NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.6933 8.1933 116.7640 58.4823 65.2123 172.1335 3 R 4.5741 9.2927 122.8984 54.9799 31.8266 173.8910 4 I 4.8708 8.9998 124.9000 59.3763 40.7749 173.8344 5 L 4.8920 8.6575 129.2029 53.4827 43.9692 174.7845 6 A 4.9164 9.3786 129.8192 50.3765 21.0463 175.3577 7 V 4.2933 8.7388 123.8689 62.2546 33.2552 174.3362 8 H 5.2960 8.7755 125.6018 53.7935 29.9062 175.5054 9 A 4.4878 8.7264 124.6716 51.8641 20.4036 176.8016 10 S 4.1297 7.8037 111.2317 57.0632 63.0942 173.1344 11 P 4.6420 0.0000 0.0000 64.0432 31.4575 176.8740 12 R 4.4785 7.7815 117.5157 55.2566 32.9463 176.5985 13 G 3.7548 8.7239 109.8971 46.0310 0.0000 176.0090 14 E 3.9646 9.5291 121.4042 59.4451 30.0376 178.3604 15 R 4.0767 7.8060 115.3901 57.6072 30.8784 177.0639 16 S 4.2754 7.8606 114.5061 58.0578 63.4541 174.5796 17 Q 4.0290 8.6444 128.6598 59.0096 28.7685 178.6927 18 S 4.1005 7.9239 114.9456 61.1922 63.2392 176.3509 19 R 3.7701 8.1520 122.4807 59.1217 29.8739 178.4403 20 R 3.8772 7.8122 118.1269 59.5190 30.1167 178.4443 21 L 4.0257 8.1660 118.6357 57.8088 41.5538 179.4165 22 A 4.0809 8.0448 120.6823 55.2231 18.2807 179.5707 23 E 4.0081 8.4554 117.1896 59.1385 29.5060 179.6378 24 V 3.5948 7.8606 118.5978 65.9270 31.6100 177.7540 25 F 4.1213 8.2164 120.2343 61.4787 39.3009 177.0509 26 L 3.9200 8.3803 118.4054 57.7521 41.3982 179.4630 27 A 4.0000 8.2782 120.6074 55.0105 18.2048 179.5876 28 A 3.9373 7.9560 119.3886 55.2519 18.5619 179.2571 29 Y 3.7143 8.1011 118.6779 60.6234 38.2496 178.1612 30 R 3.9491 8.0126 119.7735 59.3229 29.9349 178.3945 31 E 3.9145 7.7828 117.0797 59.2886 29.5745 178.8716 32 A 4.1208 7.4607 118.8743 53.6297 19.8492 177.6896 33 H 4.6817 7.5315 114.0594 53.1586 29.7747 172.1979 34 P 4.3952 0.0000 0.0000 63.9124 31.6788 177.2853 35 Q 4.4188 7.8585 113.9093 55.5422 29.0570 175.4571 36 A 4.3041 8.0384 121.1695 52.5204 19.2865 177.4245 37 R 4.6656 8.2097 119.4218 54.3491 33.0270 175.3395 38 V 4.8270 8.4624 122.5944 61.0785 33.8904 174.1474 39 A 4.7578 9.3501 130.2718 50.4189 21.2008 175.4161 40 R 4.8653 8.5703 121.2452 54.3309 32.6150 175.5798 41 R 4.4281 8.9197 124.9066 54.3718 32.4062 174.0515 42 E 4.4572 8.7560 128.5904 55.7413 30.1120 176.1427 43 V 4.3192 8.8966 118.7959 61.2028 33.5348 177.2337 44 G 3.8029 8.2229 109.5432 46.3291 0.0000 175.9543 45 R 4.2785 8.4025 117.1216 56.4080 30.6848 176.9368 46 V 4.5484 7.2735 110.1950 58.3619 34.9936 173.7104 47 P 4.4062 0.0000 0.0000 62.4824 31.8419 175.6599 48 L 4.7439 8.1386 122.5832 52.2498 44.3456 174.5400 49 P 4.2693 0.0000 0.0000 62.5918 31.8712 176.1641 50 A 4.1480 8.2297 124.4635 51.4443 19.1037 177.5564 51 V 3.2095 8.0055 120.0410 63.0324 32.1749 176.1862 52 T 4.6650 8.1067 116.6848 59.6984 72.7636 174.7505 53 E 4.0179 8.6213 119.8366 59.2080 29.5547 178.1401 54 A 4.0530 8.1212 120.5946 55.1878 18.3583 179.2201 55 F 4.0323 8.2435 118.5879 61.4025 39.4871 177.4966 56 V 3.9319 8.1978 117.7522 66.1708 31.1336 177.8619 57 A 4.0536 8.0865 119.1867 55.0616 18.3574 179.1994 58 A 4.0746 8.0728 119.1419 55.1500 18.3322 179.7795 59 A 3.6148 7.9266 119.6747 54.6394 18.5621 178.2424 60 F 4.5578 7.9842 112.3271 57.3276 37.7707 175.3820 61 H 4.0145 7.7811 121.8047 56.2851 29.7905 174.5728 62 P 4.6210 0.0000 0.0000 65.0547 31.9006 176.6853 63 Q 4.5513 7.7903 115.1540 