NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4477 8.3044 118.1950 55.1075 32.5590 174.2342 1 V 4.2374 7.9336 118.4995 60.6603 34.2722 173.5695 2 L 4.3723 8.3131 127.4465 53.8007 43.7049 176.8683 3 S 4.5023 8.6666 117.2988 57.8017 65.2214 175.1356 4 E 4.2618 8.8438 122.7534 59.5794 29.4377 179.1830 5 G 3.6139 8.0987 105.3069 47.6146 0.0000 175.4976 6 E 3.8930 7.8872 120.7314 59.1621 29.4218 179.3987 7 W 4.3576 8.1574 118.9865 59.9763 29.0277 178.6447 8 Q 4.1186 8.6118 118.2738 58.8311 27.9887 178.7180 9 L 4.0393 7.8882 119.6705 57.7414 41.6925 179.7372 10 V 3.7120 7.8448 118.0459 66.2437 31.6001 178.0975 11 L 4.3294 8.4798 118.5092 57.4132 40.9972 178.9674 12 H 4.2580 8.6180 119.2704 59.2240 29.8537 177.6687 13 V 3.4099 7.8785 120.8770 64.3533 31.2925 178.1675 14 W 4.0150 8.5591 128.9458 60.1364 30.2652 177.7502 15 A 3.9775 7.9181 120.2285 54.9369 18.0187 179.5028 16 K 3.9514 7.3617 116.8476 59.3583 32.0946 179.4481 17 V 2.8383 7.1573 118.5288 65.9861 31.0134 177.6578 18 E 3.8813 7.6169 115.3153 57.9115 29.3286 178.4901 19 A 4.1978 7.4956 120.6677 53.7284 19.8630 177.6299 20 D 4.6584 7.9687 116.8284 52.1227 42.5738 175.5635 21 V 3.4509 7.8808 123.1615 65.6124 32.1246 176.8033 22 A 4.0541 7.9758 120.2142 55.0107 18.2954 179.6813 23 G 3.6360 8.2070 105.5849 47.8321 0.0000 175.7276 24 H 4.1855 8.2358 119.0538 58.2380 28.6457 178.1830 25 G 3.5430 8.2502 107.7609 47.7152 0.0000 175.5128 26 Q 3.8465 7.9749 122.2058 58.9998 29.1401 177.9810 27 D 4.2820 8.0324 119.8034 57.4771 40.7850 179.0608 28 I 3.6677 7.8757 120.2381 64.3487 37.0853 178.5623 29 L 3.4751 7.7257 119.7923 57.6114 41.2794 179.6431 30 I 3.6442 7.7088 119.9012 64.2699 36.9962 178.4774 31 R 3.7816 7.9589 119.5946 59.0633 29.8151 178.2381 32 L 3.8721 7.8131 120.2115 58.4126 41.9092 179.1655 33 F 4.5319 7.8185 117.6038 60.3742 38.5252 178.0110 34 K 4.0182 8.2177 118.0244 59.6353 31.9675 179.3269 35 S 4.2626 7.8236 114.2578 60.4981 64.3029 174.6834 36 H 4.7062 8.2201 118.2165 52.0449 29.7459 171.8169 37 P 4.5618 0.0000 0.0000 64.6315 31.3829 177.6226 38 E 4.1055 8.2541 116.2286 59.5176 29.4416 179.1424 39 T 3.8673 8.0887 110.7358 64.3134 68.8104 176.3176 40 L 3.7751 7.9644 123.0620 57.9248 41.7737 178.5352 41 E 4.1323 7.9221 117.2959 58.4818 29.4416 178.4945 42 K 4.4833 8.0912 117.0761 56.6181 33.0835 177.4921 43 F 4.5646 8.1146 119.4482 55.6024 39.0268 175.5987 44 D 4.4140 8.4570 124.2482 57.1765 40.8246 178.2053 45 R 3.8837 7.7655 117.9227 58.1618 30.3966 176.6384 46 F 5.0939 7.8912 115.1182 56.8108 40.8377 176.8862 47 K 3.8497 8.3725 121.6483 59.5097 31.8686 176.9824 48 H 4.5077 8.1274 112.2138 56.8149 29.1843 175.4412 49 L 4.1694 7.5636 121.5794 54.7295 41.7294 176.8551 50 K 4.3714 9.4202 123.3292 57.2139 33.6452 177.0498 51 T 4.7374 7.3043 107.6580 58.8202 73.1867 174.2033 52 E 3.9145 8.6910 121.5218 59.4196 29.6532 178.8307 53 A 3.9638 7.9450 120.4106 55.1245 18.2328 179.3280 54 E 3.9407 7.9379 116.3856 59.6965 29.8786 179.0884 55 M 4.1355 8.0827 118.7664 58.4190 31.8247 179.0170 56 K 4.0957 8.1789 117.4181 58.9002 32.2820 178.3979 57 A 4.4653 7.4500 118.2009 51.4888 19.3967 177.0740 58 S 4.2706 7.4128 113.5465 57.5932 62.7783 174.7860 59 E 4.0580 8.8366 128.4072 59.3421 29.2727 178.7121 60 D 4.4331 8.1197 117.9862 57.1409 41.3601 177.8683 61 L 3.4196 8.0223 121.0299 57.7692 42.0764 178.8645 62 K 3.8895 7.9223 119.3090 59.3962 32.1261 178.9588 63 K 4.0312 8.3135 118.9428 59.7336 31.9429 178.8308 64 H 4.4207 8.6501 118.7475 59.1341 29.8273 177.4064 65 G 3.6456 8.3189 107.7925 47.9165 0.0000 175.8182 66 V 3.6393 7.7154 120.0144 65.9155 31.5402 178.2267 67 T 3.8704 7.9656 115.5543 66.5958 68.2894 176.6343 68 V 3.5994 7.8326 120.0039 66.2612 31.5861 178.1678 