NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3535 8.3049 120.3498 55.5268 32.8776 175.1571 2 S 4.4477 8.4464 122.7207 57.1891 64.5888 172.3523 3 D 4.5433 8.4351 119.6483 54.8247 42.2022 176.9040 4 K 3.9309 7.6308 120.9392 55.5428 33.0363 176.2848 5 F 4.9442 8.1207 124.4924 57.9930 40.6338 173.4885 6 H 5.4446 9.9957 122.0007 54.5909 32.6731 172.1602 7 I 5.0072 8.9592 126.7372 59.4037 40.3003 174.1249 8 L 4.9314 8.6755 128.6184 53.3307 44.2639 174.5106 9 L 5.1596 9.1772 129.2936 53.6659 43.9180 174.8151 10 L 5.3472 9.3123 126.5785 52.9947 45.0528 175.1392 11 N 5.3388 9.1773 120.9403 51.6770 41.7113 175.3102 12 G 4.0752 8.8657 114.8614 43.9895 0.0000 171.3438 13 P 4.3532 0.0000 0.0000 64.0143 31.8985 177.3127 14 N 4.4269 9.4877 116.4511 53.8601 37.9186 176.4862 15 L 4.1129 7.4590 118.5653 57.0180 41.8616 178.8516 16 N 4.4378 8.0771 115.1131 55.1870 37.4719 175.8302 17 L 4.1549 7.9256 118.4793 55.5878 42.1489 176.7681 18 L 4.0411 7.5465 119.8252 56.7943 41.8465 178.2847 19 G 4.0218 9.0878 111.5114 45.5203 0.0000 173.5885 20 T 4.2046 7.6326 108.7335 61.8030 70.1212 174.7944 21 R 3.9868 7.7706 122.5773 56.4177 31.1323 176.3678 22 E 3.7603 8.7598 124.9609 56.4576 27.0920 173.7765 23 P 4.0886 0.0000 0.0000 64.7519 31.9432 179.2620 24 E 4.3291 8.0936 115.5959 58.5533 29.4487 177.7337 25 K 4.3976 8.0678 115.4870 56.2916 33.4131 176.1758 26 Y 4.4925 8.0376 113.7619 56.4550 40.0724 175.9715 27 G 4.1263 8.4454 107.3888 45.4721 0.0000 173.8067 28 Y 4.4948 8.3605 115.7185 57.6446 38.7500 176.4874 29 T 4.1968 7.9592 118.3323 63.8379 69.1813 174.6068 30 T 4.8217 8.4663 118.6948 59.3988 72.0949 175.6895 31 L 3.8398 8.2761 122.6082 58.1710 42.0882 178.8007 32 A 3.9286 7.9401 120.2519 55.3417 18.3278 179.3319 33 E 3.8963 8.1183 116.9244 59.4605 29.5163 179.6974 34 I 3.5751 7.5869 119.7979 64.3025 37.0741 178.6937 35 V 3.4059 7.7421 119.4134 65.8558 31.4483 178.2260 36 S 4.2506 8.1431 114.1277 61.5847 62.8278 176.5030 37 Q 3.9639 8.0654 121.7082 58.6226 28.3493 178.5357 38 L 3.9839 7.9006 121.3486 57.9991 42.0266 178.8826 39 E 3.9689 8.4140 119.0001 59.3013 29.3397 179.3582 40 I 3.6940 7.6682 119.5864 64.3058 36.6452 178.2102 41 Q 3.9295 8.1982 120.1697 59.1351 28.9208 178.1749 42 A 4.0377 8.2876 122.0106 55.2485 18.3724 179.3782 43 Q 4.0668 8.3218 116.7794 59.3808 28.6501 179.7165 44 G 3.7362 8.0791 104.9496 47.5749 0.0000 174.5695 45 M 4.3112 7.6932 117.5299 54.0983 32.9837 175.2416 46 D 4.4249 8.3257 118.3710 55.4308 40.3580 173.2065 47 V 4.7545 7.8347 115.6132 60.9314 35.0854 174.9202 48 A 4.5395 9.0043 128.9883 51.3459 20.2436 176.0796 49 L 5.2347 8.4625 122.6101 53.5586 44.9850 175.7191 50 S 5.0268 9.1169 122.2346 57.2694 65.8392 172.6785 51 H 5.5051 8.6070 120.9583 54.6230 33.1987 172.2474 52 L 4.5358 8.6179 125.5088 53.4890 45.6575 174.2508 53 Q 5.1333 8.4895 126.7514 54.5417 31.3666 174.2716 54 S 4.6984 8.6657 119.2060 57.4494 65.5431 173.7558 55 N 4.4728 8.9919 121.3716 53.6040 39.1969 174.7989 56 A 4.6413 7.9937 123.3618 50.4167 20.2513 177.3696 57 E 3.7809 9.1218 124.5329 59.9010 29.4912 178.7046 58 H 4.1916 8.1330 114.3006 58.4902 28.6069 177.3461 59 A 3.9127 7.4840 123.2235 54.9257 18.2019 179.6190 60 L 3.9422 7.7951 117.0495 57.8712 41.6770 179.6307 61 I 3.5798 7.7150 119.7530 64.4953 36.9608 178.2231 62 D 4.2419 8.3419 120.0921 57.3207 40.3679 178.8575 63 S 4.0675 7.8329 112.8676 61.2916 62.8118 175.9808 64 I 3.8344 7.7280 122.4840 64.7691 36.7574 178.0303 65 H 4.2595 8.3399 117.2117 59.1399 28.3836 177.6115 66 Q 4.1937 8.2619 117.5580 57.7261 28.8963 