NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 4.5821 8.3033 117.8455 55.5667 29.9782 174.5931 *2 R 4.5194 8.8636 124.4242 56.4256 32.4199 175.3745 3 K 4.2653 8.7741 123.9588 56.4546 33.5223 175.3128 4 A 5.5743 9.0017 127.9150 50.1585 22.7529 174.7823 5 W 5.1622 8.3210 114.5183 54.7738 32.2488 174.6615 6 V 3.6687 8.3564 121.4889 62.8705 30.7102 175.6214 7 K 4.1900 8.4622 131.1273 59.4877 32.5784 176.8581 8 T 4.5313 7.2910 111.6577 60.8643 70.8230 171.5664 9 L 5.1130 8.4326 128.0187 53.2668 44.5242 175.1445 10 A 4.7390 8.6523 126.4404 50.3104 23.5653 174.6050 11 L 4.4590 8.3832 119.4396 53.9942 42.6092 176.5619 12 D 4.3379 9.4158 124.3257 54.7043 41.9914 177.7945 13 R 4.3000 8.7680 121.8228 57.0651 29.8019 176.5795 14 V 4.2445 8.1986 116.9632 64.6459 32.7699 177.0377 15 S 4.3204 8.3959 112.0221 58.5846 63.5432 173.4952 16 N 4.8531 8.2666 118.5863 54.7817 36.7760 173.7139 17 T 4.8664 7.2758 105.1523 58.9593 73.0413 171.8088 18 P 4.9965 0.0000 0.0000 62.8338 32.8511 175.6908 19 V 4.4416 9.0825 123.2257 59.7326 34.9123 174.4602 20 V 4.3365 8.6171 124.7906 61.6147 33.0146 174.5946 21 I 4.2755 8.3641 130.2194 60.1665 38.4567 174.8303 22 L 4.4211 8.4379 128.4806 53.2730 43.5247 176.4321 23 G 2.8037 7.4409 111.1572 44.8490 0.0000 172.8289 24 I 4.4699 7.9153 124.2685 59.0805 38.5350 175.5063 25 E 4.3360 9.1100 127.8712 58.0091 29.8200 178.1644 26 G 3.9926 9.6146 109.9028 45.8232 0.0000 172.5980 27 T 4.7479 7.6375 107.7844 60.5200 72.1211 172.8051 28 N 4.9920 8.6367 115.4788 53.5012 39.8342 175.0407 29 R 5.0891 8.1716 118.1059 55.0236 32.9130 175.9088 30 V 4.6850 9.0156 114.0313 59.5266 36.6650 174.5609 31 L 4.9558 8.7840 125.6884 52.5193 44.0149 173.5631 32 P 4.5631 0.0000 0.0000 62.4783 32.5495 175.7467 33 I 4.6738 8.4513 124.2366 59.1887 40.4189 174.6147 34 W 4.8075 9.3922 127.7208 56.2123 29.9298 175.5998 35 I 4.7748 8.5470 117.0752 58.7802 40.8652 175.0223 36 G 4.3754 8.8406 110.3710 44.1743 0.0000 174.8041 37 A 3.9757 8.6393 120.6799 55.5293 18.4355 179.7608 38 C 4.0929 8.0768 114.5972 63.0985 28.2120 176.2049 39 E 4.1238 8.2316 119.8464 59.2000 29.0518 179.4093 40 G 3.5830 8.4575 106.2344 48.0034 0.0000 175.1583 41 H 4.1363 8.4847 120.7362 59.0008 29.9180 177.1883 42 A 3.9575 7.9668 122.3802 55.0789 17.9700 179.4202 43 L 3.8583 8.0382 118.0061 57.8971 42.2141 178.6098 44 A 4.1271 8.0382 120.2931 55.3166 18.4434 179.1465 45 L 4.1660 7.7490 115.6465 57.8453 42.0015 180.2453 46 A 4.1965 7.7935 118.7145 52.6072 18.1417 178.8780 *48 E 4.1190 8.1712 120.9805 55.9764 31.5801 173.2827 49 K 3.5419 7.8861 126.4618 56.3730 32.6785 175.2643 *51 E 4.0449 8.5828 117.7224 55.6311 31.0511 172.0690 52 F 5.0909 8.2339 121.7060 53.8867 42.5121 174.5883 53 P 4.3444 0.0000 0.0000 64.7082 31.4838 177.0132 54 R 4.7152 7.1356 113.1248 53.0367 32.4834 173.9558 55 P 4.2948 0.0000 0.0000 62.8582 31.8909 177.1597 56 L 4.3506 8.4895 123.5521 53.7658 44.3545 177.9199 57 T 3.8593 8.2217 115.3722 67.4623 68.2821 176.6678 58 H 4.2527 8.1183 117.6150 58.6756 28.7559 177.3422 59 D 4.4129 8.1300 120.4771 57.2322 40.6874 178.3823 60 L 3.9251 7.9468 120.8481 58.0017 42.1107 178.7626 61 L 3.9602 7.9719 120.2852 58.2753 42.0253 179.0414 62 L 4.0856 8.0105 118.8655 57.8057 41.5140 179.6536 63 S 4.1738 8.3582 115.5015 61.1825 62.6737 176.8218 64 V 3.5846 7.9480 121.2891 65.8170 31.2790 177.8341 65 L 3.9315 7.9051 118.7138 57.8981 41.5553 179.0483 66 E 3.9085 8.2622 118.8728 59.6778 29.3813 178.8454 67 S 4.1869 7.9292 113.5525 61.3332 62.9226 175.8771 68 L 4.4163 7.5193 118.5494 53.4224 42.9725 176.3500 69 E 3.6851 8.4296 117.4474 56.6349 26.7582 173.2963 70 A 5.0809 7.8725 119.3445 50.9662 23.2314 175.8353 71 R 4.8023 8.6667 115.4510 54.0958 33.6451 174.5895 72 V 3.8710 8.4149 120.4212 63.6071 31.5511 174.7717 73 D 4.7934 9.0269 128.4679 55.4951 42.4213 175.8376 74 K 4.5457 7.4168 114.9999 56.7530 35.6457 173.4972 75 V 4.9629 8.3710 119.2516 61.3736 35.4315 173.8089 76 I 5.1832 8.7974 127.3118 59.7202 40.8258 174.4250 77 I 4.6660 9.0905 129.4573 60.6824 37.5220 175.8179 78 H 4.9895 9.1379 123.0105 55.9606 30.8625 174.0710 79 