NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.7005 8.2076 120.2007 53.2867 41.6129 175.7258 3 P 4.0146 0.0000 0.0000 65.2166 31.3626 176.4711 4 F 4.2847 8.7709 117.3139 56.9590 39.9868 177.9922 5 A 4.1374 7.9936 125.3034 54.1265 18.0979 178.9506 6 S 4.7319 7.8700 107.2010 58.0389 63.9991 174.4735 7 L 4.5268 8.0597 121.0633 55.3231 43.0936 178.3827 8 A 3.9724 8.3866 121.4361 55.4624 18.3314 178.7112 9 E 4.0325 8.3587 112.9532 59.4388 29.7204 177.9960 10 A 4.4488 7.9044 118.8681 52.2468 19.6217 177.7576 11 Y 4.1083 8.1624 117.8398 61.0028 38.9473 177.8355 12 E 4.0095 8.2681 116.0602 56.5453 29.9594 177.9366 13 A 3.9956 7.9308 122.7449 55.3489 18.4512 179.2203 14 W 4.3899 8.2002 125.7259 61.1686 30.3966 177.2145 15 Y 4.4413 7.2232 114.7573 60.1626 37.4078 178.1620 16 G 3.8368 8.2954 106.5812 45.6782 0.0000 174.4355 17 T 4.2462 7.4650 111.5852 60.3661 70.1271 173.7699 18 P 4.3885 0.0000 0.0000 65.9004 31.3132 178.7689 19 L 3.2618 7.8973 118.3744 57.7900 42.0749 178.6766 20 G 2.0000 6.9461 105.2821 47.1523 0.0000 175.0957 21 A 3.9874 8.3063 124.3965 54.9609 18.2539 179.0399 22 Y 3.8876 7.7952 117.7322 60.9204 38.8122 178.1308 23 V 3.5896 8.3228 119.3466 66.2824 31.6080 177.6772 24 I 3.5652 8.0175 118.0340 64.0628 37.6917 177.8383 25 A 3.9811 7.8131 121.4580 55.0577 18.1853 179.4766 26 E 3.8211 7.9588 117.1695 59.4188 29.4171 179.4743 27 E 4.0097 8.5059 118.9780 59.3655 29.5212 178.8454 28 E 3.9801 8.5601 119.4878 59.3310 29.6857 178.8607 29 R 3.8361 8.1090 118.3588 59.4144 29.9582 178.3522 30 A 3.9476 7.7268 119.2334 54.9209 18.6847 179.0685 31 L 3.9248 8.1871 119.1818 58.3886 41.6727 179.4307 32 K 4.0513 8.3536 118.8396 59.3359 31.7164 179.5079 33 G 3.6489 7.9800 104.9791 46.5790 0.0000 174.4134 34 L 4.5156 7.4768 120.2229 54.0321 43.0415 176.2222 35 L 4.1254 7.0600 118.9993 54.3626 41.8448 175.3719 36 P 4.6816 0.0000 0.0000 60.8083 32.8810 173.8416 37 P 4.4534 0.0000 0.0000 61.7930 31.6941 176.4467 38 G 4.3497 7.8017 111.6996 46.0276 0.0000 171.7938 39 E 4.6984 8.8255 118.7904 56.9564 31.8865 176.6067 40 S 5.4574 8.2364 113.4302 56.3095 66.1037 173.0000 41 L 4.9479 9.0223 124.7854 52.9852 45.5044 174.5534 42 L 4.4921 8.3344 127.3592 52.8727 44.9014 174.3504 43 E 4.7635 8.7192 127.9297 54.3207 31.7083 174.7085 44 V 3.9663 8.3300 128.5914 62.4685 32.2784 175.9995 45 G 3.6244 9.1266 117.9791 46.5946 0.0000 174.1819 46 A 4.9668 7.4818 121.4941 52.2490 20.2543 180.7799 47 G 3.6269 7.8476 104.4734 47.0695 0.0000 174.1832 48 T 4.2555 8.6481 113.3919 60.7857 68.9108 175.1960 49 G 4.7226 8.8850 108.7717 47.4959 0.0000 175.6190 50 Y 3.6701 7.5801 122.0166 60.2316 38.7870 177.8941 51 W 4.7122 7.8963 118.8266 59.2148 29.1805 178.4672 52 L 4.0238 8.0294 118.6262 57.8513 40.9671 179.0811 53 R 4.1906 8.1896 116.5159 57.9253 30.0668 176.8290 54 R 4.5261 7.8294 115.0776 56.0914 30.0585 175.1060 55 L 4.6969 7.4899 118.3591 52.0175 43.3830 175.7835 56 P 4.3345 0.0000 0.0000 65.7261 31.1379 176.4476 57 Y 4.1799 6.5063 115.2261 57.8314 38.1055 174.5993 58 P 4.4063 0.0000 0.0000 65.0801 32.2604 175.9588 59 Q 4.6777 8.6699 122.5264 53.8133 31.5155 174.4856 60 K 5.1680 8.5694 125.4893 55.0032 36.2077 175.1590 61 V 4.5852 9.0417 122.8254 60.9216 34.9809 174.2053 62 G 3.5790 8.4472 114.1694 44.0942 0.0000 