NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1831 8.3001 118.7947 53.2704 33.7139 171.7831 2 A 3.4258 7.9171 129.7085 49.1074 15.5250 175.4097 3 S 4.2175 8.5689 116.5639 59.1278 64.4540 172.3641 4 L 4.7887 8.0011 121.3723 52.1952 44.7847 174.4019 5 P 4.3708 0.0000 0.0000 62.3933 32.1968 177.1013 6 K 3.8474 8.9246 122.7131 59.8469 31.7794 178.9547 7 R 3.8597 7.9368 118.2802 59.5900 30.1035 177.9855 8 I 3.8089 7.6921 118.9586 64.6407 37.2053 178.1050 9 I 3.7118 7.9244 119.7250 64.7602 37.0027 178.2216 10 K 4.0169 8.0708 119.8717 59.5062 31.8034 178.8068 11 E 4.0184 8.0832 118.0019 59.5663 29.7470 179.0744 12 T 4.1752 8.7506 116.3251 66.7042 68.6077 176.0209 13 E 3.9581 8.2540 120.8829 59.5373 29.7731 179.1339 14 K 4.1243 8.2549 117.6009 58.7755 32.1505 179.2460 15 L 4.2463 7.7827 119.4038 57.0746 41.2491 179.3567 16 V 3.7147 7.5975 117.0727 65.7444 31.9277 177.7676 17 S 4.3224 8.0222 113.4346 60.5256 64.1102 174.4800 18 D 4.9471 8.0631 118.4480 51.5544 40.7190 173.4713 19 P 4.9029 0.0000 0.0000 62.0690 32.7279 177.0370 20 V 3.7496 8.2102 120.4014 61.5385 32.1188 173.5126 21 P 4.3685 0.0000 0.0000 64.7532 31.2938 176.1995 22 G 4.0054 10.2799 111.0454 46.0129 0.0000 171.8460 23 I 5.2391 7.5788 118.2704 59.7823 41.4959 174.5750 24 T 4.8575 8.8997 115.3924 60.1746 72.3913 172.9310 25 A 5.6202 8.6229 123.7059 51.8487 22.0743 175.3792 26 E 4.9760 8.8595 120.0411 54.1726 33.4271 173.0658 27 P 4.4776 0.0000 0.0000 62.1780 33.0924 175.3367 28 H 4.3327 8.6444 118.6758 55.3569 29.4491 176.4353 29 D 4.3079 8.8405 124.4718 57.6543 40.6929 177.3760 30 D 4.6025 7.9696 114.5480 53.3069 39.8489 176.1613 31 N 4.5078 7.9298 116.0510 53.5630 40.2991 174.4699 32 L 4.0513 8.4640 122.7116 55.7210 41.9982 177.8986 33 R 4.5953 8.2417 117.4851 56.1449 31.7759 174.7871 34 Y 5.5255 7.9779 122.3327 56.0296 40.8968 174.1827 35 F 5.2843 10.0099 126.1308 55.6637 42.6653 174.2920 36 Q 4.6712 9.0572 125.0653 55.4054 30.3415 174.6173 37 V 5.6491 9.2748 126.1323 60.2040 35.3762 174.0918 38 T 5.2251 8.2646 116.3440 60.0236 72.2232 172.7618 39 I 5.0538 8.8492 124.5661 59.5380 41.3090 174.4240 40 E 4.5061 9.2802 127.4197 55.7657 30.9304 176.4665 41 G 4.4161 9.3468 112.2738 45.8768 0.0000 170.9518 42 P 4.4778 0.0000 0.0000 61.7007 32.4518 175.3871 43 E 4.0599 8.5296 122.2325 57.4731 30.1564 177.3989 44 Q 3.9043 8.7621 122.6941 56.1716 28.0547 173.9981 45 S 4.6476 7.4307 112.8577 56.3809 64.7420 173.0712 46 P 4.3663 0.0000 0.0000 64.2641 31.2993 177.4282 47 Y 5.1874 7.5496 115.9935 57.6268 38.4008 177.4258 48 E 4.7296 7.9995 120.8292 59.2514 29.7516 177.5836 49 D 4.7928 8.3239 117.4551 54.0796 41.0246 175.2582 50 G 4.4331 7.9844 106.2452 44.4697 0.0000 171.8037 51 I 5.0686 8.4605 120.5766 59.3828 40.2979 174.8038 52 F 4.9301 9.4375 126.1757 55.9427 41.4114 174.7041 53 E 5.0833 9.5549 122.9609 55.2780 31.4417 175.2509 54 L 5.2122 9.4264 123.5168 53.0408 46.8169 174.9391 55 E 5.2949 8.8674 117.4451 54.8281 33.2328 174.4734 56 L 5.1684 9.0188 121.8554 54.0978 46.4511 174.1555 57 Y 5.3652 8.9868 124.6252 56.0233 42.6278 173.6047 58 L 4.2144 7.9176 126.8719 52.4701 42.7097 175.2099 59 P 4.3304 0.0000 0.0000 61.8237 32.2966 176.7817 60 D 4.4231 8.9140 120.6504 58.0987 40.9077 178.5181 61 D 4.5660 8.0936 114.2277 54.2859 39.1840 175.3310 62 Y 4.7578 8.4036 122.2733 56.9500 39.0795 174.2197 63 P 4.0558 0.0000 0.0000 63.0248 31.8626 177.6175 64 M 4.1083 8.1408 120.4533 58.1512 32.2273 175.9429 65 E 4.5810 8.0731 118.9745 53.9375 31.2555 174.9516 66 A 2.0000 7.7182 128.6346 50.6079 18.9134 175.2490 67 P 4.1827 0.0000 0.0000 62.5150 32.7087 175.4747 68 K 4.5269 8.7422 120.4476 55.0721 33.9248 176.0618 69 V 5.0911 8.2212 122.9788 60.7238 35.0799 174.0749 70 