S 4.8933 7.9024 112.9364 56.8562 67.8710 172.6458 80 L 5.1079 8.3958 122.3275 53.3211 44.9785 175.6956 81 K 4.3255 9.3631 126.8643 56.1160 35.4254 175.5410 82 D 4.1646 9.7392 126.7357 55.7921 37.9982 173.7256 83 N 4.1285 7.8970 110.9258 53.7438 37.1788 174.6262 84 T 4.4658 7.9382 116.6227 61.5330 70.4629 173.3687 85 F 5.0552 8.5976 125.3829 57.3300 40.2054 174.5310 86 Y 4.7453 9.3497 120.5093 56.2091 40.6602 174.7277 87 A 5.4443 8.7789 123.6897 50.4846 23.6636 174.6788 88 T 4.9725 9.1475 115.4638 61.7521 72.0264 173.3079 89 L 4.7144 9.4704 130.0469 54.0558 43.6356 175.1838 90 V 4.7669 8.7076 127.5287 61.6111 33.3440 174.3963 91 I 4.9075 8.7647 129.1668 59.5811 40.0170 174.4416 92 R 4.9413 9.0821 126.9842 54.4807 32.1546 174.3452 93 D 4.7611 8.8155 127.4034 54.1761 41.3874 175.7458 94 L 4.5658 9.0353 126.3689 55.4227 41.7460 177.8829 95 T 3.9914 9.2779 110.1876 62.9699 69.8663 175.0650 *104 A 4.0787 7.6155 124.4318 52.3312 19.1434 175.3418 105 A 4.6391 7.5883 120.3933 51.5434 20.5167 177.7124 106 L 5.0125 7.8771 117.9009 55.1040 43.7994 176.2849 107 I 4.5386 8.8317 122.9886 59.6486 40.3878 174.2101 108 D 5.1007 8.8073 127.3208 53.4180 41.9589 175.8940 109 I 4.5543 8.7300 124.9164 58.9464 40.2905 174.6992 110 D 4.9197 8.9711 126.8383 55.2778 41.7864 175.3465 111 S 4.7981 9.1752 118.9062 56.5910 66.7684 173.4624 112 R 4.3954 8.4863 122.4771 55.1554 31.0489 176.0729 113 P 4.2523 0.0000 0.0000 65.7469 31.2528 178.8009 114 S 4.0736 8.1553 112.4754 62.0498 62.5846 176.3334 115 D 4.3611 8.0616 122.4140 56.4794 40.6962 178.6357 116 A 4.0088 7.9988 121.2486 55.2571 18.3180 179.8056 117 I 3.6865 8.3884 118.6864 64.3419 37.0356 178.7805 118 I 3.6307 7.8601 120.8127 64.4703 37.0849 178.5587 119 L 4.0041 8.1726 119.6079 57.3467 41.3247 179.4935 120 A 3.9509 8.0532 120.9685 55.1801 18.1792 179.6169 121 V 3.5350 7.7232 115.5315 66.3536 31.6136 178.1070 122 K 4.1441 8.1238 117.1874 59.1947 31.9889 178.7700 123 T 4.3191 7.8478 107.9569 61.6437 69.4210 176.0700 124 G 3.8686 8.4353 109.3973 44.9112 0.0000 173.3678 125 A 4.3235 7.5193 121.4652 50.8975 19.1838 176.3405 126 P 4.2660 0.0000 0.0000 62.9861 33.0639 175.0414 127 I 4.7419 7.9935 122.5275 59.9672 39.2808 174.4592 128 F 5.3184 9.4624 125.6938 55.5975 42.1671 174.4793 129 V 5.0670 8.8578 122.7650 60.8893 33.7775 175.5977 130 S 4.5810 8.8313 122.2751 58.2470 64.0379 175.1318 131 D 4.4443 8.8246 121.6409 57.3682 40.3906 178.8315 132 N 4.2742 8.1679 117.2449 56.7480 39.0895 176.5607 133 L 4.1841 7.7031 120.3281 57.9673 41.6358 179.8655 134 V 3.6112 7.8957 117.9516 66.1374 31.3096 177.9560 135 E 3.9853 8.6094 117.3608 59.0543 29.3776 178.7934 136 K 4.2783 8.2744 117.0727 57.4523 32.8272 177.0865 137 H 4.9650 8.6136 113.3600 55.0009 30.7965 173.7761 138 S 4.8168 7.7256 114.6601 57.7738 64.4100 173.5828 139 I 4.6657 8.8537 113.6894 59.0403 40.8318 173.9623 140 E 4.7876 8.7597 125.8334 55.3212 30.1652 175.3925 141 L 4.6457 8.6473 128.0312 54.2336 42.9556 176.9088 142 E 4.4808 8.9628 122.3026 55.2761 31.0715 178.0069 143 V 3.6590 8.3588 114.1571 64.7753 31.3640 178.3563 144 N 4.2961 8.1494 116.2175 56.8705 38.6814 176.6297 145 E 4.0538 8.1245 119.3980 59.1986 29.5963 179.3422 146 R 3.9550 8.0491 118.4176 59.1890 29.8936 178.6150 147 D 4.3636 8.2365 118.1953 57.3857 40.9002 178.3722 148 L 4.1397 7.4598 118.1918 58.1345 41.7297 179.4978 149 I 3.8756 7.3567 118.2293 64.2322 37.1309 176.4865 150 N 4.6435 8.1847 120.8316 53.5587 38.5154 174.7611 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 0 H 8.30 4.58 0.00 3.17 2.94 0.00 5.62 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 R 8.86 4.52 0.00 1.85 1.98 0.00 3.35 0.00 0.00 3.42 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.65 0.00 3 K 8.77 4.27 0.00 1.90 1.68 0.00 1.60 0.00 0.00 1.92 0.00 0.00 2.74 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 0.85 7.81 4 A 9.00 5.57 1.09 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 5 W 8.32 5.16 0.00 3.35 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 6 V 8.36 3.67 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 0.66 0.00 0.00 