171.7590 63 V 4.8738 8.4501 126.2958 61.2520 33.1962 174.4355 64 E 4.6493 8.9705 129.5112 54.2849 31.9838 174.0366 65 P 3.4263 0.0000 0.0000 64.9374 31.6709 176.7998 66 S 4.1821 8.4390 114.8342 57.5659 62.6114 173.7197 67 E 3.9418 8.7948 127.7105 59.3626 29.6364 178.7822 68 A 3.9636 7.4929 117.7137 53.6386 18.4091 178.4214 *70 L 3.8329 7.9833 120.0505 55.4331 42.5547 178.5439 71 A 3.7979 8.0319 120.5446 55.2631 18.0643 179.8906 72 V 3.5803 7.2056 116.0155 65.7926 31.5817 178.3153 73 G 2.8008 7.4696 105.1420 47.5885 0.0000 175.5827 74 R 2.5100 6.3733 117.7336 57.6685 29.1048 178.5187 75 R 3.9829 6.4993 116.8006 59.2334 30.4623 178.1911 76 R 4.1810 8.0116 115.2843 57.2233 31.5444 176.9093 77 A 4.8283 7.9459 121.2868 50.0509 19.3426 174.1300 78 P 4.6000 0.0000 0.0000 64.9792 32.2903 179.1026 79 E 4.3277 8.3255 115.0113 56.8216 29.1343 175.7088 80 A 4.9324 7.7051 119.8919 50.2092 22.5737 176.4096 81 T 4.3206 8.2398 116.2569 62.7323 69.7959 174.1746 82 W 4.9414 8.9634 127.3412 55.3875 30.5807 175.8511 83 V 4.2976 8.9646 126.0323 61.1319 33.3749 174.7066 84 R 4.7479 8.9234 128.5350 54.9822 29.6618 174.4235 85 A 4.4931 7.8023 126.2770 51.0478 22.7343 174.6441 86 W 4.6208 8.8951 117.9051 54.8680 31.1125 178.2089 87 G 3.7972 8.6487 109.2347 48.3134 0.0000 175.7271 88 E 4.1419 8.3565 118.1895 58.6356 29.7156 177.2089 89 A 4.7369 7.6862 121.0271 50.5736 19.7391 173.7704 90 L 4.2828 9.4676 121.2559 53.8184 42.7386 176.8202 91 P 4.5047 0.0000 0.0000 62.4916 30.8897 176.0004 92 F 5.0201 7.4700 115.0179 55.7862 43.2009 173.5703 93 P 4.5617 0.0000 0.0000 61.9406 32.0683 176.1391 94 G 3.7173 8.4103 107.9957 45.8363 0.0000 173.2680 95 E 4.0347 8.6746 116.6558 56.3941 26.9621 175.2775 96 S 4.5344 8.5399 109.0788 57.4386 65.1152 175.7659 97 F 4.8167 7.8056 118.7641 56.0657 42.7468 175.3615 98 D 4.4867 8.6576 121.5395 56.3332 42.2918 176.8660 99 V 4.8859 7.9520 117.5442 60.9501 35.3476 174.4293 100 V 4.5536 8.4001 126.5429 60.8431 34.5252 173.6660 101 L 5.1030 9.1831 129.9032 53.2506 45.0566 174.9767 102 L 4.8618 9.0801 125.5079 53.0983 44.7356 175.1804 103 F 5.0145 8.9605 127.1512 56.2816 41.0694 175.1399 104 T 4.3854 8.5838 119.3644 62.3755 68.5390 173.2123 105 T 4.6370 7.8896 117.8804 66.2565 70.8076 177.0857 106 L 4.2020 8.1063 121.0714 57.7854 41.9076 178.6539 107 E 3.9348 8.1747 114.7250 57.5371 29.6503 177.5956 108 F 4.8325 8.2588 116.7944 57.3279 41.0886 175.7063 109 V 4.0580 7.2020 113.3125 61.1537 32.1039 176.4603 110 E 4.0301 9.0463 120.6045 59.0137 29.6239 178.1004 111 D 4.7308 7.9345 123.2107 51.7692 43.0380 175.8613 112 V 3.5937 8.2275 127.2364 66.1332 31.6512 177.4578 113 E 3.9508 8.1507 117.7739 59.2711 29.2772 179.1930 114 R 3.8782 8.6488 119.1871 59.2204 30.1039 178.5090 115 V 3.8814 7.7701 119.4359 65.6192 31.5058 178.1173 116 L 3.9510 7.9446 118.4033 57.5420 41.2897 179.5833 117 L 3.9874 7.8834 119.2141 57.7341 41.5683 179.2862 118 E 3.9661 8.5921 118.7192 59.3428 29.1988 179.1779 119 A 4.0027 7.9721 119.7234 55.4367 18.7303 179.6699 120 R 4.0323 8.0628 116.5231 59.0930 30.0695 179.2585 121 R 3.9275 8.1557 118.7919 59.4980 30.1128 178.3120 122 V 4.1297 7.8384 109.7346 60.9064 31.7361 174.9721 123 L 4.8411 7.2926 122.7802 54.0643 43.4560 176.6480 124 R 4.3162 9.3284 125.9052 55.0785 31.8022 