NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1105 8.0549 114.0558 61.1857 33.0630 174.1535 2 L 4.2834 8.0762 120.7826 51.7726 42.8246 176.2419 3 S 4.5350 9.5853 119.5461 57.8205 66.2170 175.1180 4 E 4.3061 8.8094 121.3284 59.4878 29.1648 179.8687 5 G 3.6171 8.0777 105.4670 47.7922 0.0000 175.5382 6 E 3.9210 8.0742 120.5974 58.9880 29.4877 179.4327 7 W 4.2903 8.1892 119.0363 59.8509 29.0834 178.3767 8 Q 4.1119 8.5075 119.8221 59.0351 28.4083 178.2522 9 L 4.0318 7.8843 120.1008 57.7325 41.5960 179.4960 10 V 3.7016 8.1317 118.4170 66.2627 31.6241 178.0622 11 L 4.2252 8.3640 118.3058 57.5709 41.2684 178.8967 12 H 4.2888 8.3464 118.3247 59.0556 30.1110 177.3523 13 V 3.7970 8.2850 121.3571 64.6059 31.3164 178.1485 14 W 4.0732 8.7529 129.0902 60.0711 30.2111 177.7235 15 A 4.0236 7.7292 119.6086 54.7830 17.6011 179.4166 16 K 3.9050 7.8863 117.3519 59.4895 32.0051 179.6092 17 V 2.7269 6.9748 117.8876 65.7546 31.1345 177.7456 18 E 3.8304 7.4567 116.2215 58.5857 29.2855 178.7678 19 A 4.2160 7.3074 119.9369 54.0206 19.6407 177.6433 20 D 4.6367 7.7775 116.1531 52.5142 43.1544 175.6337 21 V 3.5366 7.9316 123.1198 65.4419 32.0464 176.8846 22 A 4.1196 7.9557 120.2848 54.8705 18.2839 179.7606 23 G 3.5572 8.1699 105.6679 47.8449 0.0000 175.8095 24 H 4.1938 8.2942 119.2728 58.2505 28.6705 178.2204 25 G 3.5158 8.4587 108.1036 47.7652 0.0000 175.5880 26 Q 3.8450 8.1483 122.1133 58.9358 29.0548 177.9767 27 D 4.2530 8.0035 119.9334 57.4005 40.8240 178.9597 28 I 3.6544 7.8846 120.4309 64.3003 37.0844 178.5341 29 L 3.4737 7.6860 119.8219 57.5544 41.2693 179.6171 30 I 3.5465 7.6109 119.8933 64.1595 36.9582 178.3732 31 R 3.7692 7.7885 119.5726 59.3009 29.8848 178.2571 32 L 3.9294 7.6743 120.0019 58.3540 42.1952 179.0602 33 F 4.6335 7.9249 117.7229 60.4350 38.5968 177.8864 34 K 4.1004 8.1556 117.5615 59.2330 32.0473 179.2944 35 S 4.2568 8.0431 114.8818 60.4046 64.3177 174.4999 36 H 4.7957 7.9695 118.0733 52.1533 29.0767 172.0414 37 P 5.1420 0.0000 0.0000 64.4098 31.3974 177.6112 38 E 4.1150 8.2491 116.5249 59.4150 29.5646 179.0999 39 T 3.8642 8.3834 111.4159 64.5411 68.7532 176.3094 40 L 3.5046 7.8440 123.0078 57.7158 41.7705 178.4487 41 E 4.0431 7.8487 118.3635 58.4728 29.6684 178.1950 42 K 4.4726 8.0687 116.6912 56.9478 32.6524 176.7705 43 F 4.6687 8.2114 119.4624 55.3850 38.9826 175.7838 44 D 4.4234 8.6441 126.6377 57.1526 40.9038 178.6384 45 R 3.8172 7.9301 118.0917 58.3378 30.2949 176.6150 46 F 5.0995 7.9194 113.5887 56.5728 40.5241 176.7788 47 K 3.9193 8.3155 120.6653 59.5099 31.9121 177.6454 48 H 4.4139 8.1443 112.5185 57.0852 29.0034 175.4140 49 L 4.0702 7.6032 121.6797 54.6635 41.6977 176.5671 50 K 4.3206 9.4630 124.0356 57.1777 33.7302 177.2440 51 T 4.6707 7.5001 107.6944 59.3530 72.7355 174.5505 52 E 3.9130 8.6102 121.4867 59.3188 29.7318 178.7048 53 A 3.9929 7.9732 120.4101 55.3096 18.2373 179.3383 54 E 3.9495 7.9871 115.9450 59.7134 29.9151 179.1605 55 M 4.1741 8.1257 118.7538 58.4241 31.8267 179.0173 56 K 3.9715 8.3015 117.5954 58.9334 32.2813 178.4192 57 A 4.4593 7.5544 118.3947 51.6318 18.7633 177.0808 58 S 4.3261 7.5216 113.7319 57.5153 62.6781 174.7332 59 E 4.0602 8.8045 128.5427 59.2367 29.2335 178.6543 60 D 4.4695 8.1570 118.0433 57.0374 41.2968 177.8235 61 L 3.5640 8.1204 121.0869 57.8503 42.0338 178.8970 62 K 3.8395 7.6766 118.0620 59.4271 32.0622 179.0323 63 K 3.9338 8.1150 119.6399 59.9538 32.0748 178.2932 64 H 4.4019 8.7640 118.7322 59.0959 29.7687 177.2200 65 G 3.6771 8.4917 108.1257 47.9059 0.0000 175.7214 66 V 3.6094 7.9530 120.6419 65.9964 31.4854 178.0544 67 T 3.9022 7.8326 115.3811 66.7576 68.2922 176.7395 68 V 3.6094 8.0574 