NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3914 8.2601 123.5850 52.1157 21.0822 177.6821 2 A 4.2119 9.3314 125.7454 49.7991 17.4833 180.1226 3 S 4.6950 8.9848 110.6553 56.8756 67.0255 173.6186 4 C 4.3609 8.4715 121.4618 56.7394 39.6773 173.9010 5 T 4.3086 8.5611 118.0970 60.8693 70.8166 175.4391 6 T 3.7994 8.3775 118.4995 67.0785 68.4933 176.2430 7 E 3.9584 8.2280 119.6096 59.6771 29.4051 178.9678 8 D 4.3418 8.1713 118.6875 57.6459 40.8896 179.0503 9 R 3.7878 8.3053 118.6918 59.3095 30.0878 178.9423 10 R 3.8782 8.0327 118.1892 59.5191 30.0106 178.2738 11 E 3.9320 8.1711 118.1136 59.6608 29.5377 178.6209 12 M 4.0960 8.8128 119.0359 59.3010 32.1341 178.1169 13 Q 4.1081 8.6991 118.1215 59.1217 28.7790 179.4176 14 L 4.0545 7.9760 119.5899 58.2298 41.1326 178.9935 15 M 4.1445 8.3700 118.7711 58.5727 32.0762 178.8585 16 W 4.4853 8.7155 128.1335 60.7335 30.8985 178.2529 17 G 3.9002 8.4268 104.4995 48.2272 0.0000 174.8765 18 N 4.5814 8.4313 117.9674 55.8986 38.7256 177.2085 19 V 3.8878 7.0827 111.9623 60.9554 32.4169 176.5423 20 W 3.8117 7.3301 129.1540 57.0238 31.0191 175.1998 21 S 4.3563 7.0875 119.2028 56.1689 62.4592 173.6313 22 A 4.3331 8.5579 131.5511 54.2684 18.5178 177.7598 23 Q 4.2607 7.9345 112.7733 56.1100 30.3335 175.5093 24 F 4.8247 7.4003 114.2137 54.9900 42.9962 175.4605 25 T 4.1857 8.5603 112.2156 63.4996 69.0075 176.1909 26 G 3.6280 8.4118 105.9670 49.3233 0.0000 175.0928 27 R 3.8469 7.9052 117.6031 58.7397 30.6492 178.7384 28 R 3.7584 7.8250 116.8531 59.7225 30.0070 178.6984 29 I 3.6716 7.9870 118.7163 64.3884 37.1758 178.2598 30 A 3.9570 8.0305 121.4193 55.3487 18.2080 179.8690 31 I 3.5137 8.1947 118.2041 64.3267 37.1470 178.2809 32 A 3.8345 8.3947 121.9631 55.3976 18.0987 179.6858 33 Q 4.0368 8.4731 116.3927 59.2207 28.9092 178.7010 34 A 3.7909 7.8065 121.7007 55.5061 18.2342 179.7025 35 V 3.1033 7.4926 116.3965 65.8809 31.5560 178.0584 36 F 3.7755 7.8349 117.4557 60.3541 38.6633 177.5577 37 K 3.8555 8.6846 119.6609 59.7756 31.5356 178.3188 38 D 4.2802 7.8185 117.6435 56.9187 41.0742 177.8934 39 L 3.9579 8.0475 121.3530 58.3734 41.9960 179.0313 40 F 4.6365 8.2939 116.2476 60.5278 38.8228 177.2984 41 A 4.2313 7.6447 120.0973 54.8029 18.4335 178.6700 42 N 4.8708 7.9509 111.9041 53.3548 40.0313 176.0322 43 V 4.3272 7.8537 120.3746 59.4823 31.9688 173.2906 44 P 4.1018 0.0000 0.0000 66.4206 31.0686 178.0863 45 D 4.4296 8.0280 116.0966 53.5343 39.9127 178.1095 46 A 4.1008 8.2835 123.6107 55.7399 18.5804 179.7447 47 V 2.8332 7.1762 116.0963 66.0685 31.0687 178.1944 48 G 3.7038 7.4648 102.7478 46.9512 0.0000 174.9901 49 L 4.0883 8.2403 120.7647 56.3431 42.0078 177.5861 50 F 4.8354 7.9930 117.5773 57.2508 40.3379 178.6492 51 G 3.5352 8.0459 107.0976 48.0067 0.0000 175.4029 52 A 4.1815 8.0759 121.5400 53.7689 18.3843 178.0238 53 V 4.3786 7.4698 109.9746 61.8892 33.1454 175.7865 54 K 3.7396 8.1495 115.2291 57.6054 29.8020 176.6637 55 G 3.0143 8.1783 105.3044 47.0604 0.0000 173.7715 56 D 4.2586 7.7658 119.5871 56.7893 41.5053 177.2889 57 E 4.3669 7.3760 121.2763 54.3368 27.9027 177.0602 58 V 3.7698 7.8455 115.5322 63.6199 32.0846 176.6684 59 N 4.8322 8.0290 116.1510 53.2395 39.2028 175.3364 60 S 4.4348 8.5092 113.5883 58.5489 65.1354 174.7138 61 N 4.3334 8.7675 121.4183 56.6718 38.3138 177.1964 62 E 4.0128 8.3530 119.4190 59.7637 29.5246 179.2812 63 F 4.3852 8.2650 119.8624 60.9710 39.4966 177.2273 64 K 3.8276 8.5109 118.3802 59.6889 31.8923 178.7439 65 A 4.0479 8.3358 121.0810 55.6186 18.1724 179.1436 66 H 4.0523 7.9163 115.9881 59.6220 29.9784 176.8976 67 C 3.9273 