NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 F 4.6305 8.3244 119.4443 57.7970 40.7246 173.4283 7 E 4.5832 8.2378 120.1417 55.1376 32.9604 172.5036 8 T 4.4319 9.6043 125.7078 63.6919 68.6472 174.3026 9 I 4.1501 8.9663 129.6526 63.9839 38.2687 177.1429 10 S 4.5721 7.6792 112.6988 57.5471 65.7122 174.7695 11 S 5.5912 8.8117 119.5329 55.9896 65.1485 173.0407 12 E 4.5911 9.0216 124.8520 54.6384 32.5297 174.4994 13 T 4.5725 8.6357 124.3261 63.3702 68.5730 174.5947 14 L 4.3601 8.7425 127.7076 57.4148 42.7449 177.2318 15 H 4.8496 7.9833 116.2615 55.3718 33.4517 172.5918 16 T 5.0126 8.3865 121.6925 61.7807 70.9747 173.8179 17 G 4.0882 8.6283 118.3003 44.5149 0.0000 172.8885 18 A 4.1603 8.4723 122.1250 54.5485 18.7166 178.7259 19 I 4.4084 7.0558 104.8885 60.4137 39.0775 174.5087 20 F 3.7393 6.4254 114.8933 55.4707 41.4102 172.6412 21 A 5.2950 8.7086 120.4385 50.1581 22.6499 174.6483 22 L 5.1035 9.6320 124.1174 53.6064 44.4133 175.3713 23 R 5.1840 9.1445 125.4902 54.5955 34.3874 173.4435 24 R 5.0344 9.3338 125.0115 54.7634 32.6644 174.0357 25 D 5.8500 9.1679 125.7891 51.8946 45.0227 174.8358 26 Q 4.9542 8.5170 118.8682 54.3779 31.6479 174.9500 27 V 4.4689 8.6754 122.6070 61.6582 35.2463 174.5447 28 R 3.7778 8.8925 120.8516 57.5402 31.0413 175.5702 *34 I 4.6199 7.2118 117.1115 61.6029 39.0458 175.5564 35 V 4.6176 7.8672 115.4197 60.4930 36.3058 173.1889 36 T 4.9409 8.4553 120.1441 62.4487 70.1585 174.5816 37 R 4.5186 9.1348 124.8551 54.5864 33.8559 174.0172 38 E 4.8858 8.8786 124.3885 55.1453 30.7589 176.0021 39 V 4.5615 9.0921 124.9830 61.0388 34.9745 174.5838 40 V 4.5429 8.6968 128.0673 61.2421 32.7686 174.4925 41 E 4.8546 9.2484 129.5919 56.0480 30.2848 175.9305 42 H 4.8509 9.5569 124.0916 54.0690 32.8140 173.7300 43 F 4.4948 8.4650 120.8172 59.9947 39.1476 176.4410 44 G 4.1202 9.6880 105.3113 44.9892 0.0000 171.3546 45 A 5.2897 8.7597 119.3163 50.8603 23.6545 175.4465 46 V 5.0414 9.0010 111.0499 59.7931 35.8669 175.2757 47 A 5.3825 9.1055 125.2221 50.2479 22.9164 174.8172 48 I 4.9933 8.6297 119.4667 59.6756 40.8450 176.0628 49 V 4.1031 9.1007 127.4335 61.2801 32.4023 173.7972 50 A 4.4697 8.2251 129.6197 50.8912 19.5322 174.9623 51 M 5.0721 8.3937 122.4139 55.0134 33.6564 176.0979 52 D 4.7416 9.3206 129.0191 52.5964 41.1576 177.4744 *53 D 4.4097 8.5746 117.4735 55.7748 39.6036 174.7484 54 N 4.8020 8.3316 112.3711 53.3377 39.0569 174.9725 55 G 3.8910 8.5043 106.6229 46.3963 0.0000 173.0764 56 N 5.7946 9.0167 116.7415 51.2522 41.7548 174.0390 57 I 5.7355 9.0416 113.8018 57.5847 41.4281 172.4281 58 P 4.3309 0.0000 0.0000 62.1220 32.6738 174.9791 59 M 5.0478 9.2102 121.2785 53.8986 36.5224 174.6764 60 V 4.7947 8.8531 115.3142 60.0861 34.8447 174.6573 61 Y 4.2606 8.3129 125.2903 55.9872 39.3312 174.3642 62 Q 4.5575 8.1666 128.1936 53.8367 32.5081 173.8207 63 Y 4.3864 8.4498 126.9529 57.6572 40.3362 174.2823 64 R 4.3878 8.3701 126.4131 54.4184 31.7953 175.9172 65 H 3.8791 8.6900 125.5624 59.2532 30.0011 177.2705 66 T 3.5782 7.6592 107.9441 63.9547 68.2245 173.9542 67 Y 4.5456 7.4804 117.0236 56.6113 39.3718 175.8202 68 G 4.0424 8.0687 107.4208 45.9281 0.0000 173.1714 69 R 4.6808 7.0389 114.1104 55.1719 32.8453 173.3633 70 R 4.4574 8.3370 118.1755 55.2620 31.2365 176.3055 71 L 4.8888 8.5041 121.9072 52.6385 46.0405 175.4805 72 W 5.0822 8.8052 121.3808 56.2361 30.1570 175.5394 73 E 4.8632 9.3975 123.3394 54.8171 34.2363 174.4361 74 L 4.6993 8.3687 120.1844 53.2977 43.3841 175.4402 75 P 4.5000 0.0000 0.0000 63.0510 32.1866 175.3682 76 A 5.1553 8.5256 