NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2787 8.1727 122.0575 56.3656 34.0362 173.9165 2 Q 4.6022 8.7745 129.2427 54.8207 29.5847 173.5496 3 L 4.7386 8.9743 127.7193 53.8871 44.4118 175.3736 4 T 4.5993 7.9508 109.5906 59.7684 71.6621 175.3183 5 K 3.3967 8.7336 122.8285 60.0187 31.6913 179.5712 6 C 4.4041 8.3329 117.1353 59.4978 40.6206 175.8502 7 A 3.8716 7.9857 122.4347 54.8147 17.9575 179.4697 8 L 3.8290 8.0040 119.3568 58.2403 42.2598 179.2844 9 S 4.1919 8.3924 114.5929 61.8056 62.5800 176.4142 10 H 4.2709 7.9137 118.4997 58.7758 28.3696 177.4799 11 E 4.1626 8.1877 118.3311 58.1222 29.4714 178.1577 12 L 4.5044 7.6091 118.7333 54.2372 41.6925 177.5893 13 N 4.2152 7.7096 119.0469 55.8931 37.0062 175.4410 14 D 4.5462 7.9065 115.1411 54.5253 42.1668 176.3221 15 L 4.0613 8.0093 120.5406 57.3851 42.6574 176.6099 16 A 4.4255 7.9120 120.2554 54.1998 18.7691 176.7664 17 G 4.1062 9.6229 111.5889 45.5218 0.0000 173.1967 18 Y 4.2473 8.2480 121.8135 58.7169 39.0816 175.8526 19 R 3.7954 8.7394 124.9432 57.2571 27.7881 175.7521 20 D 4.3952 7.8835 113.3673 55.2907 39.1984 173.6518 21 I 4.0886 7.4974 120.6441 60.0907 37.9349 176.1739 22 T 4.4739 8.0660 116.3710 60.8156 70.9455 175.2525 23 L 4.1184 8.4908 123.1978 58.0166 42.2089 177.4114 24 P 4.1436 0.0000 0.0000 65.6742 31.0041 177.9497 25 E 3.6648 7.6828 117.7607 58.8126 29.4584 178.8456 26 W 4.2130 8.0754 118.9799 59.7993 29.1492 178.5399 27 L 4.1841 8.2757 119.1772 57.7681 41.0271 178.8117 28 C 2.0000 7.6354 118.3254 58.8562 44.4133 175.5511 29 I 3.5321 7.6245 121.6061 64.5890 36.6559 178.4855 30 I 3.7210 8.2030 120.8750 64.3334 36.9330 178.2781 31 F 3.3919 8.1839 121.4156 61.3785 38.9292 176.9305 32 H 3.9560 8.0146 114.9608 58.4830 28.6159 177.2363 33 I 4.1705 7.8224 113.2212 62.0458 38.3003 176.4679 34 S 4.4247 8.0590 112.3545 56.4717 64.6541 174.7432 35 G 3.0595 8.3610 108.6306 46.6216 0.0000 173.5260 36 Y 3.8330 7.5046 113.0586 58.5538 36.0772 168.3595 37 D 5.2572 7.9287 120.9521 52.7350 41.8926 177.1662 38 T 3.9731 8.9149 118.5915 63.8360 69.7307 175.5646 39 Q 4.4914 8.1866 119.9219 55.5723 29.6294 175.7222 40 A 4.2224 7.9584 122.4609 52.1944 19.5940 177.5646 41 I 4.8145 8.1893 121.7922 59.5107 41.0458 174.8030 42 V 4.2998 8.3316 126.7920 60.7851 34.2590 174.0043 43 K 4.4433 8.6148 129.2916 55.6870 33.1481 175.3843 44 N 5.0406 8.5386 125.8519 51.0466 41.2655 173.9473 45 S 4.1867 8.4830 112.7239 61.5500 63.0344 175.7896 46 D 4.9944 8.1613 120.6631 50.5649 39.6786 174.5085 47 H 4.6342 6.9164 115.2045 56.9349 30.9243 173.6995 48 K 5.0101 9.1243 117.6098 54.5707 36.2843 175.2793 49 E 5.3277 8.7046 121.5219 54.8963 32.6234 174.7541 50 Y 5.0057 9.2595 121.6728 57.3374 41.7870 177.6334 51 G 4.5676 9.0227 111.8477 44.1526 0.0000 173.4376 52 L 3.7849 8.7083 119.2848 58.0233 41.7635 178.4375 53 F 4.7909 8.2577 113.2704 56.7535 39.8334 175.2797 54 Q 3.5548 8.1092 119.4264 57.0334 26.7297 174.3279 55 I 4.4195 8.1690 118.9547 60.9315 38.9483 177.5228 56 N 5.9663 9.7598 125.1315 52.0571 39.0061 175.0072 57 D 5.4955 8.7912 118.8150 53.2335 40.1549 176.9993 58 K 4.1531 8.4282 122.3091 59.3073 32.9558 177.8579 59 D 4.4329 9.0351 118.5406 54.4727 43.5838 178.0223 60 F 4.7020 8.2274 116.1589 58.5178 41.0951 174.9188 61 C 5.4466 8.4843 111.8268 53.4267 43.0862 172.6144 62 E 4.8560 8.9393 121.9608 54.9420 30.4438 175.5048 63 S 4.5529 8.5562 121.7840 56.8769 64.9416 175.0195 64 S 4.5322 8.0254 118.4946 57.4246 61.3856 172.7638 65 T 4.5572 7.0724 109.5472 61.2421 71.5273 175.0880 66 T 4.4160 8.4527 114.3080 61.8623 69.0268 174.1379 67 V 3.7930 7.5447 122.5688 62.6951 31.9879 