8.2510 118.8471 63.1307 27.9699 176.0366 68 I 3.7191 8.0926 121.3268 64.9400 36.7348 178.5849 69 R 3.9920 8.1487 118.5073 59.2132 29.7646 179.2970 70 V 3.6514 8.2321 118.4937 66.0475 31.6432 177.9481 71 V 3.9488 8.4387 118.3836 66.3678 31.2404 177.4962 72 N 4.6969 8.7663 116.7116 56.7839 38.8660 176.8152 73 G 3.7409 8.2816 107.1841 48.0113 0.0000 175.2725 74 L 3.7080 8.1769 123.2588 57.4538 41.9108 178.4468 75 D 4.0133 8.2041 118.0564 57.3517 41.1532 178.0793 76 S 4.0491 8.1816 116.1725 61.7813 62.6680 177.1126 77 S 3.8971 7.5197 114.7901 61.5102 63.1085 175.8344 78 I 3.6175 7.6308 124.8554 63.9291 36.3556 178.6593 79 G 3.5578 8.0758 106.2149 47.4766 0.0000 174.8302 80 L 4.1386 7.7518 121.0024 56.3110 41.9241 178.4648 81 L 4.0671 7.4059 118.0284 58.2727 41.5795 178.7348 82 S 4.3903 7.4936 112.6296 59.4029 64.3803 173.9930 83 D 4.7291 8.1862 121.4772 50.4484 41.3204 173.2764 84 P 4.1194 0.0000 0.0000 65.5610 31.3936 177.4453 85 A 3.9375 8.0628 118.7429 55.9539 18.1104 179.7458 86 T 3.6927 7.7947 113.4159 66.1694 68.4843 176.8692 87 L 3.8367 8.0139 122.7209 58.3277 42.0692 178.5501 88 N 4.2020 8.5444 116.5066 56.5812 38.5465 177.1111 89 E 3.9091 7.6251 119.0950 59.4424 29.6333 179.0641 90 Q 3.9418 8.1395 119.5673 59.4410 29.1005 178.5997 91 L 3.9626 8.5811 120.2643 57.6793 41.5270 179.4461 92 S 4.0890 8.1297 113.3014 61.3924 62.2281 175.7105 93 H 4.0781 8.2145 120.8883 59.3774 29.8032 177.0461 94 L 4.0045 8.0329 120.5150 57.8152 41.3493 179.3431 95 A 4.7105 8.2071 122.1829 55.1529 18.2148 179.7412 96 T 3.7898 7.9966 114.0533 67.0471 68.3340 176.8843 97 Q 4.0645 8.1432 118.5395 58.8038 28.9297 177.8901 98 H 4.6472 8.0776 116.1412 57.4624 29.1559 177.5891 99 K 4.0737 8.1982 119.8118 59.0600 31.9287 178.4745 100 A 4.3909 7.7380 118.9564 52.2318 18.5081 177.1225 101 R 4.4182 7.5173 117.7840 53.8963 31.3417 175.8216 102 S 4.2310 8.4767 120.4052 59.0109 63.3006 174.0108 103 G 3.8884 8.9669 113.7691 45.8962 0.0000 173.9582 104 V 3.8613 7.4879 120.0982 62.7658 31.0790 175.1557 105 T 4.7405 8.2395 117.5776 59.4500 71.3903 175.3532 106 K 4.0174 8.8991 123.6448 59.9153 32.0200 179.2243 107 G 3.9226 8.6285 105.8537 47.0148 0.0000 176.0212 108 G 3.7521 8.4895 108.8658 47.8127 0.0000 175.8824 109 F 3.9793 8.6331 119.9667 60.5308 38.8872 177.2968 110 S 4.2020 8.0930 110.9712 61.6833 62.3006 176.1437 111 A 4.1973 7.8832 123.2822 55.1641 18.4192 179.2310 112 I 3.6369 8.1479 116.8758 64.2167 37.8827 177.8993 113 A 3.6995 8.5739 121.9919 55.1660 18.0512 179.4565 114 Q 3.9767 7.8464 115.0972 59.3407 29.1196 178.9154 115 S 4.3339 8.0379 116.7200 61.0797 62.8065 176.3899 116 F 3.6951 8.3132 120.1312 60.9458 38.5461 178.0028 117 L 3.9195 7.7220 116.7069 57.7469 41.4052 179.4155 118 R 4.0668 8.0682 117.6057 58.3904 30.4312 178.8045 119 V 3.5750 7.3042 117.6095 65.9496 31.7177 177.5264 120 M 3.4345 7.6849 119.0198 57.9278 31.4822 177.1259 121 P 3.4155 0.0000 0.0000 65.9493 31.0547 177.8539 122 Q 4.0511 8.0734 117.7954 57.9287 28.7379 177.1441 123 V 3.9378 7.3052 117.1805 62.8498 32.8804 176.5488 124 A 4.3093 8.1806 123.0117 51.7048 19.9625 178.8441 125 S 4.8621 8.0559 121.8743 58.2902 61.7458 178.8896 126 C 4.4868 8.7869 126.4461 60.4725 25.4722 171.8266 127 F 4.5008 8.3407 125.4309 57.7182 40.1066 175.4615 128 N 4.5884 7.5124 125.4223 50.1128 39.1694 172.8913 129 P 3.9329 0.0000 0.0000 65.9813 31.2476 177.4639 130 D 4.3582 8.1795 118.2918 56.8505 40.7274 178.4553 131 A 3.9540 8.2437 120.5509 55.1093 18.4920 179.1040 132 W 4.1327 8.0557 126.6222 60.9353 30.6848 177.6628 133 S 4.2359 8.9950 112.9276 61.6984 