NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 A 4.2032 8.3645 123.5804 52.3519 19.6502 177.1987 *0 H 4.4343 8.4810 120.6188 51.5824 28.7323 167.3081 1 M 4.3036 9.0918 127.0754 54.9722 33.7440 174.2283 2 K 5.1101 8.4912 125.5547 54.6417 35.2537 176.4632 3 K 4.4644 8.6812 124.9382 55.4917 35.2126 174.7392 4 V 4.8588 8.4679 128.0042 60.2172 33.1324 175.3148 5 I 4.4349 8.6361 117.7988 59.4937 40.6323 174.9391 6 G 4.1638 8.6086 111.7450 43.7344 0.0000 172.2208 7 I 3.1573 8.0251 121.1389 62.8729 37.0395 176.6582 8 G 3.8475 8.6688 113.9907 45.2885 0.0000 172.5002 9 E 4.9170 7.8689 119.8671 55.6438 31.5495 174.6754 10 Y 5.4651 8.5665 117.7264 55.7576 41.6653 174.1306 11 A 4.1964 8.8657 120.7648 50.4654 23.3036 175.7491 12 V 4.6342 7.9896 119.3002 61.3597 33.1301 174.1724 13 M 4.6055 8.6036 126.9638 53.4490 35.1887 174.8574 14 K 4.4150 8.6568 124.1492 56.1570 34.0827 177.5414 15 N 4.0523 8.8540 121.6147 56.1925 38.5150 174.2990 16 P 4.3280 0.0000 0.0000 64.7456 32.0645 176.7468 17 G 3.8415 8.3846 107.4634 46.3879 0.0000 173.1202 18 V 4.8355 8.4667 120.0763 61.2735 34.9621 174.0243 19 I 4.7827 8.6847 129.9646 60.3112 38.6085 175.6303 20 V 4.7071 8.6821 127.4242 61.7326 35.3461 174.5009 21 T 4.6133 7.9814 112.3839 61.5391 69.9351 172.6779 22 L 4.2332 8.6809 128.1055 54.8140 42.9547 177.0646 23 G 3.7750 8.3631 107.9527 46.4746 0.0000 173.3699 24 L 4.3677 9.2451 120.4473 54.4174 43.7411 178.0807 25 G 3.9766 8.8156 114.6031 46.8638 0.0000 175.2526 26 S 4.6196 9.4006 125.0343 60.1913 64.9116 174.9950 27 C 4.8092 8.1569 118.9350 59.8622 29.4891 172.4970 28 V 4.4670 8.4039 122.2261 61.3564 33.6810 174.7469 29 A 4.9629 8.5660 130.2963 50.5239 19.3233 175.6304 30 V 4.0217 8.5583 122.0273 63.7147 32.8984 174.7858 31 C 5.1266 8.2649 124.4245 58.5302 32.8169 172.7566 32 M 5.6091 8.5093 116.2247 56.1387 34.8722 173.6299 33 R 4.8967 8.1578 115.4767 55.5083 33.9776 172.8022 34 D 4.7690 9.0868 117.8936 52.0055 42.8681 174.0699 35 P 4.3237 0.0000 0.0000 65.7302 31.5339 178.4375 36 V 3.7083 7.8058 116.3656 65.5801 31.7825 177.0675 37 A 3.9840 8.8704 122.5443 53.1565 19.0345 177.3046 38 K 3.8833 8.6514 115.3054 57.2967 29.9778 174.6128 39 V 4.8184 7.0568 110.2766 60.4562 37.2226 175.7477 40 G 4.6295 8.6671 107.9671 45.8123 0.0000 171.7441 41 A 5.4393 9.2636 121.5328 50.5568 23.4601 174.7471 42 M 5.1877 8.9856 117.5259 53.9571 36.1701 173.7188 43 A 5.1048 9.4123 126.8447 50.4914 23.0381 174.8451 44 H 5.0704 8.7842 122.1055 54.0447 29.3742 171.9529 45 V 4.3490 8.5043 120.8766 62.7968 32.0051 175.7827 46 M 4.2236 8.6627 128.3482 57.4155 33.1896 175.6241 47 L 4.8944 7.8724 116.9205 52.3621 46.3682 176.0505 48 P 4.3482 0.0000 0.0000 65.5943 32.0563 175.8082 49 D 5.2114 7.9917 118.5269 51.5399 44.2489 175.2381 50 S 2.7900 8.9082 121.2942 58.7728 63.2475 174.9575 51 G 3.6062 7.9719 107.8634 46.3083 0.0000 172.7424 52 G 3.5196 8.0611 106.4608 45.2877 0.0000 172.5647 53 K 4.5103 7.4558 121.0743 55.0004 36.0874 175.2615 54 T 4.4354 7.9352 117.2390 62.2786 69.5230 173.0126 55 D 4.4896 8.3353 124.6636 51.8116 42.1143 175.2921 56 K 3.7968 8.5230 117.9053 56.7856 32.5047 175.9392 57 P 4.2156 0.0000 0.0000 65.6729 31.6284 178.5944 58 G 3.8927 7.8260 106.5504 46.9990 0.0000 175.2461 59 K 3.8153 8.0110 121.2408 58.4019 32.5857 175.9941 60 Y 5.2317 7.5875 115.8942 55.1506 42.0449 175.5877 61 A 3.9997 8.8237 127.3136 55.7077 18.4526 179.7652 62 D 3.7454 7.6075 116.5755 56.9319 39.3160 178.6663 63 T 4.0731 7.7027 113.3924 63.5710 67.3929 176.5642 64 A 3.8760 8.3317 123.7894 55.0370 18.4244 179.8896 65 V 3.4355 7.5884 117.6187 64.8677 31.5246 178.4011 66 K 3.4152 7.4137 119.1165 59.2264 31.9629 178.9672 67 T 3.8919 8.1796 116.4608 66.4867 68.3885 176.8499 