NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4366 0.0000 0.0000 62.2741 32.6339 175.6706 2 I 3.8302 8.1926 120.8460 60.6233 37.6704 170.8046 3 V 4.5427 8.4576 118.8346 59.7097 35.0647 175.3156 4 D 4.9047 8.5094 120.2956 53.1315 39.7961 175.3507 5 T 4.6761 7.4091 114.2792 63.4851 73.5670 176.1479 6 G 3.7960 8.6591 110.9685 46.7098 0.0000 174.4725 7 S 4.6672 8.3527 117.6813 56.5851 65.5306 173.1929 8 V 4.4535 7.9080 116.1616 58.9083 34.9995 175.8184 9 A 4.1058 8.4022 125.5184 51.4178 18.8449 175.7768 10 P 4.3773 0.0000 0.0000 62.6303 32.0257 175.9940 11 L 4.5241 8.0880 119.9144 54.0666 42.7131 177.9482 12 S 4.4808 9.2987 118.8214 57.5907 65.6569 175.2672 13 A 3.9577 8.5720 124.2927 55.3149 18.1172 180.0878 14 A 3.9451 7.9009 118.7496 55.4834 18.5654 179.5710 15 E 3.9767 8.1610 117.1375 59.4749 29.4235 179.7186 16 K 3.9668 8.2722 118.6312 59.7293 32.1817 179.5091 17 T 3.8912 7.8302 115.5188 66.5691 68.3375 176.8758 18 K 4.0184 7.9493 119.8417 59.4442 32.0053 179.2968 19 I 3.8982 7.9835 120.0946 64.7942 37.1051 178.5048 20 R 4.0794 8.3331 118.8776 59.5263 29.6465 179.3843 21 S 4.1361 7.8438 113.3352 61.7540 62.5746 176.3601 22 A 4.1301 8.4748 123.7601 54.6590 17.9249 179.6337 23 W 4.1682 8.9491 127.1851 61.0500 30.9325 178.1098 24 A 4.0016 8.2250 120.7446 54.8504 17.6360 177.6987 25 P 4.1205 0.0000 0.0000 65.6152 31.6016 178.6974 26 V 3.5385 6.8953 113.5492 66.2712 31.2136 177.5322 27 Y 3.8640 7.1689 117.6527 60.1639 38.5629 177.0223 28 S 4.1565 7.7214 113.9609 60.4661 63.3231 174.1600 29 T 4.4714 7.4797 111.1574 59.6373 68.7700 174.9326 30 Y 4.1534 7.5487 121.7457 61.4113 37.6976 177.6101 31 E 4.1562 7.3280 119.6421 58.9560 29.4603 178.9748 32 T 4.0038 7.6947 115.5704 66.0677 68.9847 176.9458 33 S 4.2122 8.0686 116.5927 61.8191 62.8479 176.7257 34 G 3.9054 8.4771 108.3857 48.2510 0.0000 175.6914 35 V 3.6556 7.4024 120.9551 65.5905 31.5106 177.9014 36 D 4.3444 8.3056 118.6966 57.4374 40.7401 178.6438 37 I 3.7876 8.0736 120.6064 64.4776 37.0605 178.3287 38 L 4.1582 8.2430 121.1370 58.1982 41.9958 179.1206 39 V 3.5824 8.3453 118.7474 65.6346 31.4277 177.9635 40 K 3.9521 8.6306 119.8838 59.4869 31.9220 178.4623 41 F 4.1793 8.1587 119.4344 61.3058 39.0753 176.5349 42 F 3.7786 8.5445 120.5864 61.4175 39.0096 177.2456 43 T 3.8257 7.8983 108.3204 64.2648 68.6854 175.6674 44 S 4.5320 7.6257 113.9360 58.0760 65.1288 174.5685 45 T 4.5026 6.9119 117.8428 60.1844 68.9328 172.2478 46 P 4.0621 0.0000 0.0000 65.8448 31.6225 177.9573 47 A 4.0304 7.9520 117.3271 54.6856 18.7453 178.4796 48 A 4.0902 7.7498 117.5259 53.0843 19.0333 179.3126 49 Q 4.2342 7.7229 117.6879 58.6325 28.5264 178.1740 50 E 4.0461 8.0685 116.1112 58.2705 29.6348 177.2447 51 F 4.5142 7.9325 117.0382 57.7930 39.7029 176.2317 52 F 4.5585 8.1994 120.7257 54.4244 38.7084 173.7524 53 P 4.2619 0.0000 0.0000 65.6975 31.6679 178.8880 54 K 4.2794 8.0007 113.8036 58.0788 32.1375 177.2290 55 F 4.9958 8.4440 118.1007 56.7397 39.4613 175.6818 56 K 4.1536 7.8892 121.0481 58.5129 32.3969 175.2536 57 G 4.2989 9.0837 111.1190 45.6675 0.0000 174.3308 58 L 4.1896 7.5459 119.2362 54.9643 42.0773 175.8162 59 T 4.6953 8.2652 112.5151 62.4147 72.0618 175.0261 60 T 4.0009 7.7523 113.9909 60.7899 70.9047 174.8206 61 A 4.0537 8.5185 124.2226 54.8456 18.2339 179.7622 62 D 4.2400 7.9129 116.0281 57.4257 41.8428 177.7987 63 Q 4.0986 8.4290 118.9906 58.9325 28.7143 178.5814 64 L 3.6657 7.5023 119.7392 57.9142 41.5406 179.7875 65 K 3.8661 7.6061 116.2262 58.8029 32.0690 178.4341 66 K 4.3010 7.4439 116.8081 56.1092 33.4191 176.9129 67 S 