.75 4.88 0.00 3.33 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 6 N 8.64 4.81 0.00 2.85 2.80 0.00 0.00 6.61 8.10 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 7 K 8.59 3.91 0.00 1.88 1.83 0.00 1.79 0.00 0.00 1.84 0.00 0.00 2.92 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.42 7.81 8 E 8.15 3.91 0.00 2.09 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 2.39 2.37 0.00 9 F 8.20 4.26 0.00 3.05 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 10 L 8.22 3.64 0.00 1.70 1.75 1.23 0.77 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 11 L 7.68 3.51 0.00 1.58 1.54 0.73 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 12 Y 7.83 3.92 0.00 3.15 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 13 L 8.34 4.01 0.00 1.34 1.26 1.06 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.24 4.12 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 0.00 0.00 15 G 7.73 3.43 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 0.00 16 F 7.97 3.84 0.00 2.78 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.53 3.71 2.41 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 1.20 0.00 0.00 1.40 0.00 0.00 18 D 8.26 4.51 0.00 2.84 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 19 G 7.88 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 0.00 0.00 0.00 20 D 8.14 4.73 0.00 1.92 2.61 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 21 G 7.39 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 0.00 0.00 0.00 0.00 22 S 8.71 4.74 0.00 3.80 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 23 I 8.50 4.99 1.95 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.98 1.01 0.00 0.00 24 I 9.06 4.72 1.89 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 1.16 0.75 0.98 0.00 0.00 25 A 8.71 5.29 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 26 Q 9.17 4.65 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.69 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 27 I 8.43 4.83 1.89 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.58 0.96 0.00 0.00 28 K 9.14 4.65 0.00 1.70 1.75 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.43 7.81 29 P 0.00 4.64 0.00 1.93 1.96 0.00 3.75 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 2.16 0.00 30 N 8.96 4.49 0.00 2.73 2.64 0.00 0.00 6.96 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 31 Q 9.03 4.15 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.27 0.00 32 S 7.92 4.52 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 33 S 7.62 4.65 0.00 3.99 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 34 K 8.48 3.52 0.00 1.37 1.46 0.00 1.33 0.00 0.00 1.17 0.00 0.00 2.13 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.30 0.39 7.81 35 F 7.42 4.84 0.00 2.19 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 36 K 9.36 4.15 0.00 1.92 1.89 0.00 1.65 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.56 7.81 37 H 7.94 5.43 0.00 3.23 3.37 0.00 5.81 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 38 R 9.18 4.80 0.00 1.87 1.82 0.00 3.31 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 39 L 8.73 4.95 0.00 1.67 1.62 0.80 0.65 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 40 S 9.12 4.83 0.00 3.91 3.70 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 41 L 8.60 5.28 0.00 1.64 1.60 0.99 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 42 T 9.24 4.88 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 1.17 0.00 0.00 43 F 9.37 5.31 0.00 3.24 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 44 Q 8.62 4.72 0.00 1.95 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.52 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 45 V 8.60 4.53 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 1.35 0.00 0.00 0.82 0.00 0.00 46 T 8.19 5.04 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 1.19 0.00 0.00 47 Q 9.06 4.59 0.00 2.17 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.90 0.00 0.00 0.00 0.00 0.00 2.09 2.28 0.00 48 K 8.83 4.09 0.00 1.81 1.67 0.00 1.77 0.00 0.00 1.83 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.49 7.81 49 T 8.56 3.94 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 1.25 0.00 0.00 50 Q 8.20 4.07 0.00 2.23 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.45 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 51 R 8.01 4.50 0.00 1.84 1.54 0.00 3.00 0.00 0.00 3.11 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.56 0.00 52 R 8.24 3.92 0.00 2.04 2.02 0.00 3.32 0.00 0.00 3.29 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 53 W 8.37 4.56 0.00 3.67 3.40 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 54 F 6.79 3.50 0.00 1.51 2.45 