175.8002 68 Q 4.2110 8.5956 126.7205 55.3179 28.1330 174.9682 69 S 4.8749 8.1871 117.7607 56.3211 64.0469 174.3312 70 R 3.8166 8.3712 127.0066 57.3596 30.4466 175.8599 71 N 4.1712 7.9424 115.6193 54.2958 37.7275 175.0132 72 I 3.7065 8.2267 120.4624 64.9457 37.7307 177.6328 73 C 4.3896 8.3439 115.0943 57.2483 40.7185 172.6749 74 D 4.4725 7.9641 118.6585 53.3327 39.6286 172.9848 75 I 4.6032 6.8708 117.7286 59.4916 41.9589 173.7004 76 S 4.6922 8.4638 122.8202 58.3441 63.5865 176.2600 77 C 4.2201 8.9193 122.5213 59.7204 35.2496 176.2583 78 D 4.0819 7.9008 120.4259 56.0557 38.7551 178.1115 79 K 4.2345 7.7271 117.8704 57.8351 32.2180 177.3598 80 L 4.8851 7.9009 119.2383 54.6177 41.7562 177.4322 81 L 4.8860 7.6680 117.9665 54.4585 43.0163 176.2253 82 D 4.7464 7.8070 118.4228 52.2885 41.2802 175.5882 83 D 4.5345 8.4973 117.1546 53.5470 39.7073 175.5015 84 D 4.6441 7.8630 120.3142 53.3686 41.0788 176.4118 85 L 4.5556 8.3093 126.3600 55.3443 42.0768 178.5049 86 T 3.8219 8.2413 117.9181 67.0324 68.5274 175.9404 87 D 4.3629 8.0007 120.1065 56.2449 39.5244 177.9577 88 D 4.3312 8.0573 119.8787 57.5133 40.8757 178.6497 89 I 3.2011 7.9873 120.4770 64.2679 36.9218 178.1114 90 M 3.8152 7.6235 118.6129 58.8352 31.9647 177.5644 91 C 4.2133 8.0676 118.5401 59.4342 42.6110 175.5304 92 V 3.4468 7.7322 120.3409 65.9460 30.9806 178.1532 93 K 3.7084 7.9463 118.3503 59.2863 31.7558 179.4661 94 K 4.0316 7.6851 118.3889 59.5454 31.9800 179.5072 95 I 3.4616 7.9072 120.2962 64.2081 36.8965 178.4280 96 L 4.3471 8.5115 120.2855 58.1304 41.2615 179.4005 97 D 4.4867 8.2655 117.9852 57.1553 40.7916 178.4040 98 I 4.0649 7.5957 119.6439 63.6392 37.5976 177.7529 99 K 4.3642 8.7621 118.5088 55.7609 33.0900 177.9597 100 G 4.2660 8.0308 105.5646 45.7524 0.0000 173.6056 101 I 4.2111 8.2716 116.8219 63.8048 37.5831 177.0333 102 D 4.3952 8.3596 119.3818 57.6341 40.2867 177.7512 103 Y 3.8018 7.9332 119.4627 60.2153 38.6627 177.8363 104 W 4.2971 8.2998 118.3906 59.2879 29.9502 178.4870 105 L 4.0366 8.1161 118.2587 55.6369 41.4529 177.2297 106 A 3.5936 8.8639 120.1034 53.7133 16.4938 176.4773 107 H 4.0976 7.9893 110.9038 57.4620 26.6613 175.5369 108 K 4.5532 7.6731 118.2603 54.4437 33.8412 174.6221 109 P 4.6574 0.0000 0.0000 62.4761 31.6532 176.2519 110 L 4.0042 7.6114 119.2164 57.2925 40.9029 176.9873 111 C 4.1211 8.5529 115.4177 58.6045 37.4974 174.1244 112 S 4.3866 8.1822 113.3460 58.3007 64.6718 173.6005 113 D 5.0090 7.6406 119.2726 52.7220 44.1282 175.0030 114 K 4.4827 8.6116 116.0398 55.8044 30.0808 177.4509 115 L 4.3039 7.4610 120.1292 57.6242 41.0954 178.4244 116 E 4.1593 8.2487 116.8131 58.7355 29.4020 178.7151 117 Q 3.9924 8.2061 118.8572 58.0155 28.7626 177.4224 118 W 4.4893 7.8009 117.9511 56.3892 29.7810 176.3026 119 Y 4.4858 6.9607 117.4408 57.9885 38.1231 175.5302 120 C 4.4586 9.2431 123.9420 59.5945 43.4876 172.9845 121 E 4.6789 7.4998 119.2378 56.7402 36.8775 175.5951 122 A 4.1989 7.2278 123.3230 52.9596 20.1214 177.2180 123 Q 4.1816 7.5211 115.7366 55.7250 29.9128 175.4950 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 K 8.17 4.28 0.00 1.92 1.77 0.00 1.57 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.52 7.81 2 Q 8.77 4.60 0.00 2.21 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.61 0.00 3 L 8.97 4.74 0.00 1.55 1.49 0.87 0.81 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 4 T 7.95 4.60 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 1.23 0.00 0.00 5 K 8.73 3.40 0.00 1.96 1.88 0.00 2.10 0.00 0.00 2.01 0.00 0.00 2.97 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.60 1.72 7.81 6 C 8.33 4.40 0.00 2.99 3.11 