4.1533 7.5657 115.1446 57.8101 62.9937 174.8620 68 A 4.1521 8.5979 129.0629 54.9237 18.1775 179.5666 69 D 4.5019 7.8515 117.1506 57.5683 40.9438 179.0160 70 V 3.6067 7.6311 118.2252 66.1235 31.5096 178.0919 71 R 4.0298 7.9280 117.4473 58.9502 29.8974 178.9553 72 W 4.7210 8.4800 128.2335 60.9934 30.7991 177.5421 73 H 4.0006 8.5373 118.0622 59.2617 29.2188 177.1049 74 A 4.1268 8.3907 122.6309 55.2168 18.3174 179.5108 75 E 4.1234 8.6318 117.3452 59.4920 29.6458 179.9053 76 R 3.6654 7.7787 118.1851 59.0618 30.1379 179.0282 77 I 3.6987 7.6698 119.5767 64.5550 37.2915 178.3897 78 I 3.9430 8.1010 119.4908 64.2129 37.8135 177.4649 79 N 4.5309 8.2082 116.3570 55.3854 38.3671 177.4084 80 A 3.9138 7.7483 122.4843 55.0846 18.4217 179.7163 81 V 3.3169 7.5848 116.3530 66.0852 31.4521 177.6470 82 N 3.9676 7.9758 116.2398 56.7214 38.4702 176.5292 83 D 4.2132 7.7820 119.1152 57.1062 41.0969 178.3110 84 A 3.9718 7.6418 121.2280 55.1731 18.0050 179.7561 85 V 3.2329 7.5563 116.6981 66.0071 31.2884 177.7182 86 A 4.2309 8.0122 118.5096 53.5957 18.5192 177.9629 87 S 4.6203 7.7242 112.8959 58.2515 63.5319 175.8772 88 M 4.2178 7.5084 120.8810 58.1222 31.6796 177.0697 89 D 4.6453 7.8992 115.8758 54.7786 42.0235 176.1993 90 D 4.7320 8.2755 119.2103 51.3813 41.1769 175.4397 91 T 3.8745 7.8527 116.9118 64.3017 67.7578 174.5620 92 E 3.9111 8.1117 121.1837 59.1031 29.8354 178.3551 93 K 3.9349 8.0419 119.6176 59.5810 32.3040 178.3895 94 M 3.9622 7.9782 118.5755 58.6675 32.0760 178.4816 95 S 4.0091 7.8620 114.6390 61.8167 63.0858 176.1607 96 M 3.9256 7.7043 120.8423 58.5431 31.7862 178.7894 97 K 3.8749 7.7686 118.7495 59.6252 32.3889 178.8419 98 L 3.9389 7.7113 118.7057 57.7406 41.5303 179.6303 99 R 3.9107 8.4470 118.4955 59.0944 29.9597 178.5178 100 D 4.2560 8.0487 117.8453 57.3937 41.3209 178.1612 101 L 3.9873 7.7587 120.7215 57.9774 42.0240 178.8019 102 S 4.1236 8.5471 113.6950 61.3685 62.3779 176.2525 103 G 3.5829 8.0444 108.2920 47.8830 0.0000 175.6889 104 K 3.6358 7.7240 120.2992 59.3569 32.0624 179.2341 105 H 4.2907 8.1603 116.1404 58.7026 28.4285 177.7520 106 A 3.6265 7.5839 121.6421 54.5929 18.3489 179.2960 107 K 4.0697 8.1278 115.7804 57.7197 32.4293 177.4406 108 S 4.5221 7.3880 112.0321 60.1590 64.6811 175.8391 109 F 4.4913 7.3300 116.9683 58.7227 39.3781 175.4137 110 Q 3.4958 7.9282 118.1493 56.8879 25.8982 173.7668 111 V 3.9849 7.6836 109.3727 59.3341 33.8537 176.4825 112 D 4.1717 6.8619 123.2299 53.5477 41.6122 175.3802 113 P 3.3049 0.0000 0.0000 64.4512 31.3546 178.2826 114 Q 3.8263 7.5579 117.1263 58.8980 28.7650 177.6407 115 Y 4.2743 6.9891 114.5747 59.5589 37.8593 177.3967 116 F 4.4169 7.0822 119.0389 60.8540 39.1277 177.8438 117 K 4.0674 8.1082 117.4435 59.6450 32.0127 179.2334 118 V 3.6786 7.7209 119.1575 66.0052 31.6297 177.6723 119 L 3.8003 8.0667 119.8724 57.8282 41.7842 178.5591 120 A 4.0197 8.1752 120.7304 55.0533 18.1683 179.4409 121 A 4.0104 8.1784 119.2125 55.4137 18.4992 179.9827 122 V 3.6424 7.6264 116.0521 66.3665 31.6124 178.3370 123 I 3.9084 8.0371 119.3666 64.2607 36.9174 178.3498 124 A 4.3763 8.3550 121.8449 55.2079 18.0395 179.3651 125 D 4.3343 8.2996 116.6970 57.9189 41.0492 178.8315 126 T 4.0184 7.6467 114.6091 66.6222 68.5456 176.6998 127 V 3.7373 7.6070 118.3505 64.6741 33.2633 177.0911 128 A 4.5216 7.6531 120.8087 50.1940 20.2579 174.3000 129 A 4.1757 7.8723 123.2122 53.3619 19.2346 177.8297 130 G 4.0990 8.9950 111.2560 45.7850 0.0000 174.0298 131 D 4.4147 8.0024 119.6489 54.1835 42.0656 176.7811 132 A 4.1589 8.7754 129.3629 54.9368 18.6573 179.3187 133 G 3.6851 