NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.1043 8.0093 120.7842 59.7692 39.1099 175.2341 4 P 4.1634 0.0000 0.0000 62.3993 31.6202 174.7267 5 Q 4.1371 8.3715 120.6872 56.2901 30.2643 177.0397 6 T 4.7003 8.0232 111.4528 60.2281 71.0874 174.0121 7 M 4.2323 8.7094 123.2575 56.0840 32.8386 175.6185 8 Q 4.3915 8.6668 123.9366 55.3491 30.6016 175.0613 9 D 4.3743 8.7553 120.2165 54.8662 38.2985 174.2274 10 L 4.0326 8.2000 120.3105 55.7682 42.5944 176.2039 11 D 4.6626 9.4934 127.2680 52.6457 40.1805 176.1824 12 L 4.1232 8.3166 127.4904 57.9536 42.2393 178.2255 13 Q 4.1113 8.0881 117.3087 58.6013 28.4654 177.8207 14 E 4.1576 7.9906 118.0296 57.8738 29.5836 178.3030 15 V 4.4335 7.6862 111.2223 60.6315 32.4025 176.1541 16 A 4.3376 7.0663 122.7517 53.6094 19.4540 177.2775 17 G 3.8485 8.7714 105.3516 44.2286 0.0000 172.4568 18 T 4.6528 7.9694 116.8624 62.9366 69.3749 174.5110 19 W 5.1908 8.4820 124.4135 55.1669 33.6313 174.1072 20 Y 4.8498 9.3903 118.4944 56.2910 41.4419 175.5811 21 S 4.6639 8.9883 119.2757 58.4819 62.7747 173.6033 22 L 4.5202 9.2765 128.9589 57.2037 43.3029 176.3061 23 A 5.2036 7.5764 117.9702 50.7818 23.0462 174.9813 24 M 5.4147 9.1745 118.0112 53.8212 36.8100 174.4842 25 A 5.2535 9.3849 122.1125 50.8753 23.3622 174.9262 26 A 5.0736 8.7730 120.2597 50.5007 22.6426 177.7574 27 S 4.5612 8.9952 115.0079 59.8449 64.1433 174.2437 28 D 4.9374 7.9016 120.0690 51.8583 43.5340 176.0285 29 I 3.7539 8.6755 127.7002 64.5957 37.3140 178.3666 30 S 4.2218 8.3319 113.6480 61.0592 62.9588 175.7257 31 L 4.1627 7.9402 120.6668 56.7682 41.7618 178.1395 32 L 4.7006 7.8560 115.6110 54.0422 43.5167 177.6307 33 D 4.5027 8.2242 117.6887 56.1093 41.4881 175.0279 34 S 4.7771 7.6281 111.5447 56.9373 66.2326 174.4167 35 E 4.2705 8.8441 119.0237 58.2326 29.2544 177.9894 36 S 4.6477 7.4162 112.2051 57.6475 63.7201 174.3064 37 A 4.2196 7.7792 125.1263 51.4376 18.7821 177.1739 38 P 4.2286 0.0000 0.0000 65.6737 30.9952 177.2416 39 L 4.5124 7.9613 115.5014 54.1589 41.9414 177.8589 40 R 4.0840 7.5458 120.7475 55.3071 27.9300 174.6923 41 V 4.6341 7.3656 113.1800 59.0434 35.4345 174.1702 42 Y 4.5964 8.9209 122.6956 56.0566 40.0508 175.2961 43 V 4.1145 8.8175 126.1833 62.9440 31.8625 175.3204 44 E 4.6532 9.3283 125.5670 57.2318 32.3026 175.3840 45 E 5.1604 7.9213 118.8774 54.7221 33.6282 173.5825 46 L 4.9158 8.8824 125.3906 53.0993 44.3789 175.8229 47 K 4.7450 9.1678 124.0883 53.2273 32.6339 173.7106 48 P 4.8291 0.0000 0.0000 62.7894 32.4503 175.4126 49 T 4.6112 8.3973 112.2824 59.2205 71.2834 173.5895 50 P 4.2089 0.0000 0.0000 65.8953 31.4280 177.7946 51 E 4.0364 8.0587 115.6556 57.6627 29.6358 177.5750 52 G 4.0095 8.4651 107.3741 45.0728 0.0000 172.9946 53 D 5.0017 7.9153 120.1049 52.9141 43.9952 175.0289 54 L 4.6145 8.9325 120.8984 53.6202 44.9642 174.8273 55 E 4.6650 9.0039 128.8283 55.5630 31.4254 175.0377 56 I 4.7440 8.9167 127.1714 59.5458 40.2681 174.2479 57 L 5.0165 8.7171 127.6924 53.2167 43.6323 175.8690 58 L 5.3165 9.1702 122.7615 53.0036 46.3540 174.9566 59 Q 5.0025 9.3345 122.0977 54.8643 30.9029 175.6295 60 K 4.3732 9.3369 124.2839 57.6966 34.8468 176.6519 *67 A 4.1289 7.7560 120.1877 51.8226 20.0354 175.5930 68 Q 4.9868 8.6185 122.0544 54.8771 31.4573 174.8238 69 K 4.7487 9.0144 122.0181 54.5877 36.9795 175.2717 70 K 4.9716 8.6847 124.1812 54.7421 34.9596 175.0567 71 I 4.5646 8.7397 128.1405 59.5293 40.3961 174.4158 72 I 4.6045 8.4632 127.3629 59.5947 38.9289 174.7413 73 A 4.8228 8.8920 129.9730 50.5126 20.8167 175.4489 74 E 5.0345 9.2054 123.6453 54.9712 31.3245 176.7026 75 K 4.3649 9.3647 124.2037 57.7258 33.6391 175.9004 76 T 4.6213 7.5258 109.5586 60.5670 71.4080 173.2144 77 E 4.0002 