NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 D 4.7132 8.3531 120.5423 54.0993 42.9346 177.3149 11 G 4.9044 7.6025 106.9551 44.5422 0.0000 173.7732 12 K 3.8970 8.4347 122.6840 58.5870 32.9120 176.5571 13 L 3.7447 7.9549 120.3975 58.5724 41.9054 178.7474 14 E 3.9627 8.2135 117.4078 59.4731 29.4671 179.1219 15 L 3.9316 7.5869 118.9207 58.0388 41.6315 179.8223 16 I 3.6326 8.0668 119.7750 64.3711 36.9961 178.3968 17 I 3.6045 8.4087 121.0036 64.5641 36.9444 178.3011 18 N 4.2506 8.2638 116.9134 56.1938 38.4322 176.8640 19 A 3.8450 7.8598 121.8703 55.4407 18.2823 179.2671 20 A 3.2932 8.0045 118.5087 55.1477 18.3412 179.3247 21 Q 3.8880 8.1628 118.1914 59.5086 28.9982 179.1378 22 K 3.9351 7.9835 119.0502 59.4365 32.1034 179.4840 23 R 4.0024 7.7658 118.2134 59.5628 29.9647 179.2613 24 F 4.9140 8.1752 117.4351 60.4843 38.6189 177.6410 25 A 3.9816 8.1629 120.2327 55.4646 18.2451 178.9991 26 H 4.0276 8.2102 113.5177 57.9571 29.0309 176.6294 27 Y 4.8687 8.5905 115.8836 56.5529 40.0721 176.4870 28 G 4.0303 8.4104 106.2711 44.6134 0.0000 172.9851 29 L 4.1610 8.2830 118.8433 57.8451 42.4454 178.4767 30 C 4.0190 8.0809 117.3803 62.4174 31.7031 174.8333 31 K 4.1307 8.0012 116.9869 59.1529 31.9257 177.8242 32 T 4.5379 7.2811 114.8212 63.5808 70.0733 174.2883 33 T 4.4259 8.1405 119.8738 61.5016 68.3542 175.6255 *35 N 4.6726 8.7575 112.1090 53.2898 40.9877 176.4367 36 E 3.8792 8.0383 117.1517 59.6147 29.7461 179.2766 37 I 3.6059 7.7412 119.5139 64.0835 36.8351 178.2380 38 A 3.9069 7.8700 120.2989 55.3579 18.6037 179.0465 39 S 4.1911 7.9551 113.3533 62.0737 62.7414 177.1066 40 D 4.2881 7.5942 119.6632 57.5398 40.7979 178.9639 41 V 3.8189 7.4723 109.4792 61.1330 33.0052 175.4199 42 G 3.4628 7.5832 107.1978 45.5754 0.0000 173.5524 *44 G 3.7146 7.4122 107.8347 45.5379 0.0000 172.6608 45 K 4.0803 8.4214 122.8833 59.1693 31.9617 178.5509 46 A 4.1882 8.0454 119.8147 55.3471 18.6251 179.3906 47 S 4.3014 9.4238 113.0110 61.3457 63.3928 176.2029 48 L 4.2226 7.9914 123.7506 58.4172 41.5678 178.4961 49 Y 5.6401 8.0637 116.6474 60.8325 37.7861 177.5186 50 Y 4.1118 7.8116 119.7153 60.7976 38.7546 177.4651 51 Y 4.1312 7.9440 115.6203 58.5415 39.0726 175.9926 52 F 4.9645 8.7904 118.5091 55.4131 42.6550 173.2168 53 P 5.0330 0.0000 0.0000 62.0766 31.6217 174.7359 54 D 4.5716 7.8452 114.3316 52.6270 44.9086 176.0377 55 K 4.1049 8.8005 127.3775 59.6105 32.1576 178.8344 56 E 4.0233 8.2408 117.5205 59.7737 29.6396 179.0331 57 T 3.9926 8.0923 116.4939 66.1601 68.5099 176.0210 58 L 3.4155 7.9023 121.8942 57.9860 42.0280 178.3553 59 F 3.8058 8.4476 120.7457 61.7694 39.1981 176.9284 60 E 4.1551 8.9870 117.9470 59.4830 29.2174 179.4378 61 A 4.0619 8.0419 120.6255 55.3165 18.6918 179.7778 62 V 3.6032 8.0674 117.0548 66.1408 31.3809 178.3671 63 I 3.6645 7.8638 119.7249 64.3984 37.0560 178.5920 64 K 4.0783 8.7775 119.6759 59.2674 31.8369 179.2876 65 K 4.0055 8.7391 120.3992 59.4987 31.8612 178.5268 66 E 3.9931 7.8420 118.2969 59.3689 29.8426 178.3555 67 Q 4.2160 8.5279 118.4904 59.1655 28.7219 178.7041 68 N 4.7481 8.5320 117.4953 56.4663 38.7245 177.5468 69 V 3.6428 8.0216 119.6164 65.9258 31.2295 177.9352 70 F 4.2388 7.7171 119.5783 61.0960 39.2650 176.9926 71 F 4.4158 7.7599 115.9985 60.6173 39.2674 176.6227 72 D 4.6611 8.4101 118.8065 57.5187 40.7417 179.2845 73 E 4.0669 7.9595 118.5671 56.6159 30.0420 178.2977 *75 D 4.5250 8.0984 118.3975 53.9737 42.8902 177.9813 76 K 3.8788 7.7446 116.9579 59.6440 32.4056 178.7387 77 I 3.8551 7.8523 119.6861 64.8889 36.9385 178.4946 78 L 4.1976 7.8800 117.4154 56.6835 41.5526 177.9529 79 N 4.8958 7.7378 115.1051 52.8873 39.2238 175.5456 80 S 4.4417 7.8518 114.1731 57.4250 64.4643 173.9762 81 G 3.9754 