177.8081 67 A 4.4525 7.7804 123.0460 52.4697 18.3941 177.5596 68 R 3.9562 7.0860 116.4109 58.2656 30.4223 177.2316 69 G 4.0323 9.2737 110.3357 45.7853 0.0000 173.2253 70 N 5.0548 8.4044 114.2408 52.0481 39.1756 173.9480 71 T 4.8300 7.8466 115.4982 62.1772 71.4537 173.3595 72 D 4.7620 9.1772 126.2234 56.1888 42.0665 176.5428 73 F 4.6533 7.8712 118.0173 57.1578 43.0329 172.5252 74 I 5.1665 8.3377 125.5996 59.5676 40.1904 174.3299 75 L 5.2961 9.1376 127.1719 53.1081 44.0706 175.3411 76 I 4.9978 8.9482 124.0549 59.3599 41.5349 173.4444 77 N 5.6636 9.5169 129.4504 50.8603 39.2683 173.3751 78 P 4.5034 0.0000 0.0000 62.7622 33.3400 177.6898 79 A 3.4686 7.9865 123.1769 52.9371 18.1023 179.8634 80 A 4.2220 8.4601 116.2958 56.8962 18.7345 179.7325 81 F 4.8417 7.9041 115.4597 59.9679 38.7906 177.4555 82 T 3.9857 8.1040 113.2242 65.0180 66.8643 175.0297 83 H 5.1377 8.2476 117.5176 56.2186 29.0482 175.9062 84 T 4.7033 7.9515 108.5310 60.8340 70.6012 172.9889 85 S 4.2888 8.2439 117.1401 56.7236 61.8094 174.2028 86 V 3.1873 7.6131 128.5210 65.2610 31.4294 177.1534 87 A 3.8849 7.7283 120.2705 55.0265 18.2057 179.4654 88 L 3.8242 7.9052 117.4780 57.7584 41.6363 179.4286 89 R 3.8638 7.6533 118.5125 59.8668 29.9100 178.3122 90 D 4.3480 8.3499 118.0391 56.7131 40.8705 178.7221 91 A 3.9973 7.8867 121.7814 55.1494 18.4097 179.6508 92 L 3.8961 7.9183 117.5319 57.9420 41.4335 179.8172 93 L 4.1539 8.0219 118.1731 57.6597 41.6003 179.4873 94 G 3.6987 8.1977 105.1707 47.4982 0.0000 175.2968 95 V 3.9392 7.6353 118.1318 62.1303 31.9961 175.6154 96 Q 3.4548 7.8271 115.9517 56.9195 26.8465 173.2866 97 I 4.2956 7.6462 117.5770 58.8341 38.7408 174.3142 98 P 4.4357 0.0000 0.0000 62.9969 32.4656 175.1068 99 F 5.7315 7.8074 114.5215 54.8885 41.9278 172.8408 100 I 4.9062 8.6958 119.9064 59.6089 40.2320 173.9474 101 E 5.1037 8.9100 127.4359 55.0105 31.6476 174.6308 102 I 4.8357 8.6785 127.0449 59.7905 41.1067 174.0642 103 H 5.0141 9.0005 123.5318 53.9023 31.9253 174.7165 104 L 4.1054 8.8452 123.1673 57.4985 42.4998 177.6939 105 S 4.7492 7.8972 111.0980 56.4217 65.2436 173.4424 106 N 4.5261 8.3322 119.5622 52.8884 37.6700 175.8904 107 V 3.7815 8.0955 119.5486 63.6005 31.9108 177.3111 108 H 4.0795 8.3510 115.7268 56.8721 28.8265 175.6476 109 A 4.5808 7.8252 121.4178 51.8772 19.3398 177.6137 110 R 4.8049 7.2229 116.8711 55.6885 32.0362 175.5192 111 E 4.0199 8.2512 120.2337 56.7420 30.3287 176.1787 112 P 4.2719 0.0000 0.0000 65.5936 31.0268 179.0034 113 F 4.3750 8.0558 112.9140 59.5766 37.5242 176.7744 114 R 3.7799 7.1746 116.6384 57.4964 30.0057 177.6514 115 H 4.2429 8.0086 116.2936 57.1309 28.8149 174.9018 116 H 4.5705 7.6103 121.2897 55.1628 30.6237 173.8767 117 S 4.7396 7.6915 119.3830 57.0937 65.3012 173.0284 118 Y 4.6519 9.0478 123.3122 58.4414 38.4444 176.7231 119 L 4.8323 8.1852 120.7918 55.8353 43.2475 178.6740 120 S 4.4096 8.3696 115.2931 60.7606 62.6815 175.8936 121 D 4.1833 8.1807 121.3446 54.9264 39.5745 177.2032 122 I 4.2777 7.5147 112.1395 59.8411 38.6863 175.6674 123 A 2.7018 6.6290 123.5668 51.3383 19.0397 177.7937 124 V 3.6357 7.9919 121.6450 65.8551 32.1875 175.9722 125 G 4.1742 7.4554 104.7373 45.5255 0.0000 171.4656 126 V 5.1706 8.1646 118.5001 61.1095 34.7812 174.5447 127 I 4.7690 8.9787 128.0282 59.6322 40.2192 174.2764 128 C 5.5390 7.9407 120.6664 56.4781 32.7094 174.6426 129 G 3.9285 9.1752 108.0603 45.9450 0.0000 173.7892 130 L 4.5307 7.8160 117.4745 53.6422 42.7435 178.5317 131 G 3.8381 8.1506 108.6662 45.6158 0.0000 174.6151 132 A 4.2356 8.6791 119.0582 55.6627 18.1824 179.5286 