174.0204 125 P 4.4322 0.0000 0.0000 64.2875 31.4896 176.8537 126 G 3.8953 9.2187 112.7948 44.7698 0.0000 172.9860 127 G 4.0102 8.1378 107.4708 45.9507 0.0000 172.6039 128 A 5.0964 8.8152 120.7629 49.9214 22.5408 174.7793 129 L 4.9818 9.1965 125.0044 53.4297 44.3930 175.1907 130 V 4.9359 8.8191 126.4119 61.2342 34.0887 174.1378 131 V 4.9558 9.1415 128.1823 61.0697 34.5441 174.3974 132 G 4.2234 9.4336 114.0780 44.4960 0.0000 171.9939 133 V 4.8227 8.5624 116.8870 59.3914 36.6947 175.2988 134 L 5.4310 8.6937 122.4512 52.9343 41.5073 175.9200 135 E 4.0596 8.9092 124.0996 56.6198 29.7829 177.8672 136 A 3.9954 8.8914 130.3292 54.7584 18.6185 177.8866 137 L 4.3559 7.7503 113.5673 54.9093 42.4698 176.9397 138 S 4.5834 7.7210 114.6722 56.5237 64.4903 173.4803 139 P 4.1134 0.0000 0.0000 65.9344 30.5319 178.6896 140 W 3.4982 8.0664 118.3689 59.2316 28.7773 178.2336 141 A 3.3705 7.9705 120.7009 54.7626 17.6713 179.5211 142 A 3.7107 7.4616 118.8564 55.0440 18.3820 179.5095 143 L 3.5939 7.1252 118.3431 58.3982 42.0546 178.8547 144 Y 3.8955 7.2708 116.7795 60.8129 37.6578 178.3383 145 R 4.1493 8.0683 119.5165 59.1463 30.0328 179.1432 146 R 3.8808 7.7615 118.1710 59.3546 29.9104 178.4562 147 L 4.1249 8.0448 118.0663 57.8726 42.0173 179.3820 148 G 4.0257 8.9139 105.9452 47.9550 0.0000 175.5170 149 E 4.0938 8.1042 119.9348 59.1185 29.5636 179.0363 150 K 4.3853 7.9661 115.0835 56.6290 31.9328 176.9469 151 G 4.3216 8.2709 113.8045 46.8348 0.0000 174.8024 152 V 3.2817 6.9179 118.7689 61.0027 31.8248 174.9254 153 L 4.2057 8.2954 127.8644 53.7664 42.6507 175.4314 154 P 4.2504 0.0000 0.0000 62.7196 31.5197 177.5821 155 W 4.6266 7.3968 119.7005 60.3041 28.6871 177.7383 156 A 4.3189 7.7876 119.5101 54.4174 17.8393 178.0126 157 Q 4.3786 8.1159 113.8623 55.6720 29.4681 175.7000 158 A 4.0918 7.6454 121.8912 51.2272 19.5145 177.0228 159 R 4.6013 7.5003 116.6657 54.2486 32.2506 175.2290 160 F 5.0312 8.5878 118.0774 55.7590 42.2155 174.4852 161 L 5.1622 8.7671 121.3347 53.0167 45.2363 175.5934 162 A 5.0388 9.1495 125.1619 50.0558 21.6068 178.2224 163 R 3.5473 9.4121 118.0248 59.2867 28.9639 179.2461 164 E 3.9637 7.9849 119.0056 59.2625 29.6135 178.6730 165 D 4.3648 8.1030 119.0017 57.4335 40.9221 178.8728 166 L 3.9356 7.8635 118.9628 57.6498 41.6339 179.3353 167 K 4.5965 8.6640 120.7659 58.9474 31.8910 178.7639 168 A 4.0002 7.8882 120.4421 54.6069 18.3121 179.1335 169 L 4.1303 7.4885 116.4785 56.6059 42.1422 177.8031 170 L 4.1572 8.2325 115.7928 53.6899 42.6818 177.0100 171 G 3.9721 8.2251 106.7229 43.4909 0.0000 170.5925 172 P 4.7045 0.0000 0.0000 61.8444 31.3412 174.6817 173 P 3.2991 0.0000 0.0000 62.2692 31.6854 175.5485 174 E 4.2247 8.7963 120.6416 58.4413 30.3420 175.8256 175 A 4.6555 7.2352 118.6906 50.8553 22.9483 174.7035 176 E 4.8840 8.4446 117.2765 54.9006 34.1049 175.1017 177 G 4.2577 8.9492 107.4847 45.1489 0.0000 171.4192 178 E 5.3843 8.5646 118.2480 55.1009 33.9235 174.5458 179 A 4.4372 8.8009 122.9740 52.0491 23.3728 173.4928 180 V 3.9422 8.6688 122.0352 63.5057 28.9059 172.0303 181 F 4.5570 9.9075 121.5617 57.0920 39.8646 176.3999 182 L 4.5908 8.2040 120.5876 55.2540 41.4669 176.1241 183 A 4.3998 8.2089 122.0844 50.0331 20.3397 176.5152 184 P 2.9971 0.0000 0.0000 64.7754 31.1731 177.3310 185 E 4.5560 7.4972 