NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.3216 8.0433 120.6291 54.7027 44.0850 178.8022 3 E 3.7493 8.0325 118.2725 58.7260 29.2696 177.5094 4 D 4.3042 8.7458 120.0217 57.3913 41.3443 178.3171 5 L 4.0076 7.7739 118.9977 57.5870 41.6035 179.3836 6 I 3.5207 8.0803 120.4501 64.1000 36.9869 178.4935 7 G 3.5848 8.1455 106.8243 47.9438 0.0000 175.8395 8 K 4.0108 7.9617 121.0720 58.9382 32.0500 179.4028 9 A 4.0838 8.2902 121.3214 55.3651 18.2112 179.3306 10 Y 4.2206 8.5182 115.7806 61.1575 37.9269 178.4748 11 L 3.9890 8.2580 121.3647 58.0088 42.1704 178.7110 12 E 3.9591 8.2710 118.5565 59.6975 29.4762 179.4874 13 S 4.1011 8.2086 114.6435 61.7206 62.7065 176.6898 14 A 4.0510 8.0914 122.2174 54.5982 18.0903 178.5195 15 E 4.4236 7.8134 114.2616 55.2812 29.9872 175.6772 16 D 4.4380 7.8508 117.2972 55.9203 38.8160 174.5705 17 R 4.4669 8.2617 116.0929 55.7686 31.2446 176.5665 18 R 4.1392 7.8473 119.5624 56.2402 30.8865 176.8042 19 R 4.4566 8.0826 123.8818 54.1055 30.4566 174.8089 20 G 3.9430 8.0135 107.2364 44.4976 0.0000 170.7935 21 D 4.6880 8.2921 117.9260 54.2343 41.6266 176.4100 22 R 4.6833 9.0890 121.1908 54.4754 32.5023 177.6688 23 S 4.1242 8.7651 117.1820 62.2589 62.7884 177.2036 24 E 3.9654 8.1240 120.3612 59.1983 29.3252 179.1861 25 E 3.9486 8.0554 118.9139 59.3823 29.5649 179.4779 26 V 3.5962 7.6866 117.8539 65.8056 31.6571 177.4052 27 E 3.8272 8.4316 119.0973 59.2832 29.3868 178.6529 28 A 4.0318 8.0462 120.7215 55.1602 18.3922 179.7121 29 I 3.6947 7.6897 117.8684 64.6680 37.1537 178.7566 30 R 3.9642 7.9236 118.8955 59.1675 29.8340 179.0384 31 K 3.9288 8.2168 119.3312 59.5744 31.9844 178.1060 32 Y 3.9582 8.0920 118.8558 60.8508 38.8715 177.9731 33 I 3.9672 8.1690 120.6044 64.6287 37.0512 178.7564 34 R 4.0215 8.2379 117.8523 59.0684 29.9791 178.6311 35 S 4.3273 7.9690 112.7171 58.3840 63.4027 174.5930 36 A 3.8368 6.8833 125.6215 52.4890 18.4755 177.9482 37 R 4.1483 8.5212 121.3906 58.1291 30.8907 176.9760 38 R 4.6242 7.7126 117.8644 55.3159 34.0263 173.8007 39 T 4.9901 8.6757 122.4459 61.7764 72.0096 173.1220 40 V 5.0106 8.7958 124.8912 61.0610 35.5573 174.2113 41 V 5.3299 8.9513 126.3550 59.5268 33.5413 174.4639 42 P 4.4860 0.0000 0.0000 65.3630 32.2193 177.0008 43 N 4.0873 8.2226 118.0057 53.3232 38.7614 174.4980 44 W 4.5362 7.5092 118.9378 57.2360 29.7134 176.4661 45 N 4.1051 6.7710 117.9165 53.3128 39.0274 174.7162 46 A 3.8952 8.7661 130.5575 55.2864 18.5475 178.6422 47 E 3.8176 8.4291 117.6677 59.3460 29.6723 179.3712 48 K 3.8439 7.8428 117.8570 59.4508 32.2105 179.3597 49 V 3.5134 7.8611 118.8061 66.1900 31.3403 177.8194 50 D 4.2892 8.5189 118.7495 57.1297 40.6040 178.6154 51 A 3.9619 7.8941 121.1432 55.0889 18.3080 179.6102 52 I 3.5769 7.8103 118.3335 64.8565 37.1602 178.5362 53 N 4.3370 8.3976 117.2648 56.1648 38.3094 177.2662 54 D 4.3375 8.4730 120.9503 57.3112 40.9085 179.0433 55 V 3.6578 7.7708 118.5879 65.9783 31.5152 177.8578 56 L 3.9526 8.0895 118.9650 57.9691 41.4402 179.4982 57 R 3.9050 8.2914 118.9168 59.5426 29.8124 178.6857 58 S 4.1015 7.9917 112.4609 60.5656 62.8947 175.3969 59 F 4.5004 7.6317 119.0170 56.2310 39.0099 174.8873 60 N 4.2684 8.1925 115.8637 54.7094 37.6279 173.6321 61 L 4.7476 7.8984 115.3411 51.8622 43.8885 176.7940 62 R 3.9656 8.4006 121.9217 56.6496 30.5405 176.3076 63 E 4.1954 8.4884 123.1972 56.0199 30.3752 176.1507 64 A 4.7003 8.2170 123.1196 51.4963 19.7266 177.2307 65 E 4.5309 8.9371 119.8792 56.0990 31.5995 175.1511 66 H 5.5372 8.5958 115.4843 53.9924 31.7426 172.8080 67 L 4.6558 8.6147 119.4484 53.8095 43.8016 177.0810 68 Q 4.4256 8.6702 119.1502 54.1304 29.7419 