68 L 4.1691 8.3732 121.3923 57.6725 41.7089 179.8486 69 V 3.5299 7.9663 118.7904 65.8857 31.5085 178.0122 70 E 4.0189 8.0198 117.0092 59.5129 29.3169 178.6092 71 E 4.0160 8.4330 119.8048 58.8899 29.8182 178.5141 72 L 4.2016 7.9986 119.0621 57.6294 41.8169 179.5115 73 K 4.4095 7.9768 119.2520 58.4273 31.6126 179.2094 74 K 4.3546 7.6648 115.7201 56.6817 31.6105 177.7936 75 M 4.5741 7.6499 112.7881 55.7076 33.4588 173.8877 76 G 3.4055 8.6978 114.0805 45.9328 0.0000 174.7869 77 A 4.1178 7.6762 124.2948 52.3674 18.7711 176.2926 78 K 4.6502 9.4034 123.5943 54.5739 33.5485 177.1485 79 V 3.6105 8.5065 127.4127 65.0578 31.3817 178.3974 80 E 4.0733 8.2370 118.2634 58.3816 29.3960 177.4259 81 R 4.5917 8.7271 116.9198 55.7575 30.9487 176.6057 82 L 4.8591 7.7963 120.2539 54.1858 42.6108 176.3786 83 E 4.7454 8.8554 121.5340 54.6241 32.9897 174.8734 84 A 5.7285 8.5415 125.9938 50.0390 22.4505 175.6164 85 K 5.3990 8.3162 117.3773 55.3647 36.9087 175.2188 86 I 5.2749 8.7058 117.3108 58.1745 41.2980 174.4247 87 A 5.4097 8.0562 125.3687 49.9993 22.2586 175.9915 88 G 4.3402 8.9814 110.1676 47.0804 0.0000 171.8955 89 G 3.5149 8.1699 104.1968 46.7051 0.0000 172.9328 90 A 5.2246 8.4041 121.5487 49.9795 20.5127 177.4855 91 S 4.8377 7.6510 115.6233 56.4183 61.1614 173.7838 92 M 4.2555 7.6189 122.5888 56.9661 32.6055 177.3338 93 F 4.3570 7.7489 118.2046 56.6308 40.3765 175.3563 94 E 4.2790 8.7172 122.3020 56.6478 29.5052 177.9847 95 S 4.6148 8.2669 120.2348 56.0805 63.7054 173.8364 96 K 4.2385 7.9667 122.7320 57.4615 34.4960 180.3357 97 G 3.9390 8.2247 108.8037 45.5721 0.0000 176.9747 98 M 4.0263 8.5391 126.3391 54.8026 30.0175 176.1003 99 N 4.5499 8.5024 124.3240 52.8683 38.9324 174.6197 100 I 3.8403 8.3841 123.5801 63.6753 37.4228 178.3072 101 G 3.9852 8.0278 106.9229 47.0785 0.0000 175.4399 102 A 4.0288 7.8873 123.5561 54.8459 18.6268 179.6340 103 R 3.9297 8.1413 116.5273 59.5277 30.0658 179.1286 104 N 4.3341 7.9350 116.1731 56.1720 38.5869 177.3605 105 V 3.5642 7.3828 119.7135 66.0516 31.4974 177.5128 106 E 3.8735 8.2450 118.5230 59.4622 29.3750 178.7139 107 A 4.0256 7.9574 120.5458 55.1446 18.2680 179.7594 108 V 3.6527 7.9938 116.8326 65.8268 31.5522 178.2603 109 K 4.0965 8.1209 117.8475 58.4713 31.8784 179.0154 110 K 3.9210 7.7310 120.6199 59.8556 31.8796 178.5561 111 H 4.4932 7.9875 116.4606 58.8358 28.6131 177.9658 112 L 4.0629 7.8069 121.2113 57.3771 41.3048 179.4051 113 K 3.9962 7.8672 119.4547 59.5032 32.0992 178.3176 114 D 4.5577 8.5669 116.9003 55.7887 40.8417 177.2912 115 F 4.5581 7.9835 116.7969 55.9805 40.4342 175.2159 116 G 3.7205 8.4049 106.6070 46.9409 0.0000 174.1781 117 I 4.4099 8.2686 121.5399 58.8262 38.8299 176.3638 118 K 4.1430 8.5618 129.1243 56.2365 33.7138 176.1216 119 L 4.4844 8.4029 126.5807 53.7323 40.9619 176.4520 120 L 4.2461 8.6748 125.5033 57.6317 42.4332 177.3525 121 A 4.6086 7.7804 117.5961 51.5706 22.4808 175.0701 122 E 4.9715 8.4842 115.0741 55.5762 32.4661 174.7365 123 D 4.7651 9.1289 123.4822 52.8253 42.8258 173.9341 124 T 5.6000 7.1624 119.6169 58.7047 71.3878 174.6826 125 G 3.6821 9.2554 112.1798 44.8354 0.0000 178.1882 126 G 4.2310 8.7587 119.2496 44.7616 0.0000 172.3094 127 N 5.1419 8.3707 112.0857 52.1698 39.0318 173.9803 128 R 4.8671 7.8457 117.3201 54.0583 33.2901 175.1512 129 A 4.4539 8.3998 123.3878 52.8385 19.9449 176.1399 130 R 4.8510 8.6689 116.0971 55.2647 35.3264 174.7404 131 S 4.9748 8.5035 114.6208 56.8616 65.8970 173.2386 132 V 5.6505 8.1728 117.3800 58.7564 36.2777 174.6833 133 E 4.8372 8.5123 120.8181 55.3418 33.7415 173.8625 134 Y 5.0426 9.3793 127.9688 56.1871 40.3418 174.2532 135 N 4.7337 8.5483 127.8156 52.4146 39.1372 175.6970 136 I 3.4197 8.1637 128.9687 64.2565 37.5170 177.6240 