7.8377 109.7795 46.5861 0.0000 171.4992 82 I 4.2787 7.2011 110.7194 59.2458 40.6003 175.5427 83 D 4.5597 8.1941 120.5318 52.1823 41.8605 176.7363 84 A 3.8658 8.1930 120.2432 55.6756 18.0956 179.5836 85 T 4.0290 8.0735 113.6985 67.1043 68.6595 176.5454 86 A 4.0675 9.3360 123.2307 55.2344 18.2829 179.8226 87 L 4.0038 8.0667 117.4592 57.9434 41.8305 179.1912 88 L 4.1840 8.2275 120.3318 58.3642 42.0163 179.3071 89 K 4.0629 8.4053 118.3352 59.4057 32.1939 179.3372 90 K 4.0205 8.3018 119.8699 59.4115 31.9162 178.3354 91 Y 4.1818 8.5264 120.5052 60.6515 38.7507 177.6944 92 V 2.9804 7.6686 119.1203 65.9613 31.5409 177.9754 93 K 3.9068 8.0393 117.9270 59.4633 31.8434 179.1122 94 L 4.0643 7.7912 120.1585 58.0695 42.1428 178.7697 95 R 3.7642 8.7927 119.7782 59.4501 29.8477 178.3011 96 S 4.1128 8.3413 113.2505 61.5083 62.3492 176.0369 97 L 4.0259 8.0424 122.9645 58.0032 41.7905 178.2092 98 H 4.0935 8.4220 118.5324 59.3160 29.7836 176.8032 99 F 4.2113 8.0941 122.2005 61.2907 39.2767 176.8184 100 R 3.6438 7.8414 118.0508 59.7827 29.8424 177.8965 101 H 4.1373 7.8870 115.7945 59.0947 28.7726 177.7316 102 L 3.9024 7.7683 120.3473 57.8380 41.5749 179.6580 103 L 3.7964 7.6287 118.8495 57.6134 41.1783 179.1038 104 N 4.3240 7.7101 116.0579 56.3620 38.9269 176.6977 105 L 4.4013 7.8292 120.1746 56.8786 41.8026 178.8004 106 S 4.3849 7.9944 113.3699 59.7961 65.2142 175.0785 107 K 3.7434 7.4967 119.5186 56.0009 31.8132 174.4902 108 L 4.3532 6.8391 126.2811 56.6673 46.1637 176.8682 109 R 4.6424 8.3653 111.5051 57.9393 30.3327 174.9823 110 S 3.9552 8.0051 115.4957 62.1503 62.7308 174.8617 111 D 4.3734 8.0398 120.6364 57.3170 40.8549 177.7771 *112 F 4.3143 7.7413 114.2055 57.1916 38.2310 178.5899 *116 T 4.0989 7.4509 115.0313 62.7588 67.2879 172.6159 117 K 4.8443 7.7803 126.0302 53.4219 35.7697 174.8796 118 P 4.2777 0.0000 0.0000 66.4573 31.4495 177.9528 119 V 3.4602 7.8508 117.8608 66.1004 31.1559 177.9269 120 F 4.1560 8.0596 116.2556 60.0694 38.7024 177.1808 121 A 4.0630 8.0764 120.7010 55.4779 18.1549 179.9619 122 K 4.0141 7.9414 115.9656 59.5553 32.1811 179.4356 123 A 4.1247 8.2009 121.1212 55.7929 18.1723 178.5774 124 F 4.0745 8.8411 118.8082 62.1697 39.2785 176.8383 125 E 3.8918 8.9542 118.8382 59.0165 29.5637 179.6857 126 S 4.0778 8.2947 114.5839 61.4532 63.3230 175.7324 127 F 4.2576 8.0662 124.9804 60.9658 39.1076 176.9135 128 K 3.8740 8.3574 119.0740 59.7320 31.7718 178.7003 129 Q 3.9931 7.9786 118.0949 58.7150 28.8240 178.2418 130 K 3.8276 8.7735 120.5463 59.5396 31.9764 178.9766 131 E 3.8702 8.6696 119.6831 59.2047 29.6417 178.8348 132 V 3.4932 7.6989 118.2920 66.0510 31.2826 177.8043 133 E 3.8986 7.9588 116.8246 59.5175 29.6852 178.7896 134 I 3.7773 8.0527 120.1656 64.6806 37.1561 178.6020 135 V 3.3716 7.8109 118.5197 65.8611 31.2447 177.8263 136 A 4.1976 8.5507 120.9555 55.0380 18.1157 179.8372 137 G 3.5783 8.1121 104.4751 47.7713 0.0000 176.2841 138 I 3.9427 7.6040 121.6555 64.2124 37.2732 178.1799 139 I 4.1395 8.2847 121.1758 64.7200 36.9390 178.0899 140 Q 4.0410 8.5384 120.5391 59.3914 28.7684 177.8371 141 Y 4.3738 8.3276 120.5282 60.7221 38.8371 177.8830 142 G 2.8823 8.2759 107.0773 47.8153 0.0000 175.1890 143 I 4.4213 8.6417 124.1803 63.7448 36.9576 178.6253 144 T 3.8437 7.9661 109.4642 65.2641 68.8668 176.1814 145 T 3.8086 8.3581 115.7370 62.5229 67.1305 174.3412 146 K 4.0433 7.6690 118.1389 57.4744 29.9658 176.9525 147 E 4.0537 8.1881 121.5521 58.2076 29.9810 177.0951 148 F 6.1363 7.1162 116.0235 54.8323 41.7749 175.6850 149 K 4.3880 8.6443 121.4802 56.4328 33.5577 176.1375 150 R 4.4277 8.5867 124.6318 57.8256 30.6084 176.3480 151 G 3.8124 9.0210 113.9265 47.3433 0.0000 172.1857 152 N 4.6740 8.5627 122.2179 