NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 A 4.3384 8.2531 123.5847 50.8899 21.2026 176.2678 0 G 4.0511 7.6818 96.9436 43.9707 0.0000 169.5957 1 L 4.7846 8.8306 124.3736 55.1000 43.1229 174.5906 2 Q 4.7892 9.2499 123.9602 54.3467 33.5899 174.0643 3 R 5.2432 8.5875 119.0242 54.9708 33.0919 175.2025 4 T 4.7635 8.8384 115.7712 60.4419 72.0437 171.7861 5 L 5.2944 8.4066 126.9179 53.3412 44.5123 175.1273 6 V 5.0068 8.8947 125.8780 61.1240 34.7189 173.8093 7 L 4.9857 8.7624 127.6438 53.0813 44.0082 175.4503 8 I 4.5472 8.8998 125.6198 60.5017 38.5860 175.9845 9 K 4.4713 9.1480 127.2737 54.9822 33.5336 176.3484 10 P 4.6033 0.0000 0.0000 65.2436 30.9542 178.6616 11 D 4.5946 8.5177 117.0498 56.2094 39.3158 178.3906 12 A 3.9985 8.3138 122.7282 55.0202 18.2009 179.6333 13 F 4.0403 8.3005 115.9674 60.4304 38.9353 177.2463 14 E 4.0605 8.3520 118.0534 59.2401 29.5688 178.3723 15 R 4.3661 7.8723 114.0773 55.0706 30.7948 176.2477 16 S 3.7542 7.6907 113.9378 60.2289 60.7751 172.2638 17 L 4.5950 8.1974 117.3418 54.6283 42.5424 179.1704 18 V 3.3114 7.6306 120.0874 66.0301 31.3983 177.8427 19 A 3.9740 7.8188 120.0268 54.9378 18.3550 178.7668 20 E 3.8371 8.1806 117.3980 59.6185 29.4866 179.1261 21 I 3.6671 7.6754 119.4204 64.8079 37.2744 178.3516 22 M 4.2693 8.1664 119.6249 58.4000 31.6866 179.0969 23 G 3.6925 8.8209 106.2312 47.8910 0.0000 175.9325 24 R 3.9602 7.7218 119.3244 59.0773 30.1983 178.9837 25 I 3.8496 7.5784 119.5733 64.0539 37.0816 177.8305 26 E 4.0293 8.6992 120.5687 59.5433 29.2857 179.2230 27 K 4.0821 8.2445 116.7462 58.4645 32.0923 178.1588 28 K 4.2170 7.4873 118.4147 55.7499 32.1517 175.6700 29 N 4.2329 7.9009 114.5509 54.9057 37.6286 173.7200 30 F 4.8778 7.8673 113.4646 55.7630 40.6962 175.2160 31 K 4.8808 8.7895 122.8729 54.4346 35.1345 175.7588 32 I 3.8691 8.5630 125.3307 61.7294 37.0746 175.6418 33 V 4.1905 8.8810 126.7760 64.1952 33.3917 175.9335 34 S 4.6554 7.3455 113.7612 57.4582 67.3997 172.9508 35 M 5.4495 8.3917 120.6555 54.5489 35.3507 173.9396 36 K 4.6855 9.5184 123.9407 54.6027 36.7619 174.7354 37 F 5.1117 8.6718 125.9555 56.4086 41.1074 174.6456 38 W 4.3834 8.3442 126.8002 54.5891 30.3597 176.9273 39 S 3.6446 8.3355 120.9306 60.5903 62.8170 174.5266 40 K 4.4453 7.5376 120.1260 54.7865 34.8799 174.5438 41 A 4.3936 8.2858 129.1720 50.2211 20.1492 175.1847 42 P 4.2218 0.0000 0.0000 62.5600 32.0252 177.5327 43 R 3.8124 8.7339 123.0181 59.4121 29.8466 177.7550 44 N 4.1715 8.1339 116.3773 56.8739 38.7993 176.5094 45 L 3.5382 7.4361 119.5248 57.6458 41.5771 179.5583 46 I 3.7491 7.4451 119.1060 64.5824 36.8881 178.2276 47 E 4.3081 8.2552 118.4281 59.3553 29.5724 179.2002 48 Q 4.1009 8.1043 118.1281 59.2704 28.6173 178.0317 49 H 3.9910 8.1580 118.1037 59.1978 29.9732 176.0327 50 Y 4.9841 8.3377 117.2831 57.8659 38.5057 177.7006 51 K 4.0156 8.1322 123.8356 60.4053 32.2408 178.2353 52 E 4.0468 8.3595 117.3763 58.4595 29.7270 176.9616 53 H 4.8141 8.5955 115.8577 55.2010 29.4755 176.5151 54 S 2.0000 7.5857 115.2693 60.1552 62.5132 175.1154 55 E 4.3395 7.7543 118.1173 55.9559 29.8158 175.3500 56 Q 4.4721 7.4907 119.1597 53.7924 30.6438 176.8243 57 S 4.1142 8.5633 115.4203 61.7095 63.0710 175.3241 58 Y 4.3440 7.4277 117.3428 57.8524 38.9243 176.7562 59 F 4.0500 7.8436 123.5168 61.9008 39.2878 176.8025 60 N 4.2432 8.1679 115.1266 56.3067 38.5502 177.0321 61 D 4.4113 8.1114 119.8159 57.2586 40.8796 178.3961 62 N 4.3463 8.1957 117.5732 56.8602 38.9746 176.5970 63 C 3.9562 7.5361 117.6346 62.9606 27.9310 175.8328 64 D 4.3159 7.7746 119.1431 57.4703 40.7109 178.3629 65 F 4.4029 8.1939 120.8475 61.7582 39.2251 177.0367 66 M 3.6810 8.3188 116.7818 57.1194 31.6898 178.0312 67 V 4.2378 6.9346 110.5379 60.8140 32.3429 176.1732 68 S 4.3860 7.8118 113.0382 57.9066 63.3054 173.8744 69 G 3.8175 6.9246 108.0156 45.0891 0.0000 170.9583 70 P 4.5376 0.0000 0.0000 61.9288 32.5181 175.8327 