137 E 4.0092 8.1644 120.1980 58.4783 28.1772 177.1187 138 T 4.3242 7.6461 105.9910 60.2122 70.1096 174.7070 139 G 3.7717 8.3182 110.1610 46.3641 0.0000 173.4682 140 K 4.2960 7.0908 118.4491 55.2607 33.8805 176.0760 141 L 5.0780 8.8387 127.3717 53.3827 43.3330 174.8631 142 L 4.6226 9.1136 130.4555 54.4581 42.7786 175.4224 143 V 5.0200 8.5228 127.3226 59.8409 34.2386 175.2013 144 R 5.5700 9.3693 120.6367 53.2618 31.5128 173.4428 145 K 4.7884 8.4535 123.9368 54.6188 34.5129 176.3528 146 V 4.1622 8.2187 117.2924 59.6609 33.3482 175.6627 *152 L 4.2329 8.4210 124.1917 53.8869 42.8726 177.8484 153 E 4.0074 7.5161 118.3836 58.1948 29.9920 175.7286 154 I 5.1801 7.0958 121.8478 59.7392 41.0983 175.1677 155 K 4.3298 8.3976 122.4803 56.2585 36.1709 174.1967 156 E 4.7350 8.9782 125.8467 55.1189 30.3811 176.3214 157 I 4.1133 8.6786 118.6762 60.9099 38.1073 175.7672 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 8.36 4.20 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 *0 H 8.48 4.43 0.00 2.98 2.86 0.00 7.21 0.00 0.00 0.00 0.00 6.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 9.09 4.30 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.56 0.00 2 K 8.49 5.11 0.00 1.65 1.68 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.55 1.34 7.81 3 K 8.68 4.46 0.00 1.84 1.60 0.00 1.48 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.29 1.41 7.81 4 V 8.47 4.86 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 0.81 0.00 0.00 0.94 0.00 0.00 5 I 8.64 4.43 1.90 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 1.36 0.77 0.90 0.00 0.00 6 G 8.61 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 7 I 8.03 3.16 1.77 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.33 0.82 0.00 0.00 8 G 8.67 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 9 E 7.87 4.92 0.00 2.20 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 2.32 2.26 0.00 10 Y 8.57 5.47 0.00 3.01 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 11 A 8.87 4.20 1.09 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 0.00 0.00 12 V 7.99 4.63 1.94 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 0.80 0.00 0.00 0.84 0.00 0.00 13 M 8.60 4.61 0.00 2.16 1.86 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 14 K 8.66 4.41 0.00 1.87 1.64 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.53 1.42 7.81 15 N 8.85 4.05 0.00 2.95 2.76 0.00 0.00 7.20 7.21 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 16 P 0.00 4.33 0.00 2.20 2.15 0.00 3.79 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 17 G 8.38 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 18 V 8.47 4.84 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 1.00 0.00 0.00 0.97 0.00 0.00 19 I 8.68 4.78 1.97 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 1.12 0.47 0.92 0.00 0.00 20 V 8.68 4.71 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 1.18 0.00 0.00 1.00 0.00 0.00 21 T 7.98 4.61 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 22 L 8.68 4.23 0.00 1.69 1.60 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.36 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 9.25 4.37 0.00 1.57 1.59 0.94 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.82 3.98 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 0.00 26 S 9.40 4.62 0.00 4.03 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 0.00 27 C 8.16 4.81 0.00 2.93 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 28 V 8.40 4.47 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 0.91 0.00 0.00 0.94 0.00 0.00 29 A 8.57 4.96 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 30 V 8.56 4.02 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 0.86 0.00 0.00 0.90 0.00 0.00 31 