NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4541 8.1933 115.4154 58.1760 64.4434 171.6812 3 L 4.7543 8.0426 120.2692 52.4429 43.3634 175.4873 4 A 4.1079 8.7432 124.9387 51.4133 20.2447 177.0734 5 K 4.7747 8.2443 122.1861 55.6987 30.3676 174.8255 6 N 5.5412 7.8655 120.0890 51.3943 44.3801 173.9129 7 I 4.8462 8.5783 120.9798 59.6818 39.9444 175.0774 8 V 4.7300 8.7298 126.9915 61.0944 33.8648 174.0067 9 F 5.2441 9.6756 127.7720 56.2775 40.5743 175.1070 10 I 4.8706 9.6877 116.8383 57.5051 41.6230 175.2779 11 G 4.1072 8.1778 110.2901 43.6762 0.0000 173.5245 12 F 4.4824 8.0396 125.8370 59.1029 37.1727 176.7617 *14 G 4.0353 9.2434 111.8608 44.9847 0.0000 174.1351 15 S 4.2382 8.1117 113.2505 58.3969 63.6122 174.6818 16 G 3.8529 7.8197 110.3100 47.0557 0.0000 176.3739 17 K 3.8428 8.2305 120.9541 59.2221 32.0869 179.0668 18 S 4.2317 7.9944 114.8501 61.8741 62.8316 176.6571 19 T 3.6772 7.7245 117.8367 66.6189 68.1846 176.3345 20 L 3.7112 7.8228 121.9603 57.7650 41.9731 178.7164 21 A 3.5665 7.5124 121.0017 54.9084 18.2592 179.6221 22 R 2.6387 7.3106 116.8669 59.0383 29.9467 178.6076 23 A 3.8298 7.7230 120.6292 55.0193 18.2525 179.4100 24 L 3.8635 8.1459 119.0004 57.9860 42.0762 178.9860 25 A 3.9911 8.1099 120.9701 55.0779 18.2393 179.5189 26 K 3.8389 8.0855 118.1862 59.6784 32.0515 178.4486 27 D 4.3187 8.1302 117.3325 56.8105 41.2784 177.3080 28 L 4.3811 8.0034 116.2476 53.2568 42.8786 175.5465 29 D 4.3279 7.6275 117.5507 55.6432 39.7605 172.1414 30 L 4.8266 7.9803 117.5366 52.6935 45.3257 177.7261 31 V 3.9617 8.2584 120.0150 62.8161 32.8615 174.4539 32 F 5.5126 8.8424 129.6548 56.9253 40.4826 174.5295 33 L 4.6335 8.8022 126.3101 52.8068 45.1529 175.2433 34 D 5.1106 8.1815 121.1502 51.8919 43.8477 175.9940 35 S 4.3523 9.2769 122.7529 61.8712 62.8344 176.3142 36 D 4.5420 8.3404 122.0275 57.1896 40.6480 178.3823 37 F 4.1905 8.5273 120.8439 61.3807 39.3473 177.1606 38 L 3.8798 8.3472 118.7573 57.6545 41.4492 179.5961 39 I 3.7895 8.0036 119.9298 64.3170 37.0793 178.1463 40 E 4.5582 8.4197 121.1151 59.1180 29.0991 179.5638 41 Q 3.7750 7.7656 116.9871 58.7114 28.7739 178.3849 42 K 3.7915 7.8201 119.6030 58.7699 32.2818 177.9132 43 F 4.4375 7.8334 114.6788 55.9361 40.0235 174.8913 44 N 4.1981 8.0759 116.3594 53.8511 37.9890 173.4415 45 Q 4.7755 7.4885 113.0485 53.3355 33.4686 174.8599 46 K 4.6238 9.4584 120.6964 55.9243 34.1003 178.5360 47 V 3.8052 9.1350 122.7339 66.6280 31.3799 178.7193 48 S 4.1591 8.1785 113.1311 61.7301 62.6351 176.2990 49 E 3.9953 8.1639 121.6151 59.0288 29.2769 179.1322 50 I 3.6106 7.9824 119.9068 64.3592 37.1945 178.4513 51 F 3.9649 8.5033 118.9137 60.4831 38.5205 177.2929 52 E 3.9553 8.2120 117.6415 59.3619 29.5212 178.4292 53 Q 4.1497 8.0574 116.5271 57.8710 29.2826 177.1037 54 K 3.8867 8.0849 116.9719 55.5845 32.9795 177.6375 55 R 4.3058 7.9325 116.4591 55.7352 29.8839 176.8168 56 E 4.0167 8.8240 118.2067 59.8637 29.5076 178.3827 57 N 4.3587 8.2553 115.9270 56.3594 38.6160 176.9573 58 F 4.2945 8.1357 122.7991 60.6469 39.4931 176.7823 59 F 3.8201 7.9962 120.2632 61.3629 39.1067 177.3318 60 R 4.0447 8.4720 118.0692 59.2356 29.5658 178.9030 61 E 3.8120 8.0519 118.5058 59.4815 29.1820 179.4369 62 Q 3.7639 7.3492 117.0300 58.7921 28.7371 178.3061 63 E 4.0588 7.6533 119.0807 59.2136 29.6105 178.8159 64 Q 3.9367 7.8929 119.8242 58.6754 29.0186 178.9686 65 K 4.1960 7.7635 118.0905 56.4456 32.0029 178.8696 *67 A 4.5702 7.9917 123.7362 52.5552 20.5047 179.5855 68 D 4.3545 8.2810 114.6742 57.6410 41.1594 178.5796 69 F 4.2664 8.2801 121.0350 61.3912 39.3672 177.2081 70 F 4.4600 7.8529 117.1826 60.3473 38.5717 177.4148 71 S 4.5115 8.0192 113.1345 60.4044 62.9592 175.6121 72 S 4.5083 7.7697 116.5549 58.1867 63.6298 172.9059 73 C 4.7675 7.2251 116.6087 56.2476 32.0184 