NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1463 8.0549 120.3155 61.6610 32.1827 174.2864 2 L 4.5726 8.2786 118.9336 50.6496 44.5246 175.2739 3 S 4.4597 9.4380 117.7105 57.8216 66.0626 174.7764 4 E 4.2141 8.8749 122.7078 59.6807 29.3532 179.1907 5 G 3.6892 8.1065 105.1498 47.7569 0.0000 175.4086 6 E 3.9168 8.2502 120.8687 59.0163 29.3728 179.4177 7 W 4.3677 8.2507 119.1480 59.9848 29.1343 178.4583 8 Q 4.1166 8.7658 118.4186 59.1579 28.1251 179.1512 9 L 4.1153 7.9621 119.9313 57.5658 41.6563 179.6136 10 V 3.7555 7.9955 118.3053 66.2576 31.5585 178.1990 11 L 4.2684 8.4940 118.6981 57.5811 41.2544 178.9950 12 H 4.1739 8.4093 118.6758 59.4770 29.9971 177.6720 13 V 3.5790 8.0804 113.7185 63.4445 31.4573 178.3819 14 W 3.8519 8.4103 128.4904 60.1791 30.2776 177.8014 15 A 4.0403 7.9734 120.0862 54.9178 17.8851 179.4576 16 K 3.9302 7.3697 116.9431 59.3755 31.9746 179.6639 17 V 2.8048 7.0278 118.4006 65.5811 31.0468 177.4728 18 E 3.9719 7.5022 115.7068 57.6724 29.4224 178.1325 19 A 4.2159 7.4169 120.5017 53.1685 19.9281 177.4471 20 D 4.6082 7.7322 114.6702 52.3344 43.4958 175.8465 21 V 3.4139 7.6892 123.3766 65.6157 32.0695 176.4919 22 A 4.0650 8.0855 120.1942 55.3907 18.1599 179.7630 23 G 3.5810 8.5351 105.5708 47.6360 0.0000 175.5764 24 H 4.1212 8.3042 118.8754 58.5687 28.6965 178.1066 25 G 3.6007 8.2555 107.5541 47.8406 0.0000 175.7375 26 Q 3.9695 8.2056 120.4913 58.8849 28.7322 178.6671 27 D 4.2921 8.2045 119.9288 57.2969 40.7625 178.9389 28 I 3.6229 8.0290 120.6834 64.7705 37.1077 178.2928 29 H 3.6885 8.1258 117.0010 58.5813 28.4500 177.9738 30 I 3.7413 7.8882 121.9370 64.2722 36.8387 178.4456 31 R 3.7928 8.0339 119.5846 59.2113 29.9199 178.1999 32 L 3.8844 8.0457 120.4790 58.4261 41.9583 179.1204 33 F 4.5927 8.2929 117.9440 60.2802 38.5340 178.0639 34 K 4.0090 7.8710 117.6542 59.7311 32.0194 179.3679 35 S 4.2719 8.0399 114.2132 60.4921 64.1415 174.5936 36 H 4.6568 8.0758 118.3386 52.3361 29.4950 172.0236 37 P 4.7479 0.0000 0.0000 64.2105 31.5697 177.5235 38 E 4.0971 8.1662 116.3867 59.5033 29.3916 179.0560 39 T 3.7830 7.8425 117.0597 66.4380 68.3916 176.1453 40 L 3.6195 7.9447 121.7417 57.8361 41.7682 178.7758 41 E 4.0128 7.8917 117.2235 58.6377 29.4361 178.4312 42 K 4.5178 7.8225 116.2440 56.5946 33.1497 176.7855 43 H 4.5952 7.9901 118.0959 53.4364 28.8225 174.1833 44 D 4.3033 8.3825 124.8942 56.5458 40.9335 177.8651 45 R 4.4242 7.4367 112.5670 55.9100 29.9334 176.4448 46 F 5.1282 7.6780 116.8248 57.6719 40.1804 177.6969 47 K 4.0086 7.9955 120.1770 59.2394 31.9673 177.4129 48 H 4.5201 8.2082 111.8487 56.2046 28.9135 176.0950 49 L 4.2267 7.3070 121.5605 54.1675 39.7406 176.5786 50 K 4.1739 8.9759 122.3167 57.7771 32.9146 177.4601 51 T 4.7354 7.4489 111.7462 59.1789 72.0348 173.8688 52 E 3.9767 8.6654 122.8658 59.4612 29.4979 179.5464 53 A 3.9970 7.9151 120.3446 55.0414 18.2754 179.3689 54 E 3.9231 8.0564 115.9379 59.8187 29.7698 178.9165 55 M 4.1511 8.1231 118.6761 58.4533 31.8082 179.0637 56 K 3.9825 8.0746 117.3506 59.0495 32.3079 178.7410 57 A 4.3959 7.8591 119.2841 52.5470 18.8280 177.8131 58 S 4.2329 7.4406 113.0016 57.6572 62.8634 174.1656 59 E 3.9691 8.7484 131.0119 58.9045 29.4794 177.9218 60 D 4.3961 8.1116 118.0353 57.3448 41.4372 177.8127 61 L 3.2119 7.7991 120.7396 57.7084 41.9470 178.8411 62 K 3.9278 8.0423 119.8808 59.2826 32.0736 178.9371 63 K 4.0234 8.4365 119.6052 60.2278 32.4247 178.5914 64 H 4.3365 8.3787 119.6368 59.0675 29.7325 177.5418 65 G 3.6225 8.2692 107.5706 47.7179 0.0000 175.8775 66 V 3.6094 7.8695 120.6849 66.0124 31.6600 178.1820 67 T 3.9015 8.2098 115.7169 66.7259 68.2747 176.4301 68 E 4.0017 8.2994 120.3046 59.6100 29.5436 179.5667 69 L 4.2144 