69 L 4.2442 8.0956 118.5385 57.9151 41.4622 179.6236 70 T 3.9889 8.3413 115.9874 66.5478 68.4350 176.5707 71 A 4.0109 8.1116 122.7747 55.0051 18.3306 179.4704 72 L 3.7707 8.2278 119.1329 58.1821 42.1860 179.4323 73 G 3.3677 8.6829 105.9189 47.6730 0.0000 175.5485 74 A 4.0384 7.7717 122.1977 54.8240 18.6401 179.6160 75 I 3.7967 7.5286 117.9410 64.5964 37.2601 178.6570 76 L 3.9765 7.8512 120.0537 57.6285 41.1676 179.5196 77 K 4.0211 7.7088 116.8309 58.2712 32.2649 178.6907 78 K 3.9764 7.8233 118.4007 56.0659 32.3982 176.7086 79 K 2.0000 8.2164 118.1249 56.6460 29.9164 175.6450 80 G 4.0494 7.9781 105.9118 45.9592 0.0000 174.4634 81 H 4.5793 7.4859 119.3995 55.2540 27.4906 174.8434 82 H 5.1833 7.3348 111.2440 54.1501 29.7375 175.8961 83 E 3.9548 8.5371 122.5947 60.1085 28.9833 178.7594 84 A 4.0337 7.9028 118.9054 55.1906 18.7807 179.0170 85 E 4.0806 8.1520 116.7315 59.3647 29.5121 179.0735 86 L 4.0535 8.1638 120.4411 57.5049 42.1203 178.9512 87 K 3.9471 7.8213 119.1325 59.1051 32.0547 177.4981 88 P 4.3438 0.0000 0.0000 65.4962 31.3541 178.1695 89 L 4.0002 7.4989 117.5266 57.9914 41.9661 178.7197 90 A 4.1992 8.3134 121.0137 55.2307 18.3070 179.4051 91 Q 3.8605 8.2177 118.2650 59.3624 29.1259 178.6600 92 S 4.0036 8.2803 115.4350 61.8473 62.9963 176.1575 93 H 4.2062 8.5793 119.5394 57.9919 28.2006 177.7026 94 A 2.6547 7.9244 122.4711 54.4984 18.3656 178.9784 95 T 3.9594 7.4151 112.2054 64.8281 69.3357 176.3407 96 K 4.0331 7.4481 120.1026 59.0293 32.7180 177.3582 97 H 4.2876 7.9868 114.4566 56.1249 29.5038 175.5317 98 K 3.3361 7.4990 117.2480 57.1126 28.7230 175.7651 99 I 4.3214 7.8578 118.8990 58.7874 38.3772 175.0786 100 P 4.6418 0.0000 0.0000 62.3081 32.1384 177.5776 101 I 3.6577 8.3336 121.0412 64.3170 36.8389 178.5343 102 K 3.6200 8.0000 120.1630 59.8900 31.8268 178.0718 103 Y 4.2357 8.0040 116.5372 60.5478 37.7564 178.2192 104 V 3.7993 7.6997 119.2642 65.7915 31.7319 177.6361 105 E 4.0232 8.1908 118.4955 59.4894 29.4205 179.3382 106 F 4.5157 7.9677 117.7589 60.8112 38.9079 177.6469 107 I 3.8867 8.2033 118.0623 63.8293 37.7161 178.1241 108 S 4.1750 8.2608 116.5295 61.4974 62.6576 176.0481 109 E 3.9900 8.4362 121.7599 59.3316 29.3782 178.7474 110 A 4.0174 7.9565 120.4457 55.1918 18.4198 179.6445 111 I 3.6679 8.0721 118.4653 64.6545 37.1597 178.7149 112 I 3.8259 7.8368 120.6086 64.6121 36.9583 177.9487 113 H 4.1241 8.4494 119.0748 59.3419 29.6791 177.5220 114 V 3.5446 7.7846 119.9778 65.9616 31.3282 178.0087 115 L 3.7853 7.8829 118.8154 57.8929 41.0791 178.9188 116 H 4.3326 7.9668 117.3200 59.4719 29.8644 177.2449 117 S 4.1578 7.8629 116.1236 61.2181 62.7716 176.1562 118 R 4.1862 7.8845 118.9645 56.9070 31.3408 176.2535 119 H 5.0180 8.1758 116.0376 54.0313 29.6457 173.2301 120 P 4.3217 0.0000 0.0000 65.8196 31.6388 179.0179 121 G 3.6837 8.0966 106.2823 47.2422 0.0000 173.6798 122 N 5.0190 8.1693 115.5878 52.9879 39.5193 174.7976 123 F 4.9331 7.8431 119.4727 56.3995 39.5867 174.3234 124 G 3.9091 7.6964 108.9341 43.9731 0.0000 172.0262 125 A 3.8830 8.3965 120.6230 55.4471 18.3531 179.7393 126 D 4.1838 7.9590 116.6318 57.3471 40.8766 178.7196 127 A 3.9401 7.7491 120.9126 54.9779 18.4072 179.2954 128 Q 3.0818 7.8105 118.5343 58.8631 29.0331 178.6660 129 G 3.5306 8.1158 106.7324 47.7276 0.0000 175.5357 130 A 3.8551 7.9268 123.2815 54.9891 18.3836 179.4001 131 M 3.9854 8.2657 117.0229 58.7248 32.2502 177.8733 132 N 4.3045 8.5886 117.6982 56.5965 39.0344 176.7357 133 K 3.8410 8.1541 120.7666 59.3811 32.2844 178.5757 134 A 3.7984 7.9171 121.0556 55.2270 18.1843 179.6570 135 L 4.1244 8.1592 117.4128 57.7246 41.6488 179.5493 136 E 3.9788 8.5846 119.2256 59.1588 29.3976 179.0249 137 L 3.9621 8.2029 120.6271 58.0419 42.1095 178.6813 