172.2450 74 E 4.7451 7.8836 115.7561 55.5811 32.4101 174.2459 75 K 3.7953 8.9236 115.9579 58.0576 30.1723 175.0924 76 A 5.2681 8.1221 118.6023 50.3508 22.9632 176.0841 77 C 5.1915 9.3675 117.8178 58.2017 30.7820 173.1417 78 I 4.9568 9.1892 125.2030 59.3636 39.8195 174.5318 79 A 5.2508 9.1572 129.2827 50.5683 21.6423 175.7489 80 T 5.1839 7.6792 109.3398 58.3621 72.7266 174.1191 81 G 4.1381 8.8203 111.8303 44.9350 0.0000 174.8982 82 G 3.9647 8.8389 108.5044 48.2396 0.0000 174.8339 83 G 4.0805 8.2285 106.6092 45.4902 0.0000 175.0180 84 F 4.2115 8.6241 123.6347 60.6958 39.5861 177.5297 85 V 3.8408 8.0812 112.7475 63.9602 31.3660 176.6069 86 N 4.5044 8.0493 115.8193 54.3936 38.6242 175.8743 87 V 3.7819 7.3181 111.9576 61.0601 32.2123 175.8229 88 S 4.4689 8.8873 118.2844 58.8453 63.9886 173.9404 89 N 4.7665 8.6280 117.0895 53.2390 36.1345 176.5662 90 L 4.0913 8.0427 120.9539 58.2727 41.8576 177.1390 91 E 4.0063 8.2852 117.1084 59.4153 29.3149 178.9159 92 K 4.5023 8.4430 119.6048 57.8125 31.8830 178.6861 93 A 4.3786 8.0676 120.8316 53.5489 18.7338 177.6664 94 G 4.3716 6.8936 102.6333 45.2189 0.0000 171.5315 95 F 4.3920 8.5477 123.8860 58.3651 40.2190 174.6887 96 C 4.8382 9.3942 125.8488 58.9505 29.6559 172.8472 97 I 4.7479 8.6471 125.6004 59.6932 39.1475 174.1690 98 Y 5.0294 8.7296 129.9112 56.5484 39.8621 174.6821 99 L 4.5702 8.9008 128.8759 53.9796 41.8860 176.0847 100 K 4.0576 8.3767 126.5047 54.6907 33.8289 175.0710 101 A 4.8124 8.1604 126.4744 50.7591 22.2816 175.7650 102 D 4.7258 9.4144 119.5577 53.5385 41.7679 177.8775 103 F 3.4907 8.3661 123.5796 61.4276 38.9022 177.4956 104 E 3.7666 7.9780 116.6364 58.9260 29.3753 178.1557 105 Y 4.1282 7.6984 119.5116 60.4982 39.0889 177.2939 106 L 4.0496 8.1255 120.2765 57.4876 41.4981 179.5568 107 K 3.8428 7.5617 117.9550 59.2260 32.4740 178.4702 108 K 4.1534 7.2738 117.4378 56.8013 32.1389 177.2475 109 R 4.2602 7.5560 120.4428 57.5965 31.3418 177.4423 110 L 4.2318 7.4733 116.3679 54.0538 44.9210 175.5207 *122 Y 4.4141 8.2982 122.5332 54.3948 38.8443 172.7385 123 D 4.7812 8.1708 127.1071 52.9753 42.3294 175.4851 124 E 4.2215 8.6311 127.4092 59.2232 29.6977 179.2154 125 I 3.6943 7.7872 119.5250 64.3772 37.3283 178.4588 126 K 4.0126 8.9675 119.5493 59.2016 31.8131 179.3449 127 A 4.1778 8.4138 121.5684 55.1639 18.3583 179.6372 128 K 2.6045 7.6597 118.0646 58.8546 32.1672 178.9242 129 K 3.8724 7.7427 119.5965 59.4097 32.2298 178.5999 130 L 4.0352 8.0733 120.6526 58.0673 41.8510 178.1622 131 Y 3.7651 8.3380 119.9829 60.8371 38.4519 177.8670 132 N 4.2898 8.3666 116.2248 56.5643 38.7170 177.0313 133 E 4.0568 7.9738 118.6445 58.8590 29.8302 178.8208 134 R 3.9635 7.6806 116.9875 57.1871 30.3369 178.4079 135 L 3.9229 7.3189 119.4520 58.1007 41.6526 179.6754 136 S 4.0496 7.8988 113.1151 61.2659 62.7922 176.6173 137 K 3.8083 7.5988 121.4637 59.3948 31.4859 178.5513 138 Y 4.0295 7.1094 116.8771 61.2159 37.4309 178.8551 139 E 4.0996 7.9007 118.2523 59.4302 29.6530 179.1850 140 Q 4.1248 8.0498 116.7476 58.6411 28.8858 177.7008 141 K 4.2408 7.8460 117.5518 55.5663 32.8768 176.7665 142 A 4.1803 7.1067 123.1880 52.1013 18.9269 177.3488 143 N 4.5525 8.5419 120.3855 54.9160 39.7325 175.7443 144 F 5.0079 7.6495 120.9682 56.9162 43.0748 172.9241 145 I 4.3737 8.2184 127.1935 59.6930 38.5132 174.8089 146 L 4.0185 8.1068 130.7472 52.7708 43.7320 175.0931 147 N 4.6773 8.4725 126.3985 53.2340 38.8460 174.6565 148 I 4.0671 8.3088 119.1012 61.2941 38.5450 175.7742 149 E 3.4271 8.0279 122.1110 57.5489 29.5207 176.2287 150 N 4.3655 8.9363 119.2019 54.3214 36.7759 174.3143 151 K 4.7623 7.6719 115.1646 54.1013 35.4930 177.0161 152 N 4.7516 9.2243 122.1036 51.6878 40.0140 176.1687 153 I 3.6293 8.1439 119.4926 64.4540 37.8880 177.2562 154 D 4.3543 8.1080 119.1087 