71 I 4.9064 8.3578 114.2078 59.4610 41.6397 173.8678 72 I 5.2831 8.5955 124.2516 59.6573 40.1704 174.5461 73 S 5.0970 9.0199 121.2511 56.6065 65.5170 173.1505 74 I 4.9900 8.9674 123.9016 59.5254 41.4415 174.2151 75 V 4.5388 8.5929 126.7844 61.7944 32.9801 174.2477 76 Y 5.3032 8.7115 125.4618 56.3818 41.1064 174.3669 77 E 5.2102 9.8175 122.7296 54.1123 33.6302 175.0907 78 G 4.4264 8.3701 112.2839 46.4054 0.0000 171.6276 79 T 4.4156 8.5154 117.0781 64.0374 69.0083 174.4110 80 D 4.5142 9.1485 125.4367 55.1475 40.6453 175.4331 81 A 3.7514 8.3721 120.9000 54.8132 18.3491 179.9576 82 I 3.5508 7.7107 117.9279 64.7440 37.2834 178.7294 83 S 4.1196 7.9285 113.3469 61.1579 62.3101 176.1616 84 K 4.0125 8.2254 121.3685 59.6303 31.8971 179.5328 85 I 3.4893 7.5950 120.0997 63.8955 36.8464 178.5257 86 R 3.8361 7.7354 119.4239 59.4515 29.6956 178.7866 87 R 3.9242 7.7740 116.7125 59.1494 30.2912 178.5526 88 L 4.1050 8.0179 118.8552 57.8434 41.6467 179.3923 89 Q 3.8825 8.2703 119.3787 60.0044 29.3081 176.2488 90 G 3.7696 8.3708 109.1072 46.2460 0.0000 171.5106 91 N 5.0124 8.1076 118.1720 51.1259 40.3872 175.3430 92 I 4.1030 8.2680 110.9583 62.5104 37.6247 176.4559 93 L 4.3636 8.0047 120.2516 55.1432 42.4598 176.5812 94 T 4.4157 7.6660 116.3655 60.6328 68.5869 171.8862 95 P 4.5039 0.0000 0.0000 63.5342 32.0530 176.2500 96 G 4.0593 9.9216 110.1461 45.7598 0.0000 174.7510 97 T 4.4438 7.4820 109.5895 60.0180 72.1689 175.7966 98 I 3.6577 8.7258 122.0875 64.8270 37.0800 179.1891 99 R 4.0679 8.1499 118.9118 59.0616 29.6164 179.3587 100 G 4.1552 7.7772 106.2452 47.4031 0.0000 175.0000 101 D 4.6077 8.2328 120.0310 55.5332 41.1867 177.3209 102 L 4.6555 7.9278 115.6670 53.6717 44.0398 176.1989 103 A 4.8495 7.9819 120.6353 50.4891 21.2688 175.3730 104 N 5.0304 8.4653 116.9118 53.0442 40.1650 173.4735 105 D 4.8207 7.8218 113.9149 51.5134 44.4411 175.4465 106 I 3.7477 8.3219 117.6226 63.0089 38.0716 176.4528 107 R 4.0558 7.8803 118.7449 57.7439 31.0897 176.7501 108 E 3.7664 7.9396 122.8516 55.1700 27.9957 175.7088 109 N 4.9762 7.9390 121.7089 52.1301 38.6791 177.0269 110 L 4.2167 9.3356 125.2843 56.2524 41.3451 174.4794 111 I 5.1680 8.3595 116.0953 59.7235 41.4375 173.6445 112 H 5.1251 9.3958 128.1494 54.3476 32.3386 172.6467 113 A 5.1946 8.4026 126.1400 49.7388 21.8867 176.1136 114 S 4.4719 8.5454 117.1201 59.0005 63.3315 174.4434 115 D 4.7666 8.7783 121.6649 53.4377 40.3292 176.2052 116 S 4.6245 7.4460 114.2458 56.3712 67.2063 174.5900 117 E 3.9989 8.7503 121.4896 59.6766 29.0375 179.5229 118 D 4.3480 8.0028 118.3215 57.4616 40.9975 178.5680 119 S 4.1319 8.1578 115.4130 61.6067 62.8040 176.6722 120 A 4.0290 8.1047 123.1377 55.3099 18.2505 179.7167 121 V 3.5746 7.6645 116.3371 66.3595 31.5524 177.7721 122 D 4.3580 8.0007 117.3549 57.3367 41.0977 178.0827 123 E 4.1558 8.7348 119.6436 59.3764 29.5460 179.1890 124 I 4.0883 8.3727 120.3854 64.6812 36.8789 178.6682 125 S 4.2440 8.2029 115.8500 61.4929 62.4151 176.6567 126 I 3.5136 7.5395 121.5065 64.2667 36.9548 178.0513 127 W 4.3489 8.0472 117.4938 57.4237 30.3289 176.8978 128 F 5.0741 8.8396 117.1976 54.7832 38.5452 173.8825 129 P 4.2808 0.0000 0.0000 64.7683 31.8039 178.9878 130 E 4.3631 7.8605 119.2609 58.0687 28.4590 176.9427 131 T 4.1456 7.6124 114.1509 62.6514 68.7484 173.0668 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 A 8.25 4.34 1.26 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 0.00 0.00 0 G 7.68 4.05 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 0.00 0.00 0.00 1 L 8.83 4.78 0.00 1.68 1.62 0.95 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 2 Q 9.25 4.79 0.00 2.12 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.52 0.00 0.00 0.00 0.00 0.00 2.29 2.52 0.00 3 R 8.59 5.24 0.00 1.68 1.82 0.00 3.16 0.00 0.00 3.13 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 4 T 8.84 4.76 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 