NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 R 5.0995 7.5358 116.6692 54.7354 32.9839 178.2720 -1 G 3.6966 9.9754 107.9939 45.3084 0.0000 172.5966 0 S 4.6798 8.7803 117.5413 58.0409 69.4295 174.0969 1 M 4.1938 8.2062 119.8197 57.9489 31.6130 178.1588 2 A 4.3139 8.1223 122.3863 54.3245 18.5688 179.1100 3 L 3.6514 8.1303 118.3078 58.4251 42.2850 179.3567 4 K 4.0527 7.7955 118.1378 59.2329 31.8507 179.2899 5 R 4.0002 8.4551 119.6847 59.3997 29.8473 178.6799 6 I 3.4373 7.8177 119.6555 64.3750 37.0953 178.0444 7 Q 4.1043 8.1283 121.2696 59.8964 28.6383 180.3351 8 K 4.0250 8.5303 124.6310 59.9840 31.5110 180.7005 9 E 4.2774 8.2090 119.0328 58.8869 29.5819 179.0283 10 L 4.4529 8.3514 120.9055 58.0628 42.2500 178.7630 11 S 4.1495 8.5261 113.2957 61.5481 62.8407 175.3801 12 D 4.5281 8.3830 120.7877 55.6576 40.8825 177.7966 13 L 3.9325 7.7499 123.5974 58.7127 41.9780 178.3901 14 Q 4.5489 7.8739 112.2616 54.7009 28.6946 178.1427 15 R 4.1220 7.7414 118.0900 59.6668 30.1541 176.4224 16 D 4.7300 7.6194 116.7511 50.6235 41.3713 171.4357 17 P 4.3356 0.0000 0.0000 61.4884 32.0313 176.4055 18 P 4.1347 0.0000 0.0000 63.7559 31.1213 176.3372 19 A 3.8217 7.7121 119.0270 53.3878 17.5612 176.5559 20 H 4.8740 8.4563 113.1062 56.2131 33.3692 172.6454 21 C 5.5054 8.0932 113.5226 58.0857 31.9507 173.5405 22 S 4.7635 8.6887 112.9489 57.6012 66.0390 173.3654 23 A 5.0891 8.1600 122.9668 51.0244 22.3253 175.0748 24 G 3.0862 8.3780 106.3177 44.3539 0.0000 170.8282 25 P 4.1784 0.0000 0.0000 62.2292 31.7085 176.1789 26 V 3.6600 8.8230 124.9239 62.3542 32.1415 175.3000 27 G 4.0569 8.7241 117.6916 47.3570 0.0000 173.3864 28 D 4.7246 8.7086 122.3774 54.2013 41.4914 175.7689 29 D 4.8836 7.6545 119.5350 52.4073 41.7176 176.3653 30 L 4.4150 8.5672 126.5098 56.4919 42.1236 177.9333 31 F 4.3168 8.8598 117.2570 57.6799 40.6740 174.6499 32 H 5.5093 8.6839 119.4438 54.5172 31.8694 172.6342 33 W 5.4006 10.0433 126.7798 55.1136 33.0058 174.5774 34 Q 5.0693 9.0997 120.6343 54.9102 32.4453 173.1672 35 A 5.2584 9.3537 125.9874 50.8676 23.8680 174.9337 36 T 4.8131 9.1743 114.9847 62.1159 72.8894 173.3139 37 I 4.8139 8.7506 126.6397 59.3421 41.0428 173.5241 38 M 5.1185 8.1517 127.5192 53.4636 34.0075 175.7564 39 G 4.5227 8.6467 113.4185 45.3974 0.0000 171.0700 40 P 4.3813 0.0000 0.0000 62.9497 31.8112 175.6101 41 P 3.9140 0.0000 0.0000 65.5270 31.4798 176.5484 42 D 4.8790 8.0908 115.5574 53.8176 41.3100 175.7319 43 S 4.8509 8.6069 114.9854 55.8480 65.6279 174.8653 44 A 3.8755 8.4860 123.3948 55.0416 18.1707 177.8623 45 Y 5.2801 7.9891 112.1477 57.2778 38.4269 175.5933 46 Q 4.6859 7.3940 117.5855 56.7807 29.2805 177.4356 47 G 4.0607 8.9436 107.2272 45.6537 0.0000 173.6827 48 G 3.9427 7.5255 105.9975 44.8855 0.0000 173.0517 49 V 4.7139 8.3885 122.0682 60.8482 33.5083 174.8145 50 F 5.3047 8.9265 126.7861 55.9125 41.8442 174.4228 51 F 5.1286 10.2552 123.5255 56.1340 40.9756 174.9550 52 L 5.0915 8.8791 122.7845 53.0468 45.7598 175.3027 53 T 4.7522 8.6219 117.2015 60.4280 69.5941 172.7919 54 V 4.5729 8.6613 129.9549 61.5319 33.8202 173.8921 55 H 5.6639 9.2857 126.1306 54.1222 31.1186 173.3499 56 F 4.4511 9.5892 123.7308 55.5392 40.0034 174.2996 57 P 4.4637 0.0000 0.0000 62.5921 32.2318 177.3839 58 T 3.9089 8.7286 118.4144 66.5326 68.4766 174.9031 59 D 4.7889 8.0759 118.7497 52.9925 39.8580 175.6073 60 Y 4.4276 8.3013 121.6910 57.8102 39.2387 174.1315 61 P 2.9700 0.0000 0.0000 62.4298 31.8042 177.9028 62 F 3.8586 8.2466 119.3891 59.9962 38.9811 175.4650 63 K 4.7307 7.5216 120.1707 53.5789 33.9758 173.8738 64 P 2.9700 0.0000 0.0000 60.9099 31.8677 174.0533 65 P 3.9304 0.0000 0.0000 