51.8717 39.5525 175.2238 153 K 3.9094 8.6807 129.3717 60.6406 32.3779 178.2240 154 H 4.1796 8.3000 118.5452 58.6611 29.9999 176.4566 155 E 3.9063 8.5675 121.1140 59.4997 29.4313 178.1959 156 N 4.5186 8.1741 116.0608 56.6664 38.7073 176.6964 157 A 3.9731 8.1377 121.6708 55.7064 18.4072 179.2342 158 E 3.7364 8.0628 116.3683 59.6106 29.5497 179.6691 159 F 4.2842 8.1997 120.2387 61.2571 39.4887 176.7923 160 L 3.2836 7.9828 120.2996 57.8737 41.6768 179.0392 161 V 3.5555 7.6689 117.9631 66.4961 31.5199 177.6831 162 H 4.2546 8.6322 116.1365 58.7261 28.5153 177.6830 163 L 3.7482 8.2051 121.0624 57.8737 41.5530 179.6792 164 L 3.8742 7.8881 118.8166 57.6524 41.2980 179.3475 165 L 3.9764 7.8254 119.5350 57.9658 42.0166 179.0224 166 G 3.6457 7.8232 105.2274 47.4225 0.0000 175.4917 167 V 3.7545 7.4839 120.1394 65.8334 31.4718 179.3040 168 R 3.7193 7.4329 115.2730 56.5713 28.1588 178.7445 *170 V 4.0579 7.9468 123.4006 63.5514 33.6001 178.3016 171 K 4.0335 7.9919 120.8869 56.7268 31.7070 179.3166 172 L 4.6539 7.5772 117.5553 54.0955 43.1601 175.7599 173 K 4.1973 8.3837 121.9372 58.4796 31.9162 176.5249 174 Y 4.1112 7.4399 122.6902 59.7249 38.8466 176.4502 175 K 4.9782 7.7387 120.2516 53.3248 34.9018 176.7070 176 E 4.8943 8.8806 112.1114 56.2362 33.8979 172.9097 177 I 3.6399 8.7626 118.7980 64.8145 35.5140 178.6244 178 N 4.6323 8.3357 118.6870 55.5143 38.1804 178.9739 179 D 4.7760 7.4169 121.1650 51.8056 37.4287 175.3437 180 F 4.6695 7.8023 123.7071 57.2242 41.1410 173.4964 181 D 4.8618 8.5363 130.1984 53.0901 42.7564 177.0255 182 E 4.5530 8.6384 117.2381 59.5977 29.7687 178.7269 183 S 4.3409 8.0228 114.6983 61.0587 63.2964 175.8570 184 D 3.9031 7.3972 122.2687 57.2334 40.1343 178.1351 185 Y 4.2908 7.7455 116.5656 60.6306 38.1972 177.3228 186 E 3.9985 8.0879 119.8190 60.0805 29.4710 178.2885 187 D 4.2773 8.4511 117.7964 57.3091 40.9161 178.0970 188 L 3.7420 7.8701 118.8206 58.2875 41.9652 178.7265 189 D 4.6303 8.4710 120.2490 57.0155 41.5290 178.9659 190 K 4.1822 8.5063 118.9988 59.2416 32.0080 179.7607 191 N 4.6203 8.3547 116.1663 53.5710 38.0705 177.0942 *193 C 4.4399 8.0677 118.0387 60.2290 30.3316 176.5224 194 K 4.1402 7.7696 117.8375 59.6091 31.6602 178.6985 195 V 3.6710 7.6883 116.5701 65.9977 31.7225 177.3072 196 A 4.2941 8.0647 119.9373 55.4648 17.8626 179.6451 197 G 3.8779 9.0149 101.9722 46.2653 0.0000 174.5368 *199 F 4.7346 7.9329 123.9827 57.9583 41.2937 176.9403 200 L 3.8393 8.2901 120.5427 57.8524 41.1753 179.5010 201 K 4.4632 7.5366 118.8400 58.2596 32.2308 177.8159 202 E 4.1237 7.6791 117.8434 57.7374 29.8314 176.6336 203 I 4.5210 7.6978 116.8271 60.6931 39.9151 176.6213 204 Q 4.1179 7.9881 119.4561 58.2135 28.4323 177.2241 205 T 3.5969 7.9558 119.3613 63.7580 67.8634 171.3228 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 10 D 8.35 4.71 0.00 2.69 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 11 G 7.60 4.90 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 12 K 8.43 3.90 0.00 1.70 1.62 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.53 7.81 13 L 7.95 3.74 0.00 1.83 1.76 1.09 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.21 3.96 0.00 2.30 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 2.42 2.50 0.00 15 L 7.59 3.93 0.00 1.81 1.66 0.93 0.80 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 16 I 8.07 3.63 2.07 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.67 0.88 0.00 0.00 17 I 8.41 3.60 2.03 0.00 0.00 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 1.63 0.61 0.92 0.00 0.00 18 N 8.26 4.25 0.00 2.77 2.81 0.00 0.00 6.89 6.64 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 19 A 7.86 3.85 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 20 