124.4655 51.1248 22.4889 175.1068 77 G 4.3699 8.8971 105.1897 44.4702 0.0000 172.4739 78 L 4.8730 8.4559 120.4514 53.4405 42.8244 177.1680 79 L 4.3899 8.3220 121.9830 54.6206 41.1106 177.5420 80 D 3.3700 7.4100 116.0962 53.5737 40.4605 177.3110 81 V 3.7880 7.1422 120.9649 60.7422 30.3406 173.5662 82 A 4.0780 8.2645 127.9242 53.7110 18.4114 178.3362 83 G 3.9054 8.8780 110.3904 45.4910 0.0000 172.9123 84 E 4.1833 7.9715 121.4339 54.3087 30.3259 174.3954 85 P 4.3258 0.0000 0.0000 62.5262 32.2617 174.8999 86 P 4.3879 0.0000 0.0000 66.3523 31.3927 178.4066 87 H 3.5448 8.2239 112.2784 57.4052 28.4432 177.2272 88 L 3.4902 7.5874 124.1243 58.2585 41.9596 178.6628 89 T 3.8460 7.7397 114.9612 66.7075 68.4452 176.2102 90 A 4.0435 8.2110 122.7193 55.1450 18.2609 179.5920 91 A 4.0257 7.4526 119.2193 54.9327 18.2066 179.9485 92 R 3.8261 7.8744 117.6276 59.5187 29.8252 178.3612 93 E 3.9456 8.2661 119.2588 59.0638 29.6276 178.4259 94 L 4.0353 8.1596 120.5212 58.0858 42.1619 179.0239 95 R 4.0771 7.8943 118.2843 59.7798 29.9427 178.4946 96 E 4.0281 8.3168 117.2020 58.9724 29.4526 178.6641 97 E 4.2632 8.5161 119.1979 58.3316 29.9258 177.6015 98 V 4.3485 7.3696 107.9977 59.8690 34.0648 175.9521 99 G 4.1149 8.3899 108.0669 46.7754 0.0000 173.3106 100 L 5.3209 7.5523 114.7700 52.8862 46.2158 177.6146 101 Q 4.9371 9.4708 123.3647 54.2698 32.1768 173.9516 102 A 5.2250 8.7775 126.3195 50.2848 21.3395 176.2602 103 S 4.4414 9.0450 117.0395 60.5383 64.8910 174.2435 104 T 4.8049 8.0610 117.6795 61.2652 70.9062 173.5450 105 W 5.1439 9.0093 125.6287 55.0568 32.1031 174.7434 106 Q 4.8598 8.9965 122.1248 54.1160 33.6196 174.0986 107 V 3.9734 9.1141 121.7241 62.4553 32.2879 175.4047 108 L 4.3823 8.6474 131.5196 56.1507 42.2593 176.3787 109 V 4.4529 7.1540 116.4365 60.5930 34.3964 171.4963 110 D 5.2653 8.5861 122.9599 52.6348 43.5107 175.2356 111 L 4.7899 8.7617 121.8033 54.2095 44.3423 175.1880 112 D 5.0319 8.6942 121.9850 53.0333 41.1717 176.3042 113 T 3.8622 8.1313 114.2408 64.2711 69.1433 175.2525 114 A 4.5320 7.1381 126.3409 47.9900 18.7970 174.3212 115 P 4.2341 0.0000 0.0000 64.5046 32.0414 178.5276 116 G 3.8117 7.9672 106.7015 48.0848 0.0000 174.5921 117 F 4.8973 7.8648 110.6606 56.6098 40.0089 173.5934 118 S 4.8284 7.1200 114.3372 57.1056 64.9768 172.7187 119 D 4.7388 8.3810 123.8898 53.1111 40.4207 175.5914 120 E 4.2076 7.8883 121.5533 56.9656 30.7866 175.6302 121 S 5.1005 8.7180 119.8120 56.6634 66.7129 172.3066 122 V 5.0197 9.2064 126.0378 61.1747 34.4961 173.9456 123 R 4.0531 7.9960 128.4971 54.1107 31.4478 174.8100 124 V 4.5937 8.3826 127.3483 61.6478 33.3981 174.5581 125 Y 4.9977 9.1316 126.0294 56.6728 41.0339 174.5871 126 L 5.0582 9.1192 123.4395 53.5606 44.4317 174.6896 127 A 4.5120 8.2718 129.4871 50.3700 20.9831 175.7865 128 T 4.7263 8.1199 112.0690 59.5135 73.2971 173.2747 129 G 3.8587 8.1507 105.4671 46.2687 0.0000 173.6167 130 L 4.7447 7.5324 117.0470 54.6521 43.4023 178.6058 131 R 4.5945 9.0148 122.7085 54.6431 33.6188 173.7177 132 E 4.7564 8.9998 126.4692 56.5162 30.0126 176.3837 133 V 4.3835 8.6102 116.9383 59.6401 35.6557 175.5857 134 G 3.6840 8.5225 105.5636 46.4007 0.0000 172.5527 135 R 3.7283 8.3877 123.9415 56.4767 27.9406 175.8154 *146 T 4.4236 7.8698 114.0152 61.9222 70.6081 172.5007 147 M 5.3918 8.5317 118.8928 54.9998 34.5171 173.3015 148 G 4.3602 9.7881 105.6495 44.8898 0.0000 171.5041 149 W 5.3204 8.5844 120.2401 55.1122 31.0784 175.4728 150 Y 4.7806 9.2280 121.9437 55.3339 41.4406 173.5995 151 P 5.0607 0.0000 0.0000 61.8622 32.4901 177.1862 152 