NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.2162 8.4445 119.1126 54.0904 28.7015 174.8367 4 L 3.9060 8.4301 123.8195 53.3412 41.2435 173.6245 5 T 4.0528 8.8519 119.9956 60.5088 68.8401 174.1292 6 E 3.8497 8.9775 126.9902 59.9506 28.9074 178.9240 7 E 3.9960 8.2567 120.3263 58.8662 29.3884 178.2333 8 Q 3.9890 7.9064 116.0330 57.3927 29.1345 176.8743 9 I 3.9147 8.6226 120.3502 64.1340 38.1343 177.3221 10 A 4.0087 8.0292 120.9356 55.6615 17.8127 179.4782 11 E 4.0816 8.0239 116.6022 59.6617 29.6856 179.1219 12 F 4.8184 8.8459 116.8561 59.1411 39.0008 177.2795 13 K 4.4589 7.9948 118.0992 58.6593 32.7335 178.2518 14 E 4.3343 8.6145 117.3142 58.5648 29.1012 178.2614 15 A 4.6904 7.9121 120.2997 53.5996 20.0758 178.3602 16 F 3.5944 8.0768 119.1466 61.7072 39.3594 177.6868 17 S 4.0672 9.0244 114.8814 61.4387 62.5671 176.1768 18 L 4.0483 7.4139 121.4166 57.1792 41.7037 177.4700 19 F 4.4756 7.4103 114.5002 57.2943 39.5831 175.8762 20 D 4.4061 8.0545 124.3590 51.8271 39.4204 176.2416 21 K 3.7323 8.1564 124.7422 59.0959 33.1933 177.6209 22 D 4.5349 8.5472 118.3060 58.8337 38.7821 178.6175 23 G 3.8557 7.4256 100.8999 47.7049 0.0000 175.6145 24 D 4.2966 8.3129 120.2086 53.3122 39.4369 175.7371 25 G 4.0594 7.0718 107.5664 45.0781 0.0000 172.8282 26 T 5.3855 8.1871 109.8543 59.7095 72.6171 173.0247 27 I 4.8354 8.6826 115.0056 59.1054 41.2451 175.4004 28 T 4.5963 9.8346 115.8476 61.6036 69.7245 175.6310 29 T 3.8066 8.3886 117.5773 66.7236 68.3982 176.7190 30 K 3.8016 8.0569 119.6980 59.7448 32.1212 178.6973 31 E 3.8478 7.9654 118.3619 59.5303 29.4223 179.0551 32 L 3.8852 8.0209 120.4299 58.2362 42.0128 179.2827 33 G 3.5598 7.9743 105.3480 48.2299 0.0000 175.8629 34 T 3.7365 7.6875 118.4421 66.0842 68.1911 176.9921 35 V 2.8017 7.6591 119.6105 66.2693 31.6828 177.6219 36 M 4.0552 7.8915 118.5484 57.8906 31.8480 178.4820 37 R 4.7264 8.3961 119.4305 59.0827 30.2299 179.1875 38 S 4.1955 7.5175 112.3804 61.3051 62.9227 175.7900 39 L 4.3367 7.9416 120.0056 54.0075 42.8012 175.8655 40 G 3.5711 8.7849 108.6153 44.0514 0.0000 172.6459 41 Q 4.5348 7.3765 121.3714 56.7815 32.8257 173.6974 42 N 5.1122 8.4180 114.6054 50.8646 38.1301 172.2687 43 P 4.2579 0.0000 0.0000 63.6424 32.2789 177.2865 44 T 3.9373 8.1681 109.9841 61.9889 68.9405 174.9409 45 E 4.0240 8.8450 121.2097 57.9987 29.3662 177.5132 46 A 4.5608 8.4298 121.3939 52.5383 21.4790 177.9812 47 E 4.0838 9.6373 116.1724 58.1003 29.9045 178.0982 48 L 4.1721 7.8350 118.9682 57.2200 42.5225 177.5561 49 Q 4.4147 7.6816 116.0680 57.1224 28.9963 177.3990 50 D 4.3330 7.4668 118.9776 57.6205 40.7690 178.2772 51 M 4.2160 7.9315 118.6321 58.3504 31.9912 178.5737 52 I 3.8046 7.6570 118.3141 64.0473 38.1958 177.0773 53 N 4.3775 8.7890 117.0628 55.6335 38.8318 175.4764 54 E 4.2405 7.5724 117.6763 57.3558 30.8517 176.1652 55 V 4.5577 7.6823 111.2180 61.3118 32.0036 178.1436 56 D 4.6939 7.7391 120.8553 53.9803 38.9677 176.9536 57 A 4.7411 7.8919 121.1142 51.5116 20.7473 175.4921 58 D 5.1595 7.7214 119.9342 53.8546 44.0991 177.7641 59 G 3.7526 8.6837 107.3107 46.8483 0.0000 172.4684 60 N 4.4502 8.2024 119.6847 50.7752 35.2435 172.3947 61 G 3.3837 7.3211 112.2238 44.8032 0.0000 170.6203 62 T 5.4225 7.6631 109.6945 59.2068 71.9349 172.9783 63 I 4.7877 8.2208 116.6542 59.4009 41.1694 175.2242 64 D 5.1262 8.4244 124.5546 52.7919 41.7425 175.3026 65 F 3.0893 8.8826 115.5244 60.2824 39.2463 175.8686 66 P 4.5552 0.0000 0.0000 65.3025 31.3731 177.3067 67 E 4.3202 9.3054 117.3258 57.6476 30.4000 178.1522 68 F 4.3751 8.6273 121.3176 60.5751 39.3998 177.1854 69 L 4.0019 8.0156 118.4471 58.5776 42.0462 177.9778 70 T 4.1137 7.8490 115.7104 65.4431 66.9502 177.0145 71 M 3.7114 8.0545 120.3031 58.2024 33.9154 177.0755 72 M 4.5603 7.4579 120.2421 54.1586 28.3315 174.3217 73 A 4.6636 7.6059 124.2733 52.8152 25.5273 179.2233 74 R 4.2383 7.4230 114.2186 58.3857 30.4952 177.7314 75 K 4.3440 7.9303 116.4152 56.5176 33.6825 175.9685 76 M 4.5225 9.1414 117.1035 55.5804 33.7786 176.8436 77 K 4.1115 8.0371 116.4488 57.6682 31.5829 175.2905 78 D 4.6849 7.2942 113.5934 55.5221 43.7744 175.2516 79 T 3.9244 7.7003 113.6205 63.3468 67.4149 174.2020 80 D 4.8204 8.3886 126.9116 53.3500 42.9434 177.5509 