NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3630 0.0000 0.0000 61.7908 31.6750 174.9859 3 L 4.1462 8.1594 125.3737 54.3186 42.7580 175.0970 4 L 4.2950 8.6941 125.4163 55.4270 43.0592 175.6226 5 T 4.8027 8.9269 115.8242 59.8990 71.6483 172.5453 6 I 3.9536 8.4605 122.0480 63.5897 37.2235 176.4335 7 G 4.0506 9.5473 114.6024 45.2252 0.0000 173.4657 8 D 4.6739 8.0977 119.8521 53.8468 42.3410 175.9795 9 Q 4.5428 8.5516 121.1108 55.7547 29.1613 176.1411 10 F 4.1792 9.0773 127.6932 57.5591 40.1024 173.3764 11 P 4.2096 0.0000 0.0000 62.0801 31.8135 176.2466 12 A 4.2449 8.1844 123.0764 52.8897 19.3152 175.9985 13 Y 4.7776 8.0262 116.3235 56.6969 42.1199 174.0981 14 Q 4.5793 8.5292 121.0760 55.7699 30.7362 172.9916 15 L 4.9417 9.2627 126.7766 52.6765 46.4688 176.4896 16 T 4.4822 8.6746 119.1150 64.0758 69.6748 172.9419 17 A 5.1868 9.6665 128.4483 49.8002 22.9356 174.8390 18 L 4.8900 8.6680 122.7092 54.6177 43.3441 176.3829 19 I 4.0632 8.5736 127.8167 61.6836 37.7391 176.3573 20 G 3.6125 8.5753 112.3436 46.7582 0.0000 173.2445 21 G 3.8818 8.9343 107.4629 43.9332 0.0000 172.7348 22 D 4.9039 8.2713 116.9320 53.7751 41.4121 176.9442 23 L 4.1960 8.5719 129.6588 58.0778 41.9381 180.0213 24 S 4.3436 8.1892 116.7004 60.6605 62.4191 181.1142 25 K 4.2534 7.8461 121.6006 57.7722 31.8987 184.1192 26 V 3.7808 7.3553 117.4461 61.1427 31.9533 180.2040 27 D 4.4720 8.5512 124.1996 52.4080 40.3422 174.0501 28 A 4.3429 8.4669 132.6065 51.7614 18.4419 179.1211 29 K 4.1703 8.0056 127.0904 58.3676 32.8586 180.2043 30 Q 4.7497 8.4512 115.7971 51.5366 32.2784 176.0629 31 P 4.6382 0.0000 0.0000 65.9277 31.3796 178.6593 32 G 4.1344 8.0785 102.2971 46.1537 0.0000 174.8402 33 D 4.4340 7.7807 120.5050 56.6106 41.0803 177.1220 34 Y 4.3235 7.3994 116.0484 57.8115 38.1906 174.6161 35 F 5.7804 7.2933 117.8263 55.9275 42.9635 174.1140 36 T 4.8866 8.7541 110.6570 60.2986 72.9882 172.5656 37 T 4.8601 8.5166 118.6298 63.0347 69.5778 174.4563 38 I 5.0006 9.3732 127.7724 58.9358 39.8984 175.1649 39 T 5.1257 8.5519 116.6925 59.5519 71.7407 175.3835 40 S 3.6566 7.8906 115.9278 59.8415 62.9243 174.5865 41 D 4.7053 7.4564 119.7431 54.1505 41.0672 176.9972 42 E 3.9936 7.9304 122.1039 58.4102 30.6155 176.3492 43 H 5.1686 7.6922 115.4350 53.9221 29.2698 171.9286 44 P 4.4186 0.0000 0.0000 64.2824 31.9784 177.3881 45 G 3.9702 9.0215 109.7333 45.0498 0.0000 172.9119 46 K 4.9817 7.3789 118.2025 54.3234 34.2990 176.5750 47 W 4.4562 9.3577 123.7059 56.8967 30.6376 175.3141 48 R 4.9643 9.2288 122.9548 54.5373 32.3401 175.1680 49 V 4.4599 8.9479 125.2956 61.4658 33.1186 174.5716 50 V 4.5683 8.4636 129.7553 61.2993 33.3185 174.2866 51 F 5.4442 8.8866 127.7987 56.1754 40.7158 175.1192 52 F 5.8222 10.1089 123.4846 55.2115 41.0922 175.0502 53 W 5.2870 7.9492 117.7697 54.4617 31.1247 173.4179 54 P 4.5960 0.0000 0.0000 64.4376 31.1307 176.9352 55 K 4.8243 7.8827 115.2397 54.3817 35.6843 176.2661 56 D 3.3700 9.2205 123.6947 55.5571 41.1289 176.9734 57 F 3.5416 5.4600 117.8196 58.1441 35.7560 174.7903 58 T 4.6909 7.0976 115.4164 61.0665 71.2097 173.8215 59 F 4.0527 8.9470 126.6051 58.5609 39.6563 174.5133 60 V 4.1707 7.2531 127.4159 60.4458 33.6875 174.4542 61 C 4.1730 8.4918 127.4946 58.8242 31.8941 172.3680 62 P 4.2377 0.0000 0.0000 65.4799 31.3736 178.2410 63 T 4.1216 7.7712 114.1335 65.4275 69.4293 176.5950 64 E 3.7677 8.3304 122.2432 59.1616 29.3330 178.7378 65 I 3.7672 7.6129 117.7753 64.6043 37.5497 177.7335 66 A 4.0692 7.7831 120.9580 55.0358 18.0542 179.6189 67 A 3.9035 8.1095 119.3300 55.3847 18.3191 179.7296 68 F 4.4163 7.4331 111.8667 59.2674 39.2715 176.1697 69 S 4.7183 7.8782 114.3385 58.5058 67.3432 176.5758 70 K 4.2298 8.5428 124.7412 58.6287 31.6757 182.9433 71 L 4.7127 8.5362 117.5711 56.5749 42.2708 178.0058 72 N 4.4366 8.5451 116.9466 57.2870 38.6381 