120.2276 66.1534 31.6376 178.1823 69 L 4.2528 8.1760 118.6505 57.8265 41.4989 179.5099 70 T 3.9965 8.5492 116.2929 66.5327 68.4364 176.4901 71 A 3.9802 7.9097 122.3546 55.0575 18.4402 179.3978 72 L 3.7729 8.1489 119.1105 58.1614 42.1898 179.3664 73 G 3.0424 8.5846 105.8259 47.5977 0.0000 175.5012 74 A 3.9812 7.6696 122.0302 54.8526 18.7741 179.5130 75 I 3.7858 7.5675 118.1902 64.5186 37.1608 178.6641 76 L 3.9936 7.7393 119.8872 57.6371 41.1860 179.5179 77 K 3.9818 7.5347 116.6377 58.3034 32.2909 178.7377 78 K 3.9534 7.7286 117.9682 56.0737 32.6297 176.5499 79 K 2.0000 8.3075 118.3287 56.4732 29.7265 175.9411 80 G 3.8612 7.8098 105.6566 45.7034 0.0000 173.7154 81 H 4.5782 7.2774 119.2912 55.1474 27.3437 174.7821 82 H 5.1946 7.6038 108.3415 54.0855 29.6525 176.2674 83 E 3.9568 8.6311 121.8781 60.3761 28.9403 179.1211 84 A 4.0386 7.8764 118.6908 55.1441 18.5167 179.0639 85 E 4.0990 8.1197 116.7306 59.1797 29.6484 178.9209 86 L 4.0332 8.2484 120.6559 57.3421 42.1390 178.5217 87 K 3.8352 7.8248 120.1703 59.1823 32.0363 176.9448 88 P 4.2770 0.0000 0.0000 65.7287 31.1562 178.3381 89 L 4.0224 7.9173 118.0496 57.4796 41.5949 178.8991 90 A 4.1233 8.3448 121.0836 55.4570 18.3533 179.6892 91 Q 3.7994 8.1495 116.5781 59.1718 28.7496 179.3577 92 S 4.0319 8.3685 115.5730 61.6839 63.0922 176.1999 93 H 4.1597 8.6608 119.8127 58.1232 28.2112 177.7367 94 A 3.0141 7.7527 122.5333 54.5200 18.2738 179.0333 95 T 3.9848 7.1792 106.5019 60.8399 69.6797 174.9558 96 K 4.2479 7.4936 120.0810 58.1847 33.9924 176.5196 97 H 4.3751 8.0095 113.5034 55.8207 29.4785 175.2467 98 K 3.7515 7.6256 117.2803 57.2569 28.8872 176.0733 99 I 4.1848 7.9728 119.2338 59.1458 38.3189 175.2164 100 P 4.5045 0.0000 0.0000 62.0357 32.1102 177.7533 101 I 3.4473 8.1464 121.3099 64.1503 36.8773 178.3940 102 K 3.6126 7.9554 120.2077 59.9665 31.7249 178.0991 103 Y 4.1188 7.8703 116.5664 60.6888 37.8691 178.1543 104 L 4.1509 7.9790 120.2965 57.3203 41.6718 179.0062 105 E 3.9630 7.9453 119.0604 59.2647 29.7163 178.4884 106 F 4.4703 7.9302 117.8134 61.0049 39.0714 177.6798 107 I 3.8609 8.2513 117.9318 63.9806 37.7952 178.0593 108 S 4.2238 8.1549 116.0752 61.6320 62.6598 176.4269 109 E 4.0732 8.3845 121.0421 59.4359 29.1701 179.3202 110 A 4.0762 8.1718 120.8114 55.0090 18.3660 179.8437 111 I 3.6780 7.9310 118.5747 64.6547 37.1991 178.6915 112 I 3.8587 7.7510 120.2379 64.4980 36.8724 177.9699 113 H 4.0995 8.4428 119.1417 59.4063 29.7134 177.5634 114 V 4.1246 7.9370 121.4372 65.4114 31.4016 177.9210 115 L 3.8150 7.9654 118.8084 58.0850 41.1364 179.1845 116 H 4.3187 7.9803 115.1996 58.9447 28.9522 177.7430 117 S 4.2247 8.2076 116.1774 61.2830 62.6415 176.4539 118 R 4.0419 7.9297 120.3767 57.1370 31.3877 176.3228 119 H 4.9966 7.9361 115.0785 53.7769 29.3116 171.9513 120 P 4.5522 0.0000 0.0000 64.0883 32.0116 177.3138 121 G 3.9490 9.0955 109.5397 46.0583 0.0000 172.9394 122 D 4.8149 8.4237 115.8961 53.2679 42.1907 175.4881 123 F 5.0012 8.0813 120.1751 55.5831 39.6228 175.3254 124 G 3.7734 8.2303 113.3097 43.7682 0.0000 171.2670 125 A 3.8542 8.3827 122.6624 54.8446 18.3412 179.9459 126 D 4.1915 7.9179 117.1314 56.6377 39.5714 178.5797 127 A 3.9906 7.7733 121.9555 54.6714 18.4538 179.2178 128 Q 3.6928 7.8882 118.5004 59.0059 29.0507 178.5903 129 G 3.5781 7.9577 106.6034 47.7921 0.0000 175.5647 130 A 3.8728 8.0547 123.3382 54.9104 18.3436 179.3501 131 M 3.9706 8.3185 117.0311 58.7221 32.3271 177.8172 132 N 4.2986 8.2763 117.1168 56.8084 39.1540 176.8487 133 K 3.8724 8.0158 119.4929 59.5014 32.0995 179.2209 134 A 3.8764 8.0862 121.0956 55.0872 18.3013 179.7085 135 L 4.1266 8.3915 117.8131 57.6808 41.5762 