81 S 4.5206 8.0073 116.8435 60.9861 62.7876 174.9173 82 E 3.9356 8.3642 122.3022 60.0402 29.3958 177.7829 83 E 3.9712 7.9095 119.3299 58.7721 29.5633 178.2733 84 E 3.9628 8.1447 117.5898 60.0375 29.8459 179.7479 85 I 3.9029 7.7541 118.7595 64.4573 37.1523 178.1887 86 R 4.3732 8.5995 119.5549 58.6145 29.6574 178.3646 87 E 4.0438 8.4567 118.3294 59.1489 29.9011 178.1709 88 A 4.3437 8.3065 120.4350 55.6153 18.4005 178.7593 89 F 3.7248 8.5781 118.2181 62.0009 39.2397 177.4848 90 R 4.0043 8.1004 116.1525 59.1765 29.9349 179.0995 91 V 3.6556 7.8991 117.8250 66.0465 31.7243 177.7771 92 F 4.0512 8.0899 115.6200 59.8617 40.2329 176.4868 93 D 4.5136 7.3177 117.2597 53.8041 36.7965 175.5762 94 K 4.0102 7.8037 123.5309 59.6165 32.9278 178.7594 95 D 4.3845 7.9216 117.0212 55.9897 39.3691 177.3183 96 G 4.2257 7.9403 108.4244 45.6442 0.0000 173.5213 97 N 4.7113 8.7104 115.6012 51.7086 37.5643 176.3287 98 G 4.1134 8.4392 105.5054 46.4964 0.0000 173.2556 99 Y 5.0583 7.7921 115.9988 56.1177 42.0935 175.4114 100 I 4.4822 9.6249 125.0236 59.7555 38.7768 175.3387 101 S 4.7189 10.2735 123.8503 57.3948 64.4636 175.5066 102 A 4.1618 8.8314 123.0379 55.3106 18.0131 179.7074 103 A 3.9415 8.0767 119.2128 55.6812 18.4846 179.5759 104 E 3.9950 8.0293 114.1335 59.0017 29.6996 178.7611 105 L 4.0749 8.3442 122.0384 58.2711 42.0659 179.0261 106 R 3.8787 7.9370 117.9199 59.9152 29.9505 177.7541 107 H 4.1109 8.0986 116.6007 59.0668 29.7863 176.2029 108 V 3.8706 7.7763 118.9983 64.7462 31.9986 177.6375 109 M 4.1875 8.2233 118.5579 57.8656 31.5214 178.0955 110 T 4.7564 7.7542 109.9561 62.7370 69.8338 176.2442 111 N 4.5741 7.7283 119.8133 55.4259 38.4333 176.3295 112 L 4.1573 7.5639 117.6952 54.9723 41.3713 177.8237 113 G 3.8546 8.0889 107.2219 45.1242 0.0000 173.4104 114 E 4.2996 7.9128 121.3559 54.3007 30.0411 175.2336 115 K 4.3494 8.6030 126.9098 55.9844 31.8262 176.2811 116 L 4.6567 8.1562 124.0068 52.9212 43.8900 176.3777 117 T 4.1498 8.2460 116.8935 61.3507 67.6548 174.9636 118 D 4.4541 8.8404 128.6195 56.6673 41.2706 177.4350 119 E 4.3540 8.4998 118.5380 59.3292 30.2187 177.5611 120 E 4.3129 7.8066 116.2288 57.4076 29.5145 179.0064 121 V 3.7009 7.5545 119.1517 65.9164 31.8157 177.1425 122 D 4.4568 8.2215 116.9447 58.2158 40.8568 178.0380 123 Q 3.9846 7.8897 118.8512 59.4760 28.9014 177.7053 124 M 3.8683 8.5414 118.2545 58.9880 31.8080 179.3293 125 I 3.6142 8.0263 119.1701 64.5372 37.6057 178.0982 126 R 3.7890 8.0854 119.8587 59.3775 29.9025 178.0546 127 E 4.0760 8.1327 117.7612 58.2492 29.6789 177.8249 128 A 4.3697 7.2987 119.2622 53.2562 19.5857 177.1931 129 D 4.6667 7.5120 117.2434 54.3289 41.7708 175.8748 130 I 4.2522 9.9863 128.0717 61.8181 38.4682 176.2073 131 D 4.7393 8.4116 117.1996 52.6639 39.4286 177.2529 132 G 4.0381 8.4512 109.3945 46.0447 0.0000 174.7294 133 D 4.3341 8.0337 116.2961 53.8520 38.9510 177.6881 134 G 4.0303 8.8114 107.6800 46.1553 0.0000 173.1486 135 Q 4.8039 7.7473 115.0511 54.3496 32.1243 174.8172 136 V 4.9268 8.4920 112.1282 59.6312 34.8687 175.0201 137 N 5.2702 8.4097 121.1862 50.9771 40.4221 174.9181 138 Y 3.4380 7.9718 119.2599 61.4376 38.3614 177.4499 139 E 3.5721 8.2616 117.8185 60.3146 29.5449 179.1936 140 E 4.0229 9.3761 117.9226 59.1224 29.8698 179.0908 141 F 4.3881 8.4441 122.7588 61.1890 38.9341 177.2166 142 V 3.2569 8.1102 118.3400 66.1363 31.1991 177.4768 143 Q 3.8803 7.7489 117.4402 58.9947 28.3047 178.4331 144 M 3.7859 7.9009 119.1611 58.8381 32.5562 177.8720 145 M 3.8582 7.7945 116.8308 56.9691 32.0191 176.9361 146 T 3.7506 5.7900 108.1535 64.6741 69.5385 174.0798 147 A 3.8256 7.4778 128.1235 51.5906 18.0688 177.2407 148 K 4.1007 8.4420 121.4641 57.4547 32.3042 176.6667 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 3 Q 8.44 4.22 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 4 L 8.43 3.91 0.00 1.73 1.54 0.92 0.60 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 5 T 8.85 4.05 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 1.25 0.00 0.00 6 E 8.98 3.85 0.00 2.19 2.20 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 2.35 2.38 0.00 7 E 8.26 4.00 0.00 2.03 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 2.39 2.40 0.00 8 Q 7.91 3.99 0.00 1.95 