NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 G 3.9092 8.3544 109.7397 44.9390 0.0000 173.4079 7 N 4.3632 8.4528 124.6790 51.2019 39.5762 173.2841 8 Y 4.2583 9.5956 122.2369 59.7766 38.7732 176.7014 9 K 3.2750 6.2662 117.2131 60.0666 32.5448 176.9691 10 K 4.1855 7.3795 118.7554 55.4670 32.9705 175.3038 11 P 4.7345 0.0000 0.0000 63.0839 32.1798 175.5713 12 K 4.7794 9.2271 120.8928 55.6441 36.9942 174.5414 13 L 4.8660 9.4132 121.1204 53.4061 43.9618 176.2691 14 L 5.0013 8.6480 122.7993 53.5284 43.6130 174.6703 15 Y 4.9001 9.1125 127.1774 56.4458 40.4299 173.9261 16 C 3.9144 8.6231 128.7737 58.4800 32.2358 174.1771 17 S 3.7163 8.8470 122.0703 61.5875 61.9954 174.3466 18 N 3.9426 8.2488 116.5983 55.5849 38.8814 174.7012 19 G 3.8427 7.6782 107.1727 44.7084 0.0000 172.7632 20 G 3.0072 7.4270 106.7833 46.5156 0.0000 173.2245 21 H 4.7583 7.2903 115.0186 53.5909 31.8433 174.4774 22 F 5.2844 8.8749 121.2821 56.4760 40.7166 175.0454 23 L 4.3767 9.2279 126.4660 55.5324 43.1476 175.5658 24 R 4.8310 9.2523 126.7126 54.5926 33.3649 174.0782 25 I 4.6013 8.1810 126.8943 59.4649 38.4161 175.7211 26 L 4.1206 8.6684 127.9277 53.3943 42.2887 176.8606 27 P 4.1944 0.0000 0.0000 65.6843 31.2859 177.0905 28 D 4.5454 8.0081 114.7710 53.4155 39.8768 177.0080 29 G 4.0454 8.7826 110.0424 45.2632 0.0000 173.5000 30 T 4.6610 7.6980 110.0164 60.1864 70.4513 173.8198 31 V 4.8980 8.1059 122.4756 61.2831 34.2007 174.6527 32 D 4.5472 8.6267 126.1026 52.8359 42.7070 173.8517 33 G 4.5132 8.7611 104.7407 45.3616 0.0000 172.1858 34 T 4.9771 8.7786 116.4272 60.3224 70.8296 174.7365 35 R 4.2610 8.7710 123.9057 57.2012 30.6252 176.3300 36 D 4.4962 8.5059 119.2476 54.1141 40.9320 176.6352 37 R 3.8592 8.7699 127.5932 58.0358 30.4213 176.8559 38 S 4.4184 8.4465 111.0678 58.6032 63.7584 174.0664 39 D 4.3546 7.4947 121.3642 54.9210 41.1207 176.1111 40 Q 4.1392 8.6155 123.0042 57.6339 29.4308 175.8883 41 H 4.8108 8.8284 116.5227 55.8289 28.9031 175.4453 42 I 4.6665 7.4110 111.4854 60.0324 38.9097 175.4664 43 Q 4.2672 7.9481 123.5060 55.5643 29.7554 174.4888 44 L 5.1722 8.7407 124.9283 52.8028 44.9096 175.3948 45 Q 4.8027 9.4498 125.9614 54.5833 30.6979 174.4122 46 L 5.3490 8.5880 126.4090 53.9025 43.9493 175.6748 47 S 4.9328 8.9013 114.7791 57.4176 67.0264 172.5871 48 A 5.1451 8.4173 120.9247 50.7696 21.3563 176.0125 49 E 4.3762 8.5058 121.8570 57.6344 30.9168 176.5308 50 S 4.6040 7.5765 111.1826 56.2091 65.9378 173.3391 51 V 3.6344 8.3103 120.7809 64.7232 31.4250 176.4700 52 G 3.9286 9.0220 113.7316 45.7002 0.0000 172.0092 53 E 5.0573 8.0546 119.3473 54.5285 32.6586 175.5569 54 V 4.9480 8.7538 117.3248 59.7892 35.9344 174.1415 55 Y 4.9025 9.3147 120.1619 56.5188 40.8493 175.2144 56 I 4.4066 8.6637 123.6006 59.6938 39.6161 174.0985 57 K 4.8312 9.0706 129.3325 54.1896 35.3745 174.9419 58 S 4.7827 8.6567 122.5358 58.0700 62.6177 174.9068 59 T 3.8395 8.5208 118.9290 64.8554 68.6713 175.8782 60 E 4.0128 8.0776 122.8750 58.8371 29.8105 177.4512 61 T 4.4119 7.7359 105.8675 60.6301 69.2552 174.9907 62 G 3.8892 8.0094 108.5646 46.4000 0.0000 173.9955 63 Q 4.5463 7.3192 117.5735 55.2488 30.5788 174.7151 64 Y 4.8081 9.0451 120.0468 56.6253 40.6797 174.7301 65 L 4.4886 8.6462 124.1203 55.1286 43.5630 175.5365 66 A 5.5256 8.4985 127.1537 50.9599 23.0919 174.3386 *68 D 4.9831 8.6815 113.6910 53.6399 40.5880 176.4518 69 T 4.1609 8.6428 108.4689 63.9525 68.5651 174.4071 70 D 4.7018 8.5502 120.7451 53.9305 41.4174 176.5487 71 G 3.4448 8.7757 108.2909 45.9078 0.0000 172.9417 72 L 4.7612 8.2658 119.4581 52.8379 42.9566 176.3873 73 L 4.8362 8.4763 123.7910 54.7186 42.5498 175.7264 74 Y 5.0348 8.8282 121.0140 55.4404 42.3090 173.9674 75 G 4.2810 9.1649 108.4740 45.4221 0.0000 173.2757 76 S 5.1970 9.3329 121.2928 56.8965 64.4029 175.0966 77 Q 4.5542 9.0086 124.0794 57.7191 29.1138 176.3211 78 T 4.7352 7.6888 106.8472 58.8208 71.5220 172.7614 79 P 4.0488 