133 D 4.0996 8.2553 116.9328 57.3816 40.7056 179.0395 134 G 3.6500 8.1299 106.2319 47.9351 0.0000 175.4085 135 Y 4.0200 7.9696 118.8549 60.8131 37.9321 177.7129 136 N 4.4585 7.9804 118.7883 56.2865 38.9137 176.7197 137 F 4.5159 7.8445 118.8375 60.5307 38.9135 177.5872 138 A 4.0348 8.3238 120.6275 54.9714 18.1593 179.4856 139 L 3.8498 8.0848 118.8919 58.2933 42.1148 179.1498 140 Q 3.9682 8.2121 117.7699 58.9461 28.6980 178.6670 141 A 3.8827 8.3432 121.8236 55.0240 18.3439 179.4460 142 A 2.7843 7.7408 119.1813 55.0399 18.2999 180.1096 143 V 3.2947 7.5971 116.6252 65.9969 31.3432 177.9018 144 N 4.2765 8.1201 115.7211 56.4741 38.4544 177.3180 145 R 4.0277 7.9231 119.3609 59.2083 29.9260 179.1662 146 L 3.8201 7.5996 117.9490 57.5753 41.5263 179.3064 147 S 4.5069 7.9827 113.8493 60.4037 62.8792 174.9808 148 K 4.3064 7.5619 125.7348 56.6466 31.9379 176.4383 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 4.35 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.59 0.00 2 S 8.45 4.45 0.00 3.97 3.77 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 3 D 8.44 4.54 0.00 2.56 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.63 3.93 0.00 1.65 1.68 0.00 2.00 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.46 7.81 5 F 8.12 4.94 0.00 3.09 2.86 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 6 H 10.00 5.44 0.00 3.21 3.34 0.00 5.55 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.96 5.01 1.92 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 1.20 0.64 1.06 0.00 0.00 8 L 8.68 4.93 0.00 1.75 1.53 0.99 0.19 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 9 L 9.18 5.16 0.00 1.84 1.75 1.26 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 10 L 9.31 5.35 0.00 1.57 1.53 0.89 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 11 N 9.18 5.34 0.00 2.68 2.74 0.00 0.00 6.58 8.45 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 12 G 8.87 4.08 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 0.00 13 P 0.00 4.35 0.00 1.92 1.76 0.00 3.48 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.44 0.00 14 N 9.49 4.43 0.00 2.87 2.97 0.00 0.00 7.07 6.37 0.00 0.00 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 7.46 4.11 0.00 1.80 1.74 1.07 0.55 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 16 N 8.08 4.44 0.00 2.81 3.13 0.00 0.00 6.09 7.79 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 17 L 7.93 4.15 0.00 1.79 1.69 0.88 0.36 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 18 L 7.55 4.04 0.00 1.73 1.80 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 19 G 9.09 4.02 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 0.00 0.00 0.00 20 T 7.63 4.20 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 1.21 0.00 0.00 21 R 7.77 3.99 0.00 1.62 1.60 0.00 3.10 0.00 0.00 2.69 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.47 0.00 22 E 8.76 3.76 0.00 2.50 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 2.38 2.35 0.00 23 P 0.00 4.09 0.00 1.25 0.51 0.00 3.78 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.99 0.00 24 E 8.09 4.33 0.00 1.98 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 25 K 8.07 4.40 0.00 1.63 1.55 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.35 7.81 26 Y 8.04 4.49 0.00 3.08 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.45 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 0.00 0.00 0.00 0.00 28 Y 8.36 4.49 0.00 2.95 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 29 T 7.96 4.20 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 1.21 0.00 0.00 30 T 