138 F 4.1369 8.3340 120.5284 61.5187 39.2495 177.2816 139 R 3.5883 8.3167 117.7791 59.0427 29.9443 179.0095 140 K 3.8503 8.3939 119.8023 59.6164 32.2369 178.6685 141 D 4.3357 8.1353 119.1897 57.3400 40.6596 178.8506 142 I 3.4968 7.6491 120.3834 63.9581 36.9755 178.2169 143 A 3.6824 7.9636 121.7796 55.0834 18.2066 179.5956 144 A 3.9587 7.8564 119.0118 55.2311 18.4600 180.0850 145 K 4.0326 8.0597 117.0043 59.5405 32.0554 179.0934 146 Y 4.3246 8.3326 117.4090 61.1752 37.8316 178.7830 147 K 3.9957 8.1720 120.3299 59.6534 32.1087 178.7310 148 E 4.0416 7.9400 117.7055 59.1998 29.4540 178.7558 149 L 4.3043 7.8340 117.3379 55.4682 41.9016 177.8547 150 G 4.0401 7.8019 106.8320 45.4702 0.0000 172.8248 151 Y 4.3934 8.4322 119.1855 58.9539 40.2118 177.4698 152 Q 3.6291 8.1468 116.9032 56.6244 28.1376 173.6585 153 G 2.9060 6.6613 109.3741 44.8806 0.0000 174.3946 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 M 8.30 4.45 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 1 V 7.93 4.24 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 0.89 0.00 0.00 0.95 0.00 0.00 2 L 8.31 4.37 0.00 1.01 0.77 0.60 -0.42 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 3 S 8.67 4.50 0.00 4.06 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 4 E 8.84 4.26 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 2.52 0.00 5 G 8.10 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 7.89 3.89 0.00 1.91 1.70 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 2.21 2.26 0.00 7 W 8.16 4.36 0.00 3.58 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 8.61 4.12 0.00 2.26 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.73 2.60 0.00 9 L 7.89 4.04 0.00 1.87 1.74 0.89 0.82 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 10 V 7.84 3.71 2.43 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 1.19 0.00 0.00 0.92 0.00 0.00 11 L 8.48 4.33 0.00 1.85 1.81 0.94 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.62 4.26 0.00 3.40 3.56 0.00 5.78 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.88 3.41 2.42 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 1.04 0.00 0.00 0.87 0.00 0.00 14 W 8.56 4.02 0.00 3.64 3.17 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 0.00 0.00 0.00 0.00 15 A 7.92 3.98 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 16 K 7.36 3.95 0.00 1.41 1.73 0.00 1.67 0.00 0.00 1.50 0.00 0.00 2.73 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.47 7.81 17 V 7.16 2.84 1.02 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 -0.06 0.00 0.00 0.44 0.00 0.00 18 E 7.62 3.88 0.00 1.99 1.90 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 2.20 2.05 0.00 19 A 7.50 4.20 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 20 D 7.97 4.66 0.00 2.68 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 0.00 0.00 0.00 0.00 21 V 7.88 3.45 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 1.04 0.00 0.00 0.84 0.00 0.00 22 A 7.98 4.05 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 23 G 8.21 3.64 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 0.00 0.00 0.00 24 H 8.24 4.19 0.00 3.11 3.23 0.00 5.82 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 8.25 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.97 3.85 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.73 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 27 D 8.03 4.28 0.00 2.80 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 28 I 7.88 3.67 2.00 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 1.51 0.61 0.89 0.00 0.00 29 L 7.73 3.48 0.00 1.42 1.10 0.81 0.56 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 30 I 7.71 3.64 1.86 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 1.38 0.72 0.88 