0.0000 0.0000 62.0765 30.0660 174.9511 80 N 5.0141 8.0152 124.8151 50.9969 40.0069 175.5408 81 E 3.8901 8.6905 115.0238 59.3768 29.6376 177.4983 82 E 4.1319 8.1413 117.4415 57.2743 29.9062 177.0627 83 C 5.2478 7.9535 115.4664 59.0910 29.0599 173.0611 84 L 4.0114 7.1586 123.3379 53.7018 42.9394 174.8157 85 F 5.1519 8.4349 125.4163 55.5368 41.9960 175.0674 86 L 4.6433 9.2045 124.2607 54.3836 42.6715 175.4974 87 E 4.4412 8.9821 126.6563 55.0832 30.5702 175.3743 88 R 4.6675 8.4445 126.2768 54.3402 33.3605 175.0487 89 L 4.7172 8.4933 123.4647 53.2222 43.0591 175.9973 90 E 4.3168 9.1145 125.7526 55.1112 29.8912 177.9863 91 E 3.6411 8.9495 123.2453 58.3834 29.6872 177.8195 92 N 4.3839 7.8805 115.9200 54.1055 37.7915 175.0517 93 H 4.2000 8.8270 116.1004 56.8808 26.6746 173.8046 94 Y 4.9955 8.0344 115.8583 56.4702 41.1589 174.7600 95 N 5.5995 9.5951 119.7060 52.2451 41.5359 174.2074 96 T 5.3050 8.4180 110.5890 60.2908 72.8532 172.5143 97 Y 4.9533 8.8251 120.2501 56.6237 41.2917 174.1712 98 I 4.6805 8.3996 126.1835 59.1124 39.4174 175.5933 99 S 3.7988 8.8361 122.6727 58.7297 62.0781 174.2310 100 K 3.8787 8.5690 129.4457 59.3535 32.0062 178.0285 101 K 3.8436 7.9259 120.1074 58.9252 32.0944 176.8306 102 H 5.4664 7.9195 114.8199 54.2543 29.2847 175.9799 103 A 3.9283 7.7731 124.5556 54.8794 19.0768 180.1354 104 E 3.8229 8.1610 113.8010 59.2612 29.3743 178.5102 105 K 4.2979 7.6356 115.2080 55.2872 32.5178 175.7619 106 N 3.8758 7.8789 115.6367 53.9730 36.4812 174.9066 107 W 4.7964 7.7051 118.0317 56.4777 30.2026 176.5641 108 F 5.2598 8.8325 124.3749 55.8373 40.0912 176.3174 109 V 3.9049 9.0791 123.5789 63.1600 32.4503 175.1555 110 G 4.4325 8.6682 113.0698 45.1315 0.0000 171.3191 111 L 5.2478 8.7303 121.2145 52.3883 45.3329 177.2027 112 K 4.2721 8.8037 123.4105 55.6531 32.7686 178.2775 113 K 3.9342 8.4439 119.5277 59.2278 31.9127 178.0298 114 N 4.4652 8.0340 114.0523 53.1912 37.9346 175.9278 115 G 3.5181 8.4315 108.9057 45.0602 0.0000 173.2909 116 S 4.7973 8.2321 114.9044 56.5338 64.7652 173.3489 117 C 4.6904 8.3578 122.0393 59.8026 32.0749 172.7406 118 K 4.5987 8.6030 123.3055 55.2165 33.7819 176.2453 119 R 4.2886 8.3250 121.5652 54.7693 32.1474 177.0867 120 G 3.3125 8.5488 110.2188 48.3467 0.0000 173.8057 121 P 4.0113 0.0000 0.0000 64.9702 31.5210 177.7199 122 R 4.2264 7.6959 113.8150 56.6550 30.0647 176.1877 123 T 5.1365 7.9516 108.5995 59.8257 70.5076 172.8078 124 H 4.7473 7.7601 115.9301 55.1279 30.9076 174.3823 125 Y 4.1048 8.5453 116.8700 60.9537 37.7490 178.0479 126 G 4.2342 7.8070 104.2186 45.7689 0.0000 173.1253 127 Q 4.6189 7.5165 117.9667 53.4194 31.7866 177.1574 128 K 3.5298 8.3360 119.4227 58.4869 32.7177 179.2973 129 A 4.0205 8.0916 121.5294 53.9508 18.3648 178.5067 130 I 4.5773 6.8001 106.0894 60.3640 38.3397 175.3568 131 L 4.6917 7.4547 123.2254 53.8368 42.8013 175.6118 132 F 5.4957 9.4869 122.9494 55.5401 43.0255 174.4319 133 L 5.1987 9.3593 123.2418 52.6824 44.9309 173.9240 134 P 5.1510 0.0000 0.0000 62.8498 31.9624 175.8866 135 L 5.0451 9.0802 123.6850 52.0577 46.1791 174.7564 136 P 4.6338 0.0000 0.0000 62.2414 32.3150 176.8039 137 V 3.6458 8.4101 118.7791 65.6002 32.1404 175.4606 138 S 5.0023 7.1351 117.2696 59.5195 64.6310 176.2495 139 S 3.6633 7.9310 115.2693 60.3817 64.5658 173.7410 140 D 4.8701 8.1667 125.1608 54.3381 40.9755 174.2086 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 6 G 8.35 3.91 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 0.00 0.00 0.00 7 N 8.45 4.36 0.00 2.74 2.64 0.00 0.00 7.25 6.66 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 8 Y 9.60 4.26 0.00 3.21 3.14 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 9 K 6.27 3.27 0.00 1.32 1.64 0.00 1.58 0.00 0.00 1.43 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.24 0.76 7.81 10 K 7.38 4.19 0.00 1.69 1.70 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.39 7.81 11 P 0.00 4.73 0.00 1.90 