115.6343 55.7113 29.9737 176.0109 186 A 4.2686 7.9239 121.4050 52.5612 19.0807 177.6008 187 H 5.2219 8.3923 116.3362 52.9608 31.8293 172.6551 188 P 3.7063 0.0000 0.0000 61.2972 31.7714 174.8488 189 P 4.0204 0.0000 0.0000 63.1418 32.1369 177.0824 190 Y 4.1486 8.0002 120.8402 60.8102 37.7586 178.1234 191 E 4.1354 7.9827 121.3144 58.6020 29.6871 178.6308 192 E 3.9449 8.1100 118.0110 59.3713 29.6128 178.6932 193 A 4.0317 7.7131 120.9528 55.3445 18.3907 179.2060 194 D 4.4492 8.4294 116.3806 57.7458 41.4383 178.5188 195 L 3.9932 8.1596 119.1828 57.4976 41.5296 179.5045 196 A 4.0379 8.4044 121.3548 55.2371 18.4562 179.7045 197 G 4.3715 8.3431 105.7967 47.3953 0.0000 175.7543 198 R 3.7427 7.9786 120.7206 59.3135 29.8971 178.7270 199 R 3.9035 7.7480 116.7615 59.1893 30.1047 178.0159 200 A 4.1692 8.2684 120.2888 53.4686 18.4034 178.3076 201 G 4.0041 7.9581 104.8021 44.9496 0.0000 173.7356 202 N 4.4541 7.7038 116.7973 53.5752 39.1819 174.3500 203 R 4.5872 8.2434 120.8337 53.9676 31.6213 174.5418 204 P 3.8505 0.0000 0.0000 62.3989 32.0586 176.2816 205 A 4.1247 8.6426 122.6659 54.0619 19.6636 177.1701 206 L 5.0577 7.9883 117.9512 53.3919 45.0574 174.8298 207 Y 4.9905 8.8118 127.4933 55.7355 41.4135 174.1103 208 L 5.0629 8.1391 126.1625 52.7529 45.3495 175.7877 209 G 3.8856 8.8556 109.3114 44.1247 0.0000 171.2118 210 R 5.1461 7.9074 121.9140 54.0469 32.9372 174.4346 211 W 5.0240 9.5547 125.8829 54.9375 33.1892 176.3915 212 R 4.6891 8.3733 118.5511 55.5386 30.6401 175.4566 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 D 8.21 4.70 0.00 2.84 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 P 0.00 4.01 0.00 1.73 2.06 0.00 3.94 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 2.12 0.00 4 F 8.77 4.28 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 5 A 7.99 4.14 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 6 S 7.87 4.73 0.00 3.92 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 7 L 8.06 4.53 0.00 1.81 1.79 0.64 0.50 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 8 A 8.39 3.97 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 9 E 8.36 4.03 0.00 1.98 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 2.30 2.25 0.00 10 A 7.90 4.45 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 11 Y 8.16 4.11 0.00 3.16 3.15 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 12 E 8.27 4.01 0.00 2.21 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.72 0.00 13 A 7.93 4.00 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 14 W 8.20 4.39 0.00 3.26 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 15 Y 7.22 4.44 0.00 3.07 2.82 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 0.00 0.00 0.00 16 G 8.30 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 17 T 7.47 4.25 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 1.28 0.00 0.00 18 P 0.00 4.39 0.00 2.41 2.35 0.00 3.66 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 2.20 2.22 0.00 19 L 7.90 3.26 0.00 1.62 1.69 0.34 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 20 G 6.95 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 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.31 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 22 Y 7.80 3.89 0.00 3.15 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 