174.6340 69 F 4.8396 7.5554 116.1142 54.7122 41.0955 173.9668 70 N 4.0404 8.7688 120.2827 53.7820 38.6706 175.0327 71 T 4.4086 8.0089 115.4814 61.9157 69.7060 175.8490 72 N 4.2689 8.0089 120.4904 56.5946 38.5015 176.9489 73 W 4.7579 7.7313 119.1666 59.3806 29.2060 178.0414 74 A 4.2221 8.0489 121.2343 55.0260 17.5412 178.4846 75 D 4.7410 8.0337 114.9635 55.3972 40.9530 176.7202 76 L 4.6382 7.7687 119.3613 54.3844 41.8519 175.7889 77 T 4.7364 7.3814 108.1824 59.5744 71.7337 174.4832 78 R 4.0966 8.3091 116.1941 56.9527 29.7605 176.9285 *80 P 4.4766 0.0000 0.0000 62.6369 33.5166 178.6721 81 A 3.9796 8.0373 119.8157 55.2316 18.1226 179.8942 82 V 3.5594 7.7339 116.1428 66.4223 31.4890 178.0266 83 T 3.8980 7.9211 113.8662 66.6846 68.3917 175.9183 84 K 4.2174 8.1767 120.1703 59.3540 32.4474 178.4404 85 A 4.2554 8.1371 121.0528 55.0420 18.2689 181.0213 86 L 4.2220 8.1812 116.3491 54.9960 41.6541 179.3484 *88 A 4.3001 7.9884 123.4372 52.2721 20.6675 179.7035 89 L 3.9653 8.2748 117.3823 58.5856 41.8931 179.0415 90 D 4.3352 8.2332 117.8480 57.1498 40.7670 178.4291 91 I 3.9204 7.6527 119.5936 63.4238 37.4039 177.3546 92 S 4.5900 8.0208 113.5848 57.6470 63.8492 175.2107 93 G 3.8449 8.2607 108.4567 45.9282 0.0000 173.4348 94 A 4.2631 7.7105 122.0089 51.9303 18.8821 178.2654 95 D 4.7331 8.4845 118.7688 56.3811 41.9487 177.0751 96 L 4.8397 8.0328 120.3562 53.4339 45.7987 174.9133 97 V 4.9718 8.5719 124.8150 61.1418 35.1508 173.8324 98 I 5.0471 8.6807 127.4604 59.5375 40.2518 174.4343 99 A 4.9383 8.8416 127.5340 50.3670 23.0137 174.6702 100 R 4.9110 8.1755 119.5778 54.8836 33.5600 175.0488 101 G 3.9482 8.3376 112.1387 45.5283 0.0000 172.3336 102 R 4.4157 7.9995 119.1956 56.0428 30.8226 177.7979 103 L 4.0731 8.7314 127.8864 57.8201 43.4919 176.6444 104 G 4.5321 7.5783 106.7813 44.0595 0.0000 176.7421 105 V 3.8414 8.6298 118.2214 59.7669 32.0005 173.2440 106 P 4.3470 0.0000 0.0000 64.8447 31.3947 177.0414 107 G 4.0173 9.1161 111.2485 45.3459 0.0000 173.9682 108 S 4.3463 7.8312 112.9302 57.9134 63.9064 175.7227 109 G 3.7900 7.9362 110.2362 44.9012 0.0000 172.1501 110 S 5.2754 7.9537 114.0866 56.7155 65.8885 173.9176 111 L 4.8874 9.0677 123.9679 53.3445 45.5816 174.5995 112 L 5.1444 9.1189 128.4730 53.4305 44.4921 175.3822 113 V 5.0124 8.9838 118.9857 59.6658 35.5931 174.6604 114 I 5.1742 8.7643 123.4941 58.7994 41.0645 175.0676 *116 D 4.5349 8.2494 122.7715 53.2037 40.2020 175.9198 117 S 4.5012 8.4622 112.2097 60.4533 63.0808 174.9685 118 R 4.4009 8.3098 118.8010 55.9378 30.2951 176.4237 119 G 3.9103 8.2999 105.6706 45.6891 0.0000 174.0369 120 R 4.3288 8.1330 118.0372 54.5555 31.3042 175.8844 121 L 4.5158 8.2211 123.0564 54.0874 42.6699 176.2463 122 L 4.2022 8.8917 127.4481 57.2258 42.2493 176.4505 123 S 4.6440 7.4184 110.2702 58.0399 65.9816 172.6674 124 A 4.9699 8.3323 122.2962 51.9860 22.1201 174.5275 125 A 4.3673 8.4099 119.4145 51.6352 23.1586 175.5224 *127 S 4.4524 8.4723 111.8267 57.8637 64.5732 172.7484 128 P 4.5944 0.0000 0.0000 61.5303 32.0679 174.7308 129 P 4.3935 0.0000 0.0000 62.9219 31.9433 177.4585 130 H 4.3945 8.7557 121.6465 58.9631 29.4907 178.1443 131 V 3.6534 7.7928 113.0949 63.9390 31.4035 178.0883 132 I 4.2375 7.5947 118.9759 62.7058 37.1380 175.7961 133 H 4.7688 7.3326 117.1187 53.7130 29.9408 173.6247 134 S 3.8922 8.2728 121.1421 57.9726 63.6804 174.3779 *136 E 4.1388 8.4667 123.6272 55.7938 31.4809 177.1628 137 V 3.6938 8.3370 126.2677 65.0240 31.3978 179.0346 138 R 3.8809 7.8911 116.2795 58.7962 29.3029 178.3764 139 E 3.8874 8.1310 119.4753 58.8236 29.7057 178.1511 140 A 3.9723 8.3865 121.3493 55.3544 