NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -5 L 3.9995 8.1849 120.7311 54.3115 42.6929 175.2788 -4 Y 4.5676 8.3488 112.0266 58.0188 39.8682 175.0462 *-3 F 4.8252 8.5042 121.1119 54.4451 42.0726 176.6857 -2 Q 4.4362 8.2074 115.9799 56.1881 28.1985 175.5099 -1 S 5.3376 8.5428 117.2907 58.7392 64.2114 176.4308 0 N 4.9484 7.6573 119.2234 51.6934 37.3868 179.2068 *-3 K 4.5252 8.4942 121.2119 52.9451 35.5726 177.4857 -2 I 4.2662 7.8874 116.0799 61.5881 37.5985 175.9099 -1 G 4.8276 8.5628 110.3907 45.5392 0.0000 176.7308 0 V 4.3284 7.2873 119.7234 60.7934 31.3868 180.3068 6 L 4.2534 8.7003 131.5807 55.7744 41.8882 176.0189 7 G 3.8631 7.2744 113.9807 45.9969 0.0000 170.1356 8 L 4.4997 7.6912 118.5132 53.6483 42.6766 177.7716 9 Q 3.5931 8.0469 120.9701 59.4544 29.2978 180.1429 10 G 3.6691 7.8866 107.9012 47.8724 0.0000 174.0597 11 A 4.2947 7.7956 121.3311 53.2472 19.2701 178.2607 12 V 4.4247 7.4285 110.1086 61.6462 32.4733 178.6130 13 R 3.9792 8.1796 124.9106 61.8191 29.1135 181.9298 14 E 4.1978 8.1237 118.7447 59.3445 29.4828 179.0822 15 H 4.1352 8.0976 116.0875 58.6661 28.7946 177.6989 16 V 3.6084 7.9346 120.0567 66.1864 31.3007 178.2558 17 R 3.9213 8.2055 117.5623 59.2671 29.6618 178.9845 18 A 4.0712 7.9130 119.6059 55.0644 18.7852 179.5311 19 I 3.9088 7.8748 118.3471 64.7951 37.2013 178.6614 20 E 4.6154 8.8837 120.7776 58.7302 29.0080 179.1951 21 A 3.9843 8.1430 120.4094 54.6564 18.3632 178.3505 22 C 4.5257 7.6346 113.0525 59.1103 28.4478 173.8367 23 G 3.7773 8.2736 108.2451 46.6177 0.0000 173.5520 24 A 4.8808 7.7535 119.3199 49.5600 22.8776 175.8902 25 E 4.6650 8.7004 118.9012 55.5440 30.4748 176.0758 26 A 5.3552 8.5566 126.8688 51.1092 20.2739 176.5840 27 V 4.3175 8.1598 121.1613 60.8310 34.0321 175.0742 28 I 4.0356 8.5038 129.4560 61.3466 37.3421 175.4261 29 V 4.2164 8.3459 127.4865 61.5048 32.7956 174.3748 30 K 3.9382 9.0002 126.9769 57.5447 34.1884 176.0432 31 K 4.3235 7.5731 118.2874 54.9910 33.5282 178.0474 32 S 4.1292 8.7027 117.8366 61.7614 62.6895 176.4965 33 E 4.0090 8.1984 122.0847 58.9703 29.1653 178.3301 34 Q 4.1608 7.8710 116.8812 58.0064 28.9698 177.9740 35 L 4.1239 7.9295 120.6387 57.3022 41.3907 178.8924 36 E 4.0181 7.9356 117.9764 59.5079 29.4526 178.2615 37 G 3.9079 8.0390 103.7864 45.8621 0.0000 173.3567 38 L 4.6618 7.7973 120.0129 54.2769 42.7360 176.3381 39 D 4.6851 8.5206 119.8428 55.6254 42.0722 176.2375 40 G 4.3923 7.9271 103.0115 45.7342 0.0000 172.4721 41 L 5.3644 9.2754 121.6356 53.4327 45.4761 175.2972 42 V 4.2955 8.3664 125.3979 61.3935 33.9125 174.2956 43 L 4.9866 8.9054 128.6856 52.2773 42.5616 175.4007 44 P 3.9598 0.0000 0.0000 62.4485 32.1209 178.4502 45 G 3.8006 7.7414 107.3514 46.9569 0.0000 171.5042 46 G 3.8760 8.0967 105.1114 45.7900 0.0000 171.8481 47 E 4.0928 8.0845 118.4753 56.4189 30.0889 178.2616 48 S 4.1619 8.8319 117.3776 61.7613 63.3243 175.9979 49 T 4.0057 7.9154 110.9953 64.6830 68.8472 176.6445 50 T 4.2077 7.6237 117.5413 63.8026 68.1017 176.3885 *52 R 4.1996 8.1803 122.5451 56.5823 31.9492 177.6594 53 R 3.8904 8.1069 116.7656 59.0272 29.9451 178.8331 54 L 3.9994 8.1322 120.1992 58.3077 42.1438 179.0234 55 I 3.7383 7.7335 119.1552 64.4990 36.9670 178.1074 56 D 4.3415 8.2461 121.9877 58.1073 40.5256 179.5762 57 R 3.6891 8.2108 116.6476 59.0532 29.3232 178.8264 58 Y 4.6145 7.9613 113.2745 56.6383 38.4296 175.7828 59 G 3.9787 7.4653 107.7521 46.7441 0.0000 175.0766 60 L 4.2872 7.8495 117.7906 53.7663 41.4285 178.4123 *62 E 4.2962 7.9122 121.2674 56.0502 32.1363 177.1520 63 P 4.3748 0.0000 0.0000 65.7618 31.2587 178.6332 64 L 4.0584 8.3973 118.0867 57.7962 