NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.2303 8.4445 119.1061 54.1467 29.2707 174.9700 4 L 3.7811 7.5916 121.4556 53.4097 41.9841 176.9538 5 T 4.1063 8.2033 117.8496 61.0117 68.9531 174.3457 6 E 3.9436 8.8037 122.7205 59.6790 28.9700 178.6197 7 E 3.9125 8.3311 120.0870 58.9132 29.2762 177.6387 8 Q 4.4877 7.8458 116.2925 56.7487 29.3655 175.3882 9 I 4.3200 8.7818 119.0593 63.7772 39.3511 177.5642 10 A 4.1882 8.2500 121.5932 56.1739 18.0293 178.6920 11 E 4.2417 8.1977 115.9114 59.1093 29.2806 178.9299 12 F 4.2459 8.3019 117.7254 59.1740 40.1184 175.7564 13 K 4.7281 9.1140 117.5786 58.3432 34.1756 178.2514 14 E 4.1691 9.2438 116.5184 58.0638 29.3942 177.5316 15 A 4.6672 7.9110 120.9118 52.9349 21.3229 178.2728 16 F 4.0495 8.1904 116.8330 61.0148 39.4598 176.5558 17 S 4.0989 9.0006 117.3874 61.3646 63.1398 176.4801 18 L 4.0985 7.5652 120.2685 57.7691 42.1673 177.5371 19 F 4.4862 7.7023 115.9891 57.2722 39.2113 176.1201 20 D 4.4684 8.6783 123.0131 51.4762 39.0413 175.3755 21 K 3.5412 7.5093 122.0935 59.8479 33.4496 177.4083 22 D 4.5767 8.2665 118.0051 59.0555 37.8168 179.0667 23 G 3.9261 6.8279 105.1593 47.7298 0.0000 174.7599 24 D 4.3198 9.8780 118.9259 52.9005 39.5043 176.8368 25 G 5.0705 8.1269 122.1446 45.0734 0.0000 171.7485 26 T 5.0078 7.7249 108.8576 59.4521 71.9553 173.0165 27 I 4.6650 8.3141 116.2575 59.2925 40.4550 176.9808 28 T 4.1497 9.8886 115.2564 62.4312 69.2031 173.5192 29 T 4.1234 8.8337 115.4200 66.1470 68.6202 176.3636 30 K 3.8047 8.0272 119.8304 60.0987 32.1876 179.0410 31 E 3.9365 8.1111 118.2865 59.1192 29.3169 179.1170 32 L 3.9352 8.2219 120.6939 58.1575 42.3818 178.9517 33 G 3.9588 8.1703 105.2559 48.5602 0.0000 175.4849 34 T 3.8573 8.0220 118.2131 66.1032 68.3859 177.0814 35 V 2.8568 7.6586 120.3760 65.9995 31.3924 178.0720 36 M 3.9556 8.0906 118.2181 58.5836 31.8273 178.3840 37 R 4.6400 7.8977 119.0685 58.9328 30.0821 178.7611 38 S 4.0164 7.5077 112.6248 61.8566 62.7693 176.3499 39 L 4.1285 7.0075 117.7284 54.8466 41.0236 177.7968 40 G 3.8546 8.6264 107.7580 45.5261 0.0000 173.1763 41 Q 4.6847 7.5984 119.6284 55.0198 31.7958 173.9450 42 N 4.6221 7.9859 114.7677 52.5143 37.8296 172.4535 43 P 4.5858 0.0000 0.0000 61.9119 33.0794 175.9496 44 T 4.3167 8.0405 108.1759 60.6121 69.7739 175.4464 45 E 3.9231 8.7610 122.1538 58.9311 29.5331 178.0898 46 A 4.6234 7.8260 119.1277 52.1879 21.4602 177.2373 47 E 4.1260 8.3785 115.8911 57.9425 29.4609 178.1538 48 L 3.9502 7.6052 118.9891 58.9252 41.7352 177.4154 49 Q 4.1935 8.5284 118.9411 56.9601 28.3968 178.8703 50 D 4.6876 7.1666 122.6431 57.1756 42.3099 179.2549 51 M 4.1887 7.6944 117.0124 58.3369 32.1101 178.6487 52 I 3.7969 7.5842 117.9925 64.0702 38.3043 177.0667 53 N 4.5390 9.2410 116.5139 55.9499 38.7953 175.4062 54 E 4.4265 7.5704 116.9649 56.7685 30.9706 176.1542 55 V 4.4322 7.9660 112.1909 60.4112 32.1582 177.0559 56 D 4.5617 7.9937 119.3937 54.1736 40.5543 177.0033 57 A 4.7135 8.4041 124.0191 52.3443 21.4577 175.6794 58 D 5.2271 7.8308 119.1118 54.4772 42.3599 178.5176 59 G 3.9114 8.6921 109.3978 47.7665 0.0000 173.0946 60 N 4.1282 9.3325 115.0192 52.7087 37.4517 172.7769 61 G 3.9711 6.9121 111.6508 45.7505 0.0000 170.6490 62 T 4.7389 7.3766 113.9212 59.9493 70.8508 172.6383 63 I 4.7061 8.1864 127.4744 59.1745 41.2570 175.1428 64 D 4.8287 8.5806 128.4643 52.8792 41.6899 176.9295 65 F 3.2955 9.1768 116.1029 60.5671 38.7552 175.3876 66 P 4.2194 0.0000 0.0000 65.8429 30.6309 178.3334 67 E 3.8554 10.6731 117.4314 59.4381 29.2477 178.9343 68 F 4.4313 7.3938 118.3697 