18.2142 179.8953 141 V 3.4430 7.8113 115.3187 66.0341 31.7333 177.5695 142 R 4.0379 8.0566 117.8733 59.7908 30.0580 178.2707 143 S 4.2392 8.4269 114.0926 61.1841 62.8802 176.3320 144 E 4.2572 8.1362 118.9695 57.2361 28.7666 178.7639 *146 T 4.2035 7.8167 117.6754 64.0935 70.7220 176.1484 147 H 4.2784 8.3927 118.3823 58.8527 28.4052 177.7341 148 A 4.1393 8.1564 121.9577 54.8584 18.4958 179.2031 149 L 4.1546 7.5144 116.7566 57.5436 42.0510 179.0661 150 E 4.4529 8.6871 120.4609 58.7316 29.1784 179.4755 151 R 4.0732 8.1923 115.5751 58.1173 29.3848 177.3687 152 I 4.2496 7.7703 111.3651 60.6001 37.7828 176.1486 153 G 3.9650 8.2521 108.3535 45.5305 0.0000 174.4710 154 F 4.3406 8.2017 118.8526 57.2422 39.5234 174.4929 155 K 4.9361 8.6713 122.6221 54.5303 35.1627 176.3878 156 R 3.1137 8.4859 122.0400 56.2725 29.9077 175.9107 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 L 8.04 4.32 0.00 1.61 1.67 0.43 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 3 E 8.03 3.75 0.00 2.09 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 2.35 2.44 0.00 4 D 8.75 4.30 0.00 2.66 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 5 L 7.77 4.01 0.00 1.79 1.67 0.94 0.81 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 6 I 8.08 3.52 1.71 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.70 -0.14 0.00 0.00 7 G 8.15 3.58 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 0.00 0.00 0.00 8 K 7.96 4.01 0.00 1.96 1.87 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.57 7.81 9 A 8.29 4.08 1.44 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 10 Y 8.52 4.22 0.00 3.16 2.98 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 11 L 8.26 3.99 0.00 1.90 1.85 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.27 3.96 0.00 2.30 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 2.35 2.60 0.00 13 S 8.21 4.10 0.00 3.99 3.87 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 0.00 0.00 0.00 14 A 8.09 4.05 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 15 E 7.81 4.42 0.00 2.05 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 2.28 2.45 0.00 16 D 7.85 4.44 0.00 2.82 2.74 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 0.00 0.00 0.00 0.00 17 R 8.26 4.47 0.00 1.74 1.94 0.00 3.16 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 18 R 7.85 4.14 0.00 1.84 1.84 0.00 3.42 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 19 R 8.08 4.46 0.00 1.78 1.80 0.00 3.47 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 20 G 8.01 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 21 D 8.29 4.69 0.00 2.68 2.61 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 22 R 9.09 4.68 0.00 1.80 2.11 0.00 3.27 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 23 S 8.77 4.12 0.00 3.85 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 24 E 8.12 3.97 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 25 E 8.06 3.95 0.00 2.21 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 2.30 0.00 26 V 7.69 3.60 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 0.97 0.00 0.00 27 E 8.43 3.83 0.00 2.08 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 2.28 2.29 0.00 28 A 8.05 4.03 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.69 3.69 2.03 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 1.50 0.91 0.98 0.00 0.00 30 R 7.92 3.96 0.00 1.82 1.48 0.00 2.21 0.00 0.00 2.68 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.60 0.00 31 K 8.22 3.93 0.00 1.88 2.02 0.00 1.54 0.00 0.00 1.58 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.52 7.81 32 Y 8.09 3.96 0.00 3.09 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 