23 V 8.32 3.59 2.19 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 1.09 0.00 0.00 1.15 0.00 0.00 24 I 8.02 3.57 1.43 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.57 0.78 0.00 0.00 25 A 7.81 3.98 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 26 E 7.96 3.82 0.00 2.01 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 1.53 2.00 0.00 27 E 8.51 4.01 0.00 2.42 2.34 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 2.41 2.68 0.00 28 E 8.56 3.98 0.00 2.48 2.21 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 2.41 2.66 0.00 29 R 8.11 3.84 0.00 2.02 2.04 0.00 3.15 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 30 A 7.73 3.95 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 31 L 8.19 3.92 0.00 1.50 1.55 0.77 -1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.35 4.05 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8.26 4.83 0.00 3.19 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 0.00 109 V 7.20 4.06 2.39 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 0.77 0.00 0.00 1.04 0.00 0.00 110 E 9.05 4.03 0.00 2.15 1.99 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 2.40 2.34 0.00 111 D 7.93 4.73 0.00 2.65 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 0.00 112 V 8.23 3.59 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 0.98 0.00 0.00 0.91 0.00 0.00 113 E 8.15 3.95 0.00 2.15 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 2.36 2.34 0.00 114 R 8.65 3.88 0.00 2.00 1.92 0.00 3.24 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 115 V 7.77 3.88 2.24 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 1.21 0.00 0.00 1.08 0.00 0.00 116 L 7.94 3.95 0.00 1.82 1.59 0.76 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 125 P 0.00 4.43 0.00 2.08 2.08 0.00 3.75 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 1.98 1.97 0.00 126 G 9.22 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 0.00 0.00 0.00 127 G 8.14 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 0.00 128 A 8.82 5.10 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 0.00 129 L 9.20 4.98 0.00 1.80 1.71 0.98 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 130 V 8.82 4.94 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 0.93 0.00 0.00 131 V 9.14 4.96 2.41 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 0.99 0.00 0.00 0.98 0.00 0.00 132 G 9.43 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 0.00 0.00 0.00 0.00 133 V 8.56 4.82 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 0.85 0.00 0.00 1.10 0.00 0.00 134 L 8.69 5.43 0.00 1.89 1.87 1.22 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.91 4.06 0.00 2.14 2.10 0.00 0.00 0.00 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 2.41 0.00 136 A 8.89 4.00 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 0.00 137 L 7.75 4.36 0.00 1.63 1.70 0.91 0.85 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 0.00 138 S 7.72 4.58 0.00 4.29 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 0.00 139 P 0.00 4.11 0.00 1.97 2.23 0.00 3.77 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 140 W 8.07 3.50 0.00 3.26 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 A 7.97 3.37 1.03 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 