8.2888 119.0358 57.7697 41.6298 179.7951 70 T 3.9437 8.3851 116.2467 66.6150 68.4861 176.4809 71 A 3.9980 7.9122 122.3789 55.1013 18.2989 179.4797 72 L 3.6822 8.1934 119.1228 57.9766 42.1139 179.4101 73 G 2.9850 8.4737 105.9839 47.5115 0.0000 175.5389 74 A 3.9662 7.7848 122.1861 54.8205 18.6168 179.5639 75 I 3.7524 7.4266 118.2473 64.5250 37.1532 178.6814 76 L 3.9663 7.7935 120.0740 57.6286 41.1949 179.5881 77 K 3.9509 7.7278 116.9248 58.4203 32.2719 178.6537 78 K 3.9553 7.8078 118.1181 55.8515 32.4355 176.6608 79 K 2.0000 8.3377 118.2003 56.4133 29.8093 175.9642 80 G 3.9316 7.9058 106.2616 45.6212 0.0000 174.0852 81 H 4.4106 7.2859 121.6613 55.1472 28.1779 174.1362 82 H 4.9443 7.4251 113.1336 54.6713 29.9680 175.7768 83 E 3.9084 8.5891 122.6404 60.2331 28.9526 178.7347 84 A 4.0516 8.0250 118.7183 54.4471 17.7902 178.2572 85 E 4.4786 7.9340 114.2116 56.6098 30.2730 177.9703 86 L 4.2537 8.3450 121.0247 57.3523 41.6094 179.0192 87 K 3.8910 8.0380 118.7028 59.4437 32.1213 177.5562 88 P 4.2925 0.0000 0.0000 65.1720 31.2120 178.5375 89 L 4.0385 7.5358 116.1437 58.2718 42.0189 178.9080 90 A 4.2804 8.5136 121.1447 55.1151 18.2759 179.2579 91 Q 3.9042 8.3491 118.4412 59.5577 29.0995 178.9485 92 S 4.0989 8.2392 115.1447 61.7729 63.1460 176.0807 93 H 4.1717 8.8068 119.8592 58.2245 28.2001 177.6789 94 A 3.3633 8.0822 122.6824 54.3508 18.4026 178.8722 95 T 4.3220 7.6138 105.6012 61.7374 69.9229 175.0468 96 K 4.3383 7.6480 117.9545 58.3865 34.0808 177.1706 97 H 4.3442 8.0996 114.0714 56.2507 29.4827 175.5109 98 K 3.5901 7.7797 117.4315 57.2203 28.5368 175.6116 99 I 4.2626 8.0258 118.5407 58.6850 38.4903 174.9824 100 P 4.5400 0.0000 0.0000 62.3403 32.0243 177.8534 101 I 3.6005 8.8634 122.4682 64.3877 36.7950 178.7747 102 K 3.9262 7.8511 121.3479 59.0781 31.8059 178.2630 103 Y 4.0893 7.9408 117.0741 60.8356 37.7618 178.1609 104 L 4.1290 7.9060 119.6781 57.6735 41.3703 179.2552 105 E 3.9909 8.1932 118.6443 59.4510 29.4503 179.0746 106 F 4.5685 7.9978 118.0439 61.0377 38.9296 177.5307 107 E 4.0814 8.7710 118.8470 59.2597 29.3281 178.9789 108 S 4.2227 8.3522 115.5154 61.5316 62.7651 176.4527 109 E 4.0385 8.5123 121.2667 59.3371 29.1431 179.2309 110 A 4.0069 8.1182 120.8506 55.0558 18.3531 179.6862 111 I 3.6443 7.9709 118.4494 64.7466 37.2634 178.6786 112 I 3.8149 8.0884 120.7167 64.5722 36.9062 177.7491 113 H 4.0834 8.5503 119.3157 59.6115 29.6660 177.4707 114 V 3.5221 8.0445 119.8984 65.8482 31.2705 177.8790 115 L 3.7827 8.0013 119.0086 57.9914 41.0776 179.0235 116 H 4.3575 8.0225 117.2486 59.2506 29.9169 177.1801 117 S 4.2413 7.9816 116.3978 61.3373 62.6735 176.2748 118 R 4.0879 7.8197 119.4956 57.4734 31.2159 177.0474 119 H 5.0078 8.0853 115.5253 54.1133 29.7655 173.8611 120 P 4.1055 0.0000 0.0000 65.9279 31.4162 178.7294 121 G 3.8411 8.0767 105.5233 47.1136 0.0000 173.2638 122 D 4.9810 8.5398 118.6535 53.7740 42.7585 176.5413 123 F 4.9752 8.0852 119.1498 56.1633 39.6047 173.6974 124 G 3.8741 7.6088 110.6255 43.6333 0.0000 171.7101 125 A 3.9106 8.3638 120.6872 55.3870 18.2004 179.6212 126 D 4.2131 7.9425 116.5817 57.3063 40.9041 178.7151 127 A 3.9750 7.7336 120.8449 55.1059 18.4083 179.4506 128 Q 3.4207 7.8787 117.0842 58.8599 28.7587 179.3773 129 G 3.5211 8.2704 106.7742 47.6309 0.0000 175.4683 130 A 3.8583 7.9792 123.2745 55.1368 18.4447 179.4507 131 M 4.0376 8.3172 116.8580 58.9407 32.3755 178.1792 132 N 4.5118 8.5160 116.9221 56.2069 38.6602 177.6304 133 K 4.3958 8.3169 121.1039 58.7914 32.1324 179.2747 134 A 3.8948 8.1159 121.3862 55.2401 18.2686 179.7687 135 L 4.1893 8.6300 118.0899 57.6751 41.5425 179.4820 136 E 3.9879 8.7918 118.3375 59.2895 29.4634 179.0914 137 L 3.9993 8.2329 121.3995 