41.5543 179.7334 65 K 4.1392 8.0696 117.9817 59.3849 32.1071 179.3528 66 Q 4.0466 8.6358 119.0177 58.7989 28.7378 178.3698 67 F 4.0838 8.5268 121.6096 61.2988 39.3811 176.9700 68 A 4.4192 8.5939 121.4814 54.7826 18.0526 179.5258 69 A 3.9752 8.0151 117.6215 54.7440 18.5008 178.8139 70 A 4.1814 7.5543 117.0515 52.3392 18.6647 178.3719 71 G 3.7296 7.9257 105.9011 45.1082 0.0000 174.1190 72 K 3.8537 6.9379 119.0268 55.1795 32.5057 175.7666 73 P 5.2882 0.0000 0.0000 61.9274 33.2663 174.5579 *75 F 4.7988 8.5697 121.7318 58.5969 40.4573 174.0607 76 G 4.2798 9.1061 115.3014 45.1512 0.0000 171.5599 77 T 4.7652 8.2203 115.4115 60.0947 71.7666 173.9722 78 C 3.9966 8.8707 122.7872 59.0736 31.8121 175.9779 79 A 4.1042 8.5551 116.5639 54.3585 17.6119 179.3215 80 G 3.5416 8.2366 104.6070 47.3982 0.0000 175.5722 81 L 3.9459 8.0303 123.0689 58.1834 41.9995 179.0134 82 I 3.7074 7.7434 119.8738 64.3432 36.9285 178.2093 83 L 4.1844 7.7210 119.8837 57.6250 41.5710 178.9398 84 L 3.8508 7.8240 116.6823 54.9432 42.0395 176.6560 85 A 4.4367 7.2287 121.5043 51.7523 19.3653 178.5712 86 K 4.1539 8.5943 118.5289 58.3344 33.3207 177.7799 87 R 4.7073 8.0554 116.7573 54.2639 34.4215 174.7502 88 I 4.9496 8.1825 121.3914 59.4863 40.5534 174.8914 89 V 3.9839 8.3302 126.0413 62.3434 32.8755 174.2713 90 G 2.3358 8.3295 113.4710 43.4921 0.0000 172.0076 91 Y 4.1730 7.5668 117.1183 57.9879 38.3498 175.9383 92 D 4.4714 8.6077 124.1281 54.6235 41.9575 174.5579 93 E 4.6600 8.1674 120.9902 54.5059 32.1974 172.8928 94 P 4.3011 0.0000 0.0000 63.1120 31.5867 176.0546 95 H 4.9485 8.2615 117.6629 54.5356 31.0975 173.4139 96 L 4.1759 9.3060 123.8131 54.3778 41.9513 176.9175 97 G 3.8605 7.7593 106.6776 46.8692 0.0000 173.9656 98 L 3.9780 7.4472 116.6663 54.1543 42.1424 177.7341 *100 D 4.6026 7.6400 118.7446 54.0410 41.1930 173.9510 101 I 5.1722 7.2624 113.7218 59.4952 42.4251 175.5079 102 T 5.0428 8.8080 120.2867 62.0617 70.8698 173.9966 103 V 5.0043 8.6063 118.4223 59.5949 36.4555 174.2255 104 E 4.9913 8.9648 122.5990 54.4070 33.3239 175.3849 105 R 4.3430 8.6980 125.3000 56.1184 31.2312 177.1408 106 N 4.4110 9.0189 119.6392 56.8689 39.1496 177.2421 107 S 4.2527 8.2722 111.1038 61.1397 63.0460 175.1891 108 F 4.2506 8.1384 122.3902 60.6155 39.3385 176.8919 109 G 3.7393 8.1126 111.2852 48.0456 0.0000 174.4942 110 R 4.3467 7.4263 120.6681 56.3009 33.2655 177.3214 111 Q 4.6097 8.5434 111.4946 56.6057 27.9758 173.9822 112 R 4.1929 7.6778 118.5125 56.2155 29.9781 178.5461 113 E 4.3750 8.6376 123.9773 54.7489 30.3269 177.1844 114 S 4.7267 8.5170 117.1697 59.2048 63.8060 173.0555 115 F 5.0454 8.8064 115.9969 56.1628 41.7853 172.3789 116 E 5.2446 8.9260 117.7157 54.5638 32.4125 175.6402 117 A 4.8368 8.9065 124.4730 50.0510 23.0801 174.9913 118 E 4.5527 8.9281 120.6911 56.3131 30.4138 176.3790 119 L 4.9316 9.3032 123.8380 52.9416 46.0380 175.6197 120 S 4.7391 8.7629 116.4173 57.0356 63.7225 173.3547 121 I 4.5195 8.6176 130.1842 59.0059 38.7694 175.6911 122 K 3.8615 8.9123 129.8680 58.0382 32.2009 177.0162 123 G 3.9881 9.0018 113.6133 45.8054 0.0000 173.1254 124 V 4.0609 8.8125 116.9947 63.7447 33.5448 175.3993 125 G 4.4106 7.0586 106.6452 43.9933 0.0000 171.2866 126 D 5.0247 8.0301 120.3548 53.5637 42.8518 176.5944 127 G 3.8411 8.6554 106.3881 46.4955 0.0000 173.1699 128 F 4.3153 8.1287 123.3262 57.0806 40.4467 174.7495 129 V 4.1025 7.7715 127.2868 62.4582 31.9875 175.2363 130 G 3.4025 9.1891 117.1287 45.0135 0.0000 172.0376 131 V 4.3716 8.1451 125.6299 61.4125 33.4341 174.5073 132 F 4.7890 8.8174 129.0343 56.0041 40.2739 175.6535 133 I 4.6771 7.8997 124.6146 59.4609 