NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 D 4.5683 8.2233 120.1873 52.9028 41.2959 175.3691 5 P 4.0894 0.0000 0.0000 64.7730 31.5141 176.2714 6 I 3.7645 8.2179 120.7561 63.8072 37.2945 177.6231 7 A 3.9199 7.8742 121.8145 55.2330 18.1407 178.7610 8 D 4.5436 8.1490 115.9483 57.9313 41.1126 177.9508 9 M 3.9725 7.6000 117.6458 58.9341 32.1478 178.2810 10 L 3.9330 7.9307 118.6570 58.1009 41.7606 179.4307 11 T 3.8787 8.7660 116.8639 66.8993 68.3768 176.8010 12 R 3.9363 8.7334 120.1805 59.2660 29.9972 178.9760 13 I 3.6444 7.7875 119.6042 64.3991 37.0347 178.0768 14 R 3.8646 8.4081 119.7025 59.9048 29.7877 178.2856 15 N 4.4705 8.6491 116.2659 56.2741 38.7629 177.4011 16 G 3.8892 8.4473 107.5668 48.4269 0.0000 175.5428 17 Q 4.2407 8.3709 119.0205 58.1901 28.8453 178.1135 18 A 4.2403 7.7659 121.1621 53.8475 18.4264 178.4555 19 A 4.5974 7.7420 117.0570 51.0213 19.4938 176.1011 20 N 4.6619 8.2240 112.7658 53.5897 36.4846 174.5363 21 K 4.0285 7.8948 117.1117 56.7279 32.8677 177.2590 22 A 4.4748 8.7697 124.9025 54.5487 19.4778 176.9521 23 A 5.2015 7.9194 114.2639 50.5289 22.8249 176.0849 24 V 4.5616 8.7567 112.4605 59.7684 35.3948 174.8801 25 T 5.2931 8.4372 117.9463 60.8607 70.5330 172.2583 26 M 4.8187 8.8413 122.9495 53.3687 35.3005 171.9613 27 P 4.7469 0.0000 0.0000 63.0881 31.8766 176.6298 28 S 4.6994 8.3497 119.2309 57.9460 63.9140 172.7190 29 S 4.6926 8.1269 116.3609 55.6993 66.1043 175.2947 30 K 3.9735 8.6316 119.6632 59.4449 31.6392 179.3973 31 L 3.9128 7.8255 120.1695 58.0221 42.0478 178.9730 32 K 3.8990 8.4332 118.9190 59.5156 31.9907 179.5223 33 V 3.3706 7.8164 118.2515 65.6105 31.4657 178.0378 34 A 3.8912 8.1024 120.9325 55.1096 18.1876 179.5142 35 I 3.5620 8.0288 118.5626 64.5025 37.1930 178.4219 36 A 3.7886 7.9791 121.8232 55.1133 18.0902 179.0803 37 N 4.3123 7.6788 115.4478 56.8262 38.9610 177.2957 38 V 3.9629 7.5821 120.6034 65.6233 31.4909 177.9631 39 L 4.1849 7.9456 117.5652 57.4840 41.4230 179.2212 40 K 4.2370 7.6462 118.3852 59.1988 32.5565 178.0442 41 E 4.3914 8.1375 118.9166 58.5871 29.5701 177.0393 42 E 4.4693 8.4734 122.6419 55.3243 29.1049 176.2912 43 G 3.9455 7.7504 120.2490 45.9660 0.0000 172.3317 44 F 4.7499 9.0805 117.5792 57.8046 40.5385 176.7977 45 I 4.7066 7.3582 112.2048 59.2575 40.1590 175.1774 46 E 4.1457 9.2744 125.9846 59.1250 29.7568 176.1200 47 D 4.8625 7.8424 116.9890 53.1122 44.8274 173.1700 48 F 6.1553 8.2548 116.6013 54.1458 41.2700 173.8546 49 K 4.6892 8.5396 117.5389 55.9241 36.0731 174.3016 50 V 4.7731 8.2512 120.8729 61.3530 33.1090 175.8003 51 E 4.3370 8.8469 133.2087 55.9641 31.5437 176.6940 52 G 4.0143 8.6977 106.6926 45.4082 0.0000 171.6611 53 D 4.8482 8.4677 121.7356 53.3887 43.8009 177.2394 54 T 3.5844 8.6680 122.7083 64.9497 67.5907 173.2534 55 K 4.5003 7.4630 120.3838 53.9975 31.6261 173.1059 56 P 4.6192 0.0000 0.0000 61.9842 33.4119 175.2409 57 E 4.9674 8.6771 121.3214 54.5119 33.1988 174.4224 58 L 4.8896 9.5278 127.5528 53.9093 44.1148 174.7106 59 E 5.0617 9.3731 126.5360 54.7801 31.8953 174.7753 60 L 5.2524 9.1733 124.8156 53.2946 44.8585 175.6993 61 T 4.8692 9.2554 121.3538 62.0781 69.5166 174.7733 62 L 4.5721 8.4244 126.7092 54.4542 42.8335 176.5735 63 K 4.7292 8.1278 120.3575 54.9663 36.0440 174.5030 64 Y 5.4848 8.3670 121.7986 55.4577 41.4648 174.8625 65 F 4.5528 8.7960 127.4571 57.5454 38.3540 175.0386 66 Q 3.5550 9.2158 126.8877 57.0157 26.1163 174.5376 67 G 4.1364 8.6749 103.1363 45.2596 0.0000 173.4273 68 K 4.7162 7.9826 118.8705 54.2062 35.3053 174.7422 69 A 4.7499 8.2990 122.7955 51.1172 20.0019 178.0103 70 V 3.6748 7.7844 122.1365 65.1076 31.8652 176.4429 71 V 4.1062 7.6130 