1.96 0.00 3.60 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 12 K 9.23 4.78 0.00 1.87 1.88 0.00 1.37 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.44 7.81 13 L 9.41 4.87 0.00 1.67 1.63 0.22 0.53 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 14 L 8.65 5.00 0.00 1.63 1.77 0.40 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 9.11 4.90 0.00 3.36 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 16 C 8.62 3.91 0.00 2.65 2.38 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 17 S 8.85 3.72 0.00 3.59 3.57 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 18 N 8.25 3.94 0.00 2.64 2.63 0.00 0.00 6.76 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 19 G 7.68 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 20 G 7.43 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 H 7.29 4.76 0.00 2.99 3.12 0.00 5.81 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.87 5.28 0.00 3.04 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 23 L 9.23 4.38 0.00 1.88 1.58 0.91 0.48 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 24 R 9.25 4.83 0.00 1.95 2.05 0.00 3.22 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.80 0.00 25 I 8.18 4.60 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.73 0.90 0.00 0.00 26 L 8.67 4.12 0.00 1.83 1.53 1.02 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.19 0.00 2.00 2.12 0.00 3.52 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 28 D 8.01 4.55 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 29 G 8.78 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 7.70 4.66 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 1.29 0.00 0.00 31 V 8.11 4.90 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 0.91 0.00 0.00 0.93 0.00 0.00 32 D 8.63 4.55 0.00 2.88 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 33 G 8.76 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.78 4.98 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 1.41 0.00 0.00 35 R 8.77 4.26 0.00 1.84 1.96 0.00 3.19 0.00 0.00 3.07 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.42 0.00 36 D 8.51 4.50 0.00 2.80 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 37 R 8.77 3.86 0.00 2.01 1.97 0.00 3.39 0.00 0.00 3.29 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.14 0.00 38 S 8.45 4.42 0.00 3.98 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 39 D 7.49 4.35 0.00 2.81 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 40 Q 8.62 4.14 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.97 0.00 0.00 0.00 0.00 0.00 2.21 2.00 0.00 41 H 8.83 4.81 0.00 3.45 3.54 0.00 5.77 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.41 4.67 1.89 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.90 1.11 0.00 0.00 43 Q 7.95 4.27 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.90 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 44 L 8.74 5.17 0.00 1.62 1.48 0.84 0.48 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 45 Q 9.45 4.80 0.00 2.10 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 46 L 8.59 5.35 0.00 1.65 1.68 0.90 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.90 4.93 0.00 3.98 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 48 A 8.42 5.15 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 49 E 8.51 4.38 0.00 2.16 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 2.32 2.30 0.00 50 S 7.58 4.60 0.00 3.94 3.91 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 51 V 8.31 3.63 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 0.78 0.00 0.00 0.92 0.00 0.00 52 G 9.02 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 53 E 8.05 5.06 0.00 1.85 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.37 0.00 54 V 8.75 4.95 2.21 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 1.02 0.00 0.00 1.24 0.00 0.00 55 Y 9.31 4.90 0.00 2.94 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.66 