C 8.26 5.13 0.00 2.08 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 32 M 8.51 5.61 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.23 0.00 33 R 8.16 4.90 0.00 2.09 2.26 0.00 2.96 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 34 D 9.09 4.77 0.00 2.79 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 P 0.00 4.32 0.00 2.08 2.13 0.00 3.82 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 2.22 2.11 0.00 36 V 7.81 3.71 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 0.78 0.00 0.00 0.94 0.00 0.00 37 A 8.87 3.98 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 38 K 8.65 3.88 0.00 1.92 1.84 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.67 7.81 39 V 7.06 4.82 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 0.95 0.00 0.00 40 G 8.67 4.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 9.26 5.44 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 42 M 8.99 5.19 0.00 2.05 1.83 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 43 A 9.41 5.10 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 44 H 8.78 5.07 0.00 3.24 3.32 0.00 5.61 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.50 4.35 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 1.25 0.00 0.00 0.92 0.00 0.00 46 M 8.66 4.22 0.00 1.93 1.94 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 2.48 2.48 0.00 47 L 7.87 4.89 0.00 1.28 1.58 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 4.35 0.00 2.17 2.35 0.00 3.72 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.02 0.00 49 D 7.99 5.21 0.00 2.63 2.51 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 50 S 8.91 2.79 0.00 3.42 3.26 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 51 G 7.97 3.61 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 0.00 52 G 8.06 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 53 K 7.46 4.51 0.00 1.65 1.46 0.00 1.59 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.49 7.81 54 T 7.94 4.44 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 55 D 8.34 4.49 0.00 2.77 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.52 3.80 0.00 1.93 2.02 0.00 1.50 0.00 0.00 1.87 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.43 7.81 57 P 0.00 4.22 0.00 1.92 2.18 0.00 3.58 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 58 G 7.83 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 59 K 8.01 3.82 0.00 1.71 1.86 0.00 1.45 0.00 0.00 1.75 0.00 0.00 2.71 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.30 1.00 7.81 60 Y 7.59 5.23 0.00 3.03 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 61 A 8.82 4.00 1.43 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 62 D 7.61 3.75 0.00 2.68 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 63 T 7.70 4.07 4.22 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 1.38 0.00 0.00 64 A 8.33 3.88 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 65 V 7.59 3.44 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 0.82 0.00 0.00 0.71 0.00 0.00 66 K 7.41 3.42 0.00 1.94 1.83 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.51 1.82 7.81 67 T 8.18 3.89 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 0.91 0.00 0.00 68 L 8.37 4.17 0.00 1.98 1.70 1.26 0.82 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 69 V 7.97 3.53 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 1.19 0.00 0.00 0.67 0.00 0.00 70 E 8.02 4.02 0.00 2.31 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 2.50 2.34 0.00 71 E 8.43 4.02 0.00 2.26 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 2.63 2.50 0.00 72 L 8.00 4.20 0.00 1.88 1.72 0.97 0.72 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 73 K 7.98 4.41 0.00 2.02 1.90 0.00 1.72 0.00 0.00 1.81 