33 I 8.17 3.97 2.35 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.86 0.91 0.00 0.00 34 R 8.24 4.02 0.00 1.96 2.06 0.00 3.22 0.00 0.00 3.34 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.10 0.00 35 S 7.97 4.33 0.00 3.74 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 36 A 6.88 3.84 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 37 R 8.52 4.15 0.00 1.98 1.98 0.00 3.19 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 38 R 7.71 4.62 0.00 1.98 1.83 0.00 3.03 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 39 T 8.68 4.99 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 40 V 8.80 5.01 2.12 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 1.01 0.00 0.00 0.96 0.00 0.00 41 V 8.95 5.33 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 1.20 0.00 0.00 0.99 0.00 0.00 42 P 0.00 4.49 0.00 2.19 2.44 0.00 4.05 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.22 0.00 43 N 8.22 4.09 0.00 2.59 2.52 0.00 0.00 6.84 7.68 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 44 W 7.51 4.54 0.00 3.48 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 N 6.77 4.11 0.00 1.53 2.20 0.00 0.00 7.10 8.43 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 46 A 8.77 3.90 1.32 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 0.00 0.00 0.00 47 E 8.43 3.82 0.00 2.00 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 2.24 2.31 0.00 48 K 7.84 3.84 0.00 1.75 1.68 0.00 1.36 0.00 0.00 1.53 0.00 0.00 2.75 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.38 1.29 7.81 49 V 7.86 3.51 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 1.06 0.00 0.00 0.86 0.00 0.00 50 D 8.52 4.29 0.00 2.69 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 51 A 7.89 3.96 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 52 I 7.81 3.58 1.99 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 1.47 0.66 0.87 0.00 0.00 53 N 8.40 4.34 0.00 2.83 3.04 0.00 0.00 7.11 8.81 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 54 D 8.47 4.34 0.00 2.83 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 7.77 3.66 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 1.13 0.00 0.00 0.96 0.00 0.00 56 L 8.09 3.95 0.00 1.85 1.84 0.95 0.94 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 57 R 8.29 3.90 0.00 2.00 2.09 0.00 3.09 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 58 S 7.99 4.10 0.00 3.95 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 59 F 7.63 4.50 0.00 3.01 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 60 N 8.19 4.27 0.00 2.86 2.97 0.00 0.00 6.97 8.00 0.00 0.00 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 L 7.90 4.75 0.00 1.74 1.50 0.39 0.94 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 62 R 8.40 3.97 0.00 1.76 1.83 0.00 3.22 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 63 E 8.49 4.20 0.00 2.00 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 2.30 0.00 64 A 8.22 4.70 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 65 E 8.94 4.53 0.00 2.08 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 2.49 2.27 0.00 66 H 8.60 5.54 0.00 3.42 3.29 0.00 5.51 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.61 4.66 0.00 1.80 2.00 1.15 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 68 Q 8.67 4.43 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 69 F 7.56 4.84 0.00 3.09 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 70 N 8.77 4.04 0.00 2.43 2.32 0.00 0.00 6.88 7.70 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 71 T 8.01 4.41 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 72 N 8.01 4.27 