NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4961 8.1627 120.6230 55.2937 34.3455 173.3548 2 K 4.4805 8.4823 122.4343 54.9094 33.4211 172.3792 3 E 4.7499 9.6482 127.9406 55.1088 34.0132 173.6031 4 V 4.4984 8.5070 120.3795 60.8773 32.8441 175.3057 5 I 4.5339 8.6203 126.8147 59.7660 38.5529 175.0852 6 F 5.2080 8.7227 128.1640 56.8402 42.3666 173.5801 7 T 4.3052 7.9104 118.8277 60.2562 70.4108 173.6832 8 E 3.9872 8.3386 125.1794 58.6284 29.8687 177.4625 9 N 4.6266 7.8795 114.4378 53.1652 38.6552 174.4955 10 A 4.7812 7.2216 120.2493 49.0811 22.2651 174.5089 11 P 4.3270 0.0000 0.0000 62.4297 31.9561 176.5902 12 K 4.3670 8.5551 124.0088 55.3605 32.8101 174.7703 13 P 4.4038 0.0000 0.0000 62.7622 31.9419 175.6425 14 I 4.1589 8.2958 123.3086 62.2380 37.8320 174.7265 15 G 3.8456 8.7017 112.8211 43.5442 0.0000 170.8477 16 P 4.3405 0.0000 0.0000 62.7455 30.4033 174.2657 17 Y 4.9493 7.2766 114.0003 57.4826 42.4021 174.7277 18 S 4.9476 8.3644 115.3469 56.7588 67.1505 174.7256 19 Q 4.3471 8.9025 120.4331 59.1195 29.4509 176.2143 20 A 5.0432 7.6735 117.5552 51.3061 23.0470 175.0987 21 I 5.0323 8.8232 119.5447 59.5696 41.8184 174.5128 22 K 4.9655 9.2821 128.6152 55.0580 33.8747 174.9185 23 A 4.6892 9.2792 130.3964 50.1981 21.0572 175.4442 24 G 3.8911 8.5574 113.3367 48.0507 0.0000 173.8310 25 N 4.6360 8.8804 120.9520 53.3205 39.0708 173.8804 26 F 5.1575 8.3480 118.6208 55.8110 41.6341 174.5990 27 L 4.9273 8.8164 125.0172 53.4539 44.2802 175.1417 28 F 4.8510 9.6152 126.9739 56.2163 40.2553 175.0339 29 I 4.6115 8.4549 125.6608 59.7395 38.6152 176.0209 30 A 4.4840 9.0935 129.4114 51.3423 19.2429 177.4659 31 G 3.8124 8.6884 106.8040 46.8462 0.0000 172.9913 32 Q 5.0446 9.2770 123.0464 53.7813 31.9219 174.7466 33 I 4.8873 8.1347 115.2166 57.2849 41.0622 174.1788 34 P 4.6573 0.0000 0.0000 62.8428 28.9736 175.9675 35 I 4.6797 7.3039 119.5509 60.4736 39.3646 176.8383 36 D 4.5879 8.8886 128.1697 53.0118 41.1674 175.0612 37 P 4.3859 0.0000 0.0000 65.6178 31.4274 177.9345 38 K 4.1390 8.4094 117.9692 59.3506 32.3091 178.2527 39 T 3.9257 8.0181 111.6302 62.9889 67.4871 175.4108 40 G 3.9616 9.2627 108.4429 45.0126 0.0000 171.8246 41 E 4.9512 7.5346 116.8441 53.7300 33.7289 174.7670 42 I 4.9197 8.1648 112.8982 60.7434 38.4805 176.2993 43 V 3.6503 8.8119 117.3426 61.3477 32.6747 178.6091 44 K 4.2679 7.7210 119.3974 57.1268 34.5797 173.8740 45 G 3.3322 7.4508 107.8696 45.1352 0.0000 172.7843 46 D 4.9199 7.7261 120.3510 52.0134 44.4558 176.3602 47 I 3.6297 8.3060 125.3011 64.2216 37.9201 177.9657 48 K 3.8957 8.2989 119.6206 59.9172 32.1350 178.3830 49 D 4.4086 7.9653 117.9191 57.3759 40.7146 178.9039 50 Q 4.0265 8.3738 118.9184 59.2617 28.7258 178.8002 51 T 3.9407 8.3890 117.2636 66.2654 68.3579 176.9415 52 R 3.7157 7.9669 120.8693 59.3791 30.1547 178.1899 53 Q 4.0618 7.9972 119.3839 59.2116 28.9359 178.4458 54 V 3.5421 7.6289 118.9543 66.1959 31.5236 178.0123 55 L 3.7428 7.6319 118.5303 57.6835 41.2269 179.4286 56 E 4.0202 8.3164 119.0091 59.2805 29.4766 179.1598 57 N 4.2808 8.4156 116.9570 56.4100 38.6621 177.3912 58 I 3.7093 7.9901 121.5224 64.3067 37.2182 178.2608 59 K 3.9146 8.4343 120.5041 59.4367 31.9868 178.5264 60 A 3.9457 7.9590 120.8605 55.2747 18.3587 179.5693 61 I 3.5680 7.5358 117.6954 64.4941 37.1206 178.3669 62 L 3.9424 7.9521 119.6647 58.1998 41.6767 179.4764 63 E 3.9746 8.7258 118.2499 59.5936 29.1776 179.4698 64 A 4.0525 8.4552 119.7954 54.4609 18.4812 178.5049 65 A 4.5058 7.8166 116.9060 51.6502 19.0251 177.6643 66 G 3.8544 7.9047 105.3683 46.6611 0.0000 173.2961 67 Y 4.6186 8.2865 116.7970 55.7546 40.7390 174.4582 68 S 4.9075 8.1365 113.6476 