57.4322 40.7117 178.5172 155 E 3.9817 8.9742 119.4808 59.3379 29.4294 179.4103 156 L 4.0589 8.0834 119.0220 57.7645 41.6172 179.4697 157 L 4.0304 8.2542 119.2469 57.9984 41.5663 179.7637 158 S 4.1136 8.2468 115.0268 61.6483 62.9052 176.4211 159 E 3.9864 8.3348 121.8993 59.3291 29.3104 179.0030 160 I 3.8085 8.1167 119.9559 64.4159 37.2676 178.5975 161 K 3.9163 8.4081 119.6174 59.1411 31.6363 179.3901 162 K 3.9056 8.0390 120.2180 59.2850 31.8941 179.0748 163 V 3.3808 7.2233 117.2655 65.6421 31.5472 177.3277 164 I 3.6694 7.4999 109.2789 59.9305 38.9007 175.1195 165 K 3.6784 7.2852 118.7829 57.7583 29.2939 175.5351 166 E 4.2192 8.5760 122.1411 56.5005 29.5442 176.7307 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 2 S 8.19 4.45 0.00 4.03 4.10 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 0.00 0.00 0.00 3 L 8.04 4.75 0.00 1.65 1.68 0.96 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 4 A 8.74 4.11 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 5 K 8.24 4.77 0.00 1.86 1.72 0.00 1.64 0.00 0.00 1.81 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.45 7.81 6 N 7.87 5.54 0.00 2.79 2.70 0.00 0.00 6.84 7.25 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 7 I 8.58 4.85 1.92 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 1.13 0.65 0.65 0.00 0.00 8 V 8.73 4.73 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 0.82 0.00 0.00 0.90 0.00 0.00 9 F 9.68 5.24 0.00 3.07 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 10 I 9.69 4.87 2.09 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.24 1.05 0.00 0.00 11 G 8.18 4.11 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 0.00 0.00 0.00 12 F 8.04 4.48 0.00 3.34 2.96 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 *14 G 9.24 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 15 S 8.11 4.24 0.00 4.07 4.11 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 16 G 7.82 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 17 K 8.23 3.84 0.00 1.87 1.96 0.00 1.91 0.00 0.00 1.90 0.00 0.00 3.18 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.66 1.59 7.81 18 S 7.99 4.23 0.00 3.90 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 19 T 7.72 3.68 4.29 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 1.12 0.00 0.00 20 L 7.82 3.71 0.00 1.60 1.22 0.86 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.51 3.57 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 22 R 7.31 2.64 0.00 0.67 1.53 0.00 2.95 0.00 0.00 2.95 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.02 0.00 23 A 7.72 3.83 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 24 L 8.15 3.86 0.00 1.87 1.72 0.97 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.11 3.99 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.09 3.84 0.00 1.77 1.75 0.00 1.60 0.00 0.00 1.53 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.42 7.81 27 D 8.13 4.32 0.00 2.76 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.00 4.38 0.00 1.71 1.68 0.93 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 29 D 7.63 4.33 0.00 2.72 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 30 L 7.98 4.83 0.00 1.57 1.76 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.26 3.96 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 0.98 0.00 0.00 0.98 0.00 0.00 32 F 8.84 5.51 0.00 2.91 2.94 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 33 L 8.80 4.63 0.00 1.43 1.61 1.15 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.18 5.11 0.00 2.18 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 35 S 9.28 4.35 0.00 4.29 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 36 D 8.34 4.54 0.00 3.08 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 37 F 8.53 4.19 0.00 3.17 3.17 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 