1.17 0.00 0.00 5 L 8.41 5.29 0.00 1.92 1.64 1.34 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.89 5.01 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 1.13 0.00 0.00 1.05 0.00 0.00 7 L 8.76 4.99 0.00 1.53 1.33 0.39 -0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.90 4.55 2.03 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.77 0.80 0.00 0.00 9 K 9.15 4.47 0.00 2.02 1.77 0.00 1.99 0.00 0.00 1.97 0.00 0.00 3.05 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.51 1.51 7.81 10 P 0.00 4.60 0.00 1.83 1.98 0.00 3.14 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.00 0.00 11 D 8.52 4.59 0.00 3.00 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 12 A 8.31 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 F 8.30 4.04 0.00 3.36 3.22 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 14 E 8.35 4.06 0.00 2.16 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 2.41 2.47 0.00 15 R 7.87 4.37 0.00 1.94 1.95 0.00 3.38 0.00 0.00 3.26 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 16 S 7.69 3.75 0.00 3.98 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 17 L 8.20 4.60 0.00 1.58 1.60 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.63 3.31 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 0.86 0.00 0.00 -0.04 0.00 0.00 19 A 7.82 3.97 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 20 E 8.18 3.84 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 21 I 7.68 3.67 1.99 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 1.51 1.22 0.92 0.00 0.00 22 M 8.17 4.27 0.00 2.18 2.15 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 2.80 2.68 0.00 23 G 8.82 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 24 R 7.72 3.96 0.00 2.00 2.00 0.00 3.16 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 25 I 7.58 3.85 1.74 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.64 -0.15 0.00 0.00 26 E 8.70 4.03 0.00 2.15 2.15 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 2.34 2.42 0.00 27 K 8.24 4.08 0.00 1.74 1.86 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.68 1.59 7.81 28 K 7.49 4.22 0.00 1.78 1.99 0.00 1.95 0.00 0.00 1.91 0.00 0.00 3.09 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.37 1.44 7.81 29 N 7.90 4.23 0.00 2.74 2.62 0.00 0.00 7.07 6.63 0.00 0.00 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 F 7.87 4.88 0.00 3.09 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.79 4.88 0.00 1.74 1.73 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.55 7.81 32 I 8.56 3.87 1.82 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 0.86 0.48 0.79 0.00 0.00 33 V 8.88 4.19 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 0.66 0.00 0.00 0.92 0.00 0.00 34 S 7.35 4.66 0.00 2.72 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 M 8.39 5.45 0.00 1.99 1.82 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 2.56 2.66 0.00 36 K 9.52 4.69 0.00 1.65 0.93 0.00 1.29 0.00 0.00 1.07 0.00 0.00 2.70 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.10 1.47 7.81 37 F 8.67 5.11 0.00 2.99 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 38 W 8.34 4.38 0.00 3.00 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 39 S 8.34 3.64 0.00 3.96 4.15 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 40 K 7.54 4.45 0.00 1.63 1.64 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.27 1.53 7.81 41 A 8.29 4.39 1.01 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 0.00 0.00 42 P 0.00 4.22 0.00 2.00 1.93 0.00 3.18 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 43 R 8.73 3.81 0.00 1.82 1.89 0.00 3.17 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.64 0.00 44 N 8.13 4.17 0.00 2.73 2.72 0.00 0.00 7.23 6.66 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 45 L 7.44 3.54 0.00 1.43 0.53 0.64 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 46 I 7.45 3.75 1.96 