61.6821 175.9843 134 R 3.8906 8.1735 120.5547 60.0504 29.9465 178.4178 135 C 4.2019 8.1314 115.6832 59.4692 39.6190 175.9984 136 F 3.3171 8.2820 122.7697 61.2464 38.9920 177.0157 137 N 4.3723 8.7059 116.3510 56.0810 37.9487 177.4547 138 R 3.7817 7.4889 120.5071 59.4417 30.1821 178.6634 139 I 3.4932 7.3494 119.5806 64.4622 36.9038 178.3292 140 T 3.6341 7.8195 116.8282 66.9667 68.1040 176.5175 141 T 3.8720 8.0827 117.1243 66.7548 68.6140 176.3072 142 G 3.5930 7.3264 105.4950 48.1850 0.0000 175.3428 143 M 4.2200 7.8347 121.7131 56.7751 32.9549 176.3411 144 T 4.3936 7.3440 114.0534 60.5866 64.6693 173.4702 145 E 4.0774 7.7985 124.5587 57.8084 30.5684 176.4562 146 P 4.5942 0.0000 0.0000 62.6522 32.4853 175.8052 147 L 4.1009 7.8236 118.7930 54.5010 43.6810 174.3253 148 P 4.2309 0.0000 0.0000 64.0570 30.3806 176.3349 149 A 4.1399 9.1498 132.9093 53.8048 19.0086 177.4881 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 A 8.26 4.39 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 2 A 9.33 4.21 1.07 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 3 S 8.98 4.69 0.00 3.91 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 C 8.47 4.36 0.00 2.95 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.56 4.31 4.30 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 1.30 0.00 0.00 6 T 8.38 3.80 4.22 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 1.19 0.00 0.00 7 E 8.23 3.96 0.00 2.04 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 2.40 2.48 0.00 8 D 8.17 4.34 0.00 2.92 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 9 R 8.31 3.79 0.00 1.99 1.94 0.00 3.28 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 10 R 8.03 3.88 0.00 1.93 2.16 0.00 3.16 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 11 E 8.17 3.93 0.00 2.27 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 2.35 2.47 0.00 12 M 8.81 4.10 0.00 2.17 2.01 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 13 Q 8.70 4.11 0.00 2.42 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.61 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 14 L 7.98 4.05 0.00 1.96 1.80 1.03 0.97 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 15 M 8.37 4.14 0.00 2.52 2.72 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.80 0.00 16 W 8.72 4.49 0.00 3.69 3.21 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 0.00 17 G 8.43 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 18 N 8.43 4.58 0.00 2.77 2.93 0.00 0.00 7.02 8.54 0.00 0.00 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 V 7.08 3.89 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 0.72 0.00 0.00 0.80 0.00 0.00 20 W 7.33 3.81 0.00 2.96 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 21 S 7.09 4.36 0.00 3.61 3.48 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 22 A 8.56 4.33 1.47 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 0.00 0.00 0.00 23 Q 7.93 4.26 0.00 2.14 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.75 0.00 0.00 0.00 0.00 0.00 2.21 2.36 0.00 24 F 7.40 4.82 0.00 2.97 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.56 4.19 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 1.18 0.00 0.00 26 G 8.41 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.91 3.85 0.00 1.68 1.85 0.00 3.14 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 28 R 7.83 3.76 0.00 1.88 1.91 0.00 2.91 0.00 0.00 2.92 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.36 0.00 29 I 7.99 3.67 1.98 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.70 0.92 0.00 0.00 30 A 8.03 3.96 1.32 