0.00 0.00 142 A 7.46 3.71 1.18 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 0.00 0.00 143 L 7.13 3.59 0.00 1.27 1.07 0.67 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 144 Y 7.27 3.90 0.00 2.53 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 0.00 0.00 0.00 145 R 8.07 4.15 0.00 1.77 2.03 0.00 2.93 0.00 0.00 3.01 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.53 0.00 146 R 7.76 3.88 0.00 1.87 1.98 0.00 3.03 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 147 L 8.04 4.12 0.00 1.89 1.94 1.04 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 148 G 8.91 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 E 8.10 4.09 0.00 2.23 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 0.00 2.38 2.49 0.00 150 K 7.97 4.39 0.00 1.87 1.85 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.63 7.81 151 G 8.27 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 0.00 0.00 0.00 0.00 152 V 6.92 3.28 2.41 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 1.15 0.00 0.00 1.01 0.00 0.00 153 L 8.30 4.21 0.00 1.53 1.43 0.90 1.01 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 0.00 154 P 0.00 4.25 0.00 1.07 0.60 0.00 2.40 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.48 0.00 155 W 7.40 4.63 0.00 3.69 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 0.00 156 A 7.79 4.32 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 0.00 157 Q 8.12 4.38 0.00 2.26 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.45 0.00 158 A 7.65 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 R 7.50 4.60 0.00 1.71 1.76 0.00 3.04 0.00 0.00 3.16 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.37 0.00 160 F 8.59 5.03 0.00 2.97 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 0.00 161 L 8.77 5.16 0.00 1.62 1.55 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 162 A 9.15 5.04 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 0.00 163 R 9.41 3.55 0.00 0.67 0.74 0.00 2.66 0.00 0.00 2.88 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.43 0.00 164 E 7.98 3.96 0.00 2.05 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 2.38 2.44 0.00 165 D 8.10 4.36 0.00 2.83 2.71 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 0.00 166 L 7.86 3.94 0.00 2.07 1.80 1.31 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 167 K 8.66 4.60 0.00 1.97 2.01 0.00 1.75 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.50 7.81 168 A 7.89 4.00 1.38 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 0.00 0.00 0.00 0.00 0.00 169 L 7.49 4.13 0.00 1.63 1.58 0.88 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 170 L 8.23 4.16 0.00 0.27 0.57 -0.65 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 171 G 8.23 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 0.00 172 P 0.00 4.70 0.00 2.24 2.16 0.00 3.90 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 2.07 2.02 0.00 173 P 0.00 3.30 0.00 1.62 0.50 0.00 3.82 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.87 0.00 174 E 8.80 4.22 0.00 1.86 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 0.00 2.21 2.21 0.00 175 A 7.24 4.66 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 0.00 176 E 8.44 4.88 0.00 1.75 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 2.11 2.17 0.00 177 G 8.95 