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.74 1.04 0.00 0.00 47 E 8.26 4.31 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 48 Q 8.10 4.10 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 49 H 8.16 3.99 0.00 3.10 3.40 0.00 5.93 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Y 8.34 4.98 0.00 3.36 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 51 K 8.13 4.02 0.00 2.00 2.35 0.00 1.31 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.53 1.51 7.81 52 E 8.36 4.05 0.00 2.00 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 2.32 2.36 0.00 53 H 8.60 4.81 0.00 3.75 3.53 0.00 5.63 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 7.59 2.00 0.00 3.37 3.35 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 55 E 7.75 4.34 0.00 1.82 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.26 0.00 56 Q 7.49 4.47 0.00 1.12 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.76 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 57 S 8.56 4.11 0.00 4.00 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 58 Y 7.43 4.34 0.00 3.17 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 59 F 7.84 4.05 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 60 N 8.17 4.24 0.00 2.81 2.85 0.00 0.00 7.07 8.08 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 61 D 8.11 4.41 0.00 2.72 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 62 N 8.20 4.35 0.00 2.89 2.78 0.00 0.00 7.13 7.57 0.00 0.00 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 C 7.54 3.96 0.00 2.94 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 D 7.77 4.32 0.00 2.83 2.77 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 0.00 0.00 0.00 0.00 65 F 8.19 4.40 0.00 3.02 3.30 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 66 M 8.32 3.68 0.00 1.93 2.19 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.93 0.00 67 V 6.93 4.24 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 0.80 0.00 0.00 0.97 0.00 0.00 68 S 7.81 4.39 0.00 3.99 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 G 6.92 3.82 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 0.00 0.00 0.00 70 P 0.00 4.54 0.00 0.49 1.23 0.00 3.57 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.74 0.00 71 I 8.36 4.91 1.87 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.15 0.74 0.00 0.00 72 I 8.60 5.28 2.11 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.45 1.11 0.00 0.00 73 S 9.02 5.10 0.00 3.50 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 74 I 8.97 4.99 1.67 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 1.08 0.80 0.12 0.00 0.00 75 V 8.59 4.54 1.68 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 0.87 0.00 0.00 0.48 0.00 0.00 76 Y 8.71 5.30 0.00 2.96 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 77 E 9.82 5.21 0.00 2.01 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 2.26 2.43 0.00 78 G 8.37 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 8.52 4.42 4.26 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 1.24 0.00 0.00 80 D 9.15 4.51 0.00 2.99 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 A 8.37 3.75 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 I 7.71 3.55 1.96 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.93 0.94 0.00 0.00 83 S 7.93 4.12 0.00 3.89 3.86 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 0.00 0.00 0.00 84 K 8.23 4.01 0.00 1.93 2.02 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.78 1.85 7.81 85 I 7.60 3.49 1.64 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 -0.32 0.68 0.00 0.00 86 R 7.74 3.84 0.00 2.13 1.89 0.00 3.25 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.88 0.00 87 R 7.77 3.92 0.00 2.00 1.98 0.00 3.24 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 88 L 8.02 4.11 0.00 1.93 1.66 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 89 Q 8.27 3.88 0.00 2.09 