60.1622 39.9385 177.0258 69 L 3.7989 8.5468 120.6410 58.3678 42.0383 179.0089 70 T 4.0246 8.0829 116.0875 66.2707 68.8681 176.2840 71 M 3.9944 7.6470 118.7156 57.9026 32.0954 176.9613 72 M 4.1978 7.5081 116.8816 56.1053 31.7204 176.4232 73 A 4.6864 7.5542 118.7547 51.7237 20.3166 178.1975 74 R 4.1170 7.8557 115.4962 58.5152 30.2574 177.4595 75 K 4.6788 7.6852 117.4719 56.2199 33.1735 176.0264 76 M 4.5371 8.0047 115.8480 56.4655 34.4914 176.7296 77 K 3.9877 8.1035 116.9847 57.9891 32.0824 175.5061 78 D 4.4044 6.9941 116.2731 54.7454 42.4659 175.3891 79 T 3.8125 8.0019 115.3552 63.2044 67.8222 173.0664 80 D 5.0078 8.5197 127.5746 53.5763 42.5708 177.7426 81 S 4.2729 7.9311 118.7801 61.4286 62.6301 175.8824 82 E 3.8858 8.0682 122.0247 59.2847 29.8071 178.6195 83 E 4.1626 8.1994 118.0006 59.3584 29.7153 178.5704 84 E 4.0144 8.3348 118.2273 59.9772 29.4564 179.6236 85 I 4.0930 7.7733 118.6800 63.9427 37.0034 177.6596 86 R 4.6288 8.4222 118.4181 57.4392 29.9305 177.3233 87 E 4.3577 8.0669 116.1115 58.4077 30.4658 177.6436 88 A 4.3458 8.7280 121.6957 55.0688 18.5081 179.1773 89 F 3.2915 8.4478 119.2530 61.6046 39.3100 177.5892 90 R 3.9693 7.8442 115.8356 58.8227 29.8323 179.1561 91 V 3.6704 7.4279 117.6971 66.1265 31.7652 177.8384 92 F 4.2348 8.2000 114.6922 58.8194 40.3742 176.4209 93 D 4.4760 7.4445 120.2278 52.7066 37.5943 176.5820 94 K 4.1989 8.0562 117.9483 57.5775 32.5545 177.4945 95 D 4.7499 7.9191 116.8776 52.1478 40.5482 176.4968 96 G 3.8427 8.3460 107.7708 46.4840 0.0000 173.5389 97 N 4.7644 8.0249 112.7885 51.5792 37.4049 176.9171 98 G 3.9750 8.1087 104.9852 46.7537 0.0000 173.3988 99 Y 5.1059 7.9226 116.1294 56.2222 41.3977 175.0434 100 I 4.7456 9.0608 122.8260 59.6109 39.8511 174.9950 101 S 5.0411 8.7440 120.2205 55.9298 65.8406 174.8844 102 A 3.5692 8.9911 123.0190 56.0698 17.7632 179.4086 103 A 3.9788 8.1250 118.9815 55.5504 18.3721 179.4177 104 E 3.9709 8.2152 114.2275 59.4678 29.7560 178.4274 105 L 4.2352 8.9575 122.7738 57.8506 41.8575 178.4535 106 R 3.8989 8.2900 119.7863 60.5170 30.3923 177.6510 107 H 4.1940 8.6424 118.0882 59.4424 29.3180 177.2821 108 V 3.4090 8.4609 120.3084 66.0752 31.4818 178.2952 109 M 4.2105 8.7811 119.0593 57.8980 30.8878 178.4842 110 T 4.6263 7.7378 111.2846 63.5951 69.4035 176.7102 111 N 4.9318 8.0901 117.6926 55.7899 38.6513 175.4279 112 L 4.2817 7.4809 115.0936 54.5352 41.5192 177.2153 113 G 3.8503 9.4998 106.5121 45.8116 0.0000 173.0860 114 E 4.5000 8.0280 120.1287 53.8700 31.2662 175.2543 115 K 4.4367 8.5131 125.3726 55.0525 32.1679 175.4928 116 L 4.7304 8.1215 123.7825 52.7641 44.1074 176.5377 117 T 4.1703 8.3460 117.3239 61.4273 67.8047 174.9234 118 D 4.3904 8.8438 127.5689 57.6462 40.6712 179.0770 119 E 4.0254 8.3222 119.0487 59.3500 29.4679 178.2805 120 E 4.3819 8.0052 114.7048 56.9947 29.7781 177.9266 121 V 4.1350 7.4239 119.0109 64.9870 32.2176 177.1226 122 D 4.4900 7.6983 116.6399 56.4786 40.2493 178.1777 123 Q 4.1143 7.7577 119.4989 59.4130 29.1087 176.7481 124 M 4.2767 8.5607 120.5619 56.9919 31.7619 179.0100 125 I 3.5870 7.1976 121.3824 64.8236 38.0634 177.2523 126 R 3.8809 7.7692 118.3553 60.0765 29.5934 177.8006 127 E 4.0880 8.0413 118.6023 58.7262 29.8002 178.3763 128 A 4.2774 7.7132 119.4468 52.8177 19.3024 176.8991 129 D 4.7454 7.9112 117.9555 53.9738 41.9777 175.8596 130 I 4.2920 8.8385 126.8332 61.9003 39.0654 176.1930 131 D 4.6469 8.2811 117.5776 52.4529 39.7057 178.1215 132 G 3.8885 7.9148 108.5896 46.2059 0.0000 175.2316 133 D 4.6020 7.7609 116.9424 53.3453 38.7443 177.4136 