R 4.7717 8.0632 119.1577 55.5511 32.4496 173.9746 71 F 4.6369 9.5779 120.3670 57.3716 39.8694 176.6385 72 L 4.4424 9.1889 124.5840 56.3104 42.8596 177.8651 73 T 4.1601 7.9906 115.2392 62.6623 69.0242 174.1885 74 K 4.0303 8.5592 127.9072 56.4921 32.6787 175.7026 75 I 5.0388 8.2296 124.9399 59.5170 41.1092 173.8082 76 Y 4.4532 9.1513 127.4801 56.7599 38.6739 174.2199 77 H 4.2834 7.8243 125.7217 54.0153 33.0761 172.6256 78 P 3.9587 0.0000 0.0000 65.0741 31.3691 177.4026 79 N 4.8786 8.0186 113.5903 52.5997 38.7740 173.8411 80 I 4.6760 7.3301 118.8744 59.5625 40.5407 175.3425 81 D 4.7411 8.4785 125.5445 51.8872 41.0575 177.2494 82 R 4.0579 8.5350 117.2017 58.5271 29.9463 177.6122 83 L 4.4951 8.2670 116.0866 54.2115 42.2052 177.2777 84 G 4.6450 8.4230 107.6892 46.2771 0.0000 173.9619 85 R 4.3452 8.3007 119.8966 56.3877 31.1252 175.6939 86 I 4.8716 8.3583 123.3524 59.6089 39.9181 175.3088 87 S 4.6162 8.3498 121.2501 56.5386 63.3806 172.9137 88 L 4.7841 8.0991 128.0853 52.1686 45.3854 176.6492 89 D 4.4310 8.9490 125.2702 57.8661 40.5849 179.6019 90 V 3.7718 7.8944 112.1042 64.2612 31.3704 177.7376 91 L 4.2579 7.5881 116.5110 53.7507 42.1175 177.0199 92 K 4.5852 8.7795 116.5892 56.5148 32.2089 178.1554 93 T 3.8687 9.5119 115.4112 65.8593 68.8389 175.1319 94 N 4.7081 8.1041 116.0222 52.7165 38.5291 175.0244 95 W 4.6453 7.7776 128.2598 57.3019 31.4628 175.1464 96 S 4.2250 6.0119 114.9232 56.4859 64.4321 173.6231 97 P 4.1578 0.0000 0.0000 63.5691 31.4554 177.7504 98 A 3.9259 7.3115 121.3817 54.7259 18.4075 178.2763 99 L 4.1263 6.6381 114.8399 54.6956 42.3914 175.7452 100 Q 4.9793 8.9812 117.0714 53.2982 32.1222 175.6741 101 I 3.6239 9.0091 118.3041 64.8462 36.9547 178.7693 102 R 3.9259 8.0768 116.4249 59.5311 28.9443 178.7843 103 T 3.8895 7.8725 109.9881 64.5269 68.8570 176.5985 104 V 3.6175 7.8369 121.2322 65.7729 31.6507 177.9722 105 L 3.9239 8.0395 118.6893 57.7056 41.3340 179.4659 106 L 3.9902 7.9493 118.9228 57.9755 41.5176 179.5495 107 S 4.0929 8.3354 113.2736 61.5126 62.2790 176.2987 108 I 3.7064 8.0134 122.8172 64.1571 36.8908 178.2655 109 Q 3.9138 8.2266 120.3457 59.1366 28.9687 177.9369 110 A 4.0269 8.2007 122.1332 55.2459 18.1464 179.3100 111 L 3.9276 7.8813 117.9511 58.3191 42.1748 178.9647 112 L 4.0359 7.4954 117.6057 57.4123 41.5451 179.0057 113 A 4.5396 7.7388 119.9269 53.6858 18.8519 177.7934 114 S 4.4583 7.8401 113.6293 55.4394 63.5193 171.9154 115 P 4.3267 0.0000 0.0000 63.2309 31.9989 177.3343 116 N 4.8556 8.1360 115.9957 52.1683 39.9379 172.7984 117 P 4.2555 0.0000 0.0000 64.3711 31.8639 177.2722 118 N 4.5705 7.8107 114.4385 54.6350 39.2370 174.8646 119 D 4.7062 7.6203 117.5487 52.2195 41.4502 172.4668 120 P 4.5417 0.0000 0.0000 62.9183 32.5024 176.1103 121 L 4.4267 8.6041 119.5334 54.6594 44.0701 176.5337 122 A 4.5567 7.4373 119.7133 49.4599 19.8192 175.6812 123 N 4.3688 8.4945 121.5714 56.7268 38.7277 176.8124 124 D 4.3681 8.0223 120.3474 56.3739 39.5387 178.7265 125 V 3.4360 7.6645 119.0156 65.5933 31.5254 177.4225 126 A 4.0047 8.2448 120.9297 55.4818 18.1554 179.4501 127 E 3.9559 8.6082 117.2394 59.6794 29.6483 179.1446 128 D 4.4627 8.0923 117.7604 56.9935 41.0949 177.8855 129 W 4.0229 8.3803 127.6493 59.1701 30.7223 177.1277 130 I 4.2726 7.1982 118.2689 63.3226 37.7296 177.4170 131 K 4.2626 8.4021 119.4341 58.4498 33.3353 176.8856 132 N 4.8667 8.3059 118.1860 50.7298 40.0442 173.7579 133 E 3.4496 8.4320 123.4502 58.8728 30.2354 177.6573 134 Q 3.8988 7.9213 119.0430 59.0377 29.2325 178.2740 135 G 3.9645 8.0721 107.3886 46.8390 0.0000 175.5376 136 A 3.8447 7.1093 124.2726 54.3030 18.3085 179.6103 137 K 3.5636 7.2436 116.7441 59.6228 32.0043 179.3715 138 A 3.8766 7.5499 120.6228 54.8425 18.2799 179.6236 