0.88 0.00 0.00 7 K 8.46 4.19 0.00 1.16 1.67 0.00 1.58 0.00 0.00 1.53 0.00 0.00 2.96 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.40 1.48 7.81 8 T 7.29 4.53 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 1.10 0.00 0.00 9 L 8.43 5.11 0.00 1.56 1.45 0.86 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.65 4.74 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.38 4.46 0.00 1.56 1.66 0.94 1.02 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 9.42 4.34 0.00 3.03 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 13 R 8.77 4.30 0.00 1.85 1.96 0.00 3.27 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 14 V 8.20 4.24 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 0.83 0.00 0.00 0.96 0.00 0.00 15 S 8.40 4.32 0.00 4.06 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 16 N 8.27 4.85 0.00 2.81 2.91 0.00 0.00 6.71 7.33 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 17 T 7.28 4.87 4.33 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 1.31 0.00 0.00 18 P 0.00 5.00 0.00 2.10 2.00 0.00 3.75 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 2.35 2.10 0.00 19 V 9.08 4.44 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 0.57 0.00 0.00 -0.19 0.00 0.00 20 V 8.62 4.34 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 0.67 0.00 0.00 0.81 0.00 0.00 21 I 8.36 4.28 1.67 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.70 0.71 0.00 0.00 22 L 8.44 4.42 0.00 1.41 1.26 0.71 0.65 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 23 G 7.44 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 0.00 0.00 0.00 24 I 7.92 4.47 1.89 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.23 0.96 0.00 0.00 25 E 9.11 4.34 0.00 2.17 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 2.20 2.72 0.00 26 G 9.61 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 0.00 0.00 0.00 27 T 7.64 4.75 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 1.32 0.00 0.00 28 N 8.64 4.99 0.00 2.69 2.87 0.00 0.00 6.72 7.66 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 29 R 8.17 5.09 0.00 1.77 1.82 0.00 3.09 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 30 V 9.02 4.69 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.84 0.00 0.00 31 L 8.78 4.96 0.00 1.56 1.31 1.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.56 0.00 1.31 1.70 0.00 3.79 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 2.14 2.03 0.00 33 I 8.45 4.67 1.66 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.28 0.96 0.00 0.00 34 W 9.39 4.81 0.00 3.36 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 35 I 8.55 4.77 1.89 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 1.13 0.67 0.91 0.00 0.00 36 G 8.84 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.64 3.98 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 38 C 8.08 4.09 0.00 2.99 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.23 4.12 0.00 2.20 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 2.41 2.46 0.00 40 G 8.46 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 41 H 8.48 4.14 0.00 3.26 3.49 0.00 5.79 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 42 A 7.97 3.96 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.04 3.86 0.00 1.64 1.82 0.87 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.04 4.13 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 45 L 7.75 4.17 0.00 1.82 1.95 0.81 0.92 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 46 A 7.79 4.20 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 *48 E 8.17 4.12 0.00 2.17 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 2.38 2.28 0.00 49 K 7.89 3.54 0.00 1.88 1.79 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.35 7.81 *51 E 8.58 4.04 0.00 2.01 1.80 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 2.13 1.91 0.00 52 F 8.23 5.09 0.00 3.08 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 53 P 0.00 4.34 0.00 2.10 2.16 0.00 3.87 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 2.11 2.16 0.00 54 R 7.14 4.72 0.00 1.82 1.81 0.00 3.35 0.00 0.00 3.29 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 