A 8.00 3.29 1.08 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 0.00 0.00 21 Q 8.16 3.89 0.00 2.14 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 22 K 7.98 3.94 0.00 1.92 1.76 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.62 7.81 23 R 7.77 4.00 0.00 1.52 1.90 0.00 3.22 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 24 F 8.18 4.91 0.00 2.99 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 25 A 8.16 3.98 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 26 H 8.21 4.03 0.00 2.74 2.14 0.00 5.79 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 8.59 4.87 0.00 3.09 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.41 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.28 4.16 0.00 1.49 1.46 0.74 -0.36 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 30 C 8.08 4.02 0.00 2.94 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.00 4.13 0.00 1.87 1.88 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.46 7.81 32 T 7.28 4.54 4.68 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 1.22 0.00 0.00 33 T 8.14 4.43 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 1.23 0.00 0.00 *35 N 8.76 4.67 0.00 2.88 2.87 0.00 0.00 6.87 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 36 E 8.04 3.88 0.00 2.17 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 37 I 7.74 3.61 1.77 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 1.28 1.21 0.75 0.00 0.00 38 A 7.87 3.91 1.24 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 0.00 0.00 39 S 7.96 4.19 0.00 4.10 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 40 D 7.59 4.29 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 41 V 7.47 3.82 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 0.64 0.00 0.00 1.03 0.00 0.00 42 G 7.58 3.46 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 0.00 *44 G 7.41 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 0.00 0.00 0.00 45 K 8.42 4.08 0.00 1.77 1.57 0.00 2.04 0.00 0.00 1.85 0.00 0.00 3.14 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.50 7.81 46 A 8.05 4.19 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 47 S 9.42 4.30 0.00 4.20 4.18 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 48 L 7.99 4.22 0.00 1.75 1.66 1.02 0.86 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 49 Y 8.06 5.64 0.00 3.13 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 50 Y 7.81 4.11 0.00 2.86 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 51 Y 7.94 4.13 0.00 3.23 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 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0.00 0.00 0.00 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 2.69 0.00 61 A 8.04 4.06 1.56 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 62 V 8.07 3.60 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 0.95 0.00 0.00 1.05 0.00 0.00 63 I 7.86 3.66 2.16 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 1.91 1.33 1.03 0.00 0.00 64 K 8.78 4.08 0.00 1.84 1.96 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.69 7.81 65 K 8.74 4.01 0.00 1.81 1.96 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.49 7.81 66 E 7.84 3.99 0.00 2.19 2.11 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 2.30 2.48 0.00 67 Q 8.53 4.22 0.00 2.45 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.20 2.68 0.00 68 N 8.53 4.75 0.00 3.03 3.03 0.00 0.00 6.64 6.97 0.00 0.00 0.00 0.00 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0.00 2.68 2.71 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 *112 F 7.74 4.31 0.00 2.29 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 0.00 0.00 0.00 0.00 *116 T 7.45 4.10 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 