62.1443 32.5496 176.1536 66 K 4.2563 8.9573 124.9718 55.7012 32.3667 175.1228 67 I 5.6311 8.3242 120.0544 58.0886 40.3267 174.7185 68 A 4.8729 8.2555 124.4861 50.2161 23.2974 174.7633 69 F 4.5588 9.6712 124.1035 57.4724 39.6988 176.6408 70 T 4.1773 9.2173 125.1601 66.3641 69.1346 175.7135 71 T 4.5871 8.3307 117.8252 62.0952 69.6630 175.4919 72 K 4.0307 8.7987 125.8150 56.9178 32.6374 176.2429 73 I 4.8830 8.0435 122.0172 59.9315 40.9157 174.7839 74 Y 3.9136 8.7000 129.4633 56.1833 37.1394 172.8147 75 H 4.8866 7.4949 122.4223 52.6984 33.4926 172.5458 76 P 4.0054 0.0000 0.0000 65.2893 31.7049 177.1835 77 N 5.0095 7.8205 115.1861 52.6436 38.6640 174.0290 78 I 5.0524 7.5479 117.9705 59.4954 41.6155 174.2983 79 N 5.1973 8.2522 121.6221 50.9239 39.8106 174.9008 80 S 4.2720 8.7668 111.7263 60.9279 63.0216 174.3800 81 N 4.7308 8.1652 116.7670 52.1849 37.4262 175.5341 82 G 4.5929 8.2560 106.2464 46.6617 0.0000 174.1335 83 S 4.4754 7.6496 116.7822 58.5530 63.3660 173.0056 84 I 4.5515 8.2699 125.1349 59.6900 39.2848 175.3805 85 C 4.6369 8.6428 122.6587 56.2265 29.7277 172.0656 86 L 4.7911 8.0036 127.9908 53.3659 44.4865 176.0493 87 D 4.4160 9.1184 126.1127 56.7016 39.0466 178.6509 88 I 4.0907 7.6882 110.2455 61.8344 37.7183 176.3726 89 L 4.1671 7.9398 120.9506 56.1203 41.9320 176.2015 90 R 4.4420 7.5912 123.7575 57.2093 33.9323 175.4624 91 S 4.3763 8.4933 112.7683 61.1973 63.1592 174.7528 92 Q 4.6597 8.6103 118.4493 54.9414 29.4715 174.9421 93 W 4.7103 8.2051 126.5208 56.1238 32.6071 174.8323 94 S 4.1532 6.5886 117.1522 55.2692 64.9891 172.9106 95 P 4.0780 0.0000 0.0000 64.6677 31.3543 177.7261 96 A 3.9012 7.5746 119.9453 54.9483 18.3478 177.9374 97 L 3.8923 6.6194 114.2427 55.5459 42.3519 177.4741 98 T 4.8091 8.0286 111.3630 59.6229 72.6176 175.4675 99 V 3.6220 8.7910 121.2853 66.2617 31.7125 177.8978 100 S 4.3400 8.2132 114.3154 61.7098 62.7083 176.3895 101 K 3.8511 8.0378 120.8348 59.9264 31.9297 179.2634 102 V 3.6303 7.9265 117.9625 66.1052 31.1543 178.0948 103 L 3.9480 7.8966 118.5565 57.9400 41.5131 179.5041 104 L 4.0668 7.9086 118.2190 57.6747 41.5237 179.7208 105 S 4.1117 8.1540 115.3659 61.8329 62.7488 176.8548 106 I 3.7436 7.8846 122.4093 64.1769 36.5810 177.9905 107 C 4.0345 8.3493 120.1849 62.7605 31.2909 175.9167 108 S 4.2970 8.3582 116.7460 61.1439 62.2303 176.2490 109 L 3.8872 7.7748 122.5561 58.0716 41.8080 178.7971 110 L 3.8099 7.8464 118.2881 57.9346 41.6177 179.0116 111 C 4.6212 7.5393 113.7982 61.5677 28.8760 174.4291 112 D 4.8022 8.6714 127.1719 51.5008 40.3699 173.9189 113 P 4.4326 0.0000 0.0000 61.9605 32.0046 176.4570 114 N 4.7216 7.8356 117.7260 50.9148 38.4175 173.3337 115 P 4.2081 0.0000 0.0000 65.8392 31.5167 178.0408 116 D 4.5321 8.0680 115.9048 55.0985 40.8549 175.9552 117 D 4.9455 7.3424 118.6280 52.5639 41.6500 174.4504 118 P 4.4937 0.0000 0.0000 62.7487 31.7728 175.3378 119 L 4.5610 8.4640 119.9623 54.9857 44.2175 176.9628 120 V 4.2845 7.1449 117.0433 59.0462 32.2017 172.9837 121 P 4.1771 0.0000 0.0000 65.5229 31.3676 177.2725 122 D 4.2869 8.0064 116.0340 57.3263 41.3610 177.8611 123 I 3.7867 7.6381 118.2173 63.4561 38.0568 177.3734 124 A 3.9082 7.7892 121.6533 54.6417 18.3047 179.2770 125 Q 3.9420 8.1559 118.4654 59.0053 29.0258 178.1057 126 I 3.7331 7.8512 120.0060 64.2680 37.8330 176.7223 127 Y 3.9297 7.4041 118.8269 60.6164 38.5087 177.6474 128 K 3.6656 7.8053 120.0093 59.7657 32.4834 178.7297 129 S 4.4847 7.9098 113.3044 60.5333 63.0248 173.8131 130 D 4.3401 8.5347 122.9937 52.1981 42.2714 175.4515 131 K 4.2888 8.4121 127.5883 58.8029 31.9869 178.4432 132 E 4.0110 8.3475 118.8758 59.4323 29.7878 178.5385 133 K 4.1702 