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 0.00 0.00 0.00 0.00 178 E 8.56 5.38 0.00 1.98 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 2.33 2.44 0.00 179 A 8.80 4.44 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 0.00 180 V 8.67 3.94 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 0.94 0.00 0.00 0.87 0.00 0.00 181 F 9.91 4.56 0.00 3.40 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 0.00 182 L 8.20 4.59 0.00 1.91 1.97 1.38 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 183 A 8.21 4.40 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 0.00 184 P 0.00 3.00 0.00 1.36 1.13 0.00 2.95 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.44 0.00 185 E 7.50 4.56 0.00 1.81 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 2.11 2.06 0.00 186 A 7.92 4.27 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 0.00 187 H 8.39 5.22 0.00 3.10 3.13 0.00 5.73 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 P 0.00 3.71 0.00 1.71 0.75 0.00 3.70 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.70 0.00 189 P 0.00 4.02 0.00 2.38 2.15 0.00 3.62 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 190 Y 8.00 4.15 0.00 2.34 1.75 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 0.00 191 E 7.98 4.14 0.00 2.18 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 2.46 2.41 0.00 192 E 8.11 3.94 0.00 2.28 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 2.39 2.44 0.00 193 A 7.71 4.03 1.46 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 0.00 194 D 8.43 4.45 0.00 3.18 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 0.00 195 L 8.16 3.99 0.00 1.90 1.70 0.94 0.73 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 0.00 196 A 8.40 4.04 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 0.00 197 G 8.34 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 R 7.98 3.74 0.00 1.35 1.82 0.00 2.79 0.00 0.00 2.80 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.59 0.00 199 R 7.75 3.90 0.00 1.83 2.09 0.00 3.36 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 200 A 8.27 4.17 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 0.00 201 G 7.96 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.70 4.45 0.00 3.09 2.95 0.00 0.00 6.79 7.67 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 0.00 203 R 8.24 4.59 0.00 1.77 1.82 0.00 3.32 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 204 P 0.00 3.85 0.00 2.03 0.95 0.00 3.81 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00 205 A 8.64 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 L 7.99 5.06 0.00 1.83 1.42 0.55 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 207 Y 8.81 4.99 0.00 3.29 2.82 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 0.00 0.00 0.00 208 L 8.14 5.06 0.00 1.30 1.27 0.86 0.66 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 0.00 209 G 8.86 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 210 R 7.91 5.15 0.00 1.72 1.53 0.00 3.02 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.55 0.00 211 W 9.55 5.02 0.00 3.33 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 R 8.37 4.69 0.00 1.78 1.79 0.00 3.59 0.00 0.00 4.01 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 * Residues marked with a * may have inaccurate shift predictions.