8.1741 103.9364 48.2561 0.0000 175.5119 134 F 4.0719 8.7244 123.5212 60.8036 39.4501 177.0564 135 E 4.0446 8.1299 118.2719 58.9647 29.1840 179.2375 136 K 3.9001 8.1239 120.1614 59.3274 32.1663 178.7069 137 L 3.7963 7.5658 120.5035 58.2903 41.8700 178.8779 138 M 3.8977 7.7221 118.6891 58.0315 31.7243 178.9556 139 S 4.2912 7.6669 116.7789 61.1828 63.0075 176.4131 140 M 3.9619 7.8208 121.3328 58.5346 31.6698 178.9040 141 I 3.5785 7.3404 119.5497 64.5506 37.0937 178.3960 142 C 3.9943 8.1499 117.6240 62.7192 27.7271 176.1626 143 I 3.8358 7.7736 120.8565 64.4486 36.9885 178.2206 144 L 4.1017 7.9228 119.7953 57.5783 41.2559 179.3753 145 L 3.8659 7.7170 117.8117 56.5826 41.6295 178.5300 146 R 4.7893 7.5223 117.1241 56.1689 30.3648 178.0735 147 S 4.2174 7.9806 114.6962 60.8583 63.0105 174.9542 148 A 4.2612 8.2242 124.2167 53.2928 19.1758 176.7199 149 Y 4.1652 7.8523 117.9050 58.2541 37.9347 175.3914 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 P 0.00 4.44 0.00 2.20 2.14 0.00 3.73 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.00 0.00 2 I 8.19 3.83 1.89 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 1.42 0.68 0.90 0.00 0.00 3 V 8.46 4.54 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 0.86 0.00 0.00 0.95 0.00 0.00 4 D 8.51 4.90 0.00 2.74 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 T 7.41 4.68 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 1.20 0.00 0.00 6 G 8.66 3.80 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 0.00 0.00 0.00 7 S 8.35 4.67 0.00 3.75 3.66 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 0.00 0.00 0.00 0.00 8 V 7.91 4.45 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 0.75 0.00 0.00 0.88 0.00 0.00 9 A 8.40 4.11 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 10 P 0.00 4.38 0.00 2.03 2.00 0.00 3.65 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 11 L 8.09 4.52 0.00 1.59 1.56 0.84 0.82 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 12 S 9.30 4.48 0.00 4.00 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 13 A 8.57 3.96 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 14 A 7.90 3.95 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 15 E 8.16 3.98 0.00 2.18 2.02 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 2.35 2.36 0.00 16 K 8.27 3.97 0.00 1.94 1.86 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.43 1.70 7.81 17 T 7.83 3.89 4.44 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 1.24 0.00 0.00 18 K 7.95 4.02 0.00 2.01 1.91 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.71 7.81 19 I 7.98 3.90 2.11 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 1.78 1.03 1.03 0.00 0.00 20 R 8.33 4.08 0.00 2.05 2.08 0.00 3.17 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.99 0.00 21 S 7.84 4.14 0.00 4.11 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 22 A 8.47 4.13 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 23 W 8.95 4.17 0.00 3.62 3.32 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 24 A 8.23 4.00 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 25 P 0.00 4.12 0.00 1.97 2.09 0.00 3.85 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.13 0.00 26 V 6.90 3.54 1.58 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 0.74 0.00 0.00 0.88 0.00 0.00 27 Y 7.17 3.86 0.00 1.83 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 28 S 7.72 4.16 0.00 4.09 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 29 T 7.48 4.47 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 1.10 0.00 0.00 30 Y 7.55 4.15 0.00 3.16 