176.2182 73 D 4.4725 8.2550 119.5273 57.4363 40.6881 178.4467 74 E 4.0214 8.6272 119.5121 59.1942 29.3806 179.3744 75 F 4.0861 8.3010 117.4533 60.5288 39.1066 177.3499 76 E 4.0342 8.3766 118.1131 59.7641 29.1436 178.9855 77 D 4.7384 7.8979 117.3555 56.9475 40.8257 178.5515 78 R 4.4445 7.0157 116.1656 54.8459 31.1199 175.5332 79 D 4.4601 8.6454 117.6584 55.6880 39.0197 172.8145 80 A 5.4709 8.2143 119.2807 50.2455 21.7945 176.6919 81 Q 4.5493 9.3676 123.6508 54.3306 31.1191 174.6038 82 I 4.3884 8.2391 127.7453 60.8743 38.3704 175.4060 83 L 4.7403 8.8495 126.2866 52.9552 45.2586 175.8691 84 G 4.6970 9.0624 111.5779 45.2717 0.0000 173.3004 85 V 4.4620 8.2479 122.5905 60.8207 35.1498 174.4146 86 S 4.4916 7.8639 120.8590 56.6295 66.6521 174.6013 87 I 4.2460 8.2853 118.9189 62.6981 37.2459 176.5949 88 D 4.5118 7.4875 120.2494 54.0403 41.3715 176.8676 89 S 4.6033 8.5096 117.7295 57.2399 65.3612 175.0750 90 E 4.0313 8.1803 120.5770 59.5811 29.1095 179.2074 91 F 4.7950 7.6386 118.1124 60.2807 39.0128 177.3889 92 A 4.4498 8.0829 120.4481 55.3455 18.1207 179.2916 93 H 4.5934 8.3137 116.1747 58.5751 28.8993 177.3638 94 F 4.0738 8.7457 122.3321 61.7443 39.0927 176.8308 95 Q 4.2189 8.7229 118.8831 59.0380 28.7644 178.3303 96 W 4.4914 8.6493 129.3463 60.8343 30.4880 178.2871 97 R 3.6644 8.4230 117.5299 58.3465 29.1931 178.5304 98 A 3.9425 8.1549 122.8234 54.0456 18.7353 178.4377 99 Q 4.4262 7.7765 112.2017 54.2849 30.7036 179.2432 100 H 4.7649 8.4311 117.6237 55.7736 30.7681 174.9465 101 N 4.1815 8.5622 126.6777 56.7214 38.2864 176.9769 102 D 4.2787 7.6573 118.1682 56.4587 41.2791 177.6242 103 L 4.1903 7.4356 120.1850 55.0710 42.2589 178.8655 104 K 4.0962 7.8736 126.3812 58.1878 31.2557 183.1486 105 T 4.6103 7.1655 103.7896 60.7068 69.9257 173.3108 106 L 3.3985 7.2957 124.4158 55.2816 41.8760 175.2430 107 P 4.7867 0.0000 0.0000 62.5445 31.7615 174.6961 108 F 5.0354 6.6445 112.8353 54.6296 41.3019 174.0750 109 P 5.4800 0.0000 0.0000 61.9384 33.9235 175.0870 *111 L 4.5096 8.4182 121.2300 55.7914 43.7794 176.5460 112 S 4.6560 9.0344 118.5795 57.2256 62.6693 174.2366 113 D 4.9301 8.8345 134.4720 53.2206 39.7481 177.4178 114 I 3.8663 7.3503 120.2360 63.5409 38.6944 176.2190 115 K 4.1549 7.9814 117.8376 56.1231 32.5979 177.8599 116 R 4.1281 8.1935 117.6198 57.1337 28.4840 177.9819 117 E 3.9884 7.6656 120.7927 59.1315 29.2679 179.0512 118 L 3.8795 8.4652 120.4535 58.2157 42.1861 178.8031 119 S 3.9370 8.9171 115.5597 61.8016 62.8788 176.7282 120 Q 3.8439 8.0863 121.5981 59.2433 28.6471 178.1970 121 A 3.9539 7.7262 120.1745 54.6429 18.6985 178.7641 122 A 3.9287 8.0378 118.2466 52.5140 18.3684 178.8065 123 G 3.6772 7.5215 104.1671 46.8656 0.0000 174.5658 124 V 3.9977 7.7693 120.9512 62.7021 32.9149 175.7614 125 L 4.3698 7.7338 121.8180 54.7394 42.5706 175.5053 126 N 4.9054 8.6808 123.0461 50.6181 39.7185 175.2210 127 A 4.0288 8.4079 119.9591 54.7009 18.3802 177.9845 128 D 4.5177 8.0670 113.8607 54.5553 41.2161 177.4293 129 G 3.9231 8.7419 107.8728 45.3478 0.0000 173.2431 130 V 4.4841 7.5322 111.3250 58.5297 35.7003 174.5534 131 A 4.4519 8.2924 123.9063 52.0462 18.7442 177.1831 132 D 4.4917 8.5602 123.4137 54.4269 42.2743 177.7595 133 R 4.8579 9.0280 119.7572 55.9660 29.5040 175.4157 134 V 4.9679 8.4311 122.4772 59.8899 35.2908 174.5554 135 T 5.1042 8.6807 119.4893 61.8579 71.4655 173.0975 136 F 5.2437 9.3464 124.3922 55.7094 42.7583 174.1994 137 I 5.0459 9.0882 123.9418 59.5814 39.6045 174.8840 138 V 5.0112 8.7165 127.1975 59.7485 34.1255 175.8311 139 D 3.6372 8.7175 124.8106 51.2324 40.2724 175.3156 140 P 4.2339 0.0000 0.0000 64.6867 31.1759 177.0747 141 N 4.6084 7.8911 114.1969 52.7079 38.8111 174.4944 142 N 4.3462 8.2517 116.0392 54.0354 38.1128 172.6486 143 E 4.9639 8.2016 117.1720 54.0489 31.3033 174.8111 144 I 4.5686 9.1265 127.5398 