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.54 0.00 0.00 0.00 0.00 0.00 1.82 2.06 0.00 9 I 8.62 3.91 1.97 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.82 0.90 0.00 0.00 10 A 8.03 4.01 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 11 E 8.02 4.08 0.00 2.26 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 0.00 2.42 2.66 0.00 12 F 8.85 4.82 0.00 3.18 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 13 K 7.99 4.46 0.00 1.97 2.00 0.00 1.80 0.00 0.00 1.92 0.00 0.00 3.05 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.53 1.74 7.81 14 E 8.61 4.33 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.56 0.00 15 A 7.91 4.69 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 16 F 8.08 3.59 0.00 3.31 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 17 S 9.02 4.07 0.00 4.16 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.41 4.05 0.00 1.90 1.95 0.89 0.49 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 19 F 7.41 4.48 0.00 2.84 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 20 D 8.05 4.41 0.00 2.35 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 K 8.16 3.73 0.00 1.71 1.80 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.41 1.51 7.81 22 D 8.55 4.53 0.00 2.84 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 23 G 7.43 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 24 D 8.31 4.30 0.00 2.76 2.59 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 25 G 7.07 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.19 5.39 4.29 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 1.18 0.00 0.00 27 I 8.68 4.84 1.61 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 1.41 0.60 -0.10 0.00 0.00 28 T 9.83 4.60 4.20 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 1.17 0.00 0.00 29 T 8.39 3.81 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 30 K 8.06 3.80 0.00 1.80 1.86 0.00 1.55 0.00 0.00 1.79 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.60 7.81 31 E 7.97 3.85 0.00 2.09 1.84 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 2.39 2.28 0.00 32 L 8.02 3.89 0.00 1.79 1.87 1.03 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.97 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 34 T 7.69 3.74 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 1.18 0.00 0.00 35 V 7.66 2.80 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 0.53 0.00 0.00 0.54 0.00 0.00 36 M 7.89 4.06 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.78 0.00 37 R 8.40 4.73 0.00 1.75 1.95 0.00 3.07 0.00 0.00 3.27 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 38 S 7.52 4.20 0.00 3.96 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 39 L 7.94 4.34 0.00 1.75 1.64 0.62 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.78 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 7.38 4.53 0.00 2.02 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.86 0.00 0.00 0.00 0.00 0.00 2.16 2.13 0.00 42 N 8.42 5.11 0.00 2.75 2.74 0.00 0.00 6.04 7.75 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 43 P 0.00 4.26 0.00 2.18 2.11 0.00 3.74 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 44 T 8.17 3.94 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 1.28 0.00 0.00 45 E 8.85 4.02 0.00 1.97 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 2.30 2.31 0.00 46 A 8.43 4.56 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 47 E 9.64 4.08 0.00 2.01 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 2.30 2.24 0.00 48 L 7.83 4.17 0.00 1.76 1.67 0.92 0.69 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 49 Q 7.68 4.41 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 50 D 7.47 4.33 0.00 2.74 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 51 M 7.93 4.22 0.00 2.08 2.14 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 2.70 2.60 0.00 52 I 7.66 3.80 1.91 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 1.54 1.66 1.05 0.00 0.00 53 N 8.79 4.38 0.00 2.73 2.87 0.00 0.00 7.23 7.53 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 54 E 7.57 4.24 0.00 2.32 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 55 V 7.68 4.56 2.32 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 0.82 0.00 0.00 1.02 0.00 0.00 56 D 7.74 4.69 0.00 2.75 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 7.89 4.74 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 58 D 7.72 5.16 0.00 2.71 2.59 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 59 G 8.68 3.75 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 0.00 0.00 0.00 60 N 8.20 4.45 0.00 2.84 2.90 0.00 0.00 6.96 8.30 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 61 G 7.32 3.38 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 62 T 7.66 5.42 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 1.21 0.00 0.00 63 I 8.22 4.79 2.