55 P 0.00 4.29 0.00 2.18 2.09 0.00 3.76 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 56 L 8.49 4.35 0.00 1.72 1.58 0.54 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.22 3.86 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 1.12 0.00 0.00 58 H 8.12 4.25 0.00 3.26 3.38 0.00 5.82 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 59 D 8.13 4.41 0.00 2.94 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 60 L 7.95 3.93 0.00 1.76 1.85 0.92 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.97 3.96 0.00 1.90 1.86 0.92 0.51 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 62 L 8.01 4.09 0.00 1.89 1.72 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 63 S 8.36 4.17 0.00 3.86 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 64 V 7.95 3.58 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 1.04 0.00 0.00 0.99 0.00 0.00 65 L 7.91 3.93 0.00 1.97 1.93 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.26 3.91 0.00 2.13 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 2.32 2.37 0.00 67 S 7.93 4.19 0.00 4.06 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 68 L 7.52 4.42 0.00 1.80 1.69 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.43 3.69 0.00 2.18 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 2.23 2.39 0.00 70 A 7.87 5.08 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 71 R 8.67 4.80 0.00 1.84 1.98 0.00 2.79 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 72 V 8.41 3.87 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 0.79 0.00 0.00 0.95 0.00 0.00 73 D 9.03 4.79 0.00 2.71 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 74 K 7.42 4.55 0.00 2.26 2.05 0.00 1.49 0.00 0.00 1.75 0.00 0.00 2.65 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.35 1.43 7.81 75 V 8.37 4.96 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.01 0.00 0.00 76 I 8.80 5.18 1.99 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 1.39 0.63 1.03 0.00 0.00 77 I 9.09 4.67 1.82 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.58 0.80 0.00 0.00 78 H 9.14 4.99 0.00 3.15 3.46 0.00 5.72 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 S 7.90 4.89 0.00 3.73 3.71 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 80 L 8.40 5.11 0.00 1.27 1.35 0.22 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 81 K 9.36 4.33 0.00 1.68 1.79 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.84 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.34 1.45 7.81 82 D 9.74 4.16 0.00 2.79 2.62 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 83 N 7.90 4.13 0.00 2.81 2.86 0.00 0.00 7.07 7.54 0.00 0.00 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 T 7.94 4.47 4.41 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 0.82 0.00 0.00 85 F 8.60 5.06 0.00 2.95 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 86 Y 9.35 4.75 0.00 2.81 2.86 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 87 A 8.78 5.44 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 88 T 9.15 4.97 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 1.25 0.00 0.00 89 L 9.47 4.71 0.00 1.75 1.72 0.96 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 90 V 8.71 4.77 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 0.99 0.00 0.00 1.03 0.00 0.00 91 I 8.76 4.91 1.89 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 1.14 0.74 0.93 0.00 0.00 92 R 9.08 4.94 0.00 1.98 1.78 0.00 3.10 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 93 D 8.82 4.76 0.00 2.74 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 94 L 9.04 4.57 0.00 1.61 1.69 0.93 0.81 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 95 T 9.28 3.99 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 *104 A 7.62 4.08 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 0.00 105 A 7.59 4.64 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 0.00 106 L 7.88 5.01 0.00 1.54 1.60 0.92 0.87 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 0.00 107 I 8.83 4.54 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.88 0.92 0.00 0.00 108 D 8.81 5.10 0.00 2.57 2.62 