NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2912 8.1076 123.5701 52.3365 20.5926 178.2266 2 D 4.4630 8.0832 112.5548 54.1663 39.6004 174.8377 3 Q 4.5601 8.7097 118.3604 55.5967 31.1311 176.1053 4 L 4.9956 7.4315 117.8879 52.5256 45.0837 176.8952 5 T 4.2866 8.4460 111.8029 61.1889 71.1928 175.8326 6 E 3.9838 8.5614 120.7239 59.4905 29.3713 179.5586 7 E 3.9550 8.0066 118.4180 59.3010 29.5452 179.0961 8 Q 3.4477 7.8693 118.1107 58.7647 28.8478 178.7990 9 I 3.7572 7.7703 120.5884 64.2585 37.1836 178.2999 10 A 4.0362 8.0086 121.5037 55.2589 18.2328 179.5253 11 E 3.9738 8.1107 117.0536 59.7336 29.4976 179.7202 12 F 5.0736 8.2716 117.6133 60.1723 39.0654 177.9203 13 K 4.0686 8.2557 118.6449 59.5074 31.7061 178.8536 14 E 4.1675 8.1225 118.7155 59.0940 29.6809 178.6474 15 A 4.3107 8.4488 121.1529 55.1266 18.5088 179.2665 16 F 3.2746 8.9435 119.7422 61.3495 39.1609 177.3477 17 S 4.1868 7.6759 110.6892 61.2233 62.2219 175.8331 18 L 4.1101 7.4904 121.2894 57.8416 41.4443 179.1867 19 F 4.1688 7.9756 116.4576 59.2991 40.0952 176.4158 20 D 4.4767 7.6996 119.2683 52.5211 38.4635 176.1290 21 K 3.8082 8.2362 122.1445 59.4905 32.7247 178.2299 22 D 4.3739 8.1137 117.4878 54.1756 39.6849 176.3356 23 G 3.8387 7.5353 108.3618 46.9112 0.0000 173.8559 24 D 4.5770 8.6798 117.1883 52.8617 39.9723 177.3477 25 G 4.1613 9.7651 109.4415 45.4933 0.0000 173.2609 26 T 5.1642 7.8639 107.9835 60.1893 72.5879 173.1870 27 I 4.6926 8.7409 123.8000 59.9380 39.5525 175.7274 28 T 4.6580 8.7332 117.2901 60.5406 71.2553 176.0612 29 T 3.8532 8.5540 118.1983 66.6801 68.3306 176.7297 30 K 3.9615 7.9719 120.9135 59.5855 32.3741 178.5614 31 E 3.9571 8.0573 118.4117 59.2648 29.3456 179.0368 32 L 4.3958 8.3736 120.7832 58.1324 42.0783 179.3229 33 G 3.6020 8.2277 105.5062 48.1514 0.0000 175.5667 34 T 3.8483 7.9724 119.0189 66.3600 68.6108 176.8763 35 V 3.3914 7.7789 119.7848 66.1623 31.4646 177.9485 36 M 4.1995 8.3018 118.5327 58.5731 31.5787 179.0170 37 R 4.6326 7.9853 118.8147 58.8192 30.2768 178.9621 38 S 4.2825 7.7211 113.5227 60.2301 62.9496 175.1402 39 L 4.6515 7.7343 121.7102 54.4900 42.5623 178.0905 40 G 4.0127 8.1724 105.5686 45.8604 0.0000 174.2886 41 Q 4.5442 7.9557 119.1790 54.9599 30.6183 175.1254 42 N 5.3036 8.1033 116.0626 51.9138 38.9934 172.8032 43 P 4.6041 0.0000 0.0000 62.7834 32.6955 177.0199 44 T 4.3062 8.9726 112.3615 60.9419 71.2301 175.5618 45 E 3.9271 8.6134 120.7086 59.3761 29.6152 178.4481 46 A 4.0165 7.9470 120.3964 55.1914 18.4600 179.3333 47 E 3.9824 8.1620 116.7502 59.3346 29.4863 179.5918 48 L 3.9928 8.0080 119.2713 57.8231 41.6357 179.2674 49 Q 3.9966 8.2594 119.5727 59.2678 28.9260 178.0584 50 D 4.3345 8.2818 120.0039 57.4482 40.3825 178.4754 51 M 4.0234 8.2225 119.3395 58.5399 32.0093 178.8327 52 I 3.5826 7.7594 119.6422 64.5742 37.1491 178.0698 53 N 4.3108 8.1799 116.3027 56.6985 38.4900 176.9952 54 E 4.1327 8.2717 118.8392 58.4988 29.5978 178.2333 55 V 4.2788 6.9722 108.5456 61.0663 33.0130 176.3951 56 D 4.7196 7.8132 122.2553 52.6441 39.2605 176.3104 57 A 4.0248 8.0921 125.3807 54.2813 18.9679 178.4141 58 D 4.6972 8.0475 112.1275 52.2007 39.7195 176.4471 59 G 4.0391 7.6594 107.4382 46.9935 0.0000 173.8852 60 N 4.6317 8.3190 114.0275 51.9813 37.7647 176.0879 61 G 3.9870 8.9264 108.4033 45.6303 0.0000 173.0182 62 T 4.8846 7.6772 107.6981 59.8989 72.5350 173.1882 63 I 5.4406 8.7809 122.1098 59.0683 39.8798 175.9227 64 D 5.1596 8.8123 127.3483 52.3563 42.3602 176.7249 65 F 3.9204 8.6676 118.8530 61.2863 39.1164 175.3300 66 P 3.9952 0.0000 0.0000 65.7304 31.1622 178.4962 67 E 3.9731 8.6743 117.2629 59.1121 29.2146 179.1930 68 F 4.2069 8.3284 121.0147 61.2397 39.4391 177.1498 69 L 3.6391 7.8106 118.6631 57.9964 41.3433 179.6894 70 T 3.7488 7.4231 115.7835 66.6588 68.2829 176.4352 71 M 3.8871 7.7619 120.1254 58.8356 32.3038 178.2532 72 M 3.5378 7.6470 118.8408 57.9061 31.6940 178.5742 73 A 3.9125 7.6302 120.0164 55.3633 18.8636 179.6771 74 R 3.9631 7.9589 116.5145 59.1495 29.9938 179.3549 75 K 4.1126 8.0154 119.8648 59.1730 31.8576 179.0773 76 M 4.1138 7.7792 117.1396 57.1617 31.8745 177.7348 77 K 4.4270 7.5661 116.7745 54.9921 32.9411 176.1260 78 D 4.5340 7.5762 120.9950 54.5368 41.4210 177.9035 79 T 3.9086 8.5416 112.0436 64.3788 69.0932 