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 0.00 0.00 31 I 8.19 3.51 1.99 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.81 0.93 0.00 0.00 32 A 8.39 3.83 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 33 Q 8.47 4.04 0.00 2.31 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.67 0.00 0.00 0.00 0.00 0.00 2.57 2.55 0.00 34 A 7.81 3.79 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 7.49 3.10 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.00 -0.12 0.00 0.00 36 F 7.83 3.78 0.00 2.97 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 37 K 8.68 3.86 0.00 1.89 1.92 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.50 7.81 38 D 7.82 4.28 0.00 2.73 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 39 L 8.05 3.96 0.00 1.65 1.59 1.03 1.15 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 40 F 8.29 4.64 0.00 3.13 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 41 A 7.64 4.23 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 42 N 7.95 4.87 0.00 2.75 2.91 0.00 0.00 6.74 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 43 V 7.85 4.33 2.33 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 1.15 0.00 0.00 1.02 0.00 0.00 44 P 0.00 4.10 0.00 2.26 2.28 0.00 3.80 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.02 0.00 45 D 8.03 4.43 0.00 2.93 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.28 4.10 1.72 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 0.00 0.00 47 V 7.18 2.83 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 0.33 0.00 0.00 0.38 0.00 0.00 48 G 7.46 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 0.00 0.00 0.00 49 L 8.24 4.09 0.00 1.11 1.19 0.93 0.80 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 50 F 7.99 4.84 0.00 3.06 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 8.05 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.08 4.18 1.32 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 0.00 0.00 53 V 7.47 4.38 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 0.88 0.00 0.00 1.18 0.00 0.00 54 K 8.15 3.74 0.00 1.97 1.76 0.00 1.84 0.00 0.00 1.86 0.00 0.00 2.94 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.38 1.39 7.81 55 G 8.18 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 D 7.77 4.26 0.00 2.58 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 57 E 7.38 4.37 0.00 2.00 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 0.00 2.24 2.22 0.00 58 V 7.85 3.77 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 0.60 0.00 0.00 0.98 0.00 0.00 59 N 8.03 4.83 0.00 2.69 2.83 0.00 0.00 7.03 7.63 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 60 S 8.51 4.43 0.00 4.09 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 61 N 8.77 4.33 0.00 2.82 2.95 0.00 0.00 6.97 7.66 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 62 E 8.35 4.01 0.00 2.14 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 2.45 2.50 0.00 63 F 8.27 4.39 0.00 3.40 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 64 K 8.51 3.83 0.00 2.02 1.87 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.51 1.70 7.81 65 A 8.34 4.05 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 H 7.92 4.05 0.00 3.35 3.16 0.00 5.81 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 67 C 8.25 3.93 0.00 3.07 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 I 8.09 3.72 2.11 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 1.74 0.85 0.95 0.00 0.00 69 R 8.15 3.99 0.00 2.06 2.04 0.00 3.19 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.89 0.00 70 V 8.23 3.65 2.33 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 