119.4154 61.8880 30.7762 175.0440 72 E 4.2669 8.6993 128.3900 58.8297 30.0505 177.4692 73 S 4.6751 7.4619 111.1131 57.1409 66.3545 173.8343 74 I 4.8066 8.2695 122.0762 59.7448 40.4693 173.9421 75 Q 4.7621 8.8847 128.5264 53.9397 32.0689 175.6549 76 R 3.9596 8.4481 121.0068 56.4627 30.6783 174.7708 77 V 3.9445 8.1186 118.8816 63.9681 33.1497 175.0851 78 S 4.5237 8.0668 116.3944 57.6655 63.4134 173.4138 79 R 4.6445 8.6228 124.6773 53.1845 34.0456 172.8360 80 P 4.4371 0.0000 0.0000 63.7341 31.5866 175.0562 81 G 3.8996 8.5745 115.1673 45.9155 0.0000 173.7669 82 L 4.3752 7.9131 123.6497 53.4197 42.9844 173.7268 83 R 4.1102 8.1529 123.2372 55.5381 30.9994 176.2220 84 I 4.3669 8.0286 123.0243 59.6522 39.9001 174.2717 85 Y 5.4274 8.5286 123.5576 56.1972 42.0253 175.1015 86 K 4.9211 9.1973 120.5258 54.7053 36.7455 176.8627 87 R 4.3754 9.3634 123.5413 55.4361 30.7250 177.6170 88 K 3.9938 8.8375 120.6995 60.1055 31.9366 178.0529 89 D 4.5709 7.9909 114.8318 55.6785 41.1239 176.7726 90 E 4.3793 7.8993 117.5276 56.6386 30.1843 176.6985 91 L 4.2375 7.3505 118.3287 53.4766 42.2759 174.8594 92 P 4.0848 0.0000 0.0000 63.2598 31.5558 176.3591 93 K 4.4331 8.5822 123.4638 56.2695 32.5092 175.9823 94 V 3.5006 8.1408 113.6879 63.2373 29.4616 171.6948 95 M 4.1551 8.0185 116.0993 56.3275 32.1583 176.4369 96 A 4.0695 7.8600 122.7838 51.8169 18.7241 177.0777 97 G 4.0813 8.3476 113.7052 45.1664 0.0000 173.5658 98 L 4.9960 7.6208 129.3905 54.4690 43.8946 173.8800 99 G 3.9014 8.2166 106.2188 46.9815 0.0000 172.9592 100 I 4.8870 8.5197 117.0438 58.8430 40.7972 174.2926 101 A 5.2209 9.9827 127.6474 50.7996 21.4928 175.8571 102 V 4.5196 8.5652 121.0807 61.2349 33.8361 174.8227 103 V 4.8658 8.8825 127.6250 61.1275 35.0310 174.0437 104 S 4.9934 9.0958 123.3415 57.4255 63.3993 172.9223 105 T 5.0499 8.4948 117.7602 59.3664 71.7763 175.4400 106 S 4.3091 8.8717 115.5786 60.0000 62.8728 174.7817 107 K 4.3542 8.1468 119.5554 55.8159 32.7218 174.6552 108 G 3.9287 8.1033 106.2219 43.1290 0.0000 173.1227 109 V 4.5689 8.0869 120.3145 62.6354 32.2023 174.8507 110 M 4.9529 8.8644 124.5621 54.2497 35.4507 173.9820 111 T 4.7499 8.4412 109.1855 60.9805 70.5123 175.4550 112 D 4.4106 9.0027 122.6172 56.9439 38.6582 179.2076 113 R 3.9392 7.9908 118.6414 58.9608 30.2041 178.6720 114 A 4.0343 7.9895 120.3112 54.9319 18.3323 179.5876 115 A 3.9879 8.2028 119.4751 55.3135 18.3047 180.0384 116 R 3.8590 7.9539 116.4749 59.4462 29.9021 178.9362 117 Q 4.0341 7.6160 117.5609 58.2237 29.2203 176.8776 118 A 4.3835 7.7642 119.5098 51.4606 19.1172 177.0718 119 G 3.8165 7.7808 105.2607 46.6394 0.0000 173.8197 120 L 4.8296 8.1166 118.0607 52.4906 45.2772 177.4891 121 G 4.2099 8.9314 111.0700 46.2934 0.0000 171.8325 122 G 4.0000 7.6721 105.3155 46.4292 0.0000 170.7414 123 E 4.8678 8.1463 121.4616 55.7487 31.3099 176.4555 124 I 4.3368 8.4120 128.3152 60.6683 37.8168 176.6849 125 I 3.8192 8.7276 129.8351 63.9531 38.1840 175.9247 126 C 4.7534 7.4307 113.8152 57.8749 32.7687 171.8978 127 Y 5.3895 8.1459 116.8402 56.3526 40.2895 175.5739 128 V 4.6856 8.1220 123.2778 61.1754 35.2127 175.2962 129 A 4.2684 7.7847 124.7644 52.7640 19.4399 176.3354 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 4 D 8.22 4.57 0.00 2.66 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 5 P 0.00 4.09 0.00 2.25 2.10 0.00 3.62 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.22 0.00 6 I 8.22 3.76 1.92 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.85 0.86 0.00 0.00 7 A 7.87 3.92 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 8 D 8.15 4.54 0.00 2.70 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 M 7.60 3.97 