179.5366 136 E 4.0488 8.3227 119.0400 59.0620 29.3509 178.9909 137 L 3.9612 8.1291 120.4990 58.0339 42.2126 178.4655 138 F 4.1001 8.2642 120.6542 61.6794 39.2765 177.3291 139 R 3.6462 8.1858 117.2490 59.0289 29.8888 178.8756 140 K 3.8393 8.2786 119.6444 59.8130 31.8069 178.5757 141 D 4.3830 8.0914 119.0185 57.1940 40.6739 178.8556 142 I 3.5796 7.5139 120.2583 64.1921 36.9496 178.1980 143 A 3.7895 8.3338 121.7380 55.0712 18.1871 179.4964 144 A 3.9360 8.0266 119.2186 55.3500 18.3752 180.0433 145 K 4.0586 7.8005 116.5515 59.4827 32.0626 179.1923 146 Y 4.0710 8.6202 117.7065 61.0066 37.8034 178.6273 147 K 3.9685 8.4989 120.7385 59.3277 32.0718 178.1022 148 E 3.9356 7.8817 118.5218 59.5807 29.6519 178.5318 149 L 4.3636 7.5414 115.0473 55.2509 41.8919 177.7847 150 G 3.7814 7.8561 106.8450 45.9859 0.0000 173.5558 151 Y 4.3896 8.2423 115.0439 57.0701 38.3094 175.0771 152 Q 3.9670 8.1244 121.9303 58.2709 29.1983 176.4605 153 G 3.7565 9.0871 113.5934 45.5495 0.0000 172.9292 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 4.11 2.16 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 0.93 0.00 0.00 0.96 0.00 0.00 2 L 8.08 4.28 0.00 0.83 0.64 0.54 -0.87 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 3 S 9.59 4.53 0.00 4.05 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 4 E 8.81 4.31 0.00 2.07 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 2.50 2.38 0.00 5 G 8.08 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 6 E 8.07 3.92 0.00 1.96 1.75 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 2.23 2.27 0.00 7 W 8.19 4.29 0.00 3.57 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 8 Q 8.51 4.11 0.00 2.31 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 9 L 7.88 4.03 0.00 1.94 1.73 0.89 0.77 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 10 V 8.13 3.70 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.85 0.00 0.00 11 L 8.36 4.23 0.00 1.86 1.80 0.94 0.88 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 8.35 4.29 0.00 3.25 3.64 0.00 5.95 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 13 V 8.29 3.80 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.88 0.00 0.00 14 W 8.75 4.07 0.00 3.56 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 15 A 7.73 4.02 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 16 K 7.89 3.90 0.00 1.62 1.54 0.00 1.49 0.00 0.00 0.99 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.28 1.29 7.81 17 V 6.97 2.73 0.69 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 0.20 0.00 0.00 0.11 0.00 0.00 18 E 7.46 3.83 0.00 1.88 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 2.34 2.16 0.00 19 A 7.31 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 7.78 4.64 0.00 2.69 2.50 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 21 V 7.93 3.54 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 1.01 0.00 0.00 0.85 0.00 0.00 22 A 7.96 4.12 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 8.17 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.29 4.19 0.00 3.08 3.22 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 8.46 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 26 Q 8.15 3.85 0.00 2.18 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 27 D 8.00 4.25 0.00 2.78 2.61 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 28 I 7.88 3.65 1.80 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 1.50 0.74 0.87 0.00 0.00 29 L 7.69 3.47 0.00 1.29 0.79 0.76 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.61 3.55 1.81 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 1.33 0.58 0.86 0.00 0.00 31 R 7.79 3.77 0.00 1.95 2.01 0.00 3.03 