0.00 0.00 0.00 0.00 38 L 8.35 3.88 0.00 1.90 1.63 1.11 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 39 I 8.00 3.79 2.09 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 1.45 1.13 1.02 0.00 0.00 40 E 8.42 4.56 0.00 2.07 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 2.66 2.57 0.00 41 Q 7.77 3.77 0.00 1.80 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.96 0.00 0.00 0.00 0.00 0.00 1.34 1.72 0.00 42 K 7.82 3.79 0.00 1.47 1.71 0.00 1.50 0.00 0.00 1.43 0.00 0.00 2.56 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.30 0.97 7.81 43 F 7.83 4.44 0.00 3.17 3.29 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 44 N 8.08 4.20 0.00 2.80 2.86 0.00 0.00 6.92 6.93 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 45 Q 7.49 4.78 0.00 2.21 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.81 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.64 0.00 46 K 9.46 4.62 0.00 1.76 1.78 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.63 7.81 47 V 9.13 3.81 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 1.19 0.00 0.00 1.26 0.00 0.00 48 S 8.18 4.16 0.00 4.09 4.12 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 49 E 8.16 4.00 0.00 2.15 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 0.00 2.42 2.43 0.00 50 I 7.98 3.61 2.12 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 1.57 0.86 0.88 0.00 0.00 51 F 8.50 3.96 0.00 3.18 2.96 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 52 E 8.21 3.96 0.00 2.01 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 2.33 2.40 0.00 53 Q 8.06 4.15 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.56 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 54 K 8.08 3.89 0.00 1.28 0.76 0.00 1.42 0.00 0.00 1.27 0.00 0.00 2.13 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.95 0.39 7.81 55 R 7.93 4.31 0.00 2.08 2.07 0.00 3.56 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.70 0.00 56 E 8.82 4.02 0.00 2.27 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 2.56 2.86 0.00 57 N 8.26 4.36 0.00 2.82 2.88 0.00 0.00 6.72 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 58 F 8.14 4.29 0.00 3.06 3.15 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 59 F 8.00 3.82 0.00 2.41 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 R 8.47 4.04 0.00 1.94 1.94 0.00 3.44 0.00 0.00 3.58 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.89 0.00 61 E 8.05 3.81 0.00 1.83 1.76 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 2.22 2.48 0.00 62 Q 7.35 3.76 0.00 1.66 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.99 0.00 0.00 0.00 0.00 0.00 1.76 2.14 0.00 63 E 7.65 4.06 0.00 1.87 1.69 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 2.39 1.94 0.00 64 Q 7.89 3.94 0.00 2.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.11 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 65 K 7.76 4.20 0.00 1.89 1.69 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.54 7.81 *67 A 7.99 4.57 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 68 D 8.28 4.35 0.00 2.80 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 F 8.28 4.27 0.00 3.02 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 70 F 7.85 4.46 0.00 3.31 2.94 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 71 S 8.02 4.51 0.00 4.14 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 0.00 72 S 7.77 4.51 0.00 4.00 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 73 C 7.23 4.77 0.00 2.95 2.54 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 0.00 0.00 0.00 0.00 74 E 7.88 4.75 0.00 2.03 1.89 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 2.16 2.32 0.00 75 K 8.92 3.80 0.00 2.00 1.94 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.37 7.81 76 A 8.12 5.27 