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.58 0.00 10 L 7.93 3.93 0.00 1.79 1.65 0.84 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.77 3.88 4.36 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 1.20 0.00 0.00 12 R 8.73 3.94 0.00 2.05 1.98 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 13 I 7.79 3.64 1.99 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 1.41 0.82 0.89 0.00 0.00 14 R 8.41 3.86 0.00 1.96 2.12 0.00 3.08 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 15 N 8.65 4.47 0.00 2.82 2.85 0.00 0.00 6.89 7.32 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 16 G 8.45 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 8.37 4.24 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.96 0.00 0.00 0.00 0.00 0.00 2.35 2.55 0.00 18 A 7.77 4.24 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 19 A 7.74 4.60 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 20 N 8.22 4.66 0.00 2.80 2.65 0.00 0.00 7.30 7.61 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 21 K 7.89 4.03 0.00 1.97 1.97 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.58 7.81 22 A 8.77 4.47 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 23 A 7.92 5.20 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 24 V 8.76 4.56 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 0.74 0.00 0.00 0.96 0.00 0.00 25 T 8.44 5.29 4.27 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 1.23 0.00 0.00 26 M 8.84 4.82 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.68 0.00 27 P 0.00 4.75 0.00 1.96 2.03 0.00 3.67 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 28 S 8.35 4.70 0.00 3.85 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 29 S 8.13 4.69 0.00 3.97 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.63 3.97 0.00 1.78 1.89 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.53 1.44 7.81 31 L 7.83 3.91 0.00 1.73 1.64 0.90 0.67 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 32 K 8.43 3.90 0.00 1.99 1.79 0.00 1.84 0.00 0.00 1.55 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.42 7.81 33 V 7.82 3.37 2.18 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 0.95 0.00 0.00 0.96 0.00 0.00 34 A 8.10 3.89 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 35 I 8.03 3.56 1.95 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 1.41 0.63 0.85 0.00 0.00 36 A 7.98 3.79 0.72 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 0.00 0.00 37 N 7.68 4.31 0.00 2.81 2.94 0.00 0.00 6.89 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 V 7.58 3.96 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 1.33 0.00 0.00 0.94 0.00 0.00 39 L 7.95 4.18 0.00 1.94 1.83 0.88 1.05 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 40 K 7.65 4.24 0.00 2.18 2.12 0.00 1.87 0.00 0.00 1.92 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.63 7.81 41 E 8.14 4.39 0.00 2.27 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 2.44 0.00 42 E 8.47 4.47 0.00 2.27 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 2.61 2.54 0.00 43 G 7.75 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 44 F 9.08 4.75 0.00 3.15 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 45 I 7.36 4.71 2.08 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.73 0.97 0.00 0.00 46 E 9.27 4.15 0.00 2.02 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 2.27 0.00 47 D 7.84 4.86 0.00 2.77 2.40 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 48 F 8.25 6.16 0.00 3.13 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 49 K 8.54 4.69 0.00 1.78 1.80 0.00 1.42 0.00 0.00 1.72 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.44 