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 32 L 7.67 3.93 0.00 1.80 1.51 1.06 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.92 4.63 0.00 3.11 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 34 K 8.16 4.10 0.00 1.74 1.83 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.65 1.60 7.81 35 S 8.04 4.26 0.00 3.84 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 7.97 4.80 0.00 3.10 3.08 0.00 5.63 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 5.14 0.00 2.16 2.11 0.00 3.85 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 2.10 1.99 0.00 38 E 8.25 4.12 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 2.25 2.53 0.00 39 T 8.38 3.86 4.50 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 0.87 0.00 0.00 40 L 7.84 3.50 0.00 1.25 1.71 -0.01 1.14 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 41 E 7.85 4.04 0.00 1.98 2.16 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 2.37 2.43 0.00 42 K 8.07 4.47 0.00 1.97 1.74 0.00 1.78 0.00 0.00 1.79 0.00 0.00 3.18 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.74 1.94 7.81 43 F 8.21 4.67 0.00 3.22 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 44 D 8.64 4.42 0.00 2.64 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 45 R 7.93 3.82 0.00 1.48 1.17 0.00 2.98 0.00 0.00 2.79 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 1.32 0.00 46 F 7.92 5.10 0.00 2.88 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.32 3.92 0.00 1.78 1.92 0.00 1.77 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.64 7.81 48 H 8.14 4.41 0.00 3.29 3.43 0.00 5.53 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 7.60 4.07 0.00 1.62 1.59 0.88 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.46 4.32 0.00 1.77 1.83 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.49 7.81 51 T 7.50 4.67 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 8.61 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 7.97 3.99 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 7.99 3.95 0.00 2.13 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 2.35 2.35 0.00 55 M 8.13 4.17 0.00 2.05 2.22 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 2.81 2.59 0.00 56 K 8.30 3.97 0.00 1.80 1.85 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.64 7.81 57 A 7.55 4.46 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 58 S 7.52 4.33 0.00 3.94 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 8.80 4.06 0.00 2.05 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 2.32 0.00 60 D 8.16 4.47 0.00 2.91 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.12 3.56 0.00 1.50 1.62 -0.24 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.68 3.84 0.00 2.02 1.85 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.42 7.81 63 K 8.11 3.93 0.00 2.00 2.13 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.51 7.81 64 H 8.76 4.40 0.00 3.69 3.54 0.00 5.85 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 8.49 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 66 V 7.95 3.61 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 1.02 0.00 0.00 0.99 0.00 0.00 67 T 7.83 3.90 4.39 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 1.28 0.00 0.00 68 V 8.06 3.61 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 1.10 0.00 0.00 0.98 0.00 0.00 69 L 8.18 4.25 0.00 1.80 1.86 0.86 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.55 4.00 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 1.26 0.00 0.00 71 A 7.91 3.98 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 72 L 8.15 3.77 0.00 1.67 1.68 0.20 0.86 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 