8.5953 118.1461 59.0402 32.1677 178.5379 134 Y 4.5205 7.7774 119.2747 60.9906 38.5289 177.7461 135 N 4.4180 8.4603 112.7164 53.8539 38.5354 175.7679 136 R 4.3317 7.5880 119.9619 58.0883 31.8519 177.5400 137 H 4.0681 8.0903 116.4258 58.2175 28.4594 177.0746 138 A 3.9740 7.3155 121.9506 55.4414 17.9943 179.9912 139 R 3.9687 7.5771 115.7193 59.4916 30.2731 178.8606 140 E 4.0198 8.7146 118.7607 59.3784 29.4277 179.5180 141 W 4.2654 9.0536 119.3351 59.7074 29.3288 178.8698 142 T 4.1717 8.5460 116.5930 66.4786 67.8068 175.8779 143 Q 4.3616 7.9897 116.2344 56.8205 29.2688 176.5143 144 K 4.2202 7.3093 119.6682 56.7120 33.3042 175.5394 145 Y 4.9227 8.2253 112.6739 57.6062 40.2454 175.6152 146 A 4.7481 8.4542 121.2729 51.7729 20.0650 176.0311 147 M 4.1883 8.0510 122.6680 56.3422 32.2097 176.2127 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 -2 R 7.54 5.10 0.00 2.31 2.27 0.00 2.62 0.00 0.00 3.11 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 -1 G 9.98 3.70 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 0.00 0.00 0.00 0 S 8.78 4.68 0.00 3.88 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 8.21 4.19 0.00 2.25 2.36 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.81 0.00 2 A 8.12 4.31 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 0.00 0.00 3 L 8.13 3.65 0.00 2.04 1.83 0.87 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 4 K 7.80 4.05 0.00 1.96 1.87 0.00 1.76 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.84 1.62 7.81 5 R 8.46 4.00 0.00 2.05 2.29 0.00 3.17 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 1.62 1.89 0.00 6 I 7.82 3.44 1.71 0.00 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.45 0.49 0.00 0.00 7 Q 8.13 4.10 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 8 K 8.53 4.03 0.00 1.71 1.82 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.36 7.81 9 E 8.21 4.28 0.00 2.14 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 0.00 2.66 2.68 0.00 10 L 8.35 4.45 0.00 2.16 1.81 0.72 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 11 S 8.53 4.15 0.00 4.03 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 12 D 8.38 4.53 0.00 2.77 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 13 L 7.75 3.93 0.00 2.11 1.99 1.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 7.87 4.55 0.00 2.10 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.84 0.00 0.00 0.00 0.00 0.00 2.20 1.93 0.00 15 R 7.74 4.12 0.00 1.76 2.04 0.00 3.08 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 16 D 7.62 4.73 0.00 2.57 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.34 0.00 2.26 2.18 0.00 3.85 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 18 P 0.00 4.13 0.00 2.35 2.39 0.00 3.86 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.01 0.00 19 A 7.71 3.82 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 20 H 8.46 4.87 0.00 3.37 3.20 0.00 5.53 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 C 8.09 5.51 0.00 2.87 2.79 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 0.00 0.00 0.00 22 S 8.69 4.76 0.00 3.81 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 23 A 8.16 5.09 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 24 G 8.38 3.09 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 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.18 0.00 1.87 1.64 0.00 3.02 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 26 V 8.82 3.66 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 0.95 0.00 0.00 0.85 0.00 0.00 27 G 8.72 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 28 D 8.71 4.72 0.00 2.70 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 