8.47 4.82 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 1.28 0.00 0.00 31 L 8.28 3.84 0.00 1.91 1.67 0.80 0.93 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 32 A 7.94 3.93 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 33 E 8.12 3.90 0.00 2.18 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 2.31 2.34 0.00 34 I 7.59 3.58 1.73 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.01 0.39 0.00 0.00 35 V 7.74 3.41 1.91 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 0.98 0.00 0.00 0.51 0.00 0.00 36 S 8.14 4.25 0.00 4.06 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 0.00 37 Q 8.07 3.96 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 38 L 7.90 3.98 0.00 1.83 1.70 1.03 0.78 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 39 E 8.41 3.97 0.00 2.20 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 2.33 2.46 0.00 40 I 7.67 3.69 2.00 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 1.40 0.73 0.91 0.00 0.00 41 Q 8.20 3.93 0.00 2.12 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 42 A 8.29 4.04 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.32 4.07 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.39 2.64 0.00 44 G 8.08 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 45 M 7.69 4.31 0.00 2.07 2.25 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.55 0.00 46 D 8.33 4.42 0.00 2.72 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 47 V 7.83 4.75 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 0.97 0.00 0.00 1.21 0.00 0.00 48 A 9.00 4.54 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.46 5.23 0.00 1.64 1.55 1.04 0.91 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 50 S 9.12 5.03 0.00 3.90 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 51 H 8.61 5.51 0.00 3.09 3.11 0.00 5.69 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 52 L 8.62 4.54 0.00 1.71 1.36 0.88 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 8.49 5.13 0.00 2.11 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.47 0.00 0.00 0.00 0.00 0.00 2.41 2.27 0.00 54 S 8.67 4.70 0.00 3.87 3.67 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 55 N 8.99 4.47 0.00 2.76 2.83 0.00 0.00 6.85 7.35 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 56 A 7.99 4.64 1.16 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 0.00 0.00 57 E 9.12 3.78 0.00 1.31 1.75 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 2.11 1.77 0.00 58 H 8.13 4.19 0.00 3.34 3.50 0.00 5.51 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 A 7.48 3.91 1.26 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 60 L 7.80 3.94 0.00 1.84 1.73 1.14 0.98 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 61 I 7.71 3.58 1.91 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 1.41 0.72 0.69 0.00 0.00 62 D 8.34 4.24 0.00 2.83 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 63 S 7.83 4.07 0.00 3.92 4.01 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 64 I 7.73 3.83 1.96 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.90 0.88 0.00 0.00 65 H 8.34 4.26 0.00 3.30 3.34 0.00 5.63 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 66 Q 8.26 4.19 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.02 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 67 A 7.78 4.45 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 68 R 7.09 3.96 0.00 1.85 1.94 0.00 3.23 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 69 G 9.27 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 70 N 8.40 5.05 0.00 2.95 3.01 