0.00 0.00 31 R 7.96 3.78 0.00 1.96 2.07 0.00 3.01 0.00 0.00 2.88 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 32 L 7.81 3.87 0.00 1.73 1.39 1.05 0.88 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 33 F 7.82 4.53 0.00 3.03 2.89 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 34 K 8.22 4.02 0.00 1.75 1.83 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.58 7.81 35 S 7.82 4.26 0.00 3.75 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 8.22 4.71 0.00 2.89 2.73 0.00 5.64 0.00 0.00 0.00 0.00 6.88 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 4.56 0.00 2.15 2.11 0.00 3.83 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 38 E 8.25 4.11 0.00 2.29 2.30 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 2.28 2.54 0.00 39 T 8.09 3.87 4.45 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 0.88 0.00 0.00 40 L 7.96 3.78 0.00 1.45 1.72 -0.05 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.92 4.13 0.00 2.18 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 2.38 2.40 0.00 42 K 8.09 4.48 0.00 1.91 1.73 0.00 1.87 0.00 0.00 1.76 0.00 0.00 3.15 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.72 1.92 7.81 43 F 8.11 4.56 0.00 3.25 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 44 D 8.46 4.41 0.00 2.57 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 45 R 7.77 3.88 0.00 1.40 0.76 0.00 3.08 0.00 0.00 3.00 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.55 0.00 46 F 7.89 5.09 0.00 2.95 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 47 K 8.37 3.85 0.00 1.85 1.90 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.48 7.81 48 H 8.13 4.51 0.00 3.32 3.41 0.00 5.58 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.56 4.17 0.00 1.55 1.56 0.87 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.42 4.37 0.00 1.78 1.84 0.00 1.65 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.52 7.81 51 T 7.30 4.74 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 1.20 0.00 0.00 52 E 8.69 3.91 0.00 2.04 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 0.00 2.35 2.36 0.00 53 A 7.95 3.96 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 54 E 7.94 3.94 0.00 2.11 1.99 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 2.34 2.33 0.00 55 M 8.08 4.14 0.00 2.04 2.24 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.52 0.00 56 K 8.18 4.10 0.00 1.81 1.84 0.00 1.78 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.55 7.81 57 A 7.45 4.47 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 58 S 7.41 4.27 0.00 3.88 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 59 E 8.84 4.06 0.00 2.05 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 2.41 2.32 0.00 60 D 8.12 4.43 0.00 2.96 3.07 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 61 L 8.02 3.42 0.00 1.25 1.55 -0.11 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.92 3.89 0.00 1.87 1.93 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.45 7.81 63 K 8.31 4.03 0.00 2.06 1.91 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.77 7.81 64 H 8.65 4.42 0.00 3.59 3.60 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 65 G 8.32 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 0.00 0.00 0.00 66 V 7.72 3.64 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 1.12 0.00 0.00 0.96 0.00 0.00 67 T 7.97 3.87 4.45 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 1.28 0.00 0.00 68 V 7.83 3.60 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.98 0.00 0.00 69 L 8.10 4.24 0.00 1.79 1.82 0.89 0.69 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 70 T 8.34 3.99 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 71 A 8.11 4.01 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.23 