174.6904 80 D 4.9583 7.8773 120.8346 53.9268 41.6759 178.2965 81 S 4.3756 8.0491 119.3928 61.0037 62.7083 175.4303 82 E 3.9448 8.2343 122.4243 59.0205 29.3131 178.3074 83 E 3.9853 8.1679 118.5609 59.4262 29.9235 178.3346 84 E 4.2068 8.3275 118.5707 59.7085 29.4831 179.5372 85 I 4.1338 8.3948 120.2177 64.3968 37.1520 178.7522 86 R 4.1971 8.3631 119.0454 59.5097 29.7275 178.9847 87 E 4.0612 8.4005 117.0785 59.1861 29.6287 179.1085 88 A 4.6692 8.2571 122.3349 54.7358 18.5057 179.2363 89 F 3.3673 8.5882 119.3974 61.3434 39.1123 177.0661 90 R 3.8063 8.0132 117.0821 59.6255 29.8679 178.1716 91 V 3.6006 7.3612 116.3074 66.0099 31.5157 177.7761 92 F 4.1390 7.8691 115.9529 59.7321 40.5699 176.6965 93 D 4.6366 7.6733 119.5520 52.5580 37.3047 176.2554 94 K 3.7770 7.8723 122.6031 59.2068 32.6864 177.9030 95 D 4.5966 8.4570 114.9918 52.4115 39.5786 176.2963 96 G 4.0199 7.7295 107.4884 46.9030 0.0000 174.1140 97 N 4.6273 8.5118 114.5689 52.4768 37.5314 175.9027 98 G 4.0132 9.5222 108.7362 45.4590 0.0000 172.4811 99 Y 5.0795 8.1414 116.0812 56.1871 42.0689 174.9643 100 I 4.5997 8.9066 124.9338 60.1360 38.8119 175.8490 101 S 4.9186 9.1312 122.4160 57.0417 64.9705 175.3662 102 A 3.9956 8.7021 121.5217 55.1788 18.0328 179.7540 103 A 3.9510 7.9613 118.8356 55.4909 18.5515 179.6059 104 E 3.9994 8.2642 117.1671 59.3337 29.5254 179.3710 105 L 4.2178 8.3564 120.7449 58.3672 42.1345 179.2454 106 R 4.0066 8.4313 118.4080 59.4500 29.9592 178.5762 107 H 4.1922 8.3026 118.1683 59.1709 29.8709 177.5751 108 V 3.4093 7.7936 120.0815 66.1540 31.2659 177.8384 109 M 4.0375 8.1016 118.4271 58.8494 31.8558 178.7663 110 T 3.8589 8.2312 113.3151 65.1457 67.2659 176.0878 111 N 4.4373 8.1389 117.7981 55.6417 38.5101 176.2388 112 L 4.4482 7.4960 118.6729 53.9942 41.8387 177.4290 113 G 3.8775 7.6033 105.9471 46.0970 0.0000 174.7043 114 E 4.1961 7.9174 121.7954 54.8167 31.4377 175.0416 *116 L 4.7304 8.3570 116.8017 56.2648 41.7948 176.0269 117 T 4.7466 7.8920 107.5768 59.1220 73.0959 174.4126 118 D 4.3666 8.6402 122.4182 57.7490 40.9416 178.8088 119 E 4.0041 8.2449 118.5243 59.5182 29.5665 178.9994 120 E 3.9334 8.1379 118.9212 59.2362 29.7336 179.0561 121 V 3.6445 7.8475 118.3241 66.1231 31.5333 177.6318 122 D 4.3903 8.5809 119.0904 57.4690 40.6824 178.5364 123 E 3.9465 8.2791 119.7642 59.3939 29.4099 178.7240 124 M 4.2024 7.8647 117.9021 58.5562 32.3557 178.5533 125 I 3.9014 7.8293 119.9237 64.2818 36.1916 178.2898 126 R 3.9072 8.3178 119.9438 59.7338 29.6608 178.4299 127 E 4.1550 8.2827 116.5609 58.2369 29.4932 177.4438 128 A 4.5929 7.1046 119.3543 51.8967 20.6318 176.9025 129 D 4.7182 7.8262 116.5457 53.0501 39.4493 175.6804 130 I 3.8641 7.9805 123.9912 63.9437 37.5839 177.2729 131 D 4.4792 8.7514 117.0723 53.2973 39.6386 176.6430 132 G 3.9324 7.7698 108.2649 46.8871 0.0000 173.9460 133 D 4.5364 8.5980 117.1203 52.8747 39.4889 177.3708 134 G 3.9612 8.8152 107.7637 45.8764 0.0000 172.9565 135 Q 4.7956 8.4639 117.0802 54.1458 33.6388 174.7013 136 V 4.7141 8.7103 120.4872 61.4849 33.4791 175.1290 137 N 5.2002 9.1441 126.5453 51.3103 39.3958 175.6436 138 Y 3.0865 8.3849 118.4919 60.7316 38.5592 177.6873 139 E 3.6590 8.0103 118.6915 59.5915 29.6264 179.2152 140 E 3.9711 8.9440 118.8741 59.1469 29.2470 179.2250 141 F 4.1066 8.0549 120.2257 61.2364 39.9030 177.0954 142 V 3.5574 7.8715 118.3285 65.8662 31.3519 177.6897 143 Q 3.8745 8.0159 119.3425 59.4788 28.6581 178.0730 144 M 4.0092 7.7276 117.9032 58.0099 32.1783 176.9231 145 M 4.5715 7.2604 116.6075 54.2992 33.2535 175.3797 146 T 4.4541 7.0809 115.7970 61.3029 70.4988 174.4103 147 A 4.1028 8.5622 129.6894 52.0784 19.0401 177.3889 148 K 4.1742 8.5594 121.6008 56.4934 32.4467 176.2949 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 8.11 4.29 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 2 D 8.08 4.46 0.00 2.86 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Q 8.71 4.56 0.00 1.99 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.82 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 4 L 7.43 5.00 0.00 1.55 1.53 1.07 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.45 4.29 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 6 E 8.56 3.98 0.00 2.01 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 