I 3.7026 8.7092 124.0818 64.8072 37.0791 178.4574 153 A 3.9343 8.0322 120.7013 55.1315 18.2388 179.1749 154 E 3.8238 8.1459 116.9777 59.3925 29.9124 178.4828 155 A 3.8262 8.1255 120.6077 55.2087 18.4299 179.5074 156 A 3.8337 8.0934 119.1173 55.4370 17.9691 180.1865 157 R 3.9027 7.9516 116.4275 59.1783 29.9668 179.5380 158 R 4.0813 8.3417 118.6788 58.9064 29.9873 179.1540 159 V 3.6820 7.5167 118.0558 66.0157 31.4515 177.7007 160 L 4.2506 7.5967 115.0572 55.8207 41.5480 177.9308 161 R 4.5020 7.2976 116.6656 55.2745 30.7260 176.1634 162 G 3.9141 7.9025 105.1784 46.6863 0.0000 174.4941 163 E 4.2013 8.2800 118.8716 57.1795 29.8548 176.6555 164 I 4.5734 7.5487 118.7816 59.7250 39.4161 175.0507 165 V 4.1990 8.2895 117.9594 61.0832 34.1019 176.4247 166 N 4.2109 8.2350 118.4278 53.9906 39.4919 174.8332 167 S 4.1318 8.8930 123.3420 62.0076 62.8927 176.7044 168 I 3.6828 7.8792 122.4807 63.8353 36.8952 178.1460 169 A 3.9684 8.2517 121.5934 55.1633 18.2183 179.5509 170 I 3.5621 8.1025 118.5436 64.5333 37.2568 178.3738 171 A 4.0602 8.0154 121.4576 55.2064 18.2397 179.9976 172 G 3.4629 8.0980 104.0890 47.8076 0.0000 176.0741 173 V 3.5690 8.1303 121.4007 65.8651 31.5616 178.2642 174 L 4.0758 8.1509 118.3232 57.2425 41.4712 179.5389 175 A 3.9861 7.9644 121.3525 55.1686 18.4442 180.1078 176 V 3.6918 7.9191 117.2959 64.7753 31.2587 177.9209 177 H 4.4435 8.3398 120.1035 58.3525 29.6881 176.9724 178 A 4.0044 7.8137 122.6034 54.7753 18.1989 179.8627 179 V 3.9488 7.9495 118.3438 65.8001 31.3859 178.4599 180 T 3.9920 8.4846 109.9715 64.1734 68.3412 175.4584 181 T 4.3743 7.4758 110.7498 61.2315 69.4217 175.7067 182 G 3.9661 8.0519 110.2165 45.6631 0.0000 174.6607 183 F 4.0844 7.9012 120.7202 60.3902 39.5607 174.0827 184 A 4.7367 8.1136 121.4422 50.3010 22.0954 174.1251 185 Q 4.6098 8.1347 115.5107 53.6129 32.3172 174.6742 186 P 4.7222 0.0000 0.0000 62.5160 33.2593 175.2684 187 R 4.7880 8.5602 117.3781 54.3532 35.2591 173.5127 188 P 4.6992 0.0000 0.0000 62.6744 32.0661 177.9701 189 L 4.1640 8.6767 122.0049 57.6678 41.7712 177.9178 190 D 4.7262 8.0188 115.7812 53.4301 39.7034 176.4832 191 T 3.9204 7.5826 117.4881 63.7638 68.8373 173.8765 192 E 4.0968 8.8240 124.5718 56.4243 30.2608 177.2406 193 W 4.7751 8.5601 133.4265 55.0734 29.7515 175.7935 194 I 3.6722 8.3723 123.5050 64.3263 36.8335 176.9592 195 D 4.6563 8.0011 116.4821 53.9445 40.7678 176.5157 196 R 2.5100 6.7030 119.7032 55.5799 30.0210 174.8884 197 P 4.4481 0.0000 0.0000 63.0485 32.2202 176.1152 198 T 4.5946 8.1666 106.3915 61.0120 71.9215 175.6970 199 A 3.9546 8.2849 123.5878 55.3837 18.6295 178.7462 200 F 4.2153 8.1863 117.7294 61.4659 39.4854 177.1535 201 A 4.0887 8.1125 119.5440 54.9667 18.0248 179.1703 202 A 4.0992 7.8108 118.4192 54.7694 18.4451 179.8156 203 R 3.8125 7.4584 116.4053 57.9079 30.9718 177.5341 204 R 3.6609 7.2032 113.3385 57.2882 27.9794 176.6532 205 A 4.2620 7.3628 113.6035 52.4002 18.4993 177.2659 206 E 4.8038 7.7842 116.2838 56.0569 33.1510 175.5774 207 R 4.1181 8.1940 117.9022 56.7858 30.1965 174.3603 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 6 F 8.32 4.63 0.00 2.99 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.24 4.58 0.00 2.17 1.76 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 2.30 2.49 0.00 8 T 9.60 4.43 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 9 I 8.97 4.15 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.76 0.92 0.00 0.00 10 S 7.68 4.57 0.00 3.84 3.91 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 0.00 0.00 0.00 11 S 8.81 5.59 0.00 3.76 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 12 E 9.02 4.59 0.00 2.