139 K 3.5635 7.5418 117.7327 59.2464 32.1021 178.9825 140 A 4.1720 8.2308 121.4804 55.3152 18.2599 179.6090 141 R 4.3611 7.9795 118.6030 58.8514 30.0067 178.4418 142 E 3.9403 8.3775 119.2558 59.2789 29.7747 178.7216 143 W 4.3183 8.8206 119.3837 60.1624 28.9900 178.7343 144 T 4.1739 8.4709 115.6991 66.8160 67.7805 176.8442 145 K 3.9718 7.6659 119.0446 59.4285 32.1018 179.1950 146 L 3.8815 7.8963 118.5630 57.0302 41.5513 177.5584 147 Y 4.7056 8.0535 113.7123 57.6937 40.0804 175.6776 148 A 4.4568 7.9130 121.2466 50.3812 20.5491 177.3148 149 K 4.1817 7.9815 118.8823 55.9896 33.4235 177.1093 150 K 4.5767 8.4899 123.7542 56.1524 32.9530 176.9338 151 K 4.2629 8.5146 125.0771 55.2852 32.6099 175.5777 152 P 4.3971 0.0000 0.0000 63.0682 31.2113 176.1040 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 M 8.30 4.18 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.12 0.00 2 A 7.92 3.43 1.41 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 0.00 0.00 0.00 3 S 8.57 4.22 0.00 4.00 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 4 L 8.00 4.79 0.00 1.60 1.57 0.98 0.96 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 5 P 0.00 4.37 0.00 2.27 1.99 0.00 3.74 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 2.16 2.11 0.00 6 K 8.92 3.85 0.00 1.79 1.85 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.48 7.81 7 R 7.94 3.86 0.00 1.90 1.96 0.00 3.39 0.00 0.00 3.37 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 8 I 7.69 3.81 2.04 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.07 1.06 0.00 0.00 9 I 7.92 3.71 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.07 0.94 0.00 0.00 10 K 8.07 4.02 0.00 2.18 1.83 0.00 1.54 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.54 7.81 11 E 8.08 4.02 0.00 2.34 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 2.40 2.56 0.00 12 T 8.75 4.18 4.49 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 13 E 8.25 3.96 0.00 2.12 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 0.00 2.33 2.53 0.00 14 K 8.25 4.12 0.00 1.95 1.86 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.63 7.81 15 L 7.78 4.25 0.00 1.98 1.74 0.86 0.78 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 16 V 7.60 3.71 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.97 0.00 0.00 17 S 8.02 4.32 0.00 3.90 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 18 D 8.06 4.95 0.00 2.54 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.90 0.00 2.23 2.15 0.00 3.50 0.00 0.00 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.94 0.00 20 V 8.21 3.75 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.93 0.00 0.00 21 P 0.00 4.37 0.00 2.23 2.09 0.00 3.85 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 22 G 10.28 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 23 I 7.58 5.24 1.88 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 1.30 0.55 0.96 0.00 0.00 24 T 8.90 4.86 4.26 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 1.23 0.00 0.00 25 A 8.62 5.62 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 26 E 8.86 4.98 0.00 1.99 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 2.26 2.27 0.00 27 P 0.00 4.48 0.00 1.73 1.09 0.00 3.69 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.81 0.00 28 H 8.64 4.33 0.00 3.33 3.37 0.00 5.83 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 D 8.84 4.31 0.00 2.62 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 30 D 7.97 4.60 0.00 2.78 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 N 7.93 4.51 0.00 2.80 2.87 0.00 0.00 7.20 6.18 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 32 L 8.46 4.05 0.00 1.66 1.63 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.24 4.60 0.00 2.08 1.87 0.00 3.14 