0.00 0.00 3.17 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.64 1.57 7.81 74 K 7.66 4.35 0.00 2.02 1.86 0.00 1.97 0.00 0.00 1.79 0.00 0.00 3.09 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.50 1.74 7.81 75 M 7.65 4.57 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.57 0.00 76 G 8.70 3.41 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 0.00 77 A 7.68 4.12 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 78 K 9.40 4.65 0.00 1.77 1.70 0.00 1.58 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.33 1.39 7.81 79 V 8.51 3.61 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 0.80 0.00 0.00 1.09 0.00 0.00 80 E 8.24 4.07 0.00 1.98 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 2.33 2.42 0.00 81 R 8.73 4.59 0.00 1.87 1.96 0.00 3.17 0.00 0.00 3.24 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 82 L 7.80 4.86 0.00 1.69 1.62 0.95 0.70 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 83 E 8.86 4.75 0.00 1.94 1.86 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 2.31 2.47 0.00 84 A 8.54 5.73 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 85 K 8.32 5.40 0.00 1.70 1.63 0.00 1.83 0.00 0.00 1.92 0.00 0.00 3.33 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.56 7.81 86 I 8.71 5.27 1.83 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 1.20 1.72 0.86 0.00 0.00 87 A 8.06 5.41 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 88 G 8.98 4.34 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 0.00 89 G 8.17 3.51 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 90 A 8.40 5.22 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 91 S 7.65 4.84 0.00 3.88 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 M 7.62 4.26 0.00 1.81 2.06 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 2.60 2.47 0.00 93 F 7.75 4.36 0.00 3.06 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 94 E 8.72 4.28 0.00 2.02 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 2.34 2.30 0.00 95 S 8.27 4.61 0.00 3.82 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 K 7.97 4.24 0.00 1.85 1.84 0.00 1.49 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.51 7.81 97 G 8.22 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 0.00 0.00 0.00 98 M 8.54 4.03 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 99 N 8.50 4.55 0.00 2.87 2.79 0.00 0.00 6.85 7.91 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 0.00 100 I 8.38 3.84 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 1.59 0.67 0.93 0.00 0.00 101 G 8.03 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 0.00 102 A 7.89 4.03 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 0.00 103 R 8.14 3.93 0.00 1.99 2.03 0.00 3.15 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 104 N 7.94 4.33 0.00 2.99 2.87 0.00 0.00 6.54 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 V 7.38 3.56 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 0.99 0.00 0.00 1.03 0.00 0.00 106 E 8.24 3.87 0.00 2.09 1.94 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 2.31 2.34 0.00 107 A 7.96 4.03 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.99 3.65 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 1.01 0.00 0.00 0.98 0.00 0.00 109 K 8.12 4.10 0.00 1.87 1.84 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.69 7.81 110 K 7.73 3.92 0.00 1.74 1.82 0.00 1.55 0.00 0.00 1.31 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.41 7.81 111 H 7.99 4.49 0.00 3.27 3.42 0.00 5.87 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 L 7.81 4.06 0.00 1.85 1.93 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 113 K 7.87 4.00 0.00 2.11 1.85 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 114 D 8.57 4.56 