0.00 2.10 2.93 0.00 0.00 6.92 7.29 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 73 W 7.73 4.76 0.00 3.38 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 74 A 8.05 4.22 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 75 D 8.03 4.74 0.00 2.97 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 76 L 7.77 4.64 0.00 1.86 1.71 1.15 0.82 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 77 T 7.38 4.74 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 1.27 0.00 0.00 78 R 8.31 4.10 0.00 1.91 1.99 0.00 3.16 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.66 0.00 *80 P 0.00 4.48 0.00 2.43 2.41 0.00 3.80 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.38 0.00 81 A 8.04 3.98 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 V 7.73 3.56 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 1.16 0.00 0.00 0.94 0.00 0.00 83 T 7.92 3.90 4.46 0.00 0.00 0.00 0.00 0.00 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 84 K 8.18 4.22 0.00 2.02 1.94 0.00 1.88 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.54 7.81 85 A 8.14 4.26 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 8.18 4.22 0.00 1.86 1.71 0.94 0.85 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 *88 A 7.99 4.30 1.49 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 0.00 0.00 0.00 0.00 0.00 0.00 89 L 8.27 3.97 0.00 1.78 1.87 0.98 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.23 4.34 0.00 2.68 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 91 I 7.65 3.92 1.76 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.27 0.85 0.00 0.00 92 S 8.02 4.59 0.00 4.06 4.03 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 0.00 0.00 0.00 93 G 8.26 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 94 A 7.71 4.26 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 95 D 8.48 4.73 0.00 2.65 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 96 L 8.03 4.84 0.00 1.72 1.47 1.12 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 97 V 8.57 4.97 2.12 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 1.12 0.00 0.00 0.97 0.00 0.00 98 I 8.68 5.05 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.90 0.88 0.00 0.00 99 A 8.84 4.94 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 0.00 100 R 8.18 4.91 0.00 1.72 1.67 0.00 3.21 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.56 0.00 101 G 8.34 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 0.00 0.00 0.00 102 R 8.00 4.42 0.00 1.86 1.82 0.00 3.33 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.78 0.00 103 L 8.73 4.07 0.00 1.62 1.68 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 104 G 7.58 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 V 8.63 3.84 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 0.74 0.00 0.00 0.94 0.00 0.00 106 P 0.00 4.35 0.00 2.05 2.04 0.00 3.65 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 2.05 2.13 0.00 107 G 9.12 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 S 7.83 4.35 0.00 4.01 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 0.00 109 G 7.94 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 0.00 0.00 0.00 110 S 7.95 5.28 0.00 3.74 3.74 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 0.00 0.00 0.00 0.00 111 L 9.07 4.89 0.00 1.65 1.44 0.95 0.55 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 0.00 112 L 9.12 5.14 0.00 1.82 1.46 0.88 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 113 V 8.98 5.01 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 0.67 0.00 0.00 0.99 0.00 0.00 114 I 8.76 5.17 1.88 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 