61.5106 37.9399 176.3051 145 Q 4.7757 9.2304 125.1594 55.8028 30.7043 175.5692 146 F 5.0315 7.9421 120.4447 57.1119 42.9227 172.9271 147 V 4.2890 7.5757 124.4731 59.8495 34.3339 174.4421 148 S 4.4069 8.3027 117.8671 56.3596 65.7825 172.3605 149 A 5.2013 8.4445 127.0417 50.5800 22.0768 175.2167 150 T 4.7567 8.4551 116.0225 61.4298 72.7005 174.3280 151 A 4.2067 8.6548 127.7311 53.2453 20.2326 179.1690 152 G 4.1717 8.3708 108.7756 47.0884 0.0000 175.4724 153 S 4.7999 8.4591 114.7958 57.6597 63.6911 174.1975 154 V 3.8967 7.4816 119.8735 62.1844 31.9767 175.8916 155 G 3.9454 8.5227 116.1995 45.0964 0.0000 173.2051 156 R 4.1414 8.1159 119.1987 55.8140 30.5292 177.4053 157 N 4.6805 8.4650 120.2855 52.1586 38.9653 175.5816 158 V 3.7581 7.9554 127.8523 65.7323 31.6376 176.9350 159 D 4.4145 8.1684 117.5516 57.1022 41.1252 177.3893 160 E 3.7240 8.4821 120.0071 59.3445 29.4995 179.0804 161 V 3.2142 7.4137 116.6919 65.7425 31.5859 177.5448 162 L 3.3326 8.0243 120.0813 57.9589 41.7768 178.6871 163 R 2.0000 7.2795 118.6008 58.7605 29.7156 178.5019 164 V 3.1573 7.1283 117.6301 65.6365 31.2769 177.4975 165 L 3.5615 7.4695 120.0691 58.1668 41.3282 178.4612 166 D 4.0270 7.8629 117.8864 57.2586 41.2603 178.0807 167 A 3.9262 8.2624 121.5942 55.0673 18.0816 179.6315 168 L 3.9866 7.9672 117.1958 57.5824 41.7482 178.9632 169 Q 4.3093 7.4265 116.2831 56.4945 29.0836 176.3728 170 S 4.5758 7.3247 110.8940 56.7054 64.4797 173.4092 171 D 4.3411 7.8661 119.7286 55.1297 38.8317 173.6591 172 E 4.0914 7.7602 118.8827 56.2884 30.1939 176.2782 173 L 4.3248 8.4783 125.1080 55.3719 42.8450 176.0884 174 C 4.7114 8.2850 117.3520 57.3837 29.4495 174.6424 175 A 4.0161 8.7156 128.5782 55.1669 18.1190 178.8797 176 S 4.4284 7.9742 108.0167 59.9563 63.5064 174.6122 177 N 4.5938 7.8477 117.8951 53.9921 38.8312 175.2829 178 W 4.3099 7.8807 128.5349 58.5811 31.3922 175.9927 179 R 3.5962 7.6591 123.0775 56.6296 29.6382 175.8719 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 P 0.00 4.36 0.00 2.18 2.09 0.00 3.55 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 1.99 2.06 0.00 3 L 8.16 4.15 0.00 1.70 1.58 0.99 0.65 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 4 L 8.69 4.30 0.00 1.67 1.72 0.88 0.63 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 5 T 8.93 4.80 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 1.30 0.00 0.00 6 I 8.46 3.95 1.91 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 1.37 0.96 0.96 0.00 0.00 7 G 9.55 4.05 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 0.00 0.00 0.00 8 D 8.10 4.67 0.00 2.79 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 9 Q 8.55 4.54 0.00 1.93 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.95 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 10 F 9.08 4.18 0.00 2.93 3.19 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 11 P 0.00 4.21 0.00 1.83 1.77 0.00 2.20 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.68 0.00 12 A 8.18 4.24 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 13 Y 8.03 4.78 0.00 3.10 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 14 Q 8.53 4.58 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 15 L 9.26 4.94 0.00 1.61 1.62 0.82 0.68 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 16 T 8.67 4.48 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 17 A 9.67 5.19 1.29 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 0.00 0.00 0.00 18 L 8.67 4.89 0.00 2.17 1.74 1.06 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 19 I 8.57 4.06 2.10 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 1.19 0.57 0.94 0.00 0.00 20 G 8.58 3.61 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 0.00 0.00 0.00 21 G 8.93 3.88 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 0.00 0.00 0.00 22 D 8.27 4.90 0.00 2.68 2.56 