56.0868 66.4442 175.1821 69 L 4.1829 8.4817 119.6524 57.9719 41.3183 178.9362 70 N 4.7213 7.6867 113.0457 53.9983 37.4973 175.2467 71 D 4.6218 8.0530 119.4158 55.2589 41.6850 176.6232 72 V 4.1399 7.7729 120.5016 62.9087 31.9343 175.2119 73 I 4.4131 8.9560 120.6108 61.1976 40.3421 175.4407 74 K 5.0267 7.7604 123.0002 54.5585 36.0288 175.1340 75 V 4.8776 8.8549 126.1731 61.4166 35.3431 173.9838 76 T 4.9224 8.8419 123.5926 61.6146 71.8421 172.9477 77 V 4.7102 8.7241 126.2253 61.2026 34.4871 173.5539 78 Y 5.1643 8.8629 125.7135 56.3802 40.1387 174.9776 79 L 5.1239 8.7104 123.6958 52.6272 45.6706 176.1701 80 K 4.5786 7.9789 123.5283 55.6827 29.7665 176.9377 81 D 4.2169 7.7953 124.1266 53.9781 39.3376 174.3777 *83 N 4.4044 8.6356 120.2682 54.2994 37.9134 169.9131 84 D 4.9710 8.4274 124.3572 52.8122 40.9310 175.6689 *85 F 4.9257 7.8039 117.5947 57.5576 37.7952 179.7150 86 A 4.5632 7.9137 126.9853 54.0400 22.6949 179.9888 87 K 4.0820 7.8122 120.2043 59.8290 31.7260 180.5572 88 M 4.2064 8.2015 118.5842 59.2176 31.8716 178.0772 89 N 4.4479 7.8480 115.5971 56.0314 38.4101 177.0457 90 E 3.9652 7.9458 120.3063 59.3538 29.9395 178.8075 91 V 4.6721 7.7491 119.1558 65.6810 31.6855 177.1218 92 Y 4.0265 8.3247 119.1745 60.7316 38.6150 178.0602 93 A 4.2096 8.7354 122.1079 55.0327 18.4372 179.3538 94 E 3.8784 8.1492 117.2393 59.7803 29.3097 178.9049 95 Y 3.8478 7.8908 114.5874 59.0556 38.5319 176.1722 96 F 5.1030 8.0634 115.6344 56.6751 40.7667 176.7455 97 G 3.8207 8.7097 112.2860 48.4549 0.0000 175.0150 98 E 4.2302 8.2321 119.5617 58.5583 30.0438 177.6721 99 S 4.2089 8.1999 111.1053 59.2534 63.4742 174.2740 100 K 3.8996 7.8534 114.7233 57.0724 29.0454 172.3301 101 P 4.6165 0.0000 0.0000 61.4277 32.8626 175.8262 102 A 4.1394 8.8333 124.1793 52.4110 19.2562 176.7868 103 R 5.0515 8.4504 120.9807 54.5891 34.0127 175.1282 104 V 4.3478 8.3362 122.1614 61.4657 34.7633 173.4268 105 A 5.2227 8.5695 129.6799 50.0481 21.5055 175.2613 106 V 4.5161 8.4758 120.7611 60.2771 35.4382 173.5161 107 E 5.0900 8.7537 121.3902 55.2497 31.4228 175.6451 108 V 4.2587 8.8697 117.7430 60.2855 34.8468 174.4650 109 S 4.2758 9.0362 116.6875 59.5835 63.3136 173.8182 110 R 4.6809 7.6113 122.9724 54.5619 33.5004 174.8733 111 L 4.7926 7.9550 121.5411 51.6050 45.2677 174.1893 112 P 4.2415 0.0000 0.0000 64.5511 31.4717 177.1611 113 K 3.8964 9.3717 120.1161 56.9445 29.5694 175.4243 114 D 4.4876 8.5290 116.3913 55.1973 38.5422 174.4209 115 V 3.8898 7.2861 113.2873 61.8678 32.0983 175.7052 116 L 4.5606 8.7155 118.9266 55.9923 43.0685 176.8959 117 I 4.9862 7.5243 116.9212 59.6262 41.4030 173.6790 118 E 5.0107 9.1991 127.9934 54.8412 33.3729 173.9030 119 I 5.2986 8.8797 127.0121 59.4509 41.2044 174.2456 120 E 5.1833 9.1250 123.0004 54.7818 33.0889 174.5466 121 A 5.2041 8.2811 121.1298 50.8295 23.7147 174.9783 122 I 4.9162 8.8388 119.4646 59.4617 40.6011 174.9662 123 A 5.3003 8.8628 128.3542 50.3794 22.4334 174.4372 124 Y 4.8907 9.1110 120.3322 55.7258 41.8884 174.6084 125 K 4.1186 7.6994 127.2991 54.1037 34.8917 175.7859 126 E 3.7706 8.2889 124.4099 56.4405 29.7852 176.4707 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 8.16 4.50 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.58 0.00 2 K 8.48 4.48 0.00 1.91 1.70 0.00 1.84 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.52 7.81 3 E 9.65 4.75 0.00 2.11 1.77 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 2.25 2.33 0.00 4 V 8.51 4.50 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 0.77 0.00 0.00 0.97 0.00 0.00 5 I 8.62 4.53 2.03 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 1.09 0.44 0.91 0.00 0.00 6 F 8.72 5.21 