57.6706 42.0905 178.5612 138 F 4.1722 8.3848 120.6997 61.5658 39.2758 177.4020 139 R 3.3445 8.1397 117.6291 58.7564 29.7736 179.1317 140 K 3.8245 8.0297 118.2848 59.6785 32.2326 179.1190 141 D 4.2902 8.0092 118.8991 57.4335 40.7216 178.7997 142 I 3.5670 7.6701 118.9930 63.5755 37.8070 177.8211 143 A 3.5691 7.9421 122.0783 54.8158 18.1425 179.3587 144 A 3.9464 7.9158 119.3295 55.3061 18.4975 180.0872 145 K 4.1467 7.9416 116.7494 59.5739 31.8790 178.8954 146 Y 4.2744 8.2549 116.8143 61.4998 38.1460 178.9618 147 K 4.1582 8.2028 118.9639 59.4913 31.9134 179.3167 148 E 3.9822 8.0789 117.9797 58.8462 29.4262 178.4297 149 L 4.2996 7.5150 116.2688 53.8784 42.2112 177.4571 150 G 3.4433 7.2560 104.5644 45.2370 0.0000 169.2403 151 Y 3.6676 7.7375 121.8316 57.6220 37.7782 170.9452 152 Q 4.4157 8.7434 122.9622 54.2959 30.5256 176.2220 153 G 4.2493 8.7039 106.4951 46.3986 0.0000 173.4186 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 V 8.05 4.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.20 0.00 0.00 2 L 8.28 4.57 0.00 0.68 0.74 0.56 -0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.44 4.46 0.00 4.02 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 4 E 8.87 4.21 0.00 2.19 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 2.43 2.51 0.00 5 G 8.11 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 6 E 8.25 3.92 0.00 2.04 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 0.00 2.20 2.26 0.00 7 W 8.25 4.37 0.00 3.57 3.19 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 0.00 8 Q 8.77 4.12 0.00 2.30 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.77 0.00 9 L 7.96 4.12 0.00 1.90 1.78 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.00 3.76 2.51 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 1.20 0.00 0.00 0.98 0.00 0.00 11 L 8.49 4.27 0.00 1.84 1.80 0.93 1.32 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 12 H 8.41 4.17 0.00 3.41 3.56 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 13 V 8.08 3.58 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 1.25 0.00 0.00 0.93 0.00 0.00 14 W 8.41 3.85 0.00 3.61 3.14 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 15 A 7.97 4.04 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 16 K 7.37 3.93 0.00 1.63 1.53 0.00 1.63 0.00 0.00 1.48 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.41 7.81 17 V 7.03 2.80 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 0.00 0.00 0.07 0.00 0.00 0.13 0.00 0.00 18 E 7.50 3.97 0.00 2.05 1.93 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 2.33 2.31 0.00 19 A 7.42 4.22 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 20 D 7.73 4.61 0.00 2.65 2.52 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 0.00 21 V 7.69 3.41 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 1.05 0.00 0.00 0.84 0.00 0.00 22 A 8.09 4.06 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 23 G 8.54 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 24 H 8.30 4.12 0.00 3.15 3.21 0.00 5.63 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 25 G 8.26 3.60 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 0.00 0.00 0.00 26 Q 8.21 3.97 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.53 0.00 27 D 8.20 4.29 0.00 2.75 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 28 I 8.03 3.62 1.93 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 1.48 0.66 0.79 0.00 0.00 29 H 8.13 3.69 0.00 3.16 2.85 0.00 5.82 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.89 3.74 1.89 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 1.43 0.81 0.91 0.00 0.00 31 R 8.03 3.79 0.00 1.94 2.10 0.00 3.03 0.00 0.00 2.95 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 