NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3662 8.1627 120.2840 54.0808 33.9293 174.6147 2 V 4.3901 7.2967 123.4073 60.2689 30.1443 172.1451 3 Y 4.1549 8.1713 125.4624 57.0012 40.8429 173.0653 4 Q 4.8897 7.8697 127.6277 54.6929 30.5811 174.8223 5 V 4.5993 8.3008 126.2485 61.8143 33.1016 174.9513 6 K 4.4366 8.4577 126.8633 55.3221 34.3470 174.6446 7 D 4.2950 8.7698 128.4161 52.4300 40.3313 174.3900 8 K 3.9254 8.6246 119.3047 59.7629 31.9351 178.4338 9 A 3.9848 8.1453 119.2298 55.6040 18.5457 178.7052 10 D 4.3967 8.6517 116.2577 57.2850 41.3473 178.0062 11 L 3.9958 7.6526 120.8981 57.4867 42.1382 177.0615 12 D 4.7477 7.6630 117.2854 55.1220 41.7652 175.5100 13 G 4.3416 8.9608 113.9042 46.4644 0.0000 175.7656 14 Q 3.9557 7.5099 119.9161 58.8250 28.7988 178.3627 15 L 4.0136 7.6866 118.5986 58.0741 41.9311 179.3866 16 T 4.0420 7.7144 115.4038 66.3226 68.2453 176.5794 17 K 4.0256 8.8933 121.8723 58.2379 32.3176 177.0904 18 A 4.7361 7.4824 121.1051 51.8500 19.3574 177.9559 19 S 4.3922 7.8668 110.7600 60.9772 62.3405 175.6652 20 G 4.0841 8.8070 109.4468 44.6348 0.0000 173.3597 21 K 4.6789 7.5886 117.8609 54.0219 35.2689 175.8015 22 L 4.2655 8.3983 124.0997 55.3646 43.4318 175.4964 23 V 4.8057 9.5849 127.4560 61.1374 34.1908 174.1561 24 V 4.3567 8.7547 128.3149 61.1351 33.5578 174.0000 25 L 4.7910 8.7837 128.6903 52.9984 44.1071 175.0275 26 D 4.5454 8.7461 124.7492 52.2596 42.9991 174.7380 27 F 4.8292 8.7817 126.7357 56.8892 40.3217 175.2180 28 F 5.2642 9.2348 118.8311 55.5766 42.1806 172.9660 29 A 4.2171 7.8363 118.0213 50.3676 21.6779 177.7983 30 T 3.9760 8.2746 110.5449 63.4064 69.2009 175.2607 31 W 4.5809 7.4130 117.5020 56.6765 28.9729 176.8071 32 C 4.7503 7.5360 120.8046 55.2962 44.0640 173.7426 33 G 3.6746 8.7146 115.6851 47.5166 0.0000 172.9642 34 P 4.3363 0.0000 0.0000 65.5727 30.9330 178.7798 35 C 4.2150 8.2296 115.6032 60.1035 39.9506 176.2513 36 K 3.9107 7.5990 118.5020 59.5492 31.6904 178.9363 37 M 4.1715 8.0344 117.7839 57.7540 32.4837 177.0919 38 I 4.2461 7.6503 116.7909 61.3307 38.8665 176.9102 39 S 4.1003 7.7424 113.8614 61.6715 62.1460 174.3202 40 P 4.2826 0.0000 0.0000 65.1674 31.0819 178.5112 41 K 3.9641 7.8709 118.2264 59.1852 32.1520 178.2051 42 L 3.9296 7.9558 120.6917 58.4723 42.0779 179.0823 43 V 3.5648 7.6235 117.4010 65.9752 31.4904 177.5471 44 E 3.9198 8.0534 118.4074 59.4650 29.5361 178.9399 45 L 4.1936 8.1961 118.9982 57.5347 41.4105 179.3273 46 S 4.1750 8.1709 113.3031 61.7795 62.4468 176.1251 47 T 4.1218 7.5971 110.2105 64.3441 68.7949 176.2928 48 Q 3.9494 7.8009 121.7754 57.9572 29.4663 177.0648 49 F 4.9433 8.4394 118.4840 56.1521 40.4249 175.7926 50 A 4.3379 7.4241 120.7946 53.2700 19.1513 176.9534 51 D 5.2619 9.1304 120.9215 54.1175 39.0465 175.6255 52 N 5.1791 7.9154 111.6512 52.0767 38.6189 174.3170 53 V 4.7129 7.7547 116.8433 61.9515 35.2241 173.9551 54 V 4.3857 8.8116 126.9341 61.1116 33.9691 174.0437 55 V 4.7125 7.9674 125.0783 61.2628 33.4866 174.1974 56 L 5.1243 9.0876 128.1222 52.8213 44.8321 175.3912 57 K 4.8161 9.0419 125.0570 54.7766 35.0004 175.8125 58 V 4.5822 8.8686 126.1382 60.1034 33.6873 173.5684 59 D 4.0193 8.4975 126.5898 52.4617 40.0420 177.8330 60 V 3.7251 8.5169 117.6672 63.8146 31.4109 177.4765 61 D 4.4870 7.8484 120.4367 56.2758 40.8870 176.8255 62 E 4.4031 7.8408 116.2884 56.4318 31.2515 175.1764 63 C 4.9794 7.5058 114.5528 58.5746 28.8308 175.0207 64 E 4.1875 8.0421 121.4541 59.3864 29.5458 179.0195 65 D 4.4183 8.0694 119.0589 56.5549 39.5324 178.5898 66 I 3.9805 7.8458 120.5687 63.8916 37.2327 178.0728 67 A 4.1196 8.0975 121.4928 55.3967 18.2535 179.3867 68 M 3.9996 8.1672 116.8399 58.6758 32.0820 177.9477 69 E 3.9703 8.0641 118.7038 58.8350 29.7601 177.4999 70 Y 4.3543 7.6657 113.7782 56.4325 39.3448 175.5942 71 N 4.1067 7.9353 115.5633 54.2771 36.8039 175.1230 72 I 3.8185 7.5473 118.0095 61.4660 38.0312 177.1205 73 S 4.6455 