0.00 2.99 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 7 T 7.91 4.31 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 8 E 8.34 3.99 0.00 1.94 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 2.26 2.28 0.00 9 N 7.88 4.63 0.00 2.67 2.80 0.00 0.00 6.69 7.38 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 10 A 7.22 4.78 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.33 0.00 2.08 2.03 0.00 3.83 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 2.04 2.22 0.00 12 K 8.56 4.37 0.00 1.88 1.81 0.00 1.85 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.46 7.81 13 P 0.00 4.40 0.00 2.47 2.16 0.00 4.02 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 14 I 8.30 4.16 1.93 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 1.39 0.90 0.95 0.00 0.00 15 G 8.70 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 16 P 0.00 4.34 0.00 1.76 1.87 0.00 3.47 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 1.64 0.00 17 Y 7.28 4.95 0.00 2.96 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 18 S 8.36 4.95 0.00 3.88 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.90 4.35 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.71 0.00 0.00 0.00 0.00 0.00 2.57 2.62 0.00 20 A 7.67 5.04 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 21 I 8.82 5.03 1.96 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 1.17 0.71 0.97 0.00 0.00 22 K 9.28 4.97 0.00 1.83 1.75 0.00 1.80 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.65 7.81 23 A 9.28 4.69 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 24 G 8.56 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 25 N 8.88 4.64 0.00 2.46 2.48 0.00 0.00 6.77 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 26 F 8.35 5.16 0.00 3.38 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 27 L 8.82 4.93 0.00 0.81 1.07 0.72 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 28 F 9.62 4.85 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 I 8.45 4.61 2.03 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 1.14 0.86 0.94 0.00 0.00 30 A 9.09 4.48 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 31 G 8.69 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 9.28 5.04 0.00 1.93 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.60 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 33 I 8.13 4.89 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 1.41 0.68 0.91 0.00 0.00 34 P 0.00 4.66 0.00 2.14 2.49 0.00 3.69 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.19 0.00 35 I 7.30 4.68 1.88 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 1.24 0.61 0.92 0.00 0.00 36 D 8.89 4.59 0.00 2.78 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 37 P 0.00 4.39 0.00 2.20 2.08 0.00 3.81 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.18 0.00 38 K 8.41 4.14 0.00 1.88 1.90 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.37 7.81 39 T 8.02 3.93 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 1.37 0.00 0.00 40 G 9.26 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 41 E 7.53 4.95 0.00 2.00 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 2.25 2.28 0.00 42 I 8.16 4.92 1.88 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 1.36 1.00 0.92 0.00 0.00 43 V 8.81 3.65 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 1.04 0.00 0.00 44 K 7.72 4.27 0.00 1.74 1.86 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.55 7.81 45 G 7.45 3.33 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 0.00 46 D 7.73 4.92 0.00 2.79 2.52 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 47 I 8.31 3.63 