8.9247 119.4062 58.7870 29.9546 177.2262 78 S 4.5717 7.5979 116.1896 56.2442 63.6976 173.5272 79 P 4.1376 0.0000 0.0000 64.5723 31.4600 176.8407 80 A 4.7582 7.8390 118.9926 51.5312 19.7569 174.6591 81 E 5.2022 7.6273 116.3085 54.8239 31.8466 175.6814 82 F 4.9773 9.3764 121.6767 55.6125 43.9561 173.4196 83 K 5.1639 9.2958 122.8570 54.9972 34.3697 175.2006 84 I 4.9437 8.4651 119.2981 59.0479 41.6773 174.6716 85 D 4.9925 7.9324 118.9617 51.3484 41.3153 173.5198 86 A 4.3258 8.5060 121.3401 52.4485 22.9565 176.7323 87 L 3.8534 9.2399 117.9455 55.4624 39.1798 174.5113 88 D 4.4756 8.3386 114.6876 55.4475 38.4837 173.2212 89 E 4.8693 8.2136 116.9912 54.6961 32.9936 176.0334 90 N 6.0183 8.9633 115.0268 51.3320 39.5568 173.8617 91 K 5.2525 7.9702 118.3650 54.9433 37.1496 175.0405 92 V 5.0037 9.1283 123.1667 61.1445 34.8134 174.1401 93 L 5.3001 9.3628 127.3631 52.9931 45.0994 175.5466 94 V 4.3922 9.1208 124.9344 62.1399 32.0610 176.4601 95 L 4.1714 9.1574 129.6357 57.4421 42.4291 177.0360 96 D 4.4921 7.8547 114.3307 54.5346 44.2892 174.8950 97 T 4.0228 8.1216 116.5530 61.3151 69.9237 172.6066 98 D 4.5366 7.0213 122.9838 52.7353 39.9995 176.8253 99 Y 4.3438 7.9152 123.1761 58.9008 37.0898 170.7328 100 K 4.3322 9.0302 117.1247 57.4649 33.2346 176.9350 101 N 5.1036 8.5312 113.9269 54.3752 41.9335 173.8255 102 Y 5.8381 8.6260 114.9056 55.7365 42.4260 173.7855 103 L 4.6091 9.1172 121.3861 53.7484 46.1637 174.1225 104 L 5.4895 9.3023 126.4190 53.0238 44.6251 175.5465 105 F 5.4935 8.7501 117.1440 55.8564 42.1817 172.4342 106 C 5.4095 9.4061 115.4862 55.5738 46.0022 173.1606 107 M 5.9142 9.2785 119.8378 52.9466 35.6253 174.5859 108 E 5.1732 8.4881 117.6754 55.4486 33.9052 173.4690 109 N 5.1000 9.3820 120.0860 51.9272 39.2323 175.1886 110 A 4.1734 9.3351 131.2744 54.9894 18.5467 178.0604 111 A 4.3981 7.8757 116.4867 53.4509 19.6997 178.1662 112 T 4.7640 8.0409 106.4025 59.9079 69.6344 172.7619 113 P 4.2385 0.0000 0.0000 66.2362 32.1066 179.4162 114 G 3.6231 8.1017 105.3244 47.6333 0.0000 173.7924 115 Q 4.6019 7.7051 117.7136 55.7205 29.0930 176.0411 116 S 4.6830 8.1988 110.3644 57.8063 66.2854 174.1604 117 L 4.3846 7.7868 123.4577 55.1406 42.9364 175.6109 118 A 5.0722 9.1351 127.8374 50.7055 22.6026 174.1032 119 C 5.2991 9.6569 119.6643 55.2214 39.3321 173.1547 120 Q 4.8863 8.5024 118.5869 54.0739 33.3030 173.9970 121 A 4.7885 7.7750 123.0222 50.2326 21.1504 175.7196 122 L 5.3419 9.0664 123.1170 53.3790 44.9021 176.2606 123 V 5.3638 9.1521 114.5814 59.8977 35.3846 177.0406 124 R 3.9894 8.9985 122.2842 58.1994 30.4878 176.8535 125 T 4.7249 7.8673 107.0849 59.6305 71.2820 173.1616 126 Q 3.8864 7.9213 118.3050 56.7478 28.8593 175.7791 127 M 4.6717 7.6236 115.9025 53.3015 34.9828 176.3858 128 V 3.7812 8.2003 115.3920 61.1056 32.7055 176.0519 129 D 4.7931 8.4371 123.3116 52.3421 42.9672 176.1098 130 D 4.4525 8.5448 128.1125 56.8565 40.8513 178.6412 131 E 3.8741 8.2286 118.9285 59.2847 29.5873 178.4989 132 A 3.6442 8.1514 120.7733 55.3756 18.3071 179.6877 133 L 4.0172 7.8340 116.9052 57.8515 41.6993 179.3202 134 E 3.9247 8.2661 119.2149 59.3093 29.4998 179.0563 135 K 3.9354 8.1464 118.5792 59.2506 32.0665 179.0805 136 F 4.2974 8.5680 121.2699 61.6427 39.3247 176.9753 137 D 4.1900 8.5610 118.9062 57.0984 40.3297 178.7368 138 K 3.8901 7.9775 119.1907 59.3067 32.2642 178.3592 139 A 4.0998 7.9540 120.3476 55.1592 18.5948 179.1519 140 L 3.9800 7.7402 115.9194 56.1041 41.5502 178.8023 141 Q 3.8266 7.3871 120.1510 58.1700 28.9255 175.5119 142 P 4.6205 0.0000 0.0000 62.4590 32.1243 175.3724 143 L 4.3547 7.6349 119.9830 53.7631 42.9661 175.6419 144 P 4.5224 0.0000 0.0000 61.6839 30.0444 174.3707 145 M 4.5858 