0.00 0.00 6.70 7.24 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 71 T 7.85 4.83 4.38 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 1.29 0.00 0.00 72 D 9.18 4.76 0.00 2.72 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 73 F 7.87 4.65 0.00 3.03 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 74 I 8.34 5.17 1.90 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.58 0.97 0.00 0.00 75 L 9.14 5.30 0.00 1.71 1.71 1.04 0.74 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 76 I 8.95 5.00 1.86 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.88 0.97 0.00 0.00 77 N 9.52 5.66 0.00 2.70 3.04 0.00 0.00 6.83 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 78 P 0.00 4.50 0.00 2.43 2.32 0.00 3.81 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 2.10 0.00 79 A 7.99 3.47 1.17 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 0.00 0.00 80 A 8.46 4.22 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 81 F 7.90 4.84 0.00 3.26 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 82 T 8.10 3.99 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 83 H 8.25 5.14 0.00 3.41 3.51 0.00 5.61 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 7.95 4.70 4.36 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 1.37 0.00 0.00 85 S 8.24 4.29 0.00 3.65 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 86 V 7.61 3.19 1.79 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 0.87 0.00 0.00 -0.08 0.00 0.00 87 A 7.73 3.88 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 88 L 7.91 3.82 0.00 1.63 1.63 0.92 0.58 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 89 R 7.65 3.86 0.00 1.99 2.11 0.00 3.31 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 90 D 8.35 4.35 0.00 2.67 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 91 A 7.89 4.00 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 92 L 7.92 3.90 0.00 1.72 1.63 0.13 0.21 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 93 L 8.02 4.15 0.00 1.62 1.74 0.95 0.88 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 94 G 8.20 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 95 V 7.64 3.94 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 0.89 0.00 0.00 1.06 0.00 0.00 96 Q 7.83 3.45 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.41 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 97 I 7.65 4.30 1.84 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.71 0.84 0.00 0.00 98 P 0.00 4.44 0.00 1.32 1.96 0.00 3.51 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.87 0.00 99 F 7.81 5.73 0.00 3.13 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 0.00 100 I 8.70 4.91 2.08 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 1.32 1.05 0.96 0.00 0.00 101 E 8.91 5.10 0.00 2.32 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 2.29 2.35 0.00 102 I 8.68 4.84 1.53 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 1.05 0.74 0.25 0.00 0.00 103 H 9.00 5.01 0.00 3.00 3.14 0.00 5.62 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 8.85 4.11 0.00 1.65 1.76 1.02 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 105 S 7.90 4.75 0.00 3.99 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 0.00 106 N 8.33 4.53 0.00 2.74 2.77 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 0.00 107 V 8.10 3.78 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 0.71 0.00 0.00 0.80 0.00 0.00 108 H 8.35 4.08 0.00 3.26 3.28 0.00 5.66 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.83 4.58 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 