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 7 A 7.99 3.87 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 8 L 8.00 3.83 0.00 1.57 1.55 0.79 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 9 S 8.39 4.19 0.00 4.14 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 H 7.91 4.27 0.00 3.46 3.40 0.00 5.81 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.19 4.16 0.00 1.92 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 2.50 0.00 12 L 7.61 4.50 0.00 1.88 1.63 0.92 0.47 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 13 N 7.71 4.22 0.00 2.76 3.08 0.00 0.00 6.77 9.05 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 14 D 7.91 4.55 0.00 2.61 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 15 L 8.01 4.06 0.00 1.48 1.56 0.58 -0.38 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 16 A 7.91 4.43 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 17 G 9.62 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 18 Y 8.25 4.25 0.00 3.18 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.74 3.80 0.00 2.07 1.99 0.00 3.54 0.00 0.00 3.07 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.64 0.00 20 D 7.88 4.40 0.00 2.82 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 21 I 7.50 4.09 1.83 0.00 0.00 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 1.62 0.66 -0.08 0.00 0.00 22 T 8.07 4.47 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 1.22 0.00 0.00 23 L 8.49 4.12 0.00 1.83 1.84 1.08 0.91 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 24 P 0.00 4.14 0.00 2.21 1.47 0.00 3.65 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.55 0.00 25 E 7.68 3.66 0.00 1.93 1.85 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 1.90 2.11 0.00 26 W 8.08 4.21 0.00 3.55 3.11 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 27 L 8.28 4.18 0.00 1.92 2.00 1.11 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 28 C 7.64 2.00 0.00 1.26 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 29 I 7.62 3.53 1.83 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 1.36 0.27 0.98 0.00 0.00 30 I 8.20 3.72 2.12 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.04 0.98 0.00 0.00 31 F 8.18 3.39 0.00 2.72 2.97 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 32 H 8.01 3.96 0.00 3.26 3.32 0.00 5.89 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 33 I 7.82 4.17 1.96 0.00 0.00 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 1.87 0.63 1.01 0.00 0.00 34 S 8.06 4.42 0.00 4.06 4.12 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 35 G 8.36 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 0.00 0.00 0.00 36 Y 7.50 3.83 0.00 3.37 3.10 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 0.00 37 D 7.93 5.26 0.00 2.79 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 38 T 8.91 3.97 4.41 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 1.21 0.00 0.00 39 Q 8.19 4.49 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.86 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 40 A 7.96 4.22 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 41 I 8.19 4.81 1.79 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 1.24 0.92 0.49 0.00 0.00 42 V 8.33 4.30 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 0.96 0.00 0.00 0.95 0.00 0.00 43 K 8.61 4.44 0.00 1.74 1.63 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.41 7.81 44 N 8.54 5.04 0.00 2.29 2.58 0.00 0.00 7.05 7.11 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 45 S 8.48 4.19 0.00 3.97 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 46 D 8.16 4.99 0.00 2.79 2.75 