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 55 L 7.63 4.08 0.00 1.89 1.79 0.96 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.62 4.45 0.00 2.91 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 K 8.23 3.89 0.00 1.79 1.72 0.00 1.90 0.00 0.00 1.84 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.84 7.81 58 L 7.43 3.71 0.00 1.32 0.82 0.68 0.34 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 59 V 7.66 3.73 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 1.27 0.00 0.00 1.24 0.00 0.00 60 D 7.50 4.28 0.00 2.62 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 61 E 7.99 3.90 0.00 1.69 1.12 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 2.03 2.29 0.00 62 I 8.04 4.00 1.85 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.43 0.67 0.00 0.00 63 G 9.90 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 64 V 7.41 4.36 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 1.04 0.00 0.00 65 G 10.23 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 0.00 0.00 0.00 66 Y 7.60 4.98 0.00 3.00 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 67 V 8.53 4.88 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.05 0.00 0.00 68 R 8.77 4.80 0.00 2.12 1.72 0.00 3.29 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 69 D 8.78 5.22 0.00 2.61 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 70 S 9.62 4.52 0.00 3.79 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 71 G 8.45 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 0.00 0.00 0.00 72 S 8.80 4.64 0.00 4.01 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 73 V 7.87 5.01 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 0.79 0.00 0.00 0.99 0.00 0.00 74 S 9.31 5.28 0.00 3.69 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 75 N 8.91 5.38 0.00 2.59 2.54 0.00 0.00 7.04 7.06 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 76 Y 9.10 4.70 0.00 3.05 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 77 I 7.45 4.54 0.65 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.15 0.65 0.00 0.00 78 L 8.78 4.77 0.00 1.70 1.70 0.98 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.81 4.99 0.00 3.92 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 80 E 8.14 4.14 0.00 2.10 1.90 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 2.43 2.45 0.00 81 I 8.47 3.77 1.93 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.77 0.98 0.00 0.00 82 K 8.02 4.00 0.00 1.86 1.84 0.00 1.75 0.00 0.00 1.90 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.53 7.81 83 P 0.00 4.39 0.00 2.49 2.40 0.00 3.60 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.21 0.00 84 L 8.18 4.07 0.00 2.01 2.02 1.16 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 85 H 8.51 4.09 0.00 3.42 3.50 0.00 5.65 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 N 8.47 4.40 0.00 3.11 3.11 0.00 0.00 6.91 7.32 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 87 F 8.63 4.44 0.00 3.20 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 88 L 8.35 3.54 0.00 1.69 1.59 0.99 0.46 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 89 T 7.60 3.75 4.45 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 1.19 0.00 0.00 90 Q 7.53 4.15 0.00 2.23 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.99 0.00 0.00 0.00 0.00 0.00 2.47 2.59 0.00 91 L 7.62 3.99 0.00 0.83 1.05 0.72 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 92 Q 8.16 3.82 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.57 0.00 0.00 0.00 0.00 0.00 2.27 2.52 0.00 93 P 0.00 4.06 0.00 0.95 1.66 0.00 3.59 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 1.68 1.93 0.00 94 F 7.60 4.82 0.00 2.98 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 95 L 7.46 4.25 0.00 1.66 1.64 0.91 0.91 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 96 K 9.46 4.48 0.00 1.74 1.79 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.35 1.37 7.81 97 L 8.38 4.49 0.00 1.76 1.68 0.88 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.96 5.06 0.00 1.93 1.78 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.34 1.28 7.81 99 Q 8.12 3.93 0.00 2.23 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.07 6.91 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 100 K 7.93 3.94 0.00 1.81 1.80 0.00 1.70 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.49 7.81 101 Q 8.07 3.97 0.00 2.31 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.64 2.50 0.00 102 A 8.02 3.99 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 0.00 103 N 8.31 4.23 0.00 2.71 2.79 0.00 0.00 7.10 6.27 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 0.00 104 L 8.17 3.86 0.00 1.80 1.72 0.93 0.94 