73 G 8.58 3.04 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 74 A 7.67 3.98 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 75 I 7.57 3.79 1.92 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 1.56 0.97 0.99 0.00 0.00 76 L 7.74 3.99 0.00 1.28 1.55 0.07 0.83 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 7.53 3.98 0.00 1.79 1.79 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.46 7.81 78 K 7.73 3.95 0.00 1.87 1.81 0.00 1.74 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.60 1.74 7.81 79 K 8.31 2.00 0.00 1.25 0.74 0.00 1.51 0.00 0.00 1.43 0.00 0.00 2.67 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.38 0.74 7.81 80 G 7.81 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 0.00 0.00 0.00 81 H 7.28 4.58 0.00 3.18 3.21 0.00 5.79 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 7.60 5.19 0.00 3.30 3.43 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 83 E 8.63 3.96 0.00 2.09 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 2.43 2.50 0.00 84 A 7.88 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 85 E 8.12 4.10 0.00 2.24 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 2.40 2.43 0.00 86 L 8.25 4.03 0.00 1.95 1.61 0.95 0.25 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 87 K 7.82 3.84 0.00 1.95 1.81 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.47 7.81 88 P 0.00 4.28 0.00 2.33 2.31 0.00 3.74 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 2.21 2.07 0.00 89 L 7.92 4.02 0.00 1.91 1.78 1.04 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.34 4.12 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 91 Q 8.15 3.80 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 92 S 8.37 4.03 0.00 3.90 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 93 H 8.66 4.16 0.00 3.49 3.56 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 7.75 3.01 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.18 3.98 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 1.02 0.00 0.00 96 K 7.49 4.25 0.00 1.54 1.74 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.00 1.30 7.81 97 H 8.01 4.38 0.00 3.04 3.14 0.00 5.86 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 98 K 7.63 3.75 0.00 1.88 1.86 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.29 1.38 7.81 99 I 7.97 4.18 2.03 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 1.33 0.91 1.05 0.00 0.00 100 P 0.00 4.50 0.00 1.72 1.95 0.00 2.23 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.78 0.00 101 I 8.15 3.45 1.69 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.81 0.72 0.00 0.00 102 K 7.96 3.61 0.00 1.70 1.62 0.00 1.55 0.00 0.00 1.76 0.00 0.00 3.17 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 0.73 7.81 103 Y 7.87 4.12 0.00 3.17 3.02 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 0.00 104 L 7.98 4.15 0.00 1.80 1.81 0.69 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.95 3.96 0.00 1.98 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 2.48 2.45 0.00 106 F 7.93 4.47 0.00 3.22 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 0.00 107 I 8.25 3.86 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 1.58 1.39 1.06 0.00 0.00 108 S 8.15 4.22 0.00 4.24 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 8.38 4.07 0.00 2.36 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 110 A 8.17 4.08 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 0.00 111 I 7.93 3.68 2.07 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 1.58 0.80 0.98 0.00 0.00 112 I 7.75 3.86 2.13 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.94 1.15 0.00 0.00 113 H 8.44 4.10 0.00 3.31 