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 47 H 6.92 4.63 0.00 3.54 3.52 0.00 5.39 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 9.12 5.01 0.00 1.59 1.20 0.00 1.41 0.00 0.00 1.57 0.00 0.00 3.12 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.26 1.38 7.81 49 E 8.70 5.33 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 50 Y 9.26 5.01 0.00 2.97 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 51 G 9.02 4.57 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 52 L 8.71 3.78 0.00 1.48 1.32 0.94 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.26 4.79 0.00 3.27 3.43 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 0.00 0.00 0.00 0.00 54 Q 8.11 3.55 0.00 2.42 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.83 0.00 0.00 0.00 0.00 0.00 2.55 2.65 0.00 55 I 8.17 4.42 2.07 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 1.33 0.83 1.02 0.00 0.00 56 N 9.76 5.97 0.00 3.14 3.18 0.00 0.00 6.53 7.35 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 57 D 8.79 5.50 0.00 2.85 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 58 K 8.43 4.15 0.00 1.83 1.94 0.00 1.54 0.00 0.00 1.73 0.00 0.00 2.77 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.44 7.81 59 D 9.04 4.43 0.00 1.58 1.69 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 60 F 8.23 4.70 0.00 3.12 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 C 8.48 5.45 0.00 3.10 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 62 E 8.94 4.86 0.00 2.16 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.22 0.00 63 S 8.56 4.55 0.00 3.92 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 64 S 8.03 4.53 0.00 3.88 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 T 7.07 4.56 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 1.28 0.00 0.00 66 T 8.45 4.42 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 1.22 0.00 0.00 67 V 7.54 3.79 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 0.87 0.00 0.00 0.98 0.00 0.00 68 Q 8.60 4.21 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.53 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 69 S 8.19 4.87 0.00 3.92 3.72 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 70 R 8.37 3.82 0.00 1.73 1.89 0.00 3.25 0.00 0.00 3.03 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.48 0.00 71 N 7.94 4.17 0.00 2.90 2.72 0.00 0.00 7.06 8.04 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 72 I 8.23 3.71 1.97 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.57 1.04 0.00 0.00 73 C 8.34 4.39 0.00 3.24 3.15 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 74 D 7.96 4.47 0.00 2.72 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 75 I 6.87 4.60 1.99 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 1.40 1.40 0.92 0.00 0.00 76 S 8.46 4.69 0.00 3.92 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 77 C 8.92 4.22 0.00 2.15 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 0.00 0.00 0.00 78 D 7.90 4.08 0.00 2.84 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 79 K 7.73 4.23 0.00 1.88 2.12 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.46 1.45 7.81 80 L 7.90 4.89 0.00 1.91 1.80 0.99 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 81 L 7.67 4.89 0.00 1.81 1.73 1.06 1.29 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 82 D 7.81 4.75 0.00 2.77 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 83 D 8.50 4.53 0.00 2.81 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 84 D 7.86 4.64 0.00 2.62 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 85 L 8.31 4.56 0.00 1.79 1.72 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 