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.45 0.98 0.00 0.00 64 D 8.42 5.13 0.00 2.84 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 65 F 8.88 3.09 0.00 2.87 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 66 P 0.00 4.56 0.00 2.17 2.17 0.00 4.20 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 67 E 9.31 4.32 0.00 2.06 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 2.33 2.70 0.00 68 F 8.63 4.38 0.00 3.07 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 69 L 8.02 4.00 0.00 1.69 1.69 0.95 0.91 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 70 T 7.85 4.11 4.40 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 1.20 0.00 0.00 71 M 8.05 3.71 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.59 0.00 72 M 7.46 4.56 0.00 2.35 2.05 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.83 0.00 73 A 7.61 4.66 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 74 R 7.42 4.24 0.00 1.81 2.01 0.00 3.30 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 75 K 7.93 4.34 0.00 1.69 1.80 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.39 7.81 76 M 9.14 4.52 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 77 K 8.04 4.11 0.00 1.72 1.79 0.00 1.64 0.00 0.00 1.61 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.48 7.81 78 D 7.29 4.68 0.00 2.66 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 79 T 7.70 3.92 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 1.26 0.00 0.00 80 D 8.39 4.82 0.00 2.70 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.01 4.52 0.00 4.14 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 82 E 8.36 3.94 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 83 E 7.91 3.97 0.00 2.32 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 84 E 8.14 3.96 0.00 2.27 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 2.54 0.00 85 I 7.75 3.90 2.12 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 1.40 1.22 0.87 0.00 0.00 86 R 8.60 4.37 0.00 1.68 2.13 0.00 2.94 0.00 0.00 2.93 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.33 0.00 87 E 8.46 4.04 0.00 2.13 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 2.39 2.64 0.00 88 A 8.31 4.34 1.73 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 0.00 0.00 89 F 8.58 3.72 0.00 3.78 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 90 R 8.10 4.00 0.00 2.04 2.07 0.00 3.25 0.00 0.00 3.20 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.97 0.00 91 V 7.90 3.66 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 0.37 0.00 0.00 0.89 0.00 0.00 92 F 8.09 4.05 0.00 2.60 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 93 D 7.32 4.51 0.00 1.88 2.37 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 94 K 7.80 4.01 0.00 1.95 1.87 0.00 1.76 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.62 1.39 7.81 95 D 7.92 4.38 0.00 2.74 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 96 G 7.94 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 0.00 0.00 0.00 0.00 97 N 8.71 4.71 0.00 3.06 3.17 0.00 0.00 6.92 7.05 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 98 G 8.44 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 0.00 0.00 0.00 99 Y 7.79 5.06 0.00 2.80 2.87 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 0.00 100 I 9.62 4.48 1.81 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.08 0.75 0.00 0.00 101 S 10.27 4.72 0.00 3.77 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 0.00 102 A 8.83 4.16 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 0.00 103 A 8.08 3.94 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 0.00 