29 D 7.65 4.88 0.00 2.77 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 30 L 8.57 4.42 0.00 1.53 1.47 0.94 0.89 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 31 F 8.86 4.32 0.00 3.28 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 32 H 8.68 5.51 0.00 3.56 3.37 0.00 5.73 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 W 10.04 5.40 0.00 3.41 3.21 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 34 Q 9.10 5.07 0.00 2.03 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.61 0.00 0.00 0.00 0.00 0.00 2.51 2.55 0.00 35 A 9.35 5.26 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 36 T 9.17 4.81 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 0.86 0.00 0.00 37 I 8.75 4.81 1.86 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.76 1.19 0.00 0.00 38 M 8.15 5.12 0.00 2.46 2.12 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.69 0.00 39 G 8.65 4.52 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 40 P 0.00 4.38 0.00 2.26 2.06 0.00 3.76 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.12 0.00 41 P 0.00 3.91 0.00 2.10 2.19 0.00 3.72 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.27 0.00 42 D 8.09 4.88 0.00 2.68 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 43 S 8.61 4.85 0.00 4.08 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 44 A 8.49 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 7.99 5.28 0.00 3.28 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 46 Q 7.39 4.69 0.00 2.36 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.64 0.00 0.00 0.00 0.00 0.00 2.50 2.32 0.00 47 G 8.94 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 48 G 7.53 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.39 4.71 2.17 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 0.96 0.00 0.00 0.95 0.00 0.00 50 F 8.93 5.30 0.00 3.21 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 51 F 10.26 5.13 0.00 2.97 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 52 L 8.88 5.09 0.00 1.32 1.32 -0.22 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 53 T 8.62 4.75 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 1.29 0.00 0.00 54 V 8.66 4.57 2.17 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 0.29 0.00 0.00 0.87 0.00 0.00 55 H 9.29 5.66 0.00 3.07 3.20 0.00 5.66 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 F 9.59 4.45 0.00 2.91 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 57 P 0.00 4.46 0.00 2.55 2.16 0.00 3.31 0.00 0.00 3.64 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 58 T 8.73 3.91 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 1.25 0.00 0.00 59 D 8.08 4.79 0.00 2.86 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 8.30 4.43 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 61 P 0.00 2.97 0.00 1.78 1.59 0.00 3.89 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.85 0.00 62 F 8.25 3.86 0.00 3.27 3.31 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 63 K 7.52 4.73 0.00 1.85 2.15 0.00 1.80 0.00 0.00 1.98 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.23 7.81 64 P 0.00 2.97 0.00 1.57 0.49 0.00 3.58 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 65 P 0.00 3.93 0.00 1.38 1.04 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 66 K 8.96 4.26 0.00 1.77 1.90 0.00 1.40 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.52 7.81 67 I 8.32 5.63 1.74 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.43 0.69 0.00 0.00 68 A 8.26 4.87 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 69 F 9.67 4.56 0.00 3.23 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 T 9.22 4.18 