2.39 2.39 0.00 7 E 8.01 3.96 0.00 1.89 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 0.00 2.35 2.30 0.00 8 Q 7.87 3.45 0.00 2.08 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 9 I 7.77 3.76 2.04 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 1.49 1.31 1.10 0.00 0.00 10 A 8.01 4.04 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 11 E 8.11 3.97 0.00 1.71 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 0.00 2.46 2.32 0.00 12 F 8.27 5.07 0.00 3.26 3.37 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 13 K 8.26 4.07 0.00 2.04 1.71 0.00 1.66 0.00 0.00 1.45 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.23 2.00 7.81 14 E 8.12 4.17 0.00 2.31 2.23 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 2.39 2.48 0.00 15 A 8.45 4.31 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 0.00 0.00 0.00 0.00 0.00 16 F 8.94 3.27 0.00 3.15 3.23 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 17 S 7.68 4.19 0.00 4.07 4.15 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 18 L 7.49 4.11 0.00 1.81 1.58 1.07 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.98 4.17 0.00 2.73 2.92 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 20 D 7.70 4.48 0.00 2.35 2.40 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 21 K 8.24 3.81 0.00 1.89 1.80 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.40 7.81 22 D 8.11 4.37 0.00 2.80 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 23 G 7.54 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 24 D 8.68 4.58 0.00 2.83 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 25 G 9.77 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 7.86 5.16 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 1.30 0.00 0.00 27 I 8.74 4.69 1.80 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.09 0.89 0.00 0.00 28 T 8.73 4.66 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 29 T 8.55 3.85 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 30 K 7.97 3.96 0.00 1.83 1.81 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.53 7.81 31 E 8.06 3.96 0.00 2.24 2.22 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 2.31 2.31 0.00 32 L 8.37 4.40 0.00 1.95 1.91 0.94 1.34 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 33 G 8.23 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 0.00 0.00 0.00 34 T 7.97 3.85 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 1.17 0.00 0.00 35 V 7.78 3.39 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.75 0.00 0.00 36 M 8.30 4.20 0.00 2.20 2.37 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.09 2.82 0.00 37 R 7.99 4.63 0.00 1.90 1.99 0.00 3.12 0.00 0.00 3.08 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 38 S 7.72 4.28 0.00 3.92 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 39 L 7.73 4.65 0.00 1.80 1.80 1.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.17 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 41 Q 7.96 4.54 0.00 2.25 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.90 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 42 N 8.10 5.30 0.00 2.61 2.71 0.00 0.00 7.01 7.69 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 43 P 0.00 4.60 0.00 2.24 2.07 0.00 3.84 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 2.02 2.00 0.00 44 T 8.97 4.31 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 45 E 8.61 3.93 0.00 2.11 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 2.38 2.45 0.00 46 A 7.95 4.02 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 47 E 8.16 3.98 0.00 2.21 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 2.33 2.35 0.00 48 L 8.01 3.99 0.00 1.90 1.73 0.95 0.84 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 49 Q 8.26 4.00 0.00 2.29 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 50 D 8.28 4.33 0.00 2.88 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 51 M 8.22 4.02 0.00 2.04 2.28 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.57 0.00 52 I 7.76 3.58 2.02 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 1.76 1.14 0.93 0.00 0.00 53 N 8.18 4.31 0.00 2.68 2.90 0.00 0.00 7.19 8.52 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 54 E 8.27 4.13 0.00 2.13 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 