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 13 T 8.64 4.57 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 14 L 8.74 4.36 0.00 1.58 1.76 0.97 0.81 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 15 H 7.98 4.85 0.00 3.26 3.17 0.00 5.81 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 T 8.39 5.01 4.19 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 1.24 0.00 0.00 17 G 8.63 4.09 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 18 A 8.47 4.16 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 19 I 7.06 4.41 1.88 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 1.30 0.68 0.97 0.00 0.00 20 F 6.43 3.74 0.00 2.93 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 21 A 8.71 5.29 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 22 L 9.63 5.10 0.00 1.81 1.65 1.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 23 R 9.14 5.18 0.00 1.90 1.71 0.00 3.10 0.00 0.00 3.40 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.57 0.00 24 R 9.33 5.03 0.00 1.85 1.74 0.00 3.10 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 25 D 9.17 5.85 0.00 2.59 2.52 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 26 Q 8.52 4.95 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.28 0.00 27 V 8.68 4.47 2.20 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 1.16 0.00 0.00 0.96 0.00 0.00 28 R 8.89 3.78 0.00 2.22 1.87 0.00 3.01 0.00 0.00 2.76 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.03 0.00 *34 I 7.21 4.62 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.87 0.93 0.00 0.00 35 V 7.87 4.62 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 0.77 0.00 0.00 1.01 0.00 0.00 36 T 8.46 4.94 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 37 R 9.13 4.52 0.00 1.65 1.79 0.00 3.26 0.00 0.00 3.17 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 38 E 8.88 4.89 0.00 1.86 1.90 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 2.27 2.30 0.00 39 V 9.09 4.56 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 40 V 8.70 4.54 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 0.44 0.00 0.00 1.01 0.00 0.00 41 E 9.25 4.85 0.00 2.14 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 2.49 2.13 0.00 42 H 9.56 4.85 0.00 2.98 3.09 0.00 5.76 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 F 8.47 4.49 0.00 3.11 3.07 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 44 G 9.69 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.76 5.29 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.00 5.04 2.35 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 0.97 0.00 0.00 1.11 0.00 0.00 47 A 9.11 5.38 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 I 8.63 4.99 1.94 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.96 0.78 0.00 0.00 49 V 9.10 4.10 2.06 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 0.93 0.00 0.00 0.94 0.00 0.00 50 A 8.23 4.47 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 51 M 8.39 5.07 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0.00 0.00 0.00 0.00 0.00 68 G 8.07 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 69 R 7.04 4.68 0.00 1.89 2.06 0.00 2.98 0.00 0.00 3.36 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 70 R 8.34 4.46 0.00 0.70 0.66 0.00 2.97 0.00 0.00 2.80 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.58 0.00 71 L 8.50 4.89 0.00 1.42 1.49 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 72 W 8.81 5.08 0.00 3.18 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 73 E 9.40 4.86 0.00 1.87 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 2.24 2.44 0.00 74 L 8.37 4.70 0.00 1.54 1.76 0.95 0.99 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 75 P 0.00 4.50 0.00 2.11 2.01 0.00 3.85 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 2.07 2.08 0.00 76 A 8.53 5.16 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0.00 0.00 0.00 0.00 126 L 9.12 5.06 0.00 1.69 1.53 0.92 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 127 A 8.27 4.