40.1415 175.7010 134 R 3.8374 8.9165 127.4790 56.9540 27.4844 176.7180 135 A 4.3911 8.2181 119.2732 51.2453 19.0026 177.0144 136 P 4.6399 0.0000 0.0000 63.1075 32.9481 174.9067 137 H 5.0295 9.3550 120.8601 54.5992 32.1077 173.2892 138 I 4.4354 8.4707 126.9807 60.5107 36.7419 175.7403 139 V 3.6337 8.7258 129.4364 65.4557 32.0639 175.9202 140 E 4.8734 7.8535 118.6203 54.8465 33.1795 173.7089 141 A 5.0762 8.4062 125.7053 50.0586 22.3980 176.2530 142 G 4.3596 9.0258 109.6187 45.0108 0.0000 174.2388 143 D 4.4830 8.8965 119.3737 57.0424 41.1590 177.4200 144 G 3.7841 7.9854 105.3443 46.2044 0.0000 173.2793 145 V 4.0097 7.5521 121.0573 61.9065 32.2538 174.6286 146 D 4.6575 9.2501 128.2718 53.2434 41.9936 175.3389 147 V 4.0486 8.4089 127.3102 62.9996 31.6801 175.3611 148 L 4.5873 9.0523 127.8281 56.0986 43.7449 176.3605 149 A 5.0812 7.6953 118.2278 50.9705 22.4990 175.3479 150 T 5.2654 8.5301 109.3756 60.3663 72.7355 172.8899 151 Y 4.5906 8.9595 123.1370 57.0950 41.2986 174.8795 152 N 3.9389 8.9285 124.9387 54.4791 36.1828 174.6207 153 D 4.5126 8.2617 113.4123 54.9014 38.8573 173.9618 154 R 4.6284 7.7402 119.1586 54.3744 31.6668 175.9276 155 I 4.3995 8.3644 123.1234 61.7259 37.6446 176.1645 156 V 4.7945 9.0534 116.9873 61.1494 34.5223 175.2924 157 A 5.1747 7.9984 121.9099 50.6306 22.5722 174.9610 158 A 5.1381 9.3508 123.1583 50.7862 23.5853 174.9897 159 R 5.0952 9.1349 118.9470 54.9225 34.4526 174.3750 160 Q 4.5808 9.3243 126.8519 54.3118 31.8329 175.8241 161 G 3.7716 8.9637 119.3190 46.9870 0.0000 173.9193 162 Q 4.0390 8.3469 124.5618 56.3349 29.0433 174.4744 163 F 5.2236 7.9189 119.2874 56.1137 41.1864 174.5365 164 L 5.2109 8.7576 124.5061 53.3060 45.5151 175.1626 165 G 4.7131 9.3391 112.2999 44.9430 0.0000 171.0984 166 C 5.3274 8.8698 117.0282 56.5247 33.0918 174.6256 167 S 4.5804 9.1234 115.0910 58.9032 64.2345 173.8884 168 F 4.3773 6.9336 115.6186 55.7551 40.0078 175.5262 169 H 4.6779 8.4084 118.0732 53.3091 27.9339 173.7469 170 P 4.7754 0.0000 0.0000 65.0484 31.6655 178.9508 171 E 4.1917 8.0593 115.7622 58.1658 29.7709 176.8579 172 L 4.5247 7.7551 119.4860 54.7936 41.8102 175.9597 173 T 4.5821 7.2132 110.5694 60.6677 70.3828 173.2440 174 D 4.4707 8.3701 123.7031 54.2256 41.1636 176.2457 175 D 4.3597 7.5790 120.0637 54.4997 40.6333 175.1682 176 H 5.0156 8.6144 123.1559 55.8492 29.3013 176.7120 177 R 4.1843 8.4615 121.6000 59.3020 30.1928 178.0481 178 L 4.0422 7.9935 118.2703 55.5888 42.0445 177.9917 *180 Q 4.2943 8.1957 119.9165 55.7788 30.7382 176.3091 181 Y 4.0249 8.1822 117.3092 60.7218 38.7840 177.7171 182 F 4.2850 8.2681 120.3313 61.3563 39.7403 176.8274 183 L 3.9208 7.9597 118.0758 57.4619 41.3550 179.3964 184 N 4.5281 8.0398 115.4759 53.3898 38.4166 177.2572 *186 V 3.7293 7.7910 121.8341 62.8435 33.3834 177.5207 187 K 3.8932 8.1034 118.2496 59.4814 31.8776 178.8353 188 E 4.0089 7.9433 117.3678 59.3621 29.6749 178.9897 189 A 4.0835 7.7392 120.2760 54.7341 18.4324 179.7939 190 K 4.0523 7.9196 115.7923 56.8769 32.1196 178.5554 *192 A 4.2191 7.9838 121.9792 51.6374 20.7337 180.0075 193 S 4.1121 8.0510 111.0423 61.8318 62.6342 176.9094 194 S 4.1967 7.9486 117.7334 60.7314 62.5886 175.7870 195 L 4.4688 7.4894 121.9037 56.0364 42.0564 177.3875 196 K 4.0491 7.4630 123.7179 55.2416 33.4892 179.7163 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 -5 L 8.18 4.00 0.00 1.68 1.58 0.92 0.46 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 -4 Y 8.35 4.57 0.00 2.99 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 *-3 F 8.50 4.83 0.00 2.28 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 0.00 0.00 0.00 -2 Q 8.21 4.44 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.82 0.00 0.00 0.00 0.00 0.00 2.36 1.91 0.00 -1 S 8.54 5.34 0.00 3.84 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 0 N 7.66 4.95 0.00 2.74 2.55 0.00 0.00 6.78 7.44 0.00 0.00 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 K 8.49 4.53 0.00 0.98 0.78 0.00 0.61 0.00 0.00 2.40 0.00 0.00 2.13 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.27 0.93 7.81 -2 I 7.89 4.27 1.87 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 1.43 1.43 0.91 0.00 0.00 -1 G 8.56 4.83 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 0.00 0.00 0.00 0 V 7.29 4.33 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 0.75 0.00 0.00 0.93 0.00 0.00 6 L 8.70 4.25 0.00 1.76 1.51 0.87 0.85 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 7 G 7.27 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 0.00 0.00 0.00 8 L 7.69 4.50 0.00 1.71 1.58 0.93 0.81 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 9 Q 8.05 3.59 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 10 G 7.89 3.67 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 0.00 0.00 0.00 11 A 7.80 4.29 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 12 V 7.43 4.42 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 0.76 0.00 0.00 0.98 0.00 0.00 13 R 8.18 3.98 0.00 1.81 1.94 0.00 3.25 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.30 0.00 14 E 8.12 4.20 0.00 1.91 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 2.37 2.31 0.00 15 H 8.10 4.14 0.00 3.39 3.32 0.00 5.82 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 7.93 3.61 2.25 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 1.13 0.00 0.00 1.01 0.00 0.00 17 R 8.21 3.92 0.00 2.06 1.98 0.00 3.47 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.92 0.00 18 A 7.91 4.07 1.43 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 19 I 7.87 3.91 2.08 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 1.66 1.31 0.98 0.00 0.00 20 E 8.88 4.62 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 21 A 8.14 3.98 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 22 C 7.63 4.53 0.00 3.18 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 23 G 8.27 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 0.00 0.00 0.00 24 A 7.75 4.88 1.24 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 0.00 0.00 0.00 25 E 8.70 4.67 0.00 1.88 1.92 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 2.29 2.32 0.00 26 A 8.56 5.36 1.27 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 27 V 8.16 4.32 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 0.84 0.00 0.00 0.94 0.00 0.00 28 I 8.50 4.04 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.90 0.86 0.00 0.00 29 V 8.35 4.22 1.98 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 0.85 0.00 0.00 0.84 0.00 0.00 30 K 9.00 3.94 0.00 1.47 1.63 0.00 1.65 0.00 0.00 1.48 0.00 0.00 2.88 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.52 0.21 7.81 31 K 7.57 4.32 0.00 1.78 1.66 0.00 1.69 0.00 0.00 1.86 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.23 7.81 32 S 8.70 4.13 0.00 4.06 4.16 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 0.00 0.00 0.00 33 E 8.20 4.01 0.00 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7.68 4.19 0.00 1.82 1.78 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 1.55 1.22 0.00 113 E 8.64 4.37 0.00 2.01 1.98 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 2.35 2.33 0.00 114 S 8.52 4.73 0.00 4.04 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 0.00 115 F 8.81 5.05 0.00 3.16 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 0.00 116 E 8.93 5.24 0.00 1.85 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 2.14 2.27 0.00 117 A 8.91 4.