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 0.00 105 V 7.98 3.64 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 1.18 0.00 0.00 1.01 0.00 0.00 106 L 8.12 3.97 0.00 1.83 1.65 0.81 0.69 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 0.00 107 K 7.85 3.87 0.00 1.70 1.80 0.00 1.32 0.00 0.00 1.04 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.55 1.14 7.81 108 I 8.16 4.26 2.15 0.00 0.00 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 1.94 1.14 1.01 0.00 0.00 109 I 8.08 3.81 2.18 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.21 0.99 0.00 0.00 110 E 8.25 4.05 0.00 2.18 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 2.38 2.49 0.00 111 Q 8.22 4.51 0.00 2.45 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.75 0.00 0.00 0.00 0.00 0.00 2.82 3.11 0.00 112 L 7.67 4.06 0.00 1.70 1.81 1.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 113 P 0.00 4.32 0.00 2.08 2.16 0.00 3.79 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 114 S 8.05 4.45 0.00 4.04 4.16 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 0.00 0.00 0.00 0.00 115 A 8.38 3.94 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 0.00 116 K 7.98 4.59 0.00 1.83 1.69 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.25 7.81 117 E 8.25 4.91 0.00 1.93 1.80 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 2.14 1.86 0.00 118 S 8.07 4.77 0.00 3.92 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 0.00 119 P 0.00 3.19 0.00 2.05 1.85 0.00 3.70 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.23 0.00 120 D 7.75 4.36 0.00 2.59 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 0.00 121 K 7.87 3.84 0.00 1.85 1.92 0.00 1.38 0.00 0.00 1.72 0.00 0.00 2.78 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.50 7.81 122 F 8.42 3.97 0.00 3.20 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 0.00 123 L 7.88 3.74 0.00 1.72 1.59 0.85 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 124 E 7.86 3.77 0.00 1.93 1.71 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 1.63 2.20 0.00 125 V 7.12 2.00 1.71 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 0.79 0.00 0.00 0.45 0.00 0.00 126 C 7.54 3.92 0.00 2.90 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 0.00 127 T 7.37 4.18 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 0.00 128 W 7.73 4.42 0.00 3.55 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 0.00 129 V 7.72 3.65 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 1.09 0.00 0.00 0.96 0.00 0.00 130 D 8.21 4.41 0.00 2.99 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 0.00 131 Q 8.07 4.12 0.00 2.36 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.58 0.00 132 I 7.75 3.72 2.04 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 1.48 0.76 0.94 0.00 0.00 133 A 7.79 3.98 1.35 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 0.00 134 A 7.93 4.09 1.38 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 0.00 0.00 135 L 7.77 4.09 0.00 1.80 1.74 0.91 0.84 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 0.00 136 N 7.83 4.64 0.00 2.88 2.77 0.00 0.00 7.04 7.57 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 0.00 137 D 8.09 4.64 0.00 2.64 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 0.00 138 S 7.62 4.34 0.00 4.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 K 8.47 4.69 0.00 1.71 1.75 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.60 7.81 140 T 7.76 4.63 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 0.00 141 R 8.05 4.20 0.00 1.80 1.86 0.00 3.18 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 142 K 8.73 4.35 0.00 1.75 1.80 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.36 7.81 143 T 7.86 4.42 4.43 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 1.30 0.00 0.00 144 T 8.44 4.71 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 1.26 0.00 0.00 145 S 8.82 4.08 0.00 3.98 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 0.00 146 E 7.85 3.98 0.00 1.99 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 0.00 2.33 2.48 0.00 147 T 7.91 4.03 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 0.00 148 V 7.57 3.53 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 1.10 0.00 0.00 0.81 0.00 0.00 149 R 7.98 3.77 0.00 2.04 2.03 0.00 3.16 0.00 0.00 3.15 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 150 A 7.18 3.97 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 0.00 0.00 151 V 8.57 3.92 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 0.76 0.00 0.00 0.93 0.00 0.00 152 L 7.82 4.08 0.00 1.71 1.73 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 153 D 7.41 4.54 0.00 2.80 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