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 0.00 109 I 8.73 4.55 1.98 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 1.13 1.23 0.94 0.00 0.00 110 D 8.97 4.92 0.00 2.74 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 0.00 0.00 0.00 0.00 111 S 9.18 4.80 0.00 3.91 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 0.00 112 R 8.49 4.40 0.00 1.91 1.81 0.00 3.17 0.00 0.00 3.31 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 113 P 0.00 4.25 0.00 2.14 2.04 0.00 3.62 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.22 0.00 114 S 8.16 4.07 0.00 4.04 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 0.00 115 D 8.06 4.36 0.00 2.74 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 0.00 116 A 8.00 4.01 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 0.00 117 I 8.39 3.69 1.88 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.72 0.84 0.00 0.00 118 I 7.86 3.63 1.84 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.61 0.60 0.00 0.00 119 L 8.17 4.00 0.00 1.71 1.74 0.96 0.99 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 0.00 120 A 8.05 3.95 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 V 7.72 3.54 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 0.86 0.00 0.00 0.98 0.00 0.00 122 K 8.12 4.14 0.00 1.77 1.87 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.14 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.59 7.81 123 T 7.85 4.32 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 0.00 124 G 8.44 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 7.52 4.32 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 0.00 126 P 0.00 4.27 0.00 1.65 2.09 0.00 3.92 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 2.29 2.17 0.00 127 I 7.99 4.74 1.93 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.76 0.84 0.00 0.00 128 F 9.46 5.32 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 0.00 129 V 8.86 5.07 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 0.86 0.00 0.00 0.87 0.00 0.00 130 S 8.83 4.58 0.00 4.03 4.07 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 0.00 131 D 8.82 4.44 0.00 2.86 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 0.00 132 N 8.17 4.27 0.00 2.87 2.87 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 0.00 133 L 7.70 4.18 0.00 1.96 1.86 1.19 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 134 V 7.90 3.61 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 1.06 0.00 0.00 1.02 0.00 0.00 135 E 8.61 3.99 0.00 2.16 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 2.36 2.48 0.00 136 K 8.27 4.28 0.00 1.74 1.52 0.00 1.65 0.00 0.00 1.67 0.00 0.00 3.15 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.45 7.81 137 H 8.61 4.97 0.00 3.38 3.49 0.00 5.65 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 S 7.73 4.82 0.00 3.94 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 0.00 139 I 8.85 4.67 1.89 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 1.29 0.93 0.96 0.00 0.00 140 E 8.76 4.79 0.00 2.01 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 2.26 2.35 0.00 141 L 8.65 4.65 0.00 1.57 1.58 0.90 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 142 E 8.96 4.48 0.00 2.02 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 143 V 8.36 3.66 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 0.83 0.00 0.00 0.94 0.00 0.00 144 N 8.15 4.30 0.00 2.79 2.82 0.00 0.00 7.23 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 0.00 145 E 8.12 4.05 0.00 2.24 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 2.41 2.40 0.00 146 R 8.05 3.96 0.00 1.96 1.99 0.00 3.16 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.94 0.00 147 D 8.24 4.36 0.00 2.77 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 0.00 148 L 7.46 4.14 0.00 1.76 1.75 0.93 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 149 I 7.36 3.88 2.03 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 1.50 0.58 0.88 0.00 0.00 150 N 8.18 4.64 0.00 2.87 2.74 0.00 0.00 6.91 7.08 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 * Residues marked with a * may have inaccurate shift predictions.