4.41 1.75 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.67 0.72 0.00 0.00 57 K 9.07 4.83 0.00 1.41 1.50 0.00 1.21 0.00 0.00 0.90 0.00 0.00 2.72 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.01 0.68 7.81 58 S 8.66 4.78 0.00 3.90 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 59 T 8.52 3.84 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 1.17 0.00 0.00 60 E 8.08 4.01 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 2.10 2.27 0.00 61 T 7.74 4.41 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 1.26 0.00 0.00 62 G 8.01 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 7.32 4.55 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.71 6.72 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 64 Y 9.05 4.81 0.00 2.99 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.65 4.49 0.00 1.68 1.42 0.78 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.50 5.53 0.62 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 *68 D 8.68 4.98 0.00 2.98 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 69 T 8.64 4.16 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 70 D 8.55 4.70 0.00 2.76 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.78 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.27 4.76 0.00 2.13 1.68 0.92 1.16 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 73 L 8.48 4.84 0.00 1.58 1.63 0.92 0.90 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 74 Y 8.83 5.03 0.00 3.10 3.04 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 75 G 9.16 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 0.00 0.00 0.00 76 S 9.33 5.20 0.00 4.17 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 77 Q 9.01 4.55 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.52 0.00 0.00 0.00 0.00 0.00 2.44 2.34 0.00 78 T 7.69 4.74 4.23 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 1.25 0.00 0.00 79 P 0.00 4.05 0.00 1.46 0.71 0.00 3.57 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.28 0.00 80 N 8.02 5.01 0.00 2.93 3.02 0.00 0.00 5.88 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 81 E 8.69 3.89 0.00 2.02 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 2.26 2.31 0.00 82 E 8.14 4.13 0.00 2.16 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 2.40 2.38 0.00 83 C 7.95 5.25 0.00 3.39 3.20 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 84 L 7.16 4.01 0.00 1.40 1.21 0.12 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.43 5.15 0.00 3.11 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 9.20 4.64 0.00 1.54 1.58 0.84 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.98 4.44 0.00 2.07 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.85 0.00 88 R 8.44 4.67 0.00 1.83 1.85 0.00 3.34 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 89 L 8.49 4.72 0.00 1.52 1.65 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 90 E 9.11 4.32 0.00 2.24 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 2.61 2.52 0.00 91 E 8.95 3.64 0.00 1.93 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 2.27 2.39 0.00 92 N 7.88 4.38 0.00 2.90 3.01 0.00 0.00 6.18 7.90 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 93 H 8.83 4.20 0.00 3.17 3.41 0.00 5.80 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 8.03 5.00 0.00 3.12 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 95 N 9.60 5.60 0.00 2.83 2.53 0.00 0.00 6.67 7.09 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 96 T 8.42 5.31 4.67 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 1.56 0.00 0.00 97 Y 8.83 4.95 0.00 2.84 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 98 I 8.40 4.68 1.74 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 0.72 0.87 0.68 0.00 0.00 99 S 8.84 3.80 0.00 3.92 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 0.00 100 K 8.57 3.88 0.00 1.64 1.58 0.00 1.72 0.00 0.00 1.49 0.00 0.00 2.78 