3.77 0.00 1.70 1.67 0.24 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.68 3.37 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 0.00 74 A 7.77 4.04 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 75 I 7.53 3.80 1.87 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.75 0.92 0.00 0.00 76 L 7.85 3.98 0.00 1.20 1.54 -0.14 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.71 4.02 0.00 1.66 1.80 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.46 1.53 7.81 78 K 7.82 3.98 0.00 1.84 1.86 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.63 1.74 7.81 79 K 8.22 2.00 0.00 1.26 0.74 0.00 1.46 0.00 0.00 1.44 0.00 0.00 2.73 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.36 0.85 7.81 80 G 7.98 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 81 H 7.49 4.58 0.00 3.19 3.23 0.00 5.80 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 82 H 7.33 5.18 0.00 3.29 3.46 0.00 5.66 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.54 3.95 0.00 2.07 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 2.41 2.42 0.00 84 A 7.90 4.03 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 8.15 4.08 0.00 2.25 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 86 L 8.16 4.05 0.00 2.02 1.67 0.85 0.50 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 87 K 7.82 3.95 0.00 1.83 1.87 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.59 7.81 88 P 0.00 4.34 0.00 2.30 2.33 0.00 3.86 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.04 0.00 89 L 7.50 4.00 0.00 1.93 1.94 0.99 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.31 4.20 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.22 3.86 0.00 2.15 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 92 S 8.28 4.00 0.00 3.99 4.11 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 93 H 8.58 4.21 0.00 3.57 3.60 0.00 5.80 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 7.92 2.65 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.42 3.96 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 1.11 0.00 0.00 96 K 7.45 4.03 0.00 1.54 1.60 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.24 1.35 7.81 97 H 7.99 4.29 0.00 3.00 3.15 0.00 5.86 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 7.50 3.34 0.00 1.80 1.80 0.00 1.65 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.26 1.40 7.81 99 I 7.86 4.32 2.08 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 1.38 0.93 1.13 0.00 0.00 100 P 0.00 4.64 0.00 1.92 2.00 0.00 3.21 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 0.76 1.53 0.00 101 I 8.33 3.66 1.80 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.83 0.80 0.00 0.00 102 K 8.00 3.62 0.00 1.70 1.60 0.00 1.50 0.00 0.00 1.78 0.00 0.00 3.12 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.32 0.86 7.81 103 Y 8.00 4.24 0.00 3.21 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 0.00 104 V 7.70 3.80 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.98 0.00 0.00 105 E 8.19 4.02 0.00 2.11 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 2.32 2.50 0.00 106 F 7.97 4.52 0.00 3.20 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 0.00 107 I 8.20 3.89 2.02 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 1.08 0.00 0.00 108 S 8.26 4.18 0.00 4.19 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 0.00 109 E 8.44 3.99 0.00 2.18 2.30 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 2.38 2.41 0.00 110 A 7.96 4.02 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 0.00 111 I 8.07 3.67 2.10 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 1.61 0.76 1.03 0.00 0.00 112 I 7.84 3.83 2.13 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 1.69 0.84 1.13 0.00 0.00 113 H 8.45 4.12 