7.4691 122.5751 55.7561 33.4369 176.0704 146 H 4.9386 8.8915 118.0646 55.4574 31.1484 173.8358 147 I 4.7023 7.5396 118.6130 59.1930 41.5720 173.6016 148 R 5.1641 8.5558 127.9310 54.7243 33.2631 173.8530 149 L 4.8763 9.3818 125.7495 52.8006 45.4694 175.6266 150 S 4.9585 8.2467 116.2100 56.4664 65.9591 173.0616 151 F 4.9991 8.9721 119.9631 55.6494 42.7528 174.6610 152 N 4.6741 8.7764 119.9506 52.1243 38.8667 174.0789 153 P 4.3784 0.0000 0.0000 65.7635 31.0748 178.1648 154 T 4.0230 7.8150 112.3175 64.4883 67.1038 175.6677 155 R 4.0190 7.6283 118.6563 59.6345 30.2693 178.4553 156 M 3.9394 7.7919 115.7194 58.0587 32.3973 175.5617 157 A 4.2459 7.5951 125.5569 52.6935 18.5699 176.8379 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 3 I 8.01 4.10 1.87 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 1.35 0.91 0.00 0.00 4 P 0.00 4.16 0.00 2.30 2.03 0.00 3.81 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 5 Q 8.37 4.14 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.91 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 6 T 8.02 4.70 4.37 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 1.30 0.00 0.00 7 M 8.71 4.23 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.56 0.00 8 Q 8.67 4.39 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.68 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 9 D 8.76 4.37 0.00 2.88 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 10 L 8.20 4.03 0.00 1.67 1.69 1.08 1.50 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 11 D 9.49 4.66 0.00 2.60 2.09 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 12 L 8.32 4.12 0.00 1.87 1.73 1.11 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.09 4.11 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.73 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 14 E 7.99 4.16 0.00 1.47 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.37 0.00 15 V 7.69 4.43 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 0.94 0.00 0.00 1.00 0.00 0.00 16 A 7.07 4.34 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 17 G 8.77 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 T 7.97 4.65 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 0.85 0.00 0.00 19 W 8.48 5.19 0.00 3.01 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 20 Y 9.39 4.85 0.00 3.00 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 21 S 8.99 4.66 0.00 3.91 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 22 L 9.28 4.52 0.00 1.86 1.71 0.97 1.24 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 23 A 7.58 5.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 M 9.17 5.41 0.00 1.97 2.06 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.42 0.00 25 A 9.38 5.25 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 26 A 8.77 5.07 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 27 S 9.00 4.56 0.00 3.88 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 28 D 7.90 4.94 0.00 2.70 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 29 I 8.68 3.75 1.88 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 1.58 0.97 0.95 0.00 0.00 30 S 8.33 4.22 0.00 3.98 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 31 L 7.94 4.16 0.00 1.84 1.77 0.96 0.74 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 32 L 7.86 4.70 0.00 1.75 1.66 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 33 D 8.22 4.50 0.00 2.88 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 7.63 4.78 0.00 4.14 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 35 E 8.84 4.27 0.00 2.07 2.13 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 2.52 2.53 0.00 36 S 7.42 4.65 0.00 3.82 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 