1.18 0.00 0.00 117 K 7.78 4.84 0.00 2.18 1.82 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.49 1.46 7.81 118 P 0.00 4.28 0.00 2.28 2.31 0.00 3.78 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 119 V 7.85 3.46 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 0.59 0.00 0.00 0.90 0.00 0.00 120 F 8.06 4.16 0.00 3.18 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 A 8.08 4.06 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 0.00 122 K 7.94 4.01 0.00 2.02 1.92 0.00 1.67 0.00 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0.00 2.54 0.00 0.00 0.00 0.00 1.30 1.37 7.81 131 E 8.67 3.87 0.00 1.94 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 2.39 2.47 0.00 132 V 7.70 3.49 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 0.72 0.00 0.00 0.88 0.00 0.00 133 E 7.96 3.90 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 2.56 2.47 0.00 134 I 8.05 3.78 1.90 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.95 0.77 0.00 0.00 135 V 7.81 3.37 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 0.99 0.00 0.00 0.32 0.00 0.00 136 A 8.55 4.20 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 0.00 137 G 8.11 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 0.00 0.00 0.00 138 I 7.60 3.94 2.06 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 1.70 0.85 1.11 0.00 0.00 139 I 8.28 4.14 2.14 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.90 1.04 0.00 0.00 140 Q 8.54 4.04 0.00 2.33 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 141 Y 8.33 4.37 0.00 2.99 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 0.00 142 G 8.28 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 0.00 0.00 0.00 143 I 8.64 4.42 2.11 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.83 0.94 0.00 0.00 144 T 7.97 3.84 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 1.31 0.00 0.00 145 T 8.36 3.81 3.84 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 0.89 0.00 0.00 146 K 7.67 4.04 0.00 1.91 1.91 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.64 7.81 147 E 8.19 4.05 0.00 1.16 1.67 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 2.13 1.97 0.00 148 F 7.12 6.14 0.00 2.91 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 K 8.64 4.39 0.00 1.72 1.73 0.00 1.64 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.54 1.46 7.81 150 R 8.59 4.43 0.00 1.85 1.87 0.00 3.21 0.00 0.00 3.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 151 G 9.02 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 0.00 152 N 8.56 4.67 0.00 2.77 2.75 0.00 0.00 6.94 6.08 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 0.00 153 K 8.68 3.91 0.00 2.09 2.14 0.00 1.74 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.56 1.59 7.81 154 H 8.30 4.18 0.00 3.24 3.51 0.00 5.68 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 0.00 155 E 8.57 3.91 0.00 2.11 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 2.28 2.36 0.00 156 N 8.17 4.52 0.00 3.23 3.22 0.00 0.00 6.96 7.98 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 0.00 157 A 8.14 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 0.00 158 E 8.06 3.74 0.00 2.27 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 2.22 2.25 0.00 159 F 8.20 4.28 0.00 3.28 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 0.00 160 L 7.98 3.28 0.00 0.27 1.29 0.91 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 161 V 7.67 3.56 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 1.04 0.00 0.00 0.96 0.00 0.00 162 H 8.63 4.25 0.00 3.29 3.29 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 L 8.21 3.75 0.00 1.53 1.47 0.44 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 164 L 7.89 3.87 0.00 1.70 1.57 0.77 0.33 