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 1.54 1.24 0.92 0.00 0.00 48 K 8.30 3.90 0.00 1.88 2.09 0.00 1.79 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.56 7.81 49 D 7.97 4.41 0.00 2.78 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 50 Q 8.37 4.03 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.64 0.00 51 T 8.39 3.94 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 1.32 0.00 0.00 52 R 7.97 3.72 0.00 2.03 2.10 0.00 3.19 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 53 Q 8.00 4.06 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.56 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 54 V 7.63 3.54 2.19 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 1.07 0.00 0.00 1.04 0.00 0.00 55 L 7.63 3.74 0.00 1.30 0.13 0.89 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.32 4.02 0.00 2.12 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 2.45 2.57 0.00 57 N 8.42 4.28 0.00 2.87 2.85 0.00 0.00 7.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 7.99 3.71 2.01 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.91 1.01 0.00 0.00 59 K 8.43 3.91 0.00 2.04 1.99 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.56 1.53 7.81 60 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 61 I 7.54 3.57 1.99 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 1.49 0.89 0.89 0.00 0.00 62 L 7.95 3.94 0.00 1.96 1.83 1.05 0.87 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 63 E 8.73 3.97 0.00 2.24 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 2.34 2.36 0.00 64 A 8.46 4.05 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 65 A 7.82 4.51 1.25 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 0.00 0.00 0.00 66 G 7.90 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 67 Y 8.29 4.62 0.00 2.99 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 68 S 8.14 4.91 0.00 4.05 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 69 L 8.48 4.18 0.00 1.78 1.80 0.97 0.46 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 70 N 7.69 4.72 0.00 2.78 2.98 0.00 0.00 7.00 7.94 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 71 D 8.05 4.62 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 72 V 7.77 4.14 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 0.44 0.00 0.00 1.16 0.00 0.00 73 I 8.96 4.41 1.87 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.01 0.99 0.00 0.00 74 K 7.76 5.03 0.00 1.77 1.58 0.00 1.64 0.00 0.00 1.73 0.00 0.00 2.80 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.38 7.81 75 V 8.85 4.88 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.49 0.00 0.00 76 T 8.84 4.92 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 0.60 0.00 0.00 77 V 8.72 4.71 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 0.97 0.00 0.00 0.90 0.00 0.00 78 Y 8.86 5.16 0.00 2.93 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 79 L 8.71 5.12 0.00 1.65 1.55 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 80 K 7.98 4.58 0.00 1.72 1.74 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.59 7.81 81 D 7.80 4.22 0.00 2.87 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *83 N 8.64 4.40 0.00 2.77 2.71 0.00 0.00 6.24 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 D 8.43 4.97 0.00 2.57 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 *85 F 7.80 4.93 0.00 2.29 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 0.00 0.00 0.00 86 A 7.91 4.56 1.25 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 0.00 0.00 0.00 87 K 7.81 4.08 0.00 1.90 1.83 0.00 1.84 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.31 7.81 88 M 8.20 4.21 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.67 