7.78 4.22 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 38 P 0.00 4.23 0.00 2.19 2.24 0.00 3.76 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 2.01 2.03 0.00 39 L 7.96 4.51 0.00 1.70 1.71 1.02 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 40 R 7.55 4.08 0.00 1.78 1.85 0.00 3.31 0.00 0.00 3.63 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.28 0.00 41 V 7.37 4.63 2.09 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 0.79 0.00 0.00 0.99 0.00 0.00 42 Y 8.92 4.60 0.00 2.78 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 43 V 8.82 4.11 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 0.73 0.00 0.00 1.03 0.00 0.00 44 E 9.33 4.65 0.00 1.99 2.13 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 2.19 2.32 0.00 45 E 7.92 5.16 0.00 2.00 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 2.29 2.42 0.00 46 L 8.88 4.92 0.00 1.95 1.56 0.62 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 47 K 9.17 4.75 0.00 1.57 1.66 0.00 1.65 0.00 0.00 1.82 0.00 0.00 2.83 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.48 7.81 48 P 0.00 4.83 0.00 2.11 1.98 0.00 3.64 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.07 0.00 49 T 8.40 4.61 4.31 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 1.19 0.00 0.00 50 P 0.00 4.21 0.00 2.06 2.18 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 51 E 8.06 4.04 0.00 2.15 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 2.32 2.37 0.00 52 G 8.47 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 0.00 0.00 0.00 53 D 7.92 5.00 0.00 2.66 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 54 L 8.93 4.61 0.00 1.04 0.55 0.72 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 55 E 9.00 4.67 0.00 2.02 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 2.23 2.24 0.00 56 I 8.92 4.74 1.74 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.32 0.75 0.00 0.00 57 L 8.72 5.02 0.00 1.57 1.55 0.90 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 58 L 9.17 5.32 0.00 1.52 1.64 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 59 Q 9.33 5.00 0.00 2.07 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.58 0.00 0.00 0.00 0.00 0.00 2.17 2.29 0.00 60 K 9.34 4.37 0.00 1.63 1.84 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.38 7.81 *67 A 7.76 4.13 1.27 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 0.00 0.00 0.00 68 Q 8.62 4.99 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.67 0.00 0.00 0.00 0.00 0.00 2.26 2.65 0.00 69 K 9.01 4.75 0.00 1.65 1.61 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.78 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.53 7.81 70 K 8.68 4.97 0.00 1.70 1.64 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.71 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.28 1.41 7.81 71 I 8.74 4.56 1.82 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 1.22 0.57 0.88 0.00 0.00 72 I 8.46 4.60 1.86 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 1.25 0.53 0.94 0.00 0.00 73 A 8.89 4.82 1.15 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 0.00 0.00 74 E 9.21 5.03 0.00 1.94 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 2.46 2.42 0.00 75 K 9.36 4.36 0.00 1.69 2.17 0.00 1.56 0.00 0.00 1.95 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.62 1.39 7.81 76 T 7.53 4.62 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 1.18 0.00 0.00 77 E 8.92 4.00 0.00 1.94 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 2.28 2.29 0.00 78 S 7.60 4.57 0.00 3.72 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 79 P 0.00 4.14 0.00 2.03 2.12 0.00 3.58 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 