0.00 110 R 7.22 4.80 0.00 1.62 1.65 0.00 3.20 0.00 0.00 3.16 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.69 0.00 111 E 8.25 4.02 0.00 1.16 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 2.46 2.34 0.00 112 P 0.00 4.27 0.00 2.17 2.06 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 113 F 8.06 4.38 0.00 3.20 3.30 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 0.00 114 R 7.17 3.78 0.00 1.70 1.82 0.00 2.91 0.00 0.00 3.11 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.50 0.00 115 H 8.01 4.24 0.00 3.23 3.30 0.00 5.84 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.61 4.57 0.00 3.15 3.18 0.00 5.54 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.69 4.74 0.00 3.79 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 Y 9.05 4.65 0.00 3.04 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 0.00 119 L 8.19 4.83 0.00 1.97 1.97 0.93 0.60 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 0.00 120 S 8.37 4.41 0.00 4.06 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 0.00 121 D 8.18 4.18 0.00 2.87 2.86 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 0.00 122 I 7.51 4.28 1.99 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 1.69 1.16 0.98 0.00 0.00 123 A 6.63 2.70 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 V 7.99 3.64 2.20 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 0.79 0.00 0.00 0.85 0.00 0.00 125 G 7.46 4.17 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 0.00 0.00 0.00 126 V 8.16 5.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.93 0.00 0.00 127 I 8.98 4.77 1.87 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 1.31 0.70 0.98 0.00 0.00 128 C 7.94 5.54 0.00 3.08 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 G 9.18 3.93 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 0.00 0.00 0.00 130 L 7.82 4.53 0.00 1.74 1.85 1.07 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 131 G 8.15 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 0.00 0.00 0.00 0.00 132 A 8.68 4.24 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 0.00 133 D 8.26 4.10 0.00 2.79 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 0.00 0.00 0.00 134 G 8.13 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 0.00 135 Y 7.97 4.02 0.00 3.08 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 0.00 136 N 7.98 4.46 0.00 2.58 2.53 0.00 0.00 7.70 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 0.00 137 F 7.84 4.52 0.00 3.11 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 0.00 138 A 8.32 4.03 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 139 L 8.08 3.85 0.00 1.90 1.88 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 140 Q 8.21 3.97 0.00 2.38 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.43 2.79 0.00 141 A 8.34 3.88 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 0.00 142 A 7.74 2.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 V 7.60 3.29 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 1.18 0.00 0.00 0.98 0.00 0.00 144 N 8.12 4.28 0.00 2.82 2.82 0.00 0.00 7.10 7.41 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 0.00 145 R 7.92 4.03 0.00 1.85 1.96 0.00 3.11 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 146 L 7.60 3.82 0.00 0.84 0.28 0.46 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 147 S 7.98 4.51 0.00 4.03 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 K 7.56 4.31 0.00 1.83 1.73 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.21 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.66 7.81