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 E 8.93 4.55 0.00 1.92 1.94 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 2.31 2.36 0.00 119 L 9.30 4.93 0.00 1.59 1.54 0.37 0.75 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 0.00 120 S 8.76 4.74 0.00 3.90 3.81 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 0.00 121 I 8.62 4.52 1.72 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.59 0.72 0.00 0.00 122 K 8.91 3.86 0.00 1.74 1.70 0.00 1.87 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.41 7.81 123 G 9.00 3.99 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 0.00 0.00 0.00 124 V 8.81 4.06 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 0.75 0.00 0.00 0.33 0.00 0.00 125 G 7.06 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 0.00 0.00 0.00 0.00 126 D 8.03 5.02 0.00 2.70 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 0.00 127 G 8.66 3.84 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 0.00 0.00 0.00 128 F 8.13 4.32 0.00 3.23 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 0.00 129 V 7.77 4.10 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 0.70 0.00 0.00 0.80 0.00 0.00 130 G 9.19 3.40 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 0.00 131 V 8.15 4.37 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 0.83 0.00 0.00 132 F 8.82 4.79 0.00 1.80 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 I 7.90 4.68 1.82 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.55 0.91 0.00 0.00 134 R 8.92 3.84 0.00 2.01 2.07 0.00 3.24 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 135 A 8.22 4.39 1.52 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 0.00 136 P 0.00 4.64 0.00 2.13 2.11 0.00 3.96 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 137 H 9.36 5.03 0.00 3.27 3.26 0.00 5.77 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 I 8.47 4.44 2.12 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 1.25 0.73 0.92 0.00 0.00 139 V 8.73 3.63 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 0.69 0.00 0.00 0.90 0.00 0.00 140 E 7.85 4.87 0.00 2.00 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 2.28 2.26 0.00 141 A 8.41 5.08 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 G 9.03 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 D 8.90 4.48 0.00 2.64 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 0.00 144 G 7.99 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 0.00 0.00 0.00 145 V 7.55 4.01 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 0.80 0.00 0.00 1.04 0.00 0.00 146 D 9.25 4.66 0.00 2.83 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 0.00 147 V 8.41 4.05 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 0.88 0.00 0.00 0.96 0.00 0.00 148 L 9.05 4.59 0.00 1.60 1.57 0.72 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 149 A 7.70 5.08 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 0.00 150 T 8.53 5.27 4.35 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 1.27 0.00 0.00 151 Y 8.96 4.59 0.00 3.04 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 0.00 152 N 8.93 3.94 0.00 2.63 2.67 0.00 0.00 7.22 8.06 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 0.00 153 D 8.26 4.51 0.00 2.81 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 0.00 154 R 7.74 4.63 0.00 2.14 1.97 0.00 3.11 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 155 I 8.36 4.40 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.52 0.98 