1.25 0.00 0.00 1.05 0.00 0.00 71 V 8.44 3.95 2.32 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 1.54 0.00 0.00 1.15 0.00 0.00 72 N 8.77 4.70 0.00 3.15 3.17 0.00 0.00 7.10 7.56 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 73 G 8.28 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 74 L 8.18 3.71 0.00 1.63 1.72 0.27 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 75 D 8.20 4.01 0.00 2.99 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 76 S 8.18 4.05 0.00 4.08 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 77 S 7.52 3.90 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 78 I 7.63 3.62 1.54 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.20 0.73 0.00 0.00 79 G 8.08 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 L 7.75 4.14 0.00 1.99 1.56 0.86 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 81 L 7.41 4.07 0.00 1.69 1.63 0.73 0.74 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 82 S 7.49 4.39 0.00 3.83 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 83 D 8.19 4.73 0.00 2.56 2.43 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 84 P 0.00 4.12 0.00 2.15 2.07 0.00 3.64 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.28 0.00 85 A 8.06 3.94 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 86 T 7.79 3.69 4.30 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 1.17 0.00 0.00 87 L 8.01 3.84 0.00 1.87 1.70 0.83 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 88 N 8.54 4.20 0.00 2.98 2.83 0.00 0.00 7.10 7.56 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 89 E 7.63 3.91 0.00 2.06 1.97 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 2.30 2.44 0.00 90 Q 8.14 3.94 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 91 L 8.58 3.96 0.00 1.61 1.59 0.83 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 92 S 8.13 4.09 0.00 3.95 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 93 H 8.21 4.08 0.00 3.29 3.46 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 94 L 8.03 4.00 0.00 1.91 1.72 0.88 0.93 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 95 A 8.21 4.71 1.39 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 0.00 0.00 0.00 96 T 8.00 3.79 4.34 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 1.18 0.00 0.00 97 Q 8.14 4.06 0.00 2.28 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.86 0.00 0.00 0.00 0.00 0.00 2.34 2.60 0.00 98 H 8.08 4.65 0.00 3.46 3.51 0.00 5.82 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 K 8.20 4.07 0.00 1.72 1.88 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.71 7.81 100 A 7.74 4.39 1.31 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 0.00 0.00 101 R 7.52 4.42 0.00 1.82 1.79 0.00 3.23 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 102 S 8.48 4.23 0.00 3.84 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 0.00 103 G 8.97 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 0.00 104 V 7.49 3.86 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 1.18 0.00 0.00 0.97 0.00 0.00 105 T 8.24 4.74 4.34 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 1.35 0.00 0.00 106 K 8.90 4.02 0.00 1.85 1.90 0.00 1.72 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.55 1.51 7.81 107 G 8.63 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 0.00 0.00 0.00 108 G 8.49 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 F 8.63 3.98 0.00 3.43 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 0.00 110 S 8.09 4.20 0.00 4.00 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 0.00 111 A 