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 23 L 8.57 4.20 0.00 1.56 1.62 0.41 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.19 4.34 0.00 3.66 3.78 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 25 K 7.85 4.25 0.00 1.74 1.75 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.37 1.25 7.81 26 V 7.36 3.78 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 0.82 0.00 0.00 0.93 0.00 0.00 27 D 8.55 4.47 0.00 2.69 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 28 A 8.47 4.34 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 29 K 8.01 4.17 0.00 1.79 1.74 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.36 1.00 7.81 30 Q 8.45 4.75 0.00 1.91 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.71 0.00 0.00 0.00 0.00 0.00 2.19 2.20 0.00 31 P 0.00 4.64 0.00 2.30 2.24 0.00 3.60 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 2.16 2.19 0.00 32 G 8.08 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 7.78 4.43 0.00 2.37 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.40 4.32 0.00 2.00 2.43 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 35 F 7.29 5.78 0.00 3.00 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 36 T 8.75 4.89 4.31 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 1.27 0.00 0.00 37 T 8.52 4.86 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 1.24 0.00 0.00 38 I 9.37 5.00 2.02 0.00 0.00 1.00 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 1.84 1.13 0.00 0.00 39 T 8.55 5.13 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 1.20 0.00 0.00 40 S 7.89 3.66 0.00 3.65 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 41 D 7.46 4.71 0.00 2.65 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 42 E 7.93 3.99 0.00 2.04 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 2.18 2.06 0.00 43 H 7.69 5.17 0.00 3.24 3.25 0.00 5.68 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 P 0.00 4.42 0.00 2.18 2.05 0.00 3.88 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 2.00 1.97 0.00 45 G 9.02 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 0.00 0.00 0.00 46 K 7.38 4.98 0.00 1.86 1.94 0.00 1.85 0.00 0.00 1.81 0.00 0.00 2.80 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.64 7.81 47 W 9.36 4.46 0.00 3.30 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 48 R 9.23 4.96 0.00 1.67 1.76 0.00 3.26 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 49 V 8.95 4.46 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 0.70 0.00 0.00 1.10 0.00 0.00 50 V 8.46 4.57 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 0.57 0.00 0.00 0.53 0.00 0.00 51 F 8.89 5.44 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 52 F 10.11 5.82 0.00 3.09 2.99 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 0.00 53 W 7.95 5.29 0.00 3.37 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 54 P 0.00 4.60 0.00 2.19 2.23 0.00 4.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.28 0.00 55 K 7.88 4.82 0.00 1.72 1.68 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.51 7.81 56 D 9.22 3.37 0.00 2.12 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 0.00 0.00 0.00 0.00 57 F 5.46 3.54 0.00 2.98 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 T 7.10 4.69 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 1.31 0.00 0.00 59 F 8.95 4.05 0.00 3.05 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 60 V 7.25 4.17 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 0.70 0.00 0.00 0.96 0.00 0.00 61 C 8.49 4.17 0.00 3.10 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.24 0.00 2.22 2.07 0.00 3.74 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.09 0.00 63 T 7.77 4.12 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 1.20 0.00 0.00 64 E 8.33 3.77 0.00 1.99 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.14 