2.33 2.41 0.00 55 V 6.97 4.28 2.05 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 0.64 0.00 0.00 1.05 0.00 0.00 56 D 7.81 4.72 0.00 2.95 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 57 A 8.09 4.02 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 58 D 8.05 4.70 0.00 2.82 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 7.66 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 N 8.32 4.63 0.00 2.84 2.94 0.00 0.00 6.91 6.80 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 61 G 8.93 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 T 7.68 4.88 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 1.23 0.00 0.00 63 I 8.78 5.44 1.96 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.54 1.11 0.00 0.00 64 D 8.81 5.16 0.00 2.85 2.92 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 65 F 8.67 3.92 0.00 2.34 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 66 P 0.00 4.00 0.00 2.17 2.04 0.00 3.93 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.22 0.00 67 E 8.67 3.97 0.00 2.22 2.15 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 2.34 2.58 0.00 68 F 8.33 4.21 0.00 3.45 3.34 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 69 L 7.81 3.64 0.00 1.64 1.53 0.52 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 70 T 7.42 3.75 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 1.15 0.00 0.00 71 M 7.76 3.89 0.00 1.91 1.93 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.36 0.00 72 M 7.65 3.54 0.00 0.87 1.39 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.14 0.00 73 A 7.63 3.91 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 74 R 7.96 3.96 0.00 1.79 1.93 0.00 3.08 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.80 0.00 75 K 8.02 4.11 0.00 1.86 1.76 0.00 1.68 0.00 0.00 2.12 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.37 7.81 76 M 7.78 4.11 0.00 2.00 2.27 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.68 0.00 77 K 7.57 4.43 0.00 1.80 1.79 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.56 7.81 78 D 7.58 4.53 0.00 2.82 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 79 T 8.54 3.91 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 80 D 7.88 4.96 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 81 S 8.05 4.38 0.00 4.07 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 0.00 82 E 8.23 3.94 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 83 E 8.17 3.99 0.00 2.11 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 0.00 2.42 2.44 0.00 84 E 8.33 4.21 0.00 2.25 2.24 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 2.38 2.64 0.00 85 I 8.39 4.13 2.15 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 1.60 0.80 1.19 0.00 0.00 86 R 8.36 4.20 0.00 2.17 2.03 0.00 2.98 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.98 0.00 87 E 8.40 4.06 0.00 2.17 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 0.00 2.39 2.63 0.00 88 A 8.26 4.67 1.84 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 89 F 8.59 3.37 0.00 2.97 3.23 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 90 R 8.01 3.81 0.00 1.89 2.22 0.00 3.33 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 91 V 7.36 3.60 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 0.57 0.00 0.00 0.86 0.00 0.00 92 F 7.87 4.14 0.00 2.75 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 93 D 7.67 4.64 0.00 1.85 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 94 K 7.87 3.78 0.00 1.77 1.85 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.59 1.36 7.81 95 D 8.46 4.60 0.00 2.79 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 7.73 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 97 N 8.51 4.63 0.00 3.02 3.01 0.00 0.00 7.01 6.31 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 98 G 9.52 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 99 Y 8.14 5.08 0.00 2.92 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.91 4.60 1.99 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.49 0.96 0.00 0.00 101 S 9.13 4.92 0.00 3.93 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 0.00 102 A 8.70 4.00 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 0.00 103 A 7.96 3.95 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 