0.00 0.00 3.18 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 34 Y 7.98 5.53 0.00 3.00 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 35 F 10.01 5.28 0.00 2.95 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 36 Q 9.06 4.67 0.00 2.06 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.26 0.00 37 V 9.27 5.65 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 0.65 0.00 0.00 0.99 0.00 0.00 38 T 8.26 5.23 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 1.22 0.00 0.00 39 I 8.85 5.05 1.90 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 1.20 0.61 0.95 0.00 0.00 40 E 9.28 4.51 0.00 2.12 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 41 G 9.35 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 4.48 0.00 2.31 2.08 0.00 3.73 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.19 0.00 43 E 8.53 4.06 0.00 1.96 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 2.33 2.43 0.00 44 Q 8.76 3.90 0.00 2.32 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.62 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 45 S 7.43 4.65 0.00 4.18 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 46 P 0.00 4.37 0.00 1.49 2.08 0.00 3.41 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 2.08 2.03 0.00 47 Y 7.55 5.19 0.00 3.17 3.23 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 48 E 8.00 4.73 0.00 2.28 2.38 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 2.38 2.31 0.00 49 D 8.32 4.79 0.00 2.87 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 50 G 7.98 4.43 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 0.00 0.00 0.00 51 I 8.46 5.07 1.84 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 1.27 0.99 0.95 0.00 0.00 52 F 9.44 4.93 0.00 3.13 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 53 E 9.55 5.08 0.00 1.92 1.87 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 2.28 2.31 0.00 54 L 9.43 5.21 0.00 1.32 1.38 0.62 -1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.87 5.29 0.00 2.29 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 2.24 2.32 0.00 56 L 9.02 5.17 0.00 1.68 1.52 0.70 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 57 Y 8.99 5.37 0.00 2.86 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 58 L 7.92 4.21 0.00 1.19 1.13 0.78 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 59 P 0.00 4.33 0.00 2.18 2.02 0.00 3.51 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.03 0.00 60 D 8.91 4.42 0.00 2.70 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 61 D 8.09 4.57 0.00 2.86 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 62 Y 8.40 4.76 0.00 2.98 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 63 P 0.00 4.06 0.00 1.96 1.35 0.00 3.60 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.69 0.00 64 M 8.14 4.11 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.54 0.00 65 E 8.07 4.58 0.00 2.24 1.81 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 2.25 2.30 0.00 66 A 7.72 2.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.18 0.00 1.69 1.35 0.00 2.39 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 68 K 8.74 4.53 0.00 1.87 1.75 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.31 7.81 69 V 8.22 5.09 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 0.91 0.00 0.00 0.82 0.00 0.00 70 R 8.06 4.77 0.00 1.95 1.98 0.00 3.15 0.00 0.00 3.40 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 71 F 9.58 4.64 0.00 3.22 3.23 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 72 L 9.19 4.44 0.00 1.73 1.75 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 73 T 7.99 4.16 4.70 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 1.36 0.00 0.00 74 K 8.56 4.03 0.00 1.23 0.94 0.00 0.90 0.00 0.00 