0.00 65 I 7.61 3.77 1.90 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.68 0.74 0.00 0.00 66 A 7.78 4.07 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.11 3.90 1.25 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 0.00 0.00 68 F 7.43 4.42 0.00 3.27 3.14 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 69 S 7.88 4.72 0.00 3.80 3.83 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 0.00 0.00 0.00 70 K 8.54 4.23 0.00 1.82 1.72 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.77 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.34 7.81 71 L 8.54 4.71 0.00 2.00 2.05 1.03 0.52 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 72 N 8.55 4.44 0.00 3.18 2.98 0.00 0.00 7.25 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 73 D 8.25 4.47 0.00 2.86 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.63 4.02 0.00 2.04 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 75 F 8.30 4.09 0.00 3.39 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 76 E 8.38 4.03 0.00 2.12 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 2.44 2.73 0.00 77 D 7.90 4.74 0.00 2.88 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 78 R 7.02 4.44 0.00 1.78 1.83 0.00 3.22 0.00 0.00 2.97 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.61 0.00 79 D 8.65 4.46 0.00 2.96 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 80 A 8.21 5.47 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 81 Q 9.37 4.55 0.00 2.09 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.94 0.00 0.00 0.00 0.00 0.00 1.69 2.21 0.00 82 I 8.24 4.39 1.23 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 0.76 0.27 -0.12 0.00 0.00 83 L 8.85 4.74 0.00 1.42 1.45 1.03 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 84 G 9.06 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 0.00 0.00 0.00 0.00 85 V 8.25 4.46 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 0.00 0.00 0.71 0.00 0.00 0.34 0.00 0.00 86 S 7.86 4.49 0.00 3.40 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 87 I 8.29 4.25 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 1.40 0.67 0.90 0.00 0.00 88 D 7.49 4.51 0.00 2.64 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 G 7.52 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 V 7.77 4.00 1.64 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 0.46 0.00 0.00 0.68 0.00 0.00 125 L 7.73 4.37 0.00 1.57 1.51 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 126 N 8.68 4.91 0.00 2.95 3.21 0.00 0.00 6.59 7.82 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 0.00 127 A 8.41 4.03 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 0.00 128 D 8.07 4.52 0.00 2.86 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 G 8.74 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 0.00 0.00 0.00 130 V 7.53 4.48 2.29 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 0.80 0.00 0.00 1.02 0.00 0.00 131 A 8.29 4.45 1.42 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 0.00 132 D 8.56 4.49 0.00 2.61 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 0.00 133 R 9.03 4.86 0.00 2.05 2.06 0.00 3.46 0.00 0.00 3.50 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.66 0.00 134 V 8.43 4.97 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.48 0.00 0.00 135 T 8.68 5.10 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 0.84 0.00 0.00 136 F 9.35 5.24 0.00 2.83 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 I 9.09 5.05 2.15 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.99 1.22 0.00 0.00 138 V 8.72 5.01 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 0.50 0.00 0.00 0.89 0.00 0.00 139 D 8.72 3.64 0.00 1.58 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 P 0.00 4.23 0.00 1.86 2.03 0.00 2.74 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 1.73 1.69 