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 0.00 165 L 7.83 3.98 0.00 1.63 1.88 1.02 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 166 G 7.82 3.65 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 0.00 0.00 0.00 167 V 7.48 3.75 2.14 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 0.94 0.00 0.00 0.90 0.00 0.00 168 R 7.43 3.72 0.00 1.68 1.02 0.00 2.21 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 1.34 0.00 *170 V 7.95 4.06 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 1.06 0.00 0.00 1.02 0.00 0.00 171 K 7.99 4.03 0.00 1.76 1.80 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.37 1.28 7.81 172 L 7.58 4.65 0.00 1.68 1.70 1.01 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 173 K 8.38 4.20 0.00 2.05 2.06 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.46 7.81 174 Y 7.44 4.11 0.00 3.42 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 0.00 175 K 7.74 4.98 0.00 1.89 1.57 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.26 1.20 7.81 176 E 8.88 4.89 0.00 1.83 1.76 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 2.13 2.10 0.00 177 I 8.76 3.64 1.87 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 1.27 1.09 0.91 0.00 0.00 178 N 8.34 4.63 0.00 2.74 2.75 0.00 0.00 6.55 8.06 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 0.00 179 D 7.42 4.78 0.00 2.78 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 0.00 180 F 7.80 4.67 0.00 3.08 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 0.00 181 D 8.54 4.86 0.00 2.81 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 0.00 182 E 8.64 4.55 0.00 2.25 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 2.40 2.34 0.00 183 S 8.02 4.34 0.00 4.02 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 D 7.40 3.90 0.00 1.93 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 0.00 0.00 0.00 0.00 185 Y 7.75 4.29 0.00 3.01 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 0.00 186 E 8.09 4.00 0.00 2.12 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 0.00 2.37 2.57 0.00 187 D 8.45 4.28 0.00 2.71 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 0.00 188 L 7.87 3.74 0.00 1.98 1.82 1.34 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 189 D 8.47 4.63 0.00 2.69 2.76 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 0.00 190 K 8.51 4.18 0.00 1.90 1.84 0.00 1.86 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.51 7.81 191 N 8.35 4.62 0.00 2.95 2.78 0.00 0.00 6.95 7.62 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 *193 C 8.07 4.44 0.00 3.16 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 K 7.77 4.14 0.00 1.93 1.88 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.65 7.81 195 V 7.69 3.67 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 0.70 0.00 0.00 0.96 0.00 0.00 196 A 8.06 4.29 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 0.00 197 G 9.01 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 0.00 0.00 0.00 *199 F 7.93 4.73 0.00 3.13 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 0.00 200 L 8.29 3.84 0.00 1.96 1.75 1.02 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 201 K 7.54 4.46 0.00 1.75 1.84 0.00 1.65 0.00 0.00 1.49 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.52 7.81 202 E 7.68 4.12 0.00 1.95 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 2.19 2.18 0.00 203 I 7.70 4.52 1.47 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.23 0.81 0.00 0.00 204 Q 7.99 4.12 0.00 2.28 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 5.60 0.00 0.00 0.00 0.00 0.00 2.56 2.43 0.00 205 T 7.96 3.60 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 1.22 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.