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.80 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 90 G 8.37 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 N 8.11 5.01 0.00 2.89 2.88 0.00 0.00 5.74 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 I 8.27 4.10 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 1.39 0.57 0.89 0.00 0.00 93 L 8.00 4.36 0.00 1.85 1.74 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 94 T 7.67 4.42 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 95 P 0.00 4.50 0.00 2.03 1.98 0.00 3.64 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 96 G 9.92 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 0.00 0.00 0.00 97 T 7.48 4.44 4.52 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 1.24 0.00 0.00 98 I 8.73 3.66 1.86 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 1.51 1.22 0.91 0.00 0.00 99 R 8.15 4.07 0.00 1.96 1.97 0.00 3.34 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.73 0.00 100 G 7.78 4.16 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 0.00 101 D 8.23 4.61 0.00 2.71 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 0.00 102 L 7.93 4.66 0.00 1.67 1.65 0.91 0.58 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 0.00 103 A 7.98 4.85 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 0.00 104 N 8.47 5.03 0.00 2.59 2.69 0.00 0.00 6.71 8.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 D 7.82 4.82 0.00 2.52 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 0.00 106 I 8.32 3.75 1.73 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 1.22 0.59 0.84 0.00 0.00 107 R 7.88 4.06 0.00 1.58 1.83 0.00 3.17 0.00 0.00 3.09 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.45 0.00 108 E 7.94 3.77 0.00 1.76 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 0.00 1.47 1.79 0.00 109 N 7.94 4.98 0.00 2.88 3.08 0.00 0.00 6.20 6.67 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 0.00 110 L 9.34 4.22 0.00 1.96 1.90 0.96 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.00 0.00 111 I 8.36 5.17 1.90 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 1.13 0.91 0.92 0.00 0.00 112 H 9.40 5.13 0.00 3.43 3.14 0.00 5.77 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 A 8.40 5.19 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 S 8.55 4.47 0.00 3.83 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 0.00 115 D 8.78 4.77 0.00 2.76 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 S 7.45 4.62 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 0.00 117 E 8.75 4.00 0.00 2.05 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 0.00 2.42 2.42 0.00 118 D 8.00 4.35 0.00 2.70 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 0.00 119 S 8.16 4.13 0.00 4.12 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 A 8.10 4.03 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 0.00 121 V 7.66 3.57 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 1.01 0.00 0.00 0.99 0.00 0.00 122 D 8.00 4.36 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 0.00 123 E 8.73 4.16 0.00 2.24 2.25 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 2.31 2.42 0.00 124 I 8.37 4.09 2.04 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 1.65 0.87 1.04 0.00 0.00 125 S 8.20 4.24 0.00 4.16 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 0.00 126 I 7.54 3.51 1.80 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.48 -0.03 0.00 0.00 127 W 8.05 4.35 0.00 3.38 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 F 8.84 5.07 0.00 3.19 3.05 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 0.00 129 P 0.00 4.28 0.00 2.20 2.20 0.00 3.52 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.94 0.00 130 E 7.86 4.36 0.00 2.00 2.15 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 2.42 2.48 0.00 131 T 7.61 4.15 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 1.31 0.00 0.00