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 1.26 0.00 0.00 71 T 8.33 4.59 4.99 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 1.57 0.00 0.00 72 K 8.80 4.03 0.00 1.31 1.45 0.00 1.27 0.00 0.00 1.36 0.00 0.00 3.01 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.46 1.28 7.81 73 I 8.04 4.88 1.40 0.00 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.57 0.12 0.00 0.00 74 Y 8.70 3.91 0.00 1.81 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 75 H 7.49 4.89 0.00 2.89 2.82 0.00 5.92 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.01 0.00 1.98 1.92 0.00 3.08 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.27 0.00 77 N 7.82 5.01 0.00 2.79 2.81 0.00 0.00 6.93 7.28 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 78 I 7.55 5.05 1.65 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.21 0.88 0.00 0.00 79 N 8.25 5.20 0.00 2.87 2.93 0.00 0.00 5.97 7.76 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 80 S 8.77 4.27 0.00 4.04 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 81 N 8.17 4.73 0.00 2.83 2.94 0.00 0.00 6.09 7.00 0.00 0.00 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 G 8.26 4.59 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 0.00 0.00 0.00 83 S 7.65 4.48 0.00 3.78 3.80 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 84 I 8.27 4.55 1.89 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 1.60 0.89 0.93 0.00 0.00 85 C 8.64 4.64 0.00 2.96 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 8.00 4.79 0.00 1.75 1.52 0.92 1.15 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 87 D 9.12 4.42 0.00 2.96 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 88 I 7.69 4.09 2.03 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.70 0.95 0.00 0.00 89 L 7.94 4.17 0.00 1.89 1.70 0.86 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 90 R 7.59 4.44 0.00 1.63 1.86 0.00 3.23 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.57 0.00 91 S 8.49 4.38 0.00 4.06 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 92 Q 8.61 4.66 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.73 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 93 W 8.21 4.71 0.00 3.78 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 94 S 6.59 4.15 0.00 3.52 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 4.08 0.00 1.60 1.53 0.00 3.39 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.57 0.00 96 A 7.57 3.90 1.06 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 97 L 6.62 3.89 0.00 1.03 1.54 0.81 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 98 T 8.03 4.81 4.55 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 1.27 0.00 0.00 99 V 8.79 3.62 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 0.82 0.00 0.00 0.77 0.00 0.00 100 S 8.21 4.34 0.00 3.95 3.96 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 0.00 0.00 0.00 101 K 8.04 3.85 0.00 2.15 1.92 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.52 7.81 102 V 7.93 3.63 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 1.02 0.00 0.00 1.15 0.00 0.00 103 L 7.90 3.95 0.00 1.95 1.70 0.96 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 104 L 7.91 4.07 0.00 1.66 1.73 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 105 S 8.15 4.11 0.00 4.06 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 7.88 3.74 1.95 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.95 0.95 0.00 0.00 107 C 8.35 4.03 0.00 3.17 3.08 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 0.00 108 S 8.36 4.30 0.00 3.91 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 0.00 109 L 7.77 3.89 0.00 1.89 1.78 0.89 0.93 