7.81 50 V 8.25 4.77 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 0.87 0.00 0.00 1.04 0.00 0.00 51 E 8.85 4.34 0.00 2.20 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 52 G 8.70 4.01 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 0.00 0.00 0.00 53 D 8.47 4.85 0.00 2.63 2.55 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 0.00 54 T 8.67 3.58 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 1.21 0.00 0.00 55 K 7.46 4.50 0.00 1.68 1.70 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.42 7.81 56 P 0.00 4.62 0.00 2.13 1.96 0.00 3.59 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 57 E 8.68 4.97 0.00 1.89 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 0.00 2.29 2.27 0.00 58 L 9.53 4.89 0.00 1.68 1.65 1.03 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 59 E 9.37 5.06 0.00 2.09 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 2.28 2.30 0.00 60 L 9.17 5.25 0.00 1.57 1.62 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 61 T 9.26 4.87 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 1.26 0.00 0.00 62 L 8.42 4.57 0.00 1.65 1.45 1.09 0.60 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 63 K 8.13 4.73 0.00 1.75 1.53 0.00 1.64 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.44 7.81 64 Y 8.37 5.48 0.00 3.09 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 F 8.80 4.55 0.00 3.16 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 66 Q 9.22 3.55 0.00 2.42 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.71 0.00 0.00 0.00 0.00 0.00 2.20 2.14 0.00 67 G 8.67 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 K 7.98 4.72 0.00 2.05 1.80 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.41 7.81 69 A 8.30 4.75 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 70 V 7.78 3.67 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 0.78 0.00 0.00 0.97 0.00 0.00 71 V 7.61 4.11 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 0.78 0.00 0.00 1.04 0.00 0.00 72 E 8.70 4.27 0.00 2.21 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 2.32 2.31 0.00 73 S 7.46 4.68 0.00 3.85 3.90 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 74 I 8.27 4.81 1.76 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.85 0.86 0.00 0.00 75 Q 8.88 4.76 0.00 1.96 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.76 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 76 R 8.45 3.96 0.00 1.61 1.75 0.00 3.18 0.00 0.00 3.09 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 77 V 8.12 3.94 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 0.48 0.00 0.00 -0.27 0.00 0.00 78 S 8.07 4.52 0.00 3.82 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 79 R 8.62 4.64 0.00 1.80 1.68 0.00 3.12 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.61 0.00 80 P 0.00 4.44 0.00 2.15 2.06 0.00 3.83 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 81 G 8.57 3.90 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 0.00 0.00 0.00 82 L 7.91 4.38 0.00 1.60 1.43 0.88 1.00 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 83 R 8.15 4.11 0.00 1.76 1.48 0.00 3.36 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.41 0.00 84 I 8.03 4.37 1.68 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 1.22 1.03 0.84 0.00 0.00 85 Y 8.53 5.43 0.00 2.74 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 K 9.20 4.92 0.00 1.64 1.68 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.60 7.81 87 R 9.36 4.38 0.00 1.88 1.86 0.00 3.17 0.00 0.00 3.10 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 88 K 8.84 3.99 0.00 1.79 1.85 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.53 