86 T 8.24 3.82 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 1.18 0.00 0.00 87 D 8.00 4.36 0.00 2.92 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 88 D 8.06 4.33 0.00 3.06 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 89 I 7.99 3.20 1.83 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.65 0.64 0.00 0.00 90 M 7.62 3.82 0.00 2.18 1.98 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.63 0.00 91 C 8.07 4.21 0.00 2.99 3.15 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 92 V 7.73 3.45 1.54 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 0.36 0.00 0.00 -0.37 0.00 0.00 93 K 7.95 3.71 0.00 1.66 1.30 0.00 1.32 0.00 0.00 0.91 0.00 0.00 2.32 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.30 1.01 7.81 94 K 7.69 4.03 0.00 1.92 1.89 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.66 7.81 95 I 7.91 3.46 1.83 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.13 -0.27 0.00 0.00 96 L 8.51 4.35 0.00 2.18 2.03 1.31 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 97 D 8.27 4.49 0.00 2.92 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 98 I 7.60 4.06 2.04 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 1.59 0.70 1.03 0.00 0.00 99 K 8.76 4.36 0.00 1.77 1.94 0.00 1.86 0.00 0.00 1.80 0.00 0.00 3.19 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.61 1.81 7.81 100 G 8.03 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 0.00 0.00 0.00 0.00 101 I 8.27 4.21 1.85 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.16 0.91 0.00 0.00 102 D 8.36 4.40 0.00 2.91 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 7.93 3.80 0.00 2.56 2.15 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 0.00 104 W 8.30 4.30 0.00 3.65 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 0.00 105 L 8.12 4.04 0.00 1.67 1.69 0.86 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.86 3.59 1.22 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 0.00 0.00 107 H 7.99 4.10 0.00 3.32 3.39 0.00 5.68 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 K 7.67 4.55 0.00 1.83 1.71 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.61 7.81 109 P 0.00 4.66 0.00 2.17 2.14 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 110 L 7.61 4.00 0.00 1.56 1.65 0.73 0.61 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 0.00 111 C 8.55 4.12 0.00 2.96 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 S 8.18 4.39 0.00 3.94 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 0.00 113 D 7.64 5.01 0.00 2.72 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 0.00 114 K 8.61 4.48 0.00 1.97 1.85 0.00 1.96 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.43 7.81 115 L 7.46 4.30 0.00 1.61 1.72 0.90 0.85 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 0.00 116 E 8.25 4.16 0.00 2.43 2.36 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 2.44 2.43 0.00 117 Q 8.21 3.99 0.00 1.94 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.92 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 118 W 7.80 4.49 0.00 3.27 3.25 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 0.00 119 Y 6.96 4.49 0.00 3.04 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 0.00 120 C 9.24 4.46 0.00 3.00 3.32 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 0.00 121 E 7.50 4.68 0.00 1.92 1.80 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 2.18 2.34 0.00 122 A 7.23 4.20 1.19 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 0.00 0.00 123 Q 7.52 4.18 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.60 0.00 0.00 0.00 0.00 0.00 2.47 2.56 0.00