0.00 3.28 3.48 0.00 5.78 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.78 3.54 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 0.99 0.00 0.00 0.99 0.00 0.00 115 L 7.88 3.79 0.00 0.54 0.64 0.82 0.69 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 0.00 116 H 7.97 4.33 0.00 3.46 3.62 0.00 5.95 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 7.86 4.16 0.00 3.90 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 0.00 118 R 7.88 4.19 0.00 1.61 1.64 0.00 3.08 0.00 0.00 2.98 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.62 0.00 119 H 8.18 5.02 0.00 3.21 3.21 0.00 5.63 0.00 0.00 0.00 0.00 6.75 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 4.32 0.00 2.21 2.26 0.00 3.74 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 2.06 1.93 0.00 121 G 8.10 3.68 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 0.00 0.00 0.00 122 N 8.17 5.02 0.00 2.81 2.94 0.00 0.00 6.65 7.52 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 0.00 123 F 7.84 4.93 0.00 2.93 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 7.70 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 0.00 125 A 8.40 3.88 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 7.96 4.18 0.00 2.65 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 0.00 127 A 7.75 3.94 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 0.00 128 Q 7.81 3.08 0.00 1.20 1.88 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 2.21 2.21 0.00 129 G 8.12 3.53 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 0.00 130 A 7.93 3.86 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 0.00 131 M 8.27 3.99 0.00 2.36 2.36 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 2.77 2.92 0.00 132 N 8.59 4.30 0.00 2.89 2.91 0.00 0.00 6.86 6.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 K 8.15 3.84 0.00 1.91 1.69 0.00 1.60 0.00 0.00 1.50 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.37 7.81 134 A 7.92 3.80 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.16 4.12 0.00 1.89 1.81 0.99 0.72 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 0.00 136 E 8.58 3.98 0.00 2.13 1.99 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 2.34 2.56 0.00 137 L 8.20 3.96 0.00 1.77 1.94 1.03 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.33 4.14 0.00 3.14 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 0.00 139 R 8.32 3.59 0.00 2.01 1.88 0.00 3.17 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.96 0.00 140 K 8.39 3.85 0.00 1.75 1.98 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.45 7.81 141 D 8.14 4.34 0.00 2.86 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 0.00 142 I 7.65 3.50 1.27 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 1.02 -0.36 0.17 0.00 0.00 143 A 7.96 3.68 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 0.00 144 A 7.86 3.96 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 0.00 145 K 8.06 4.03 0.00 1.98 1.94 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.62 7.81 146 Y 8.33 4.32 0.00 3.30 3.17 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 0.00 0.00 0.00 0.00 147 K 8.17 4.00 0.00 1.92 2.00 0.00 1.53 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.54 7.81 148 E 7.94 4.04 0.00 2.21 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 149 L 7.83 4.30 0.00 1.83 1.69 0.95 0.81 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 0.00 150 G 7.80 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 8.43 4.39 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 0.00 152 Q 8.15 3.63 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.77 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 153 G 6.66 2.91 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