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 0.00 110 L 7.85 3.81 0.00 1.71 1.36 0.68 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 111 C 7.54 4.62 0.00 3.17 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 0.00 112 D 8.67 4.80 0.00 2.55 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 0.00 113 P 0.00 4.43 0.00 1.57 1.67 0.00 3.75 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 0.49 1.10 0.00 114 N 7.84 4.72 0.00 2.51 2.92 0.00 0.00 7.38 7.59 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 0.00 115 P 0.00 4.21 0.00 2.28 2.49 0.00 3.87 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.18 0.00 116 D 8.07 4.53 0.00 2.67 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 0.00 117 D 7.34 4.95 0.00 2.59 2.94 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 0.00 0.00 0.00 118 P 0.00 4.49 0.00 2.16 2.09 0.00 3.83 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 119 L 8.46 4.56 0.00 1.50 1.69 0.90 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 120 V 7.14 4.28 1.95 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 0.94 0.00 0.00 0.95 0.00 0.00 121 P 0.00 4.18 0.00 2.18 2.11 0.00 3.63 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 122 D 8.01 4.29 0.00 2.80 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 0.00 123 I 7.64 3.79 1.49 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.49 0.74 0.00 0.00 124 A 7.79 3.91 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 0.00 125 Q 8.16 3.94 0.00 2.23 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 126 I 7.85 3.73 2.05 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.30 1.13 0.00 0.00 127 Y 7.40 3.93 0.00 1.96 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 0.00 128 K 7.81 3.67 0.00 1.96 1.77 0.00 1.82 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.59 7.81 129 S 7.91 4.48 0.00 4.05 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 0.00 130 D 8.53 4.34 0.00 2.62 2.58 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 0.00 131 K 8.41 4.29 0.00 1.84 2.01 0.00 1.55 0.00 0.00 1.48 0.00 0.00 2.13 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.85 1.19 7.81 132 E 8.35 4.01 0.00 1.97 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 2.31 2.43 0.00 133 K 8.60 4.17 0.00 1.96 1.90 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.83 7.81 134 Y 7.78 4.52 0.00 3.21 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 0.00 135 N 8.46 4.42 0.00 2.68 2.76 0.00 0.00 6.95 7.63 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 0.00 136 R 7.59 4.33 0.00 1.87 1.81 0.00 3.10 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.71 0.00 137 H 8.09 4.07 0.00 2.23 1.79 0.00 5.92 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 0.00 138 A 7.32 3.97 0.77 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 0.00 139 R 7.58 3.97 0.00 1.97 1.97 0.00 3.10 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.78 0.00 140 E 8.71 4.02 0.00 2.36 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.54 0.00 141 W 9.05 4.27 0.00 3.64 3.69 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 T 8.55 4.17 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 143 Q 7.99 4.36 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.75 0.00 0.00 0.00 0.00 0.00 2.55 2.32 0.00 144 K 7.31 4.22 0.00 1.70 1.24 0.00 0.61 0.00 0.00 1.03 0.00 0.00 2.55 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.80 1.07 7.81 145 Y 8.23 4.92 0.00 3.30 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 0.00 146 A 8.45 4.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 M 8.05 4.19 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.56 0.00