134 G 4.1261 8.4839 106.0457 46.4978 0.0000 173.6716 135 Q 4.6902 7.7366 114.2224 54.5379 32.1878 174.4489 136 V 4.6650 8.5122 114.5223 60.2848 33.5780 175.4688 137 N 5.0243 9.0122 122.9850 51.5115 39.8281 175.2213 138 Y 3.0643 8.2272 119.0673 61.5129 38.4789 177.7569 139 E 3.6706 8.1035 117.2722 60.2589 29.5385 179.2695 140 E 3.9693 9.5646 117.7559 59.3788 29.7130 179.1893 141 F 4.1747 8.5964 121.9911 61.3763 39.4152 177.1340 142 V 3.3668 8.3632 118.9285 66.0155 31.0559 178.0155 143 Q 3.8301 7.8317 117.6513 59.0097 28.4165 177.8444 144 M 3.8702 7.8721 118.2717 59.8664 32.2595 177.3247 145 M 3.8556 7.6438 117.1091 58.1739 32.2227 177.7271 146 T 3.9872 7.7133 111.8385 63.7461 69.4059 174.6264 147 A 3.8184 7.2988 124.3640 52.0117 18.7462 177.3044 148 K 4.1124 8.5740 122.9301 56.5871 32.2897 176.0914 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 3 Q 8.44 4.23 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.83 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 4 L 7.59 3.78 0.00 1.74 1.51 0.92 0.62 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 5 T 8.20 4.11 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 1.23 0.00 0.00 6 E 8.80 3.94 0.00 2.24 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 2.37 2.38 0.00 7 E 8.33 3.91 0.00 2.08 2.04 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 2.44 2.43 0.00 8 Q 7.85 4.49 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.51 0.00 0.00 0.00 0.00 0.00 1.94 2.39 0.00 9 I 8.78 4.32 1.99 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.06 0.96 0.00 0.00 10 A 8.25 4.19 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 11 E 8.20 4.24 0.00 2.29 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.64 0.00 12 F 8.30 4.25 0.00 3.38 3.44 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 13 K 9.11 4.73 0.00 2.13 1.96 0.00 1.84 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.51 1.73 7.81 14 E 9.24 4.17 0.00 2.11 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 0.00 2.42 2.48 0.00 15 A 7.91 4.67 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 16 F 8.19 4.05 0.00 2.83 3.27 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 17 S 9.00 4.10 0.00 3.96 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 18 L 7.57 4.10 0.00 1.91 2.13 1.04 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.70 4.49 0.00 2.95 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 20 D 8.68 4.47 0.00 2.37 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 21 K 7.51 3.54 0.00 1.60 1.66 0.00 1.83 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.49 7.81 22 D 8.27 4.58 0.00 2.83 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 23 G 6.83 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 24 D 9.88 4.32 0.00 2.81 2.66 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 25 G 8.13 5.07 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 0.00 0.00 0.00 26 T 7.72 5.01 4.36 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 1.22 0.00 0.00 27 I 8.31 4.67 1.69 0.00 0.00 0.71 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 0.97 -0.12 0.00 0.00 28 T 9.89 4.15 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 1.22 0.00 0.00 29 T 8.83 4.12 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 1.22 0.00 0.00 30 K 8.03 3.80 0.00 1.83 1.89 0.00 1.55 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.62 7.81 31 E 8.11 3.94 0.00 2.10 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.28 0.00 32 L 8.22 3.94 0.00 1.79 1.83 1.14 1.48 