32 L 8.05 3.88 0.00 1.69 1.50 1.05 0.90 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 33 F 8.29 4.59 0.00 3.04 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 34 K 7.87 4.01 0.00 1.83 1.84 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.75 7.81 35 S 8.04 4.27 0.00 3.66 3.59 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 36 H 8.08 4.66 0.00 3.05 2.61 0.00 5.82 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 37 P 0.00 4.75 0.00 2.15 2.10 0.00 3.82 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.97 0.00 38 E 8.17 4.10 0.00 2.29 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 0.00 2.16 2.58 0.00 39 T 7.84 3.78 4.55 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 40 L 7.94 3.62 0.00 1.43 1.64 -0.13 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.89 4.01 0.00 2.11 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 2.36 2.49 0.00 42 K 7.82 4.52 0.00 1.95 1.88 0.00 1.88 0.00 0.00 1.77 0.00 0.00 3.13 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.75 1.98 7.81 43 H 7.99 4.60 0.00 3.30 2.88 0.00 5.82 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.38 4.30 0.00 2.54 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 45 R 7.44 4.42 0.00 1.87 1.94 0.00 2.63 0.00 0.00 3.34 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.05 0.00 46 F 7.68 5.13 0.00 2.91 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 47 K 8.00 4.01 0.00 1.74 1.86 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.48 7.81 48 H 8.21 4.52 0.00 3.28 3.40 0.00 5.52 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.31 4.23 0.00 1.87 1.64 0.78 0.93 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 50 K 8.98 4.17 0.00 1.90 1.86 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.62 1.52 7.81 51 T 7.45 4.74 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 1.34 0.00 0.00 52 E 8.67 3.98 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 2.41 2.38 0.00 53 A 7.92 4.00 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 54 E 8.06 3.92 0.00 2.08 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 2.31 2.40 0.00 55 M 8.12 4.15 0.00 2.07 2.27 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.59 0.00 56 K 8.07 3.98 0.00 1.83 1.85 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.56 7.81 57 A 7.86 4.40 1.36 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 0.00 0.00 58 S 7.44 4.23 0.00 3.81 3.81 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 59 E 8.75 3.97 0.00 2.13 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 2.39 2.43 0.00 60 D 8.11 4.40 0.00 2.91 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 61 L 7.80 3.21 0.00 0.96 1.49 0.78 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.04 3.93 0.00 1.83 1.90 0.00 1.68 0.00 0.00 1.82 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.43 7.81 63 K 8.44 4.02 0.00 2.06 2.10 0.00 1.45 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.73 1.67 7.81 64 H 8.38 4.34 0.00 3.59 3.63 0.00 5.78 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 65 G 8.27 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 0.00 0.00 0.00 66 V 7.87 3.61 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 1.13 0.00 0.00 0.93 0.00 0.00 67 T 8.21 3.90 4.48 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 68 E 8.30 4.00 0.00 2.15 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 2.39 0.00 69 L 8.29 4.21 0.00 1.87 1.92 0.98 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.39 3.94 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 1.25 0.00 0.00 71 A 7.91 4.00 1.38 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 72 L 8.19 3.68 0.00 1.54 1.70 0.16 