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 C 9.37 5.19 0.00 2.98 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 I 9.19 4.96 1.59 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.74 0.01 0.00 0.00 79 A 9.16 5.25 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 T 7.68 5.18 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 81 G 8.82 4.14 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 0.00 0.00 0.00 82 G 8.84 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 83 G 8.23 4.08 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 0.00 84 F 8.62 4.21 0.00 3.34 3.25 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 85 V 8.08 3.84 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 1.04 0.00 0.00 0.74 0.00 0.00 86 N 8.05 4.50 0.00 2.81 2.84 0.00 0.00 7.00 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 87 V 7.32 3.78 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.07 0.00 0.00 0.77 0.00 0.00 88 S 8.89 4.47 0.00 3.77 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 89 N 8.63 4.77 0.00 2.89 2.88 0.00 0.00 7.24 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.04 4.09 0.00 1.80 1.71 1.27 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 91 E 8.29 4.01 0.00 2.21 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 2.38 2.37 0.00 92 K 8.44 4.50 0.00 2.01 1.93 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.63 1.33 7.81 93 A 8.07 4.38 1.56 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 0.00 0.00 94 G 6.89 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 0.00 0.00 0.00 0.00 95 F 8.55 4.39 0.00 3.14 3.06 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 96 C 9.39 4.84 0.00 2.95 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 97 I 8.65 4.75 1.37 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.76 1.03 0.00 0.00 98 Y 8.73 5.03 0.00 2.94 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 8.90 4.57 0.00 1.60 1.63 1.03 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 100 K 8.38 4.06 0.00 0.79 1.10 0.00 1.54 0.00 0.00 1.45 0.00 0.00 2.77 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.16 1.19 7.81 101 A 8.16 4.81 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 0.00 102 D 9.41 4.73 0.00 2.71 2.85 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 0.00 103 F 8.37 3.49 0.00 1.51 2.48 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 0.00 104 E 7.98 3.77 0.00 1.96 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 2.34 2.47 0.00 105 Y 7.70 4.13 0.00 3.01 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 0.00 106 L 8.13 4.05 0.00 1.76 1.79 1.26 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 107 K 7.56 3.84 0.00 1.60 1.05 0.00 1.58 0.00 0.00 1.41 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.21 1.25 7.81 108 K 7.27 4.15 0.00 1.60 1.73 0.00 1.53 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.49 7.81 109 R 7.56 4.26 0.00 1.88 1.90 0.00 3.11 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.28 0.00 110 L 7.47 4.23 0.00 1.62 1.38 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 *122 Y 8.30 4.41 0.00 2.35 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 0.00 0.00 0.00 0.00 123 D 8.17 4.78 0.00 2.71 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 0.00 124 E 8.63 4.22 0.00 2.14 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 0.00 2.58 2.50 0.00 125 I 7.79 3.69 2.01 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 1.64 0.99 0.89 0.00 0.00 126 K 8.97 4.01 0.00 1.86 1.87 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.81 1.60 7.81 127 A 8.41 4.18 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 K 7.66 2.60 0.00 0.98 1.42 0.00 1.53 0.00 0.00 1.41 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.09 0.57 7.81 129 K 7.74 3.87 0.00 