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 33 G 8.17 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 34 T 8.02 3.86 4.35 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 1.32 0.00 0.00 35 V 7.66 2.86 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.69 0.00 0.00 36 M 8.09 3.96 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.77 0.00 37 R 7.90 4.64 0.00 1.79 1.94 0.00 3.14 0.00 0.00 3.29 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 38 S 7.51 4.02 0.00 3.88 3.65 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 0.00 0.00 0.00 0.00 39 L 7.01 4.13 0.00 1.70 1.55 0.25 1.21 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 40 G 8.63 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 41 Q 7.60 4.68 0.00 2.21 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.92 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 42 N 7.99 4.62 0.00 2.79 2.80 0.00 0.00 5.94 7.75 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 43 P 0.00 4.59 0.00 2.21 2.13 0.00 3.75 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 44 T 8.04 4.32 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 45 E 8.76 3.92 0.00 1.97 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 2.33 2.34 0.00 46 A 7.83 4.62 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 47 E 8.38 4.13 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 48 L 7.61 3.95 0.00 1.89 1.70 0.95 0.67 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 49 Q 8.53 4.19 0.00 2.33 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.19 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 50 D 7.17 4.69 0.00 2.68 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 M 7.69 4.19 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.55 0.00 52 I 7.58 3.80 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.04 1.03 0.00 0.00 53 N 9.24 4.54 0.00 2.74 2.93 0.00 0.00 7.27 7.53 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 54 E 7.57 4.43 0.00 2.31 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 2.30 2.38 0.00 55 V 7.97 4.43 2.45 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 0.74 0.00 0.00 1.15 0.00 0.00 56 D 7.99 4.56 0.00 2.68 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 57 A 8.40 4.71 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 D 7.83 5.23 0.00 2.79 2.53 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 59 G 8.69 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 60 N 9.33 4.13 0.00 2.60 2.78 0.00 0.00 6.98 7.86 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 61 G 6.91 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 62 T 7.38 4.74 4.25 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 1.23 0.00 0.00 63 I 8.19 4.71 1.95 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.42 1.08 0.00 0.00 64 D 8.58 4.83 0.00 3.07 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 65 F 9.18 3.30 0.00 2.94 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 66 P 0.00 4.22 0.00 2.39 2.08 0.00 4.03 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.22 0.00 67 E 10.67 3.86 0.00 2.20 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 2.38 2.93 0.00 68 F 7.39 4.43 0.00 2.91 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 69 L 8.55 3.80 0.00 1.65 1.71 0.78 1.01 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 70 T 8.08 4.02 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 1.17 0.00 0.00 71 M 7.65 3.99 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.58 0.00 72 M 7.51 4.20 0.00 1.47 1.73 