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.47 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 0.00 0.00 0.00 74 A 7.78 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 75 I 7.43 3.75 1.79 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 1.51 0.54 0.87 0.00 0.00 76 L 7.79 3.97 0.00 1.36 1.60 -0.10 1.22 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 77 K 7.73 3.95 0.00 1.76 1.78 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.50 7.81 78 K 7.81 3.96 0.00 1.79 1.84 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.61 7.81 79 K 8.34 2.00 0.00 1.15 0.74 0.00 1.34 0.00 0.00 1.55 0.00 0.00 2.71 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.51 1.03 7.81 80 G 7.91 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 81 H 7.29 4.41 0.00 3.05 3.15 0.00 5.70 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.43 4.94 0.00 3.30 3.39 0.00 5.55 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.59 3.91 0.00 2.04 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 2.39 2.41 0.00 84 A 8.03 4.05 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 85 E 7.93 4.48 0.00 1.99 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 2.32 0.00 86 L 8.35 4.25 0.00 1.94 1.72 1.05 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.04 3.89 0.00 1.97 1.90 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.52 7.81 88 P 0.00 4.29 0.00 2.20 2.13 0.00 3.77 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.16 0.00 89 L 7.54 4.04 0.00 1.83 1.91 0.99 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.51 4.28 1.53 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 0.00 0.00 91 Q 8.35 3.90 0.00 2.26 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 92 S 8.24 4.10 0.00 4.03 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 93 H 8.81 4.17 0.00 3.61 3.68 0.00 5.81 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 94 A 8.08 3.36 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.61 4.32 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 96 K 7.65 4.34 0.00 1.61 1.72 0.00 1.58 0.00 0.00 1.61 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.27 1.41 7.81 97 H 8.10 4.34 0.00 3.07 3.29 0.00 5.81 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 98 K 7.78 3.59 0.00 1.85 1.76 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.33 7.81 99 I 8.03 4.26 2.11 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 1.41 1.05 1.13 0.00 0.00 100 P 0.00 4.54 0.00 1.68 1.76 0.00 2.50 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 1.32 1.80 0.00 101 I 8.86 3.60 1.76 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.69 0.73 0.00 0.00 102 K 7.85 3.93 0.00 1.68 1.68 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.19 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.63 0.99 7.81 103 Y 7.94 4.09 0.00 3.24 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 0.00 104 L 7.91 4.13 0.00 1.94 1.74 1.08 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.19 3.99 0.00 2.01 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 2.30 2.45 0.00 106 F 8.00 4.57 0.00 3.16 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 0.00 107 E 8.77 4.08 0.00 2.15 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 2.37 2.37 0.00 108 S 8.35 4.22 0.00 4.18 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 0.00 109 E 8.51 4.04 0.00 2.24 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 2.45 2.69 0.00 110 A 8.12 4.01 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 0.00 111 I 7.97 3.64 2.11 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 1.59 0.78 1.04 0.00 0.00 112 I 8.09 3.81 2.01 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.81 