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 31 E 7.33 4.16 0.00 1.86 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 0.00 1.68 2.00 0.00 32 T 7.69 4.00 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 1.18 0.00 0.00 33 S 8.07 4.21 0.00 3.86 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 34 G 8.48 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 35 V 7.40 3.66 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 0.99 0.00 0.00 1.02 0.00 0.00 36 D 8.31 4.34 0.00 2.91 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 37 I 8.07 3.79 2.12 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 1.50 1.18 1.03 0.00 0.00 38 L 8.24 4.16 0.00 1.93 1.77 1.10 0.93 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 39 V 8.35 3.58 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 0.94 0.00 0.00 0.95 0.00 0.00 40 K 8.63 3.95 0.00 2.00 2.06 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.49 7.81 41 F 8.16 4.18 0.00 3.16 3.42 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 42 F 8.54 3.78 0.00 2.96 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 43 T 7.90 3.83 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 1.39 0.00 0.00 44 S 7.63 4.53 0.00 4.04 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 45 T 6.91 4.50 3.53 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 1.22 0.00 0.00 46 P 0.00 4.06 0.00 2.06 2.01 0.00 3.50 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 47 A 7.95 4.03 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 48 A 7.75 4.09 0.66 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 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 7.72 4.23 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.77 0.00 0.00 0.00 0.00 0.00 1.16 1.87 0.00 50 E 8.07 4.05 0.00 1.83 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.47 0.00 51 F 7.93 4.51 0.00 3.12 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 52 F 8.20 4.56 0.00 3.08 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 0.00 0.00 0.00 53 P 0.00 4.26 0.00 2.16 2.13 0.00 3.50 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 2.11 2.11 0.00 54 K 8.00 4.28 0.00 1.81 2.19 0.00 1.76 0.00 0.00 1.80 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.45 7.81 55 F 8.44 5.00 0.00 3.15 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 56 K 7.89 4.15 0.00 1.83 1.84 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.74 7.81 57 G 9.08 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.55 4.19 0.00 1.77 1.49 0.84 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 59 T 8.27 4.70 4.27 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 1.30 0.00 0.00 60 T 7.75 4.00 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 1.26 0.00 0.00 61 A 8.52 4.05 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 62 D 7.91 4.24 0.00 2.67 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 63 Q 8.43 4.10 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.54 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 64 L 7.50 3.67 0.00 1.65 1.43 0.88 0.61 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 65 K 7.61 3.87 0.00 1.72 1.86 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.67 7.81 66 K 7.44 4.30 0.00 1.87 1.82 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.50 7.81 67 S 7.57 4.15 0.00 3.73 3.62 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 68 A 8.60 4.15 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 69 D 7.85 4.50 0.00 2.92 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 70 V 7.63 3.61 