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 2.77 1.80 0.00 73 A 7.55 4.69 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 74 R 7.86 4.12 0.00 2.05 1.98 0.00 3.28 0.00 0.00 3.13 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 75 K 7.69 4.68 0.00 1.64 1.70 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.31 1.41 7.81 76 M 8.00 4.54 0.00 2.30 1.86 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.35 0.00 77 K 8.10 3.99 0.00 1.66 1.96 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.46 7.81 78 D 6.99 4.40 0.00 2.60 2.45 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 0.00 0.00 0.00 0.00 79 T 8.00 3.81 4.25 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 1.23 0.00 0.00 80 D 8.52 5.01 0.00 2.66 2.60 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 0.00 0.00 0.00 0.00 81 S 7.93 4.27 0.00 4.11 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 82 E 8.07 3.89 0.00 2.03 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 2.39 2.56 0.00 83 E 8.20 4.16 0.00 2.13 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 2.42 2.48 0.00 84 E 8.33 4.01 0.00 2.27 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 0.00 2.45 2.54 0.00 85 I 7.77 4.09 2.16 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 1.40 1.14 0.99 0.00 0.00 86 R 8.42 4.63 0.00 1.89 2.09 0.00 2.95 0.00 0.00 2.90 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.31 0.00 87 E 8.07 4.36 0.00 2.19 2.04 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 2.30 2.67 0.00 88 A 8.73 4.35 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 F 8.45 3.29 0.00 3.35 3.34 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 90 R 7.84 3.97 0.00 1.83 2.02 0.00 3.23 0.00 0.00 3.17 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.94 0.00 91 V 7.43 3.67 2.33 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 0.53 0.00 0.00 0.97 0.00 0.00 92 F 8.20 4.23 0.00 2.59 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 93 D 7.44 4.48 0.00 2.08 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 K 8.06 4.20 0.00 2.00 1.83 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.55 7.81 95 D 7.92 4.75 0.00 2.70 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.35 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 97 N 8.02 4.76 0.00 3.06 3.19 0.00 0.00 6.90 6.80 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 98 G 8.11 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Y 7.92 5.11 0.00 2.89 2.90 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 0.00 0.00 0.00 100 I 9.06 4.75 1.99 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.22 0.90 0.00 0.00 101 S 8.74 5.04 0.00 3.91 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 0.00 102 A 8.99 3.57 1.37 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 0.00 103 A 8.13 3.98 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 0.00 104 E 8.22 3.97 0.00 2.49 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 105 L 8.96 4.24 0.00 1.81 1.86 1.13 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 106 R 8.29 3.90 0.00 1.90 2.30 0.00 3.35 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 107 H 8.64 4.19 0.00 3.34 3.41 0.00 5.84 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 0.00 108 V 8.46 3.41 1.66 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 0.51 0.00 0.00 0.82 0.00 0.00 109 M 8.78 4.21 0.00 2.07 2.38 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.96 0.00 110 T 7.74 4.63 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 1.31 0.00 0.00 111 N 8.09 4.93 