2.01 2.05 0.00 80 A 7.84 4.76 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 81 E 7.63 5.20 0.00 1.71 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 2.21 2.17 0.00 82 F 9.38 4.98 0.00 2.96 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 83 K 9.30 5.16 0.00 1.84 1.68 0.00 1.48 0.00 0.00 2.00 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.43 7.81 84 I 8.47 4.94 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.80 0.92 0.00 0.00 85 D 7.93 4.99 0.00 2.59 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 86 A 8.51 4.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 L 9.24 3.85 0.00 1.83 1.78 0.94 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 88 D 8.34 4.48 0.00 2.82 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 89 E 8.21 4.87 0.00 2.07 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 2.44 2.38 0.00 90 N 8.96 6.02 0.00 2.79 2.99 0.00 0.00 6.64 6.92 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 91 K 7.97 5.25 0.00 1.67 1.71 0.00 1.63 0.00 0.00 1.76 0.00 0.00 2.81 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.38 7.81 92 V 9.13 5.00 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 1.03 0.00 0.00 0.96 0.00 0.00 93 L 9.36 5.30 0.00 1.61 1.59 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 94 V 9.12 4.39 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 1.02 0.00 0.00 1.03 0.00 0.00 95 L 9.16 4.17 0.00 1.79 1.77 1.07 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 96 D 7.85 4.49 0.00 2.83 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 T 8.12 4.02 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 0.51 0.00 0.00 98 D 7.02 4.54 0.00 2.85 2.74 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 99 Y 7.92 4.34 0.00 3.26 3.39 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 0.00 100 K 9.03 4.33 0.00 1.65 1.88 0.00 1.69 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.49 7.81 101 N 8.53 5.10 0.00 3.12 2.95 0.00 0.00 6.64 7.48 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 0.00 102 Y 8.63 5.84 0.00 3.09 3.13 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 0.00 103 L 9.12 4.61 0.00 0.62 0.46 0.47 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 0.00 104 L 9.30 5.49 0.00 1.69 1.70 1.08 0.99 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 0.00 105 F 8.75 5.49 0.00 3.19 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 0.00 106 C 9.41 5.41 0.00 2.89 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 0.00 107 M 9.28 5.91 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.44 0.00 108 E 8.49 5.17 0.00 2.00 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 2.29 2.18 0.00 109 N 9.38 5.10 0.00 2.90 2.76 0.00 0.00 7.42 8.55 0.00 0.00 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 A 9.34 4.17 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 0.00 111 A 7.88 4.40 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 0.00 112 T 8.04 4.76 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 0.00 113 P 0.00 4.24 0.00 2.20 2.14 0.00 3.60 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 2.11 2.08 0.00 114 G 8.10 3.62 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 0.00 0.00 0.00 115 Q 7.71 4.60 0.00 1.99 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.66 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 116 S 8.20 4.68 0.00 3.98 3.95 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 0.00 117 L 7.79 4.38 0.00 1.97 1.58 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 118 A 9.14 5.07 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 C 9.66 5.30 0.00 2.79 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 0.00 120 Q 