0.00 0.00 156 V 9.05 4.79 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 1.11 0.00 0.00 1.32 0.00 0.00 157 A 8.00 5.17 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 0.00 158 A 9.35 5.14 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 0.00 159 R 9.13 5.10 0.00 1.93 1.78 0.00 3.27 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.84 0.00 160 Q 9.32 4.58 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 5.62 0.00 0.00 0.00 0.00 0.00 2.38 2.59 0.00 161 G 8.96 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 0.00 0.00 0.00 162 Q 8.35 4.04 0.00 1.95 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.85 0.00 0.00 0.00 0.00 0.00 1.16 1.44 0.00 163 F 7.92 5.22 0.00 3.21 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 0.00 164 L 8.76 5.21 0.00 1.72 1.17 0.94 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 165 G 9.34 4.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 C 8.87 5.33 0.00 1.80 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 0.00 167 S 9.12 4.58 0.00 4.19 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 0.00 168 F 6.93 4.38 0.00 2.64 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 0.00 169 H 8.41 4.68 0.00 3.31 3.30 0.00 5.81 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 P 0.00 4.78 0.00 2.45 2.62 0.00 3.50 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.86 0.00 171 E 8.06 4.19 0.00 2.11 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 0.00 2.17 2.01 0.00 172 L 7.76 4.52 0.00 1.74 1.65 0.74 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 173 T 7.21 4.58 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 1.02 0.00 0.00 174 D 8.37 4.47 0.00 2.63 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 D 7.58 4.36 0.00 2.36 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 0.00 0.00 0.00 176 H 8.61 5.02 0.00 3.28 3.38 0.00 5.76 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 R 8.46 4.18 0.00 2.24 2.09 0.00 3.37 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.70 0.00 178 L 7.99 4.04 0.00 1.23 1.64 0.70 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 *180 Q 8.20 4.29 0.00 2.42 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.66 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 181 Y 8.18 4.02 0.00 3.09 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 0.00 182 F 8.27 4.29 0.00 2.66 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 0.00 183 L 7.96 3.92 0.00 1.86 1.66 0.97 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 184 N 8.04 4.53 0.00 2.67 2.66 0.00 0.00 6.53 7.43 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 *186 V 7.79 3.73 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 0.90 0.00 0.00 0.18 0.00 0.00 187 K 8.10 3.89 0.00 1.78 1.78 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.55 7.81 188 E 7.94 4.01 0.00 1.86 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 2.26 2.36 0.00 189 A 7.74 4.08 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 0.00 190 K 7.92 4.05 0.00 1.87 1.82 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.40 7.81 *192 A 7.98 4.22 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 0.00 193 S 8.05 4.11 0.00 4.01 4.18 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 0.00 194 S 7.95 4.20 0.00 3.85 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 0.00 195 L 7.49 4.47 0.00 1.57 1.69 0.90 1.12 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 0.00 196 K 7.46 4.05 0.00 1.81 1.49 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.18 1.13 7.81 * Residues marked with a * may have inaccurate shift predictions.