0.00 2.60 2.86 0.00 0.00 6.90 7.85 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 0.00 112 L 7.48 4.28 0.00 1.65 1.67 0.85 0.86 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 0.00 113 G 9.50 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 0.00 114 E 8.03 4.50 0.00 2.08 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 2.24 2.31 0.00 115 K 8.51 4.44 0.00 1.78 1.77 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.38 7.81 116 L 8.12 4.73 0.00 1.63 1.58 0.97 0.95 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 0.00 117 T 8.35 4.17 4.25 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 1.25 0.00 0.00 118 D 8.84 4.39 0.00 2.79 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 0.00 119 E 8.32 4.03 0.00 2.04 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 2.50 0.00 120 E 8.01 4.38 0.00 1.96 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 2.35 2.32 0.00 121 V 7.42 4.13 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 1.18 0.00 0.00 0.97 0.00 0.00 122 D 7.70 4.49 0.00 2.78 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.76 4.11 0.00 2.37 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 124 M 8.56 4.28 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.60 0.00 125 I 7.20 3.59 1.90 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 1.70 0.75 0.97 0.00 0.00 126 R 7.77 3.88 0.00 2.15 1.90 0.00 3.11 0.00 0.00 3.10 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 127 E 8.04 4.09 0.00 2.05 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 2.34 0.00 128 A 7.71 4.28 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 0.00 129 D 7.91 4.75 0.00 2.77 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 0.00 130 I 8.84 4.29 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.76 0.91 0.00 0.00 131 D 8.28 4.65 0.00 2.84 2.90 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 0.00 0.00 0.00 132 G 7.91 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 D 7.76 4.60 0.00 2.89 2.87 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 0.00 134 G 8.48 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 0.00 0.00 0.00 135 Q 7.74 4.69 0.00 2.28 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.60 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 136 V 8.51 4.67 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 0.79 0.00 0.00 1.07 0.00 0.00 137 N 9.01 5.02 0.00 2.69 3.05 0.00 0.00 6.15 7.01 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 0.00 138 Y 8.23 3.06 0.00 2.06 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 0.00 139 E 8.10 3.67 0.00 2.30 1.87 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 2.38 2.39 0.00 140 E 9.56 3.97 0.00 2.33 2.23 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 2.70 2.58 0.00 141 F 8.60 4.17 0.00 3.27 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 0.00 142 V 8.36 3.37 1.83 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 0.78 0.00 0.00 -0.35 0.00 0.00 143 Q 7.83 3.83 0.00 2.21 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.48 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 144 M 7.87 3.87 0.00 1.95 2.06 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.63 0.00 145 M 7.64 3.86 0.00 1.82 1.60 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.37 0.00 146 T 7.71 3.99 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 147 A 7.30 3.82 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 0.00 148 K 8.57 4.11 0.00 1.70 1.67 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.40 7.81