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 T 8.12 4.73 4.20 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 1.21 0.00 0.00 129 G 8.15 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 0.00 130 L 7.53 4.74 0.00 1.59 1.70 1.16 0.85 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 0.00 131 R 9.01 4.59 0.00 1.89 1.75 0.00 3.15 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 132 E 9.00 4.76 0.00 1.93 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 0.00 2.39 2.37 0.00 133 V 8.61 4.38 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 0.78 0.00 0.00 0.98 0.00 0.00 134 G 8.52 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 0.00 135 R 8.39 3.73 0.00 1.92 2.21 0.00 3.34 0.00 0.00 3.30 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.66 0.00 *146 T 7.87 4.42 4.32 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 1.26 0.00 0.00 147 M 8.53 5.39 0.00 2.05 2.24 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.65 0.00 148 G 9.79 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 0.00 149 W 8.58 5.32 0.00 3.10 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 0.00 150 Y 9.23 4.78 0.00 2.79 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 P 0.00 5.06 0.00 2.21 1.99 0.00 3.95 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.21 0.00 152 I 8.71 3.70 1.92 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 1.50 0.91 0.98 0.00 0.00 153 A 8.03 3.93 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 0.00 154 E 8.15 3.82 0.00 2.11 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 2.43 2.50 0.00 155 A 8.13 3.83 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 0.00 156 A 8.09 3.83 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 0.00 157 R 7.95 3.90 0.00 1.97 1.95 0.00 3.10 0.00 0.00 3.14 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.91 0.00 158 R 8.34 4.08 0.00 1.86 1.83 0.00 3.11 0.00 0.00 2.79 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.86 0.00 159 V 7.52 3.68 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 0.99 0.00 0.00 0.90 0.00 0.00 160 L 7.60 4.25 0.00 1.65 1.67 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 161 R 7.30 4.50 0.00 1.96 1.99 0.00 3.69 0.00 0.00 3.21 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 162 G 7.90 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 163 E 8.28 4.20 0.00 2.01 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 0.00 2.35 2.27 0.00 164 I 7.55 4.57 1.81 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 1.35 0.48 0.89 0.00 0.00 165 V 8.29 4.20 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 0.69 0.00 0.00 0.80 0.00 0.00 166 N 8.24 4.21 0.00 2.76 2.75 0.00 0.00 6.96 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 0.00 167 S 8.89 4.13 0.00 4.08 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 0.00 168 I 7.88 3.68 2.07 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 1.58 0.91 0.91 0.00 0.00 169 A 8.25 3.97 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 