0.00 104 E 8.26 4.00 0.00 2.24 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 0.00 2.35 2.34 0.00 105 L 8.36 4.22 0.00 1.87 1.91 1.19 1.35 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 0.00 106 R 8.43 4.01 0.00 2.08 1.99 0.00 3.19 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.90 0.00 107 H 8.30 4.19 0.00 3.36 3.35 0.00 5.61 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 0.00 108 V 7.79 3.41 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 0.55 0.00 0.00 0.41 0.00 0.00 109 M 8.10 4.04 0.00 2.15 2.26 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 2.90 2.64 0.00 110 T 8.23 3.86 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 111 N 8.14 4.44 0.00 2.82 2.79 0.00 0.00 7.04 7.16 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 0.00 112 L 7.50 4.45 0.00 1.71 1.59 0.79 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 0.00 113 G 7.60 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 0.00 114 E 7.92 4.20 0.00 1.91 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 2.34 2.31 0.00 *116 L 8.36 4.73 0.00 1.83 1.75 0.94 0.69 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 0.00 117 T 7.89 4.75 4.39 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 1.22 0.00 0.00 118 D 8.64 4.37 0.00 2.72 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.24 4.00 0.00 2.06 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 2.41 2.45 0.00 120 E 8.14 3.93 0.00 2.09 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 0.00 2.35 2.35 0.00 121 V 7.85 3.64 2.24 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 1.02 0.00 0.00 1.00 0.00 0.00 122 D 8.58 4.39 0.00 2.86 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 0.00 123 E 8.28 3.95 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 2.31 2.50 0.00 124 M 7.86 4.20 0.00 2.10 2.30 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.64 0.00 125 I 7.83 3.90 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.87 0.99 0.00 0.00 126 R 8.32 3.91 0.00 2.01 2.14 0.00 3.29 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 1.63 1.69 0.00 127 E 8.28 4.16 0.00 2.18 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 2.46 2.58 0.00 128 A 7.10 4.59 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 0.00 129 D 7.83 4.72 0.00 2.85 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 I 7.98 3.86 1.88 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 1.46 0.84 0.91 0.00 0.00 131 D 8.75 4.48 0.00 2.79 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 0.00 132 G 7.77 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 0.00 133 D 8.60 4.54 0.00 2.78 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 0.00 134 G 8.82 3.96 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 0.00 0.00 0.00 135 Q 8.46 4.80 0.00 2.03 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.66 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 136 V 8.71 4.71 2.23 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 1.32 0.00 0.00 1.02 0.00 0.00 137 N 9.14 5.20 0.00 2.66 2.76 0.00 0.00 6.45 6.94 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 0.00 138 Y 8.38 3.09 0.00 2.18 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 0.00 139 E 8.01 3.66 0.00 2.15 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 2.37 2.42 0.00 140 E 8.94 3.97 0.00 2.17 2.23 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 2.34 2.58 0.00 141 F 8.05 4.11 0.00 3.20 3.12 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 0.00 0.00 0.00 142 V 7.87 3.56 1.85 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 0.78 0.00 0.00 0.13 0.00 0.00 143 Q 8.02 3.87 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.57 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 144 M 7.73 4.01 0.00 1.94 1.95 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 145 M 7.26 4.57 0.00 1.98 1.91 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.32 0.00 146 T 7.08 4.45 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 1.18 0.00 0.00 147 A 8.56 4.10 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 0.00 148 K 8.56 4.17 0.00 1.71 1.68 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.31 7.81 * Residues marked with a * may have inaccurate shift predictions.