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 -0.32 0.00 0.00 71 R 7.93 4.03 0.00 2.03 2.26 0.00 3.21 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 72 W 8.48 4.72 0.00 3.50 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 H 8.54 4.00 0.00 3.58 3.67 0.00 5.66 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 74 A 8.39 4.13 1.51 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 75 E 8.63 4.12 0.00 2.52 2.29 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 2.83 2.63 0.00 76 R 7.78 3.67 0.00 1.60 1.66 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.50 0.00 77 I 7.67 3.70 1.95 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.29 0.97 0.00 0.00 78 I 8.10 3.94 2.27 0.00 0.00 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 1.76 1.81 1.15 0.00 0.00 79 N 8.21 4.53 0.00 2.96 2.80 0.00 0.00 6.83 7.13 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 80 A 7.75 3.91 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 81 V 7.58 3.32 2.28 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 0.46 0.00 0.00 0.99 0.00 0.00 82 N 7.98 3.97 0.00 2.89 2.78 0.00 0.00 7.24 8.09 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 83 D 7.78 4.21 0.00 2.81 2.64 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 84 A 7.64 3.97 1.11 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 85 V 7.56 3.23 1.70 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 0.83 0.00 0.00 -0.04 0.00 0.00 86 A 8.01 4.23 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.72 4.62 0.00 3.88 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 88 M 7.51 4.22 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.41 0.00 89 D 7.90 4.65 0.00 2.64 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 90 D 8.28 4.73 0.00 2.56 2.44 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 91 T 7.85 3.87 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 92 E 8.11 3.91 0.00 2.05 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 2.35 2.33 0.00 93 K 8.04 3.93 0.00 1.91 1.89 0.00 1.67 0.00 0.00 1.54 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.41 7.81 94 M 7.98 3.96 0.00 2.20 1.97 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 2.48 2.49 0.00 95 S 7.86 4.01 0.00 4.05 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 96 M 7.70 3.93 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.54 0.00 97 K 7.77 3.87 0.00 1.95 1.75 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.46 7.81 98 L 7.71 3.94 0.00 1.74 1.58 0.79 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 99 R 8.45 3.91 0.00 1.75 1.93 0.00 3.09 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.81 0.00 100 D 8.05 4.26 0.00 2.91 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 0.00 101 L 7.76 3.99 0.00 1.96 1.82 1.04 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.55 4.12 0.00 4.02 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.04 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 0.00 104 K 7.72 3.64 0.00 1.76 1.04 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.27 1.54 7.81 105 H 8.16 4.29 0.00 3.67 3.85 0.00 5.80 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 0.00 106 A 7.58 3.63 0.24 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 0.00 107 K 8.13 4.07 0.00 1.58 1.75 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.30 7.81 108 S 7.39 4.52 0.00 3.24 3.70 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 0.00 109 F 7.33 4.49 0.00 3.14 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 0.00 110 Q 7.93 3.50 0.00 2.30 