8.3601 115.3493 57.6358 65.1729 173.5404 74 S 4.8180 7.7966 113.7885 56.8220 65.5021 172.4487 75 M 4.8249 8.1609 122.4456 52.9331 35.8729 173.3781 76 P 4.6532 0.0000 0.0000 62.8909 33.6802 174.8203 77 T 4.8311 8.0644 115.5480 61.7048 72.2900 173.1202 78 F 4.8983 8.9683 125.3927 55.6085 41.5286 174.6098 79 V 4.7006 8.6251 124.4742 61.0848 34.0633 174.1049 80 F 5.2700 9.4789 127.0056 55.9559 40.8490 174.8128 81 L 5.4330 8.8791 123.8319 53.1735 45.6406 175.8326 82 K 4.6177 9.4552 120.0305 56.3556 36.2010 175.2792 83 N 4.2261 10.0245 126.5588 54.5165 36.1835 175.1630 84 G 3.9273 8.4225 102.3750 45.6256 0.0000 173.5202 85 V 4.2396 7.8815 120.2188 60.4693 33.4078 174.7946 86 K 4.6910 8.5467 128.4091 55.5643 31.3055 176.6643 87 V 3.7813 8.6643 121.4491 62.6559 31.9024 176.1872 88 E 5.2875 7.7419 121.0851 56.6108 32.3701 174.9020 89 E 5.6992 8.5955 118.5928 56.0635 32.2614 174.1358 90 F 5.0389 8.6606 113.8356 56.5263 41.5795 172.7325 91 A 5.0074 9.2386 122.2495 50.6275 21.7784 176.8222 92 G 4.0901 9.1149 105.3954 45.9166 0.0000 174.5242 93 A 4.5242 8.1469 123.8039 50.7707 17.6066 178.4867 94 N 4.7291 7.9340 119.8262 51.2653 39.3390 173.9104 95 A 4.0122 8.3754 130.3220 54.9480 18.6439 178.8638 96 K 3.9048 8.0350 117.6568 59.4923 32.3255 178.9791 97 R 3.8454 8.3517 119.2235 58.9956 29.9476 178.1380 98 L 4.1523 7.8771 120.2745 58.2789 41.9898 178.6998 99 E 3.9642 7.9390 119.0291 59.1439 29.5382 178.1718 100 D 4.2775 7.9386 119.0210 57.5801 40.9556 178.9509 101 V 3.2883 7.6989 118.3426 65.9884 31.4412 178.2338 102 I 3.5543 7.3998 118.7525 64.2769 36.7354 178.5822 103 K 3.7883 7.8205 117.9337 59.4701 32.0009 179.1693 104 A 4.1417 8.4416 119.9014 54.0256 18.2857 177.8214 105 N 4.7955 7.5776 112.0181 52.6699 39.6280 174.5457 106 I 3.7741 7.5047 124.4034 61.5766 37.9402 175.2768 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.16 4.37 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.62 0.00 2 V 7.30 4.39 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 0.74 0.00 0.00 0.91 0.00 0.00 3 Y 8.17 4.15 0.00 3.07 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 4 Q 7.87 4.89 0.00 1.97 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.66 0.00 0.00 0.00 0.00 0.00 2.23 2.54 0.00 5 V 8.30 4.60 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 0.91 0.00 0.00 1.07 0.00 0.00 6 K 8.46 4.44 0.00 1.64 1.66 0.00 1.88 0.00 0.00 1.75 0.00 0.00 3.13 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.34 1.38 7.81 7 D 8.77 4.29 0.00 3.02 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 8 K 8.62 3.93 0.00 1.85 1.88 0.00 1.84 0.00 0.00 1.93 0.00 0.00 3.09 0.00 0.00 3.43 0.00 0.00 0.00 0.00 1.59 1.51 7.81 9 A 8.15 3.98 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 10 D 8.65 4.40 0.00 3.00 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 11 L 7.65 4.00 0.00 1.79 1.93 0.88 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 12 D 7.66 4.75 0.00 2.84 2.59 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 0.00 13 G 8.96 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 14 Q 7.51 3.96 0.00 2.48 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.75 0.00 0.00 0.00 0.00 0.00 2.15 2.26 0.00 15 L 7.69 4.01 0.00 1.69 1.74 1.01 0.96 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 16 T 7.71 4.04 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 1.20 0.00 0.00 17 K 8.89 4.03 0.00 1.82 1.78 0.00 1.59 0.00 0.00 1.67 0.00 0.00 3.21 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.46 7.81 18 A 7.48 4.74 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 19 S 7.87 4.39 0.00 4.14 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 20 G 8.81 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 21 K 7.59 4.68 0.00 1.64 1.89 0.00 1.78 0.00 0.00 1.81 0.00 0.00 2.78 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.41 7.81 22 L 8.40 4.27 0.00 1.80 1.56 1.09 