0.88 1.40 0.94 0.00 0.00 *116 D 8.25 4.53 0.00 2.27 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 0.00 117 S 8.46 4.50 0.00 4.11 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 R 8.31 4.40 0.00 1.76 1.95 0.00 3.25 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 119 G 8.30 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 0.00 120 R 8.13 4.33 0.00 1.98 1.82 0.00 3.10 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.51 0.00 121 L 8.22 4.52 0.00 1.58 1.58 1.00 0.98 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 0.00 122 L 8.89 4.20 0.00 1.74 1.72 0.95 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 123 S 7.42 4.64 0.00 3.89 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 0.00 124 A 8.33 4.97 1.19 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 0.00 0.00 125 A 8.41 4.37 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 *127 S 8.47 4.45 0.00 3.84 3.83 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 0.00 0.00 0.00 128 P 0.00 4.59 0.00 1.92 1.85 0.00 3.65 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.95 0.00 129 P 0.00 4.39 0.00 2.18 1.98 0.00 3.57 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 2.11 2.25 0.00 130 H 8.76 4.39 0.00 3.19 3.29 0.00 5.71 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 0.00 131 V 7.79 3.65 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 0.87 0.00 0.00 0.95 0.00 0.00 132 I 7.59 4.24 2.00 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 1.52 0.74 0.92 0.00 0.00 133 H 7.33 4.77 0.00 3.22 3.19 0.00 5.81 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 S 8.27 3.89 0.00 3.80 3.74 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 0.00 0.00 0.00 0.00 *136 E 8.47 4.14 0.00 2.11 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 137 V 8.34 3.69 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 0.90 0.00 0.00 0.87 0.00 0.00 138 R 7.89 3.88 0.00 2.02 2.36 0.00 2.94 0.00 0.00 3.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 139 E 8.13 3.89 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 140 A 8.39 3.97 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 V 7.81 3.44 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 0.82 0.00 0.00 0.90 0.00 0.00 142 R 8.06 4.04 0.00 1.89 2.10 0.00 3.48 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 143 S 8.43 4.24 0.00 3.96 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 0.00 144 E 8.14 4.26 0.00 2.15 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 2.33 2.46 0.00 *146 T 7.82 4.20 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 0.00 147 H 8.39 4.28 0.00 3.21 3.32 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 A 8.16 4.14 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 0.00 149 L 7.51 4.15 0.00 0.88 0.93 0.11 0.40 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 0.00 150 E 8.69 4.45 0.00 2.14 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 2.80 2.50 0.00 151 R 8.19 4.07 0.00 1.99 2.15 0.00 3.11 0.00 0.00 3.40 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.66 0.00 152 I 7.77 4.25 1.90 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.00 0.94 0.00 0.00 153 G 8.25 3.97 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 0.00 0.00 0.00 154 F 8.20 4.34 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 0.00 155 K 8.67 4.94 0.00 1.77 1.73 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.44 7.81 156 R 8.49 3.11 0.00 0.95 1.49 0.00 3.06 0.00 0.00 2.91 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.96 0.00 * Residues marked with a * may have inaccurate shift predictions.