8.50 4.89 0.00 1.27 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.76 0.00 0.00 0.00 0.00 0.00 2.04 1.67 0.00 121 A 7.77 4.79 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 0.00 122 L 9.07 5.34 0.00 1.45 1.77 0.55 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 123 V 9.15 5.36 2.26 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 0.88 0.00 0.00 1.28 0.00 0.00 124 R 9.00 3.99 0.00 1.58 1.75 0.00 2.54 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.44 0.00 125 T 7.87 4.72 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 0.00 126 Q 7.92 3.89 0.00 1.87 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.87 0.00 0.00 0.00 0.00 0.00 1.20 1.26 0.00 127 M 7.62 4.67 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.42 0.00 128 V 8.20 3.78 2.09 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 0.67 0.00 0.00 0.94 0.00 0.00 129 D 8.44 4.79 0.00 2.71 2.58 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 0.00 130 D 8.54 4.45 0.00 2.73 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 0.00 131 E 8.23 3.87 0.00 2.08 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 2.38 2.30 0.00 132 A 8.15 3.64 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 0.00 133 L 7.83 4.02 0.00 1.92 1.78 0.93 0.72 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 0.00 134 E 8.27 3.92 0.00 2.11 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 2.28 2.34 0.00 135 K 8.15 3.94 0.00 1.81 1.71 0.00 1.01 0.00 0.00 0.89 0.00 0.00 2.99 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.30 7.81 136 F 8.57 4.30 0.00 3.05 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 0.00 137 D 8.56 4.19 0.00 2.68 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 0.00 138 K 7.98 3.89 0.00 1.78 1.97 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.48 7.81 139 A 7.95 4.10 1.34 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 0.00 0.00 0.00 140 L 7.74 3.98 0.00 1.41 1.46 0.53 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 141 Q 7.39 3.83 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 142 P 0.00 4.62 0.00 2.18 2.10 0.00 3.81 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.93 0.00 143 L 7.63 4.35 0.00 1.67 1.55 0.83 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 144 P 0.00 4.52 0.00 2.19 2.18 0.00 3.63 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.95 0.00 145 M 7.47 4.59 0.00 1.93 1.90 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 146 H 8.89 4.94 0.00 3.09 3.30 0.00 5.79 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 I 7.54 4.70 1.88 0.00 0.00 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 1.24 1.48 0.97 0.00 0.00 148 R 8.56 5.16 0.00 1.77 1.70 0.00 3.21 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.74 0.00 149 L 9.38 4.88 0.00 1.37 0.98 1.08 0.61 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 0.00 150 S 8.25 4.96 0.00 3.74 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 0.00 151 F 8.97 5.00 0.00 3.14 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 0.00 152 N 8.78 4.67 0.00 2.79 2.76 0.00 0.00 6.98 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 0.00 153 P 0.00 4.38 0.00 2.00 2.13 0.00 3.67 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.26 0.00 154 T 7.81 4.02 4.19 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 1.27 0.00 0.00 155 R 7.63 4.02 0.00 1.84 1.96 0.00 3.40 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 1.77 1.84 0.00 156 M 7.79 3.94 0.00 1.68 1.51 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.38 0.00 157 A 7.60 4.25 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 * Residues marked with a * may have inaccurate shift predictions.