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 23 V 9.58 4.81 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 0.71 0.00 0.00 0.99 0.00 0.00 24 V 8.75 4.36 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 0.46 0.00 0.00 0.95 0.00 0.00 25 L 8.78 4.79 0.00 1.44 1.07 0.63 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.75 4.55 0.00 2.61 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 0.00 0.00 0.00 27 F 8.78 4.83 0.00 2.92 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 F 9.23 5.26 0.00 2.91 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.84 4.22 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.27 3.98 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 1.21 0.00 0.00 31 W 7.41 4.58 0.00 3.45 3.18 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 C 7.54 4.75 0.00 2.37 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 33 G 8.71 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 0.00 0.00 0.00 34 P 0.00 4.34 0.00 2.33 2.39 0.00 3.77 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 35 C 8.23 4.21 0.00 3.20 3.21 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 36 K 7.60 3.91 0.00 1.82 1.88 0.00 1.74 0.00 0.00 1.66 0.00 0.00 3.15 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.69 7.81 37 M 8.03 4.17 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.62 0.00 38 I 7.65 4.25 1.98 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 1.51 1.32 1.20 0.00 0.00 39 S 7.74 4.10 0.00 4.00 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 40 P 0.00 4.28 0.00 2.20 2.08 0.00 3.69 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 41 K 7.87 3.96 0.00 1.89 1.92 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.57 7.81 42 L 7.96 3.93 0.00 1.89 1.84 1.01 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.62 3.56 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 0.93 0.00 0.00 0.93 0.00 0.00 44 E 8.05 3.92 0.00 2.20 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 2.30 2.34 0.00 45 L 8.20 4.19 0.00 1.99 2.01 0.97 0.87 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 46 S 8.17 4.17 0.00 3.94 4.13 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 0.00 0.00 0.00 47 T 7.60 4.12 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 1.21 0.00 0.00 48 Q 7.80 3.95 0.00 2.06 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.47 0.00 0.00 0.00 0.00 0.00 1.62 2.08 0.00 49 F 8.44 4.94 0.00 3.28 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.42 4.34 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 51 D 9.13 5.26 0.00 2.88 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 52 N 7.92 5.18 0.00 2.70 2.88 0.00 0.00 5.71 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 53 V 7.75 4.71 2.41 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 0.73 0.00 0.00 0.94 0.00 0.00 54 V 8.81 4.39 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 0.94 0.00 0.00 0.93 0.00 0.00 55 V 7.97 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 0.90 0.00 0.00 0.96 0.00 0.00 56 L 9.09 5.12 0.00 1.48 1.41 0.89 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 57 K 9.04 4.82 0.00 1.61 1.52 0.00 1.16 0.00 0.00 0.80 0.00 0.00 2.13 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.63 0.99 7.81 58 V 8.87 4.58 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 -0.68 0.00 0.00 0.67 0.00 0.00 59 D 8.50 4.02 0.00 1.58 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 0.00 0.00 0.00 60 V 8.52 3.73 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 0.72 0.00 0.00 0.87 0.00 0.00 61 D 7.85 4.49 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 62 E 7.84 4.40 0.00 1.98 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 2.22 2.24 0.00 63 C 7.51 4.98 0.00 2.98 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.04 4.19 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.45 0.00 65 D 8.07 4.42 0.00 2.94 