0.00 89 N 7.85 4.45 0.00 3.09 2.87 0.00 0.00 6.66 7.54 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 90 E 7.95 3.97 0.00 2.01 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 2.36 2.35 0.00 91 V 7.75 4.67 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 0.94 0.00 0.00 1.03 0.00 0.00 92 Y 8.32 4.03 0.00 3.31 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 93 A 8.74 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.15 3.88 0.00 2.23 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 2.31 2.54 0.00 95 Y 7.89 3.85 0.00 1.98 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 F 8.06 5.10 0.00 2.91 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 97 G 8.71 3.82 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 0.00 0.00 0.00 98 E 8.23 4.23 0.00 1.95 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 2.27 2.24 0.00 99 S 8.20 4.21 0.00 4.09 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 K 7.85 3.90 0.00 1.90 1.86 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.47 0.00 0.00 0.00 0.00 1.48 1.62 7.81 101 P 0.00 4.62 0.00 1.73 1.88 0.00 3.73 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.93 0.00 102 A 8.83 4.14 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 0.00 103 R 8.45 5.05 0.00 1.72 1.67 0.00 3.20 0.00 0.00 2.81 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.33 0.00 104 V 8.34 4.35 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 0.61 0.00 0.00 0.88 0.00 0.00 105 A 8.57 5.22 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 V 8.48 4.52 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 0.70 0.00 0.00 0.95 0.00 0.00 107 E 8.75 5.09 0.00 1.87 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 2.23 2.31 0.00 108 V 8.87 4.26 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 0.80 0.00 0.00 1.02 0.00 0.00 109 S 9.04 4.28 0.00 3.85 3.75 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 0.00 110 R 7.61 4.68 0.00 1.70 1.73 0.00 3.16 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.59 0.00 111 L 7.96 4.79 0.00 1.69 1.48 1.04 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 4.24 0.00 2.14 1.98 0.00 3.67 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 2.22 2.06 0.00 113 K 9.37 3.90 0.00 1.89 1.91 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.50 7.81 114 D 8.53 4.49 0.00 2.82 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 0.00 115 V 7.29 3.89 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 0.72 0.00 0.00 1.07 0.00 0.00 116 L 8.72 4.56 0.00 1.75 1.71 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 117 I 7.52 4.99 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 1.28 0.89 0.94 0.00 0.00 118 E 9.20 5.01 0.00 2.10 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 2.33 2.48 0.00 119 I 8.88 5.30 1.94 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.61 1.08 0.00 0.00 120 E 9.12 5.18 0.00 2.09 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 2.34 2.26 0.00 121 A 8.28 5.20 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 0.00 122 I 8.84 4.92 1.80 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 0.97 0.65 0.63 0.00 0.00 123 A 8.86 5.30 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 0.00 124 Y 9.11 4.89 0.00 2.61 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 0.00 125 K 7.70 4.12 0.00 0.79 0.86 0.00 1.48 0.00 0.00 1.43 0.00 0.00 2.16 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.93 0.98 7.81 126 E 8.29 3.77 0.00 2.04 1.83 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 2.16 2.21 0.00 * Residues marked with a * may have inaccurate shift predictions.