1.16 0.00 0.00 113 H 8.55 4.08 0.00 3.30 3.52 0.00 5.59 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.04 3.52 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 0.86 0.00 0.00 0.97 0.00 0.00 115 L 8.00 3.78 0.00 1.39 0.26 0.75 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 116 H 8.02 4.36 0.00 3.58 3.48 0.00 5.76 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.98 4.24 0.00 3.92 3.83 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 0.00 0.00 0.00 118 R 7.82 4.09 0.00 1.57 1.50 0.00 2.59 0.00 0.00 2.96 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.57 0.00 119 H 8.09 5.01 0.00 3.22 3.23 0.00 5.63 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.11 0.00 2.20 2.36 0.00 3.76 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.96 0.00 121 G 8.08 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 0.00 122 D 8.54 4.98 0.00 2.63 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 F 8.09 4.98 0.00 2.93 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 0.00 124 G 7.61 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 8.36 3.91 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 D 7.94 4.21 0.00 2.68 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 0.00 127 A 7.73 3.98 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 0.00 128 Q 7.88 3.42 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 1.24 1.60 0.00 129 G 8.27 3.52 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 0.00 0.00 0.00 0.00 130 A 7.98 3.86 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 0.00 131 M 8.32 4.04 0.00 2.45 2.42 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.90 0.00 132 N 8.52 4.51 0.00 2.96 2.86 0.00 0.00 7.05 8.54 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 0.00 133 K 8.32 4.40 0.00 1.80 1.69 0.00 1.55 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.32 7.81 134 A 8.12 3.89 1.28 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 0.00 0.00 135 L 8.63 4.19 0.00 1.73 1.85 1.03 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.79 3.99 0.00 2.15 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 0.00 2.53 2.32 0.00 137 L 8.23 4.00 0.00 1.93 2.01 0.99 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.38 4.17 0.00 3.15 3.33 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 0.00 139 R 8.14 3.34 0.00 1.81 1.79 0.00 3.15 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 2.04 0.00 140 K 8.03 3.82 0.00 1.96 1.82 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.69 7.81 141 D 8.01 4.29 0.00 2.80 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 0.00 142 I 7.67 3.57 1.36 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 1.25 1.43 0.31 0.00 0.00 143 A 7.94 3.57 1.20 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 0.00 0.00 0.00 144 A 7.92 3.95 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 0.00 145 K 7.94 4.15 0.00 2.01 1.92 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.68 7.81 146 Y 8.25 4.27 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 0.00 147 K 8.20 4.16 0.00 2.00 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.67 7.81 148 E 8.08 3.98 0.00 2.10 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 2.34 2.59 0.00 149 L 7.52 4.30 0.00 1.74 1.63 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.26 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 0.00 0.00 0.00 151 Y 7.74 3.67 0.00 3.08 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 0.00 152 Q 8.74 4.42 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.90 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 153 G 8.70 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 0.00 0.00 0.00 0.00