104 E 8.03 3.99 0.00 2.40 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 105 L 8.34 4.07 0.00 1.75 1.94 0.95 0.84 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 0.00 106 R 7.94 3.88 0.00 2.23 1.94 0.00 3.19 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 107 H 8.10 4.11 0.00 3.13 3.49 0.00 5.99 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 0.00 108 V 7.78 3.87 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 0.32 0.00 0.00 0.65 0.00 0.00 109 M 8.22 4.19 0.00 2.14 2.36 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 3.02 0.00 110 T 7.75 4.76 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 1.35 0.00 0.00 111 N 7.73 4.57 0.00 2.65 2.83 0.00 0.00 6.85 6.61 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 0.00 112 L 7.56 4.16 0.00 1.64 1.68 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 113 G 8.09 3.85 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 0.00 0.00 0.00 114 E 7.91 4.30 0.00 2.08 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 2.27 2.33 0.00 115 K 8.60 4.35 0.00 1.80 1.78 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.41 7.81 116 L 8.16 4.66 0.00 1.64 1.59 0.97 0.95 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 0.00 117 T 8.25 4.15 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 1.29 0.00 0.00 118 D 8.84 4.45 0.00 2.71 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.50 4.35 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.48 0.00 120 E 7.81 4.31 0.00 2.00 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 2.33 2.32 0.00 121 V 7.55 3.70 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 1.15 0.00 0.00 0.96 0.00 0.00 122 D 8.22 4.46 0.00 2.84 2.76 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 0.00 123 Q 7.89 3.98 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.69 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 124 M 8.54 3.87 0.00 2.06 2.05 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 2.87 2.63 0.00 125 I 8.03 3.61 2.02 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 1.42 1.12 0.95 0.00 0.00 126 R 8.09 3.79 0.00 2.25 1.95 0.00 3.10 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 127 E 8.13 4.08 0.00 2.03 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 2.33 2.33 0.00 128 A 7.30 4.37 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 0.00 129 D 7.51 4.67 0.00 2.85 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 I 9.99 4.25 1.88 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 1.36 0.90 0.91 0.00 0.00 131 D 8.41 4.74 0.00 2.80 2.76 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 0.00 132 G 8.45 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 0.00 133 D 8.03 4.33 0.00 2.77 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 0.00 134 G 8.81 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 135 Q 7.75 4.80 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.54 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 136 V 8.49 4.93 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 0.90 0.00 0.00 1.03 0.00 0.00 137 N 8.41 5.27 0.00 2.38 2.75 0.00 0.00 6.42 7.45 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 0.00 138 Y 7.97 3.44 0.00 2.03 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 E 8.26 3.57 0.00 2.33 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 140 E 9.38 4.02 0.00 2.33 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 0.00 2.53 2.45 0.00 141 F 8.44 4.39 0.00 3.25 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 0.00 142 V 8.11 3.26 1.82 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 0.80 0.00 0.00 -0.21 0.00 0.00 143 Q 7.75 3.88 0.00 2.18 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.41 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 144 M 7.90 3.79 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.71 0.00 145 M 7.79 3.86 0.00 1.82 1.49 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.35 0.00 146 T 5.79 3.75 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 1.16 0.00 0.00 147 A 7.48 3.83 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 0.00 148 K 8.44 4.10 0.00 1.81 1.67 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.41 7.81