1.95 1.95 0.00 1.67 0.00 0.00 1.57 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.57 1.43 7.81 130 L 8.07 4.04 0.00 2.02 2.07 0.99 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 131 Y 8.34 3.77 0.00 2.11 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 N 8.37 4.29 0.00 2.89 2.87 0.00 0.00 7.16 7.39 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 0.00 133 E 7.97 4.06 0.00 2.10 1.98 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 2.32 2.64 0.00 134 R 7.68 3.96 0.00 1.82 1.16 0.00 3.49 0.00 0.00 3.48 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.75 0.00 135 L 7.32 3.92 0.00 1.57 1.69 0.90 0.35 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 0.00 136 S 7.90 4.05 0.00 3.98 4.07 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 0.00 137 K 7.60 3.81 0.00 1.61 1.66 0.00 1.49 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.39 7.81 138 Y 7.11 4.03 0.00 2.10 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 0.00 139 E 7.90 4.10 0.00 1.92 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 0.00 2.58 2.53 0.00 140 Q 8.05 4.12 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.84 0.00 0.00 0.00 0.00 0.00 2.54 2.41 0.00 141 K 7.85 4.24 0.00 1.86 1.90 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.50 7.81 142 A 7.11 4.18 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 0.00 143 N 8.54 4.55 0.00 1.44 2.21 0.00 0.00 6.72 6.99 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 0.00 144 F 7.65 5.01 0.00 3.09 2.84 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 0.00 145 I 8.22 4.37 1.75 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.75 0.69 0.00 0.00 146 L 8.11 4.02 0.00 1.15 1.41 0.99 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 147 N 8.47 4.68 0.00 2.58 2.60 0.00 0.00 7.23 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 0.00 148 I 8.31 4.07 1.86 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.55 0.91 0.00 0.00 149 E 8.03 3.43 0.00 1.74 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 1.47 1.77 0.00 150 N 8.94 4.37 0.00 2.88 2.92 0.00 0.00 6.78 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 0.00 151 K 7.67 4.76 0.00 1.87 1.67 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.50 7.81 152 N 9.22 4.75 0.00 2.96 2.96 0.00 0.00 6.32 7.43 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 0.00 153 I 8.14 3.63 1.83 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.42 0.88 0.00 0.00 154 D 8.11 4.35 0.00 2.86 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 0.00 155 E 8.97 3.98 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 2.34 2.63 0.00 156 L 8.08 4.06 0.00 1.85 1.76 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 157 L 8.25 4.03 0.00 1.83 1.73 0.89 0.89 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 0.00 158 S 8.25 4.11 0.00 4.04 3.92 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 0.00 159 E 8.33 3.99 0.00 2.25 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 0.00 2.55 2.46 0.00 160 I 8.12 3.81 2.12 0.00 0.00 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 1.86 0.79 1.03 0.00 0.00 161 K 8.41 3.92 0.00 1.82 2.01 0.00 1.81 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.58 7.81 162 K 8.04 3.91 0.00 1.96 1.88 0.00 1.49 0.00 0.00 1.55 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.43 7.81 163 V 7.22 3.38 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 0.50 0.00 0.00 -0.10 0.00 0.00 164 I 7.50 3.67 1.61 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.61 0.46 0.00 0.00 165 K 7.29 3.68 0.00 1.81 1.87 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.29 7.81 166 E 8.58 4.22 0.00 1.85 1.81 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 2.20 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.