7.88 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 0.00 112 I 8.15 3.64 1.91 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 1.64 1.47 1.08 0.00 0.00 113 A 8.57 3.70 1.52 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 0.00 114 Q 7.85 3.98 0.00 2.26 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.44 2.63 0.00 115 S 8.04 4.33 0.00 3.96 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 0.00 116 F 8.31 3.70 0.00 3.05 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 0.00 117 L 7.72 3.92 0.00 1.93 1.78 1.03 0.97 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 0.00 118 R 8.07 4.07 0.00 1.82 1.89 0.00 3.11 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 119 V 7.30 3.58 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.71 0.00 0.00 120 M 7.68 3.43 0.00 0.63 0.69 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 2.45 0.00 121 P 0.00 3.42 0.00 2.13 2.16 0.00 3.18 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.06 0.00 122 Q 8.07 4.05 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 123 V 7.31 3.94 1.97 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 0.62 0.00 0.00 0.84 0.00 0.00 124 A 8.18 4.31 1.20 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 0.00 125 S 8.06 4.86 0.00 3.92 2.91 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 0.00 126 C 8.79 4.49 0.00 3.01 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 0.00 127 F 8.34 4.50 0.00 2.85 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 N 7.51 4.59 0.00 2.65 2.50 0.00 0.00 6.89 7.71 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 0.00 129 P 0.00 3.93 0.00 2.33 2.42 0.00 3.60 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 130 D 8.18 4.36 0.00 2.86 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 0.00 131 A 8.24 3.95 1.32 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 0.00 0.00 132 W 8.06 4.13 0.00 3.48 3.22 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 0.00 133 S 9.00 4.24 0.00 4.17 4.06 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 0.00 134 R 8.17 3.89 0.00 2.05 1.97 0.00 3.30 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 135 C 8.13 4.20 0.00 2.77 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 F 8.28 3.32 0.00 2.38 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 0.00 137 N 8.71 4.37 0.00 2.89 2.88 0.00 0.00 6.73 7.59 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 0.00 138 R 7.49 3.78 0.00 1.76 1.99 0.00 3.03 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 139 I 7.35 3.49 1.40 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.31 0.53 0.00 0.00 140 T 7.82 3.63 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 1.21 0.00 0.00 141 T 8.08 3.87 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 1.14 0.00 0.00 142 G 7.33 3.59 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 0.00 0.00 0.00 143 M 7.83 4.22 0.00 1.86 1.91 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.45 0.00 144 T 7.34 4.39 3.35 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 1.02 0.00 0.00 145 E 7.80 4.08 0.00 1.93 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.17 0.00 146 P 0.00 4.59 0.00 2.15 2.13 0.00 3.74 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.94 0.00 147 L 7.82 4.10 0.00 1.62 1.71 0.96 1.11 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 0.00 148 P 0.00 4.23 0.00 2.07 1.71 0.00 3.93 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 149 A 9.15 4.14 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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