0.61 0.00 0.00 2.38 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.77 1.14 7.81 75 I 8.23 5.04 1.91 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.23 0.48 0.00 0.00 76 Y 9.15 4.45 0.00 2.69 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 H 7.82 4.28 0.00 2.97 2.76 0.00 5.93 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 3.96 0.00 1.75 1.73 0.00 2.40 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 0.62 0.88 0.00 79 N 8.02 4.88 0.00 2.73 2.71 0.00 0.00 6.91 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 80 I 7.33 4.68 1.58 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.27 0.70 0.00 0.00 81 D 8.48 4.74 0.00 2.87 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 82 R 8.53 4.06 0.00 1.86 2.07 0.00 3.22 0.00 0.00 3.31 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.75 0.00 83 L 8.27 4.50 0.00 1.62 1.67 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 84 G 8.42 4.65 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 0.00 0.00 0.00 85 R 8.30 4.35 0.00 2.20 1.87 0.00 3.08 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 86 I 8.36 4.87 1.89 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 1.44 0.85 0.93 0.00 0.00 87 S 8.35 4.62 0.00 3.77 3.73 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 88 L 8.10 4.78 0.00 1.64 1.42 0.93 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 89 D 8.95 4.43 0.00 2.78 2.88 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 0.00 0.00 0.00 90 V 7.89 3.77 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 0.95 0.00 0.00 0.99 0.00 0.00 91 L 7.59 4.26 0.00 1.69 1.65 0.88 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 92 K 8.78 4.59 0.00 1.74 1.17 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.34 1.48 7.81 93 T 9.51 3.87 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 94 N 8.10 4.71 0.00 2.85 2.92 0.00 0.00 6.84 7.68 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 95 W 7.78 4.65 0.00 3.41 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 96 S 6.01 4.23 0.00 3.62 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 97 P 0.00 4.16 0.00 1.90 1.92 0.00 3.55 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.91 0.00 98 A 7.31 3.93 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 6.64 4.13 0.00 0.66 1.51 0.88 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 100 Q 8.98 4.98 0.00 2.40 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.77 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 101 I 9.01 3.62 1.87 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.59 0.66 0.00 0.00 102 R 8.08 3.93 0.00 2.03 2.20 0.00 2.97 0.00 0.00 3.40 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 103 T 7.87 3.89 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 0.00 104 V 7.84 3.62 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.09 0.00 0.00 105 L 8.04 3.92 0.00 1.70 1.66 0.84 0.39 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 0.00 106 L 7.95 3.99 0.00 2.02 1.73 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 107 S 8.34 4.09 0.00 3.97 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 0.00 108 I 8.01 3.71 1.95 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 1.41 1.14 0.92 0.00 0.00 109 Q 8.23 3.91 0.00 2.14 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 110 A 8.20 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 0.00 111 L 7.88 3.93 0.00 1.67 1.80 0.94 1.22 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 0.00 112 L 7.50 4.04 0.00 1.77 1.57 0.61 0.41 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 0.00 113 A 7.74 4.54 1.41 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 0.00 0.00 0.00 114 S 7.84 4.46 0.00 3.97 