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 I 7.85 3.98 2.12 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 1.68 1.35 1.13 0.00 0.00 67 A 8.10 4.12 1.46 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 0.00 0.00 0.00 68 M 8.17 4.00 0.00 2.26 2.09 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 2.60 2.55 0.00 69 E 8.06 3.97 0.00 2.14 2.36 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 1.86 2.20 0.00 70 Y 7.67 4.35 0.00 2.44 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 71 N 7.94 4.11 0.00 2.77 2.79 0.00 0.00 6.90 6.89 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 72 I 7.55 3.82 1.75 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 0.81 -0.33 0.86 0.00 0.00 73 S 8.36 4.65 0.00 3.92 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 74 S 7.80 4.82 0.00 3.81 3.73 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 75 M 8.16 4.82 0.00 1.82 1.75 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 2.47 2.45 0.00 76 P 0.00 4.65 0.00 1.56 2.02 0.00 3.69 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.11 0.00 77 T 8.06 4.83 4.09 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 1.07 0.00 0.00 78 F 8.97 4.90 0.00 2.19 2.36 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 79 V 8.63 4.70 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 1.19 0.00 0.00 0.97 0.00 0.00 80 F 9.48 5.27 0.00 3.23 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 81 L 8.88 5.43 0.00 1.61 1.59 1.10 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 82 K 9.46 4.62 0.00 1.83 1.65 0.00 1.81 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.33 1.41 7.81 83 N 10.02 4.23 0.00 2.87 2.85 0.00 0.00 7.19 7.65 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 84 G 8.42 3.93 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 0.00 0.00 0.00 85 V 7.88 4.24 2.27 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 1.08 0.00 0.00 0.95 0.00 0.00 86 K 8.55 4.69 0.00 1.84 1.80 0.00 1.91 0.00 0.00 1.76 0.00 0.00 3.20 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.59 7.81 87 V 8.66 3.78 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 0.81 0.00 0.00 1.04 0.00 0.00 88 E 7.74 5.29 0.00 2.10 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 2.27 2.12 0.00 89 E 8.60 5.70 0.00 2.24 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 90 F 8.66 5.04 0.00 3.17 3.21 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 91 A 9.24 5.01 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 92 G 9.11 4.09 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 0.00 93 A 8.15 4.52 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 94 N 7.93 4.73 0.00 2.86 2.81 0.00 0.00 6.93 8.60 0.00 0.00 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 A 8.38 4.01 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 96 K 8.03 3.90 0.00 1.86 1.91 0.00 1.60 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.50 7.81 97 R 8.35 3.85 0.00 1.87 1.13 0.00 3.02 0.00 0.00 2.91 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.27 0.00 98 L 7.88 4.15 0.00 1.87 1.80 0.43 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 99 E 7.94 3.96 0.00 2.10 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 2.40 2.55 0.00 100 D 7.94 4.28 0.00 2.86 2.59 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 0.00 101 V 7.70 3.29 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 -0.38 0.00 0.00 0.71 0.00 0.00 102 I 7.40 3.55 1.56 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.27 0.14 0.00 0.00 103 K 7.82 3.79 0.00 1.72 1.88 0.00 1.78 0.00 0.00 1.81 0.00 0.00 3.33 0.00 0.00 3.47 0.00 0.00 0.00 0.00 1.76 1.70 7.81 104 A 8.44 4.14 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 0.00 105 N 7.58 4.80 0.00 2.72 2.78 0.00 0.00 6.91 7.40 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 0.00 106 I 7.50 3.77 1.91 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.75 0.95 0.00 0.00