0.00 2.98 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.98 4.56 0.00 3.09 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 0.00 116 G 8.40 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 0.00 0.00 0.00 117 I 8.27 4.41 2.02 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 1.18 0.83 0.93 0.00 0.00 118 K 8.56 4.14 0.00 1.91 1.69 0.00 1.61 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.55 7.81 119 L 8.40 4.48 0.00 1.58 1.64 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 120 L 8.67 4.25 0.00 1.71 1.76 0.94 0.82 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 0.00 121 A 7.78 4.61 1.21 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 0.00 0.00 122 E 8.48 4.97 0.00 2.02 1.88 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 2.17 2.28 0.00 123 D 9.13 4.77 0.00 2.79 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 T 7.16 5.60 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 1.29 0.00 0.00 125 G 9.26 3.68 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 0.00 0.00 0.00 126 G 8.76 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 N 8.37 5.14 0.00 2.72 2.96 0.00 0.00 5.75 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 0.00 128 R 7.85 4.87 0.00 1.65 1.81 0.00 3.20 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.56 0.00 129 A 8.40 4.45 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 0.00 130 R 8.67 4.85 0.00 1.86 1.76 0.00 3.06 0.00 0.00 3.33 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 131 S 8.50 4.97 0.00 3.97 3.64 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 0.00 132 V 8.17 5.65 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 1.04 0.00 0.00 0.92 0.00 0.00 133 E 8.51 4.84 0.00 1.88 1.82 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 2.31 2.31 0.00 134 Y 9.38 5.04 0.00 2.91 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 0.00 135 N 8.55 4.73 0.00 2.82 2.55 0.00 0.00 6.84 7.17 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 0.00 136 I 8.16 3.42 1.90 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 1.32 1.05 0.90 0.00 0.00 137 E 8.16 4.01 0.00 2.04 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 2.25 2.26 0.00 138 T 7.65 4.32 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 1.16 0.00 0.00 139 G 8.32 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 K 7.09 4.30 0.00 1.77 1.71 0.00 1.59 0.00 0.00 1.54 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.43 7.81 141 L 8.84 5.08 0.00 1.84 1.74 0.94 0.59 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 0.00 142 L 9.11 4.62 0.00 1.77 1.67 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 143 V 8.52 5.02 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 0.87 0.00 0.00 0.99 0.00 0.00 144 R 9.37 5.57 0.00 1.89 2.08 0.00 3.03 0.00 0.00 3.32 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.38 0.00 145 K 8.45 4.79 0.00 1.76 1.98 0.00 1.11 0.00 0.00 2.36 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.41 7.81 146 V 8.22 4.16 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 0.91 0.00 0.00 0.92 0.00 0.00 *152 L 8.42 4.23 0.00 1.65 1.75 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 153 E 7.52 4.01 0.00 1.99 1.88 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 2.40 2.29 0.00 154 I 7.10 5.18 1.87 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 1.40 0.61 0.91 0.00 0.00 155 K 8.40 4.33 0.00 1.74 1.87 0.00 1.30 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.40 7.81 156 E 8.98 4.74 0.00 1.88 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 2.28 2.30 0.00 157 I 8.68 4.11 1.89 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 1.27 0.66 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.