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 0.00 115 P 0.00 4.33 0.00 1.73 1.22 0.00 3.78 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 2.09 1.96 0.00 116 N 8.14 4.86 0.00 2.70 2.56 0.00 0.00 7.65 8.49 0.00 0.00 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 P 0.00 4.26 0.00 2.12 2.30 0.00 3.70 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.71 0.00 118 N 7.81 4.57 0.00 2.81 2.86 0.00 0.00 6.66 7.95 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 0.00 119 D 7.62 4.71 0.00 2.54 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 0.00 120 P 0.00 4.54 0.00 2.15 2.08 0.00 3.73 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 121 L 8.60 4.43 0.00 1.50 1.53 0.90 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 122 A 7.44 4.56 1.21 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 0.00 123 N 8.49 4.37 0.00 2.82 2.88 0.00 0.00 6.77 8.08 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 0.00 124 D 8.02 4.37 0.00 2.92 2.96 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 0.00 125 V 7.66 3.44 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 0.33 0.00 0.00 0.58 0.00 0.00 126 A 8.24 4.00 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 0.00 127 E 8.61 3.96 0.00 2.15 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 2.68 2.48 0.00 128 D 8.09 4.46 0.00 2.88 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 0.00 129 W 8.38 4.02 0.00 3.66 3.13 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 0.00 130 I 7.20 4.27 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.02 0.94 0.00 0.00 131 K 8.40 4.26 0.00 1.83 1.86 0.00 1.79 0.00 0.00 1.61 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.59 7.81 132 N 8.31 4.87 0.00 2.64 2.55 0.00 0.00 6.85 8.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 E 8.43 3.45 0.00 1.98 1.81 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 2.08 2.38 0.00 134 Q 7.92 3.90 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 135 G 8.07 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 0.00 0.00 0.00 136 A 7.11 3.84 0.45 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 0.00 137 K 7.24 3.56 0.00 1.76 1.72 0.00 1.64 0.00 0.00 1.59 0.00 0.00 3.11 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.30 1.43 7.81 138 A 7.55 3.88 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 0.00 139 K 7.54 3.56 0.00 1.46 0.86 0.00 1.10 0.00 0.00 0.61 0.00 0.00 2.72 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.30 0.89 7.81 140 A 8.23 4.17 1.56 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 0.00 141 R 7.98 4.36 0.00 1.91 2.04 0.00 3.11 0.00 0.00 3.18 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.51 0.00 142 E 8.38 3.94 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 143 W 8.82 4.32 0.00 3.75 3.64 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 0.00 144 T 8.47 4.17 4.63 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 1.41 0.00 0.00 145 K 7.67 3.97 0.00 1.84 1.85 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.65 7.81 146 L 7.90 3.88 0.00 0.84 0.54 0.73 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 147 Y 8.05 4.71 0.00 3.05 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 0.00 148 A 7.91 4.46 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 K 7.98 4.18 0.00 1.68 1.70 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.44 1.39 7.81 150 K 8.49 4.58 0.00 1.61 1.73 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.51 7.81 151 K 8.51 4.26 0.00 1.70 1.79 0.00 1.77 0.00 0.00 1.85 0.00 0.00 3.31 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.48 7.81 152 P 0.00 4.40 0.00 2.18 2.04 0.00 3.81 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 2.00 1.97 0.00