0.00 141 N 7.89 4.61 0.00 2.69 2.75 0.00 0.00 6.97 8.00 0.00 0.00 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 N 8.25 4.35 0.00 2.97 3.06 0.00 0.00 6.75 7.17 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 0.00 143 E 8.20 4.96 0.00 2.00 2.05 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 2.24 2.33 0.00 144 I 9.13 4.57 2.22 0.00 0.00 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 1.50 0.90 1.22 0.00 0.00 145 Q 9.23 4.78 0.00 2.14 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.53 0.00 0.00 0.00 0.00 0.00 2.49 2.59 0.00 146 F 7.94 5.03 0.00 3.07 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 0.00 147 V 7.58 4.29 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 0.66 0.00 0.00 0.22 0.00 0.00 148 S 8.30 4.41 0.00 3.26 3.54 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 0.00 149 A 8.44 5.20 1.09 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 0.00 150 T 8.46 4.76 4.30 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 1.25 0.00 0.00 151 A 8.65 4.21 1.28 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 0.00 0.00 0.00 152 G 8.37 4.17 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 0.00 153 S 8.46 4.80 0.00 3.88 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 0.00 154 V 7.48 3.90 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 0.79 0.00 0.00 1.02 0.00 0.00 155 G 8.52 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 0.00 156 R 8.12 4.14 0.00 2.19 1.97 0.00 3.81 0.00 0.00 3.68 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.78 0.00 157 N 8.46 4.68 0.00 2.78 2.76 0.00 0.00 6.78 7.71 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 0.00 158 V 7.96 3.76 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 0.88 0.00 0.00 -0.14 0.00 0.00 159 D 8.17 4.41 0.00 2.90 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 0.00 160 E 8.48 3.72 0.00 2.12 2.16 0.00 0.00 0.00 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 2.29 0.00 161 V 7.41 3.21 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.16 0.00 0.00 162 L 8.02 3.33 0.00 1.43 1.78 0.10 0.79 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 0.00 163 R 7.28 2.00 0.00 0.74 1.43 0.00 2.92 0.00 0.00 2.90 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.50 0.00 164 V 7.13 3.16 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.48 0.00 0.00 165 L 7.47 3.56 0.00 1.65 1.47 0.33 0.98 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 0.00 166 D 7.86 4.03 0.00 2.55 2.27 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 0.00 167 A 8.26 3.93 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 0.00 168 L 7.97 3.99 0.00 1.51 1.86 1.01 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 169 Q 7.43 4.31 0.00 1.71 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.69 0.00 0.00 0.00 0.00 0.00 1.47 1.53 0.00 170 S 7.32 4.58 0.00 3.93 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 0.00 171 D 7.87 4.34 0.00 2.84 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 0.00 172 E 7.76 4.09 0.00 1.86 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 2.36 2.39 0.00 173 L 8.48 4.32 0.00 1.67 1.70 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 174 C 8.29 4.71 0.00 3.17 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 A 8.72 4.02 1.29 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 0.00 0.00 0.00 176 S 7.97 4.43 0.00 4.01 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 N 7.85 4.59 0.00 3.08 2.95 0.00 0.00 6.90 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 0.00 178 W 7.88 4.31 0.00 3.26 3.14 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 0.00 179 R 7.66 3.60 0.00 1.46 1.55 0.00 3.02 0.00 0.00 2.97 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.50 0.00 * Residues marked with a * may have inaccurate shift predictions.