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.31 1.26 7.81 101 K 7.93 3.84 0.00 1.50 1.41 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.97 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.86 1.24 7.81 102 H 7.92 5.47 0.00 2.65 1.89 0.00 5.68 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.77 3.93 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 0.00 104 E 8.16 3.82 0.00 2.04 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 2.15 2.16 0.00 105 K 7.64 4.30 0.00 1.04 1.93 0.00 1.45 0.00 0.00 1.54 0.00 0.00 2.62 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.24 7.81 106 N 7.88 3.88 0.00 2.95 3.03 0.00 0.00 6.93 8.13 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 0.00 107 W 7.71 4.80 0.00 3.28 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 F 8.83 5.26 0.00 2.94 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 0.00 109 V 9.08 3.90 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 0.63 0.00 0.00 0.57 0.00 0.00 110 G 8.67 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.73 5.25 0.00 1.48 1.46 1.03 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 112 K 8.80 4.27 0.00 2.04 1.69 0.00 1.64 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.37 7.81 113 K 8.44 3.93 0.00 1.70 1.85 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.43 7.81 114 N 8.03 4.47 0.00 2.80 2.90 0.00 0.00 6.25 7.00 0.00 0.00 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 G 8.43 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 S 8.23 4.80 0.00 3.97 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 0.00 117 C 8.36 4.69 0.00 3.10 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 0.00 118 K 8.60 4.60 0.00 1.75 1.70 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.37 7.81 119 R 8.33 4.29 0.00 1.61 1.63 0.00 3.09 0.00 0.00 3.29 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 120 G 8.55 3.31 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 0.00 121 P 0.00 4.01 0.00 1.87 2.00 0.00 2.97 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.49 0.00 122 R 7.70 4.23 0.00 1.77 1.92 0.00 3.20 0.00 0.00 3.20 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 123 T 7.95 5.14 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 1.39 0.00 0.00 124 H 7.76 4.75 0.00 3.39 3.48 0.00 5.65 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.55 4.10 0.00 3.12 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 0.00 126 G 7.81 4.23 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 0.00 127 Q 7.52 4.62 0.00 1.82 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.60 6.77 0.00 0.00 0.00 0.00 0.00 2.06 1.82 0.00 128 K 8.34 3.53 0.00 1.67 1.65 0.00 1.60 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.32 7.81 129 A 8.09 4.02 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 0.00 130 I 6.80 4.58 1.78 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.20 0.60 0.00 0.00 131 L 7.45 4.69 0.00 1.07 0.94 0.50 0.97 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 0.00 132 F 9.49 5.50 0.00 3.25 3.20 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 0.00 133 L 9.36 5.20 0.00 2.06 1.76 0.60 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 5.15 0.00 2.07 2.10 0.00 3.77 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.32 0.00 135 L 9.08 5.05 0.00 1.66 1.53 0.92 0.85 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 0.00 136 P 0.00 4.63 0.00 2.15 2.04 0.00 3.91 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.93 0.00 137 V 8.41 3.65 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 0.78 0.00 0.00 0.92 0.00 0.00 138 S 7.14 5.00 0.00 3.86 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 0.00 139 S 7.93 3.66 0.00 3.99 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 0.00 140 D 8.17 4.87 0.00 2.76 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 * Residues marked with a * may have inaccurate shift predictions.