0.00 170 I 8.10 3.56 1.99 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.73 0.89 0.00 0.00 171 A 8.02 4.06 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 0.00 172 G 8.10 3.46 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 0.00 0.00 0.00 173 V 8.13 3.57 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 0.96 0.00 0.00 0.88 0.00 0.00 174 L 8.15 4.08 0.00 1.76 1.69 0.89 0.71 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 0.00 175 A 7.96 3.99 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.92 3.69 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 1.02 0.00 0.00 0.94 0.00 0.00 177 H 8.34 4.44 0.00 3.39 3.54 0.00 5.82 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 0.00 178 A 7.81 4.00 1.47 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 0.00 179 V 7.95 3.95 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 1.21 0.00 0.00 0.98 0.00 0.00 180 T 8.48 3.99 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 181 T 7.48 4.37 4.22 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 1.09 0.00 0.00 182 G 8.05 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 0.00 183 F 7.90 4.08 0.00 3.07 3.30 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 0.00 184 A 8.11 4.74 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 0.00 185 Q 8.13 4.61 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.91 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 186 P 0.00 4.72 0.00 2.21 2.03 0.00 3.64 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 187 R 8.56 4.79 0.00 1.88 1.75 0.00 3.12 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 188 P 0.00 4.70 0.00 2.22 2.00 0.00 3.61 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 2.13 2.14 0.00 189 L 8.68 4.16 0.00 1.65 1.74 0.83 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 190 D 8.02 4.73 0.00 2.80 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 0.00 191 T 7.58 3.92 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 1.22 0.00 0.00 192 E 8.82 4.10 0.00 2.14 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 2.32 2.36 0.00 193 W 8.56 4.78 0.00 3.38 3.03 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 0.00 194 I 8.37 3.67 1.95 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 1.62 0.72 0.93 0.00 0.00 195 D 8.00 4.66 0.00 2.84 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 0.00 196 R 6.70 2.51 0.00 0.67 1.23 0.00 3.03 0.00 0.00 2.99 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.50 0.00 197 P 0.00 4.45 0.00 2.31 1.99 0.00 3.38 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.21 0.00 198 T 8.17 4.59 4.22 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 1.19 0.00 0.00 199 A 8.28 3.95 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 F 8.19 4.22 0.00 2.97 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 0.00 201 A 8.11 4.09 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 0.00 202 A 7.81 4.10 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 R 7.46 3.81 0.00 1.60 1.78 0.00 3.11 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00 204 R 7.20 3.66 0.00 1.91 1.92 0.00 3.14 0.00 0.00 3.20 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 205 A 7.36 4.26 1.07 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 0.00 0.00 206 E 7.78 4.80 0.00 2.03 1.90 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 2.14 2.25 0.00 207 R 8.19 4.12 0.00 1.72 1.75 0.00 3.25 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 * Residues marked with a * may have inaccurate shift predictions.