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.55 0.00 111 V 7.68 3.98 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 0.77 0.00 0.00 1.04 0.00 0.00 112 D 6.86 4.17 0.00 2.29 2.34 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 0.00 113 P 0.00 3.30 0.00 1.70 0.49 0.00 3.47 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.45 0.00 114 Q 7.56 3.83 0.00 1.83 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.04 0.00 0.00 0.00 0.00 0.00 1.73 1.16 0.00 115 Y 6.99 4.27 0.00 3.07 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 F 7.08 4.42 0.00 3.14 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 0.00 117 K 8.11 4.07 0.00 2.00 2.09 0.00 1.50 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.60 1.49 7.81 118 V 7.72 3.68 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 1.06 0.00 0.00 119 L 8.07 3.80 0.00 0.42 1.32 0.75 0.89 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 0.00 120 A 8.18 4.02 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 0.00 121 A 8.18 4.01 1.51 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 0.00 122 V 7.63 3.64 2.35 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 1.20 0.00 0.00 1.23 0.00 0.00 123 I 8.04 3.91 2.22 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 1.61 0.93 1.28 0.00 0.00 124 A 8.36 4.38 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 D 8.30 4.33 0.00 2.85 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 0.00 126 T 7.65 4.02 4.31 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 1.23 0.00 0.00 127 V 7.61 3.74 1.45 0.00 0.00 0.00 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 1.22 0.00 0.00 128 A 7.65 4.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 A 7.87 4.18 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 0.00 130 G 8.99 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 0.00 0.00 0.00 131 D 8.00 4.41 0.00 2.86 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 0.00 132 A 8.78 4.16 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 0.00 133 G 8.17 3.69 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 0.00 0.00 0.00 134 F 8.72 4.07 0.00 3.32 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 0.00 135 E 8.13 4.04 0.00 2.25 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 2.42 2.63 0.00 136 K 8.12 3.90 0.00 1.90 1.94 0.00 1.60 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.37 1.40 7.81 137 L 7.57 3.80 0.00 1.49 1.29 0.38 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 138 M 7.72 3.90 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.30 0.00 139 S 7.67 4.29 0.00 4.02 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 0.00 140 M 7.82 3.96 0.00 1.98 2.14 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.51 0.00 141 I 7.34 3.58 1.86 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.56 0.73 0.00 0.00 142 C 8.15 3.99 0.00 2.92 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 0.00 143 I 7.77 3.84 1.94 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 1.47 0.56 0.88 0.00 0.00 144 L 7.92 4.10 0.00 1.59 1.61 0.87 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 145 L 7.72 3.87 0.00 1.18 0.31 0.20 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 146 R 7.52 4.79 0.00 1.82 1.99 0.00 3.29 0.00 0.00 3.46 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.93 0.00 147 S 7.98 4.22 0.00 4.03 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 0.00 148 A 8.22 4.26 1.14 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 0.00 149 Y 7.85 4.17 0.00 3.13 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