3.46 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 7.94 4.12 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 0.90 0.00 0.00 0.94 0.00 0.00 115 L 7.97 3.81 0.00 1.30 0.62 0.50 0.66 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 0.00 116 H 7.98 4.32 0.00 3.40 3.39 0.00 5.85 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.21 4.22 0.00 4.00 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 0.00 118 R 7.93 4.04 0.00 1.51 1.58 0.00 2.57 0.00 0.00 2.80 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.60 0.00 119 H 7.94 5.00 0.00 3.25 3.18 0.00 5.62 0.00 0.00 0.00 0.00 6.77 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 4.55 0.00 2.19 2.08 0.00 3.91 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 1.99 1.96 0.00 121 G 9.10 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 D 8.42 4.81 0.00 2.64 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 0.00 123 F 8.08 5.00 0.00 2.77 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 0.00 124 G 8.23 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 0.00 125 A 8.38 3.85 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 0.00 126 D 7.92 4.19 0.00 2.83 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 0.00 127 A 7.77 3.99 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 0.00 128 Q 7.89 3.69 0.00 1.26 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 129 G 7.96 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 0.00 130 A 8.05 3.87 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 0.00 131 M 8.32 3.97 0.00 2.35 2.35 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.79 0.00 132 N 8.28 4.30 0.00 3.08 2.79 0.00 0.00 7.25 6.22 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 0.00 133 K 8.02 3.87 0.00 1.87 1.67 0.00 1.63 0.00 0.00 1.49 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.52 7.81 134 A 8.09 3.88 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 0.00 135 L 8.39 4.13 0.00 1.74 1.80 0.98 0.76 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 0.00 136 E 8.32 4.05 0.00 2.17 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 2.35 2.55 0.00 137 L 8.13 3.96 0.00 1.89 1.97 0.99 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.26 4.10 0.00 3.16 3.26 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 0.00 139 R 8.19 3.65 0.00 2.03 1.88 0.00 3.16 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.92 0.00 140 K 8.28 3.84 0.00 1.81 1.96 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.63 7.81 141 D 8.09 4.38 0.00 2.71 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 I 7.51 3.58 1.50 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 0.96 -0.08 0.57 0.00 0.00 143 A 8.33 3.79 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 0.00 144 A 8.03 3.94 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 0.00 145 K 7.80 4.06 0.00 1.86 1.89 0.00 1.70 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 1.78 1.62 7.81 146 Y 8.62 4.07 0.00 3.18 3.12 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 0.00 147 K 8.50 3.97 0.00 1.96 2.00 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.47 7.81 148 E 7.88 3.94 0.00 2.05 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 2.35 2.39 0.00 149 L 7.54 4.36 0.00 1.93 1.97 0.85 1.47 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 0.00 150 G 7.86 3.78 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 0.00 0.00 0.00 151 Y 8.24 4.39 0.00 2.92 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 0.00 152 Q 8.12 3.97 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 153 G 9.09 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00