1.48 7.81 89 D 7.99 4.57 0.00 2.72 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 90 E 7.90 4.38 0.00 2.25 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 2.31 2.28 0.00 91 L 7.35 4.24 0.00 1.67 1.62 1.08 1.02 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 92 P 0.00 4.08 0.00 2.17 1.94 0.00 3.66 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 93 K 8.58 4.43 0.00 1.66 1.74 0.00 1.69 0.00 0.00 1.63 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.44 7.81 94 V 8.14 3.50 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 0.82 0.00 0.00 0.93 0.00 0.00 95 M 8.02 4.16 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 96 A 7.86 4.07 1.17 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 0.00 0.00 97 G 8.35 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 98 L 7.62 5.00 0.00 1.61 1.72 0.91 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 99 G 8.22 3.90 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 0.00 0.00 0.00 100 I 8.52 4.89 1.94 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.91 1.08 0.00 0.00 101 A 9.98 5.22 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 0.00 102 V 8.57 4.52 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 0.90 0.00 0.00 0.92 0.00 0.00 103 V 8.88 4.87 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 0.97 0.00 0.00 0.97 0.00 0.00 104 S 9.10 4.99 0.00 3.94 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 0.00 105 T 8.49 5.05 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 106 S 8.87 4.31 0.00 4.00 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 0.00 107 K 8.15 4.35 0.00 1.77 1.84 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.37 1.49 7.81 108 G 8.10 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 0.00 109 V 8.09 4.57 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 0.82 0.00 0.00 0.92 0.00 0.00 110 M 8.86 4.95 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.68 0.00 111 T 8.44 4.75 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 112 D 9.00 4.41 0.00 2.91 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 0.00 113 R 7.99 3.94 0.00 1.89 2.03 0.00 3.13 0.00 0.00 3.36 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 114 A 7.99 4.03 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 0.00 115 A 8.20 3.99 1.45 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 0.00 0.00 0.00 116 R 7.95 3.86 0.00 2.17 2.00 0.00 3.13 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 117 Q 7.62 4.03 0.00 2.21 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.88 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 118 A 7.76 4.38 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 0.00 119 G 7.78 3.82 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 0.00 0.00 0.00 120 L 8.12 4.83 0.00 1.60 1.55 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.93 4.21 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 0.00 122 G 7.67 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 0.00 0.00 0.00 123 E 8.15 4.87 0.00 2.33 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 2.17 2.13 0.00 124 I 8.41 4.34 1.80 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.88 0.92 0.00 0.00 125 I 8.73 3.82 1.95 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 1.24 0.72 0.85 0.00 0.00 126 C 7.43 4.75 0.00 3.06 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 0.00 127 Y 8.15 5.39 0.00 2.90 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 0.00 128 V 8.12 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 -0.01 0.00 0.00 0.70 0.00 0.00 129 A 7.78 4.27 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00