52.5509 29.2798 173.4556 64 P 4.1823 0.0000 0.0000 65.4018 31.9227 178.6245 65 E 3.9823 8.0931 114.1979 58.4316 29.4985 177.2902 66 Q 4.4329 7.9763 117.5756 55.3104 29.2246 175.9151 67 R 3.8762 7.5986 118.5102 56.4092 30.6412 177.5073 68 S 4.4146 8.4374 117.0951 57.8591 65.3697 175.1910 69 L 3.9239 8.5024 121.9287 58.0108 41.2480 179.8214 70 A 4.0053 7.9003 120.1230 55.3750 18.2322 179.3298 71 M 4.1348 7.6237 115.6033 58.8180 32.3958 178.6839 72 Q 4.0870 8.3374 117.9684 58.9388 28.8202 178.8530 73 A 4.0488 8.0922 121.7989 55.2116 18.1837 179.4046 74 D 4.4913 8.0140 116.5111 56.5233 41.1080 177.8421 75 L 4.6092 7.5751 117.3909 54.2721 42.1302 178.0654 76 A 3.9675 7.7367 122.5715 55.1365 18.3801 179.5818 77 L 3.9370 8.0057 118.3642 58.4198 42.0909 178.8734 78 S 4.1465 8.1875 112.3492 61.6907 62.3652 175.5959 79 D 4.3970 8.5149 121.8918 57.4897 40.5236 178.7551 80 Q 3.9859 8.2817 119.8999 59.1371 28.5897 178.2211 81 L 4.1328 8.4366 120.4776 57.9348 41.6942 179.6956 82 V 3.7646 8.3710 118.7642 65.9310 31.4572 178.1653 83 G 3.7899 8.4544 105.6475 48.0540 0.0000 175.4877 84 E 4.1009 7.9766 119.5705 59.0666 29.5686 178.9031 85 L 4.1819 7.7367 119.7857 58.1497 41.9562 179.0275 86 F 4.0500 8.3263 116.9689 60.2026 38.8516 176.3736 87 D 4.8747 7.9604 116.4947 53.4131 40.9058 175.9957 88 S 4.8792 7.1873 113.7277 56.7021 66.2753 173.1557 89 D 4.7601 9.1253 120.8817 55.1061 43.3229 176.1798 90 L 5.0581 7.7545 120.4541 53.0020 44.8112 174.6699 91 L 4.9847 8.7677 128.9674 53.5025 44.1030 174.8791 92 V 4.6191 8.7285 127.1830 61.1912 33.8198 174.1230 93 I 4.7972 8.5986 129.4142 59.3957 39.8385 174.5771 94 S 5.2066 8.6094 122.2025 56.9021 65.5238 173.1184 95 T 4.5807 8.6094 116.6473 60.2569 70.9700 171.2141 96 P 4.8423 0.0000 0.0000 62.6322 32.5911 175.1214 97 M 4.4350 8.3146 121.8896 54.7174 33.2720 174.9924 98 Y 4.7254 8.8650 124.4274 57.2326 40.2991 175.7538 99 N 3.8435 9.4302 124.1355 54.3743 36.3284 175.0129 100 F 3.9260 7.6143 112.3048 57.9653 37.6278 175.0165 101 S 4.6701 7.8230 116.3097 57.6863 63.9875 173.0498 102 V 4.5203 8.0014 111.7256 58.7882 33.7092 173.7495 103 P 4.4838 0.0000 0.0000 62.8389 31.8409 177.9713 104 S 4.2152 8.8193 115.9274 61.5131 62.7468 176.9638 105 G 3.7439 8.0378 110.3375 47.0851 0.0000 175.2817 106 L 4.1165 7.7592 122.7637 57.6846 42.1340 178.8362 107 K 4.1312 8.1868 119.0303 59.5821 32.2468 178.4090 108 A 4.0043 8.3727 121.2303 54.7527 18.2119 179.3729 109 W 4.1300 8.4342 126.9032 60.8068 30.8844 178.1033 110 I 3.4289 8.2741 119.7818 64.6877 36.3785 178.2097 111 D 4.4344 8.0122 118.2494 57.2280 40.6166 178.4569 112 Q 4.1560 7.6008 117.8179 57.8668 28.9194 177.4444 113 I 4.2782 6.9892 111.5678 60.3330 38.3727 176.0187 114 V 4.0005 7.2760 120.5368 62.0189 30.6947 175.1081 115 R 4.5534 9.1603 127.0888 53.6213 32.8909 175.2680 116 L 2.7906 8.1147 124.9716 56.3103 42.2116 177.3707 117 G 3.8414 8.4955 114.2774 45.5153 0.0000 173.2679 118 V 4.1826 7.7169 116.3049 64.2312 33.3746 176.2025 119 T 4.7674 7.7543 107.5140 61.6846 70.7547 172.9719 120 F 5.3327 7.6561 116.3272 55.8614 41.7418 172.2524 121 D 5.0968 9.4295 121.1616 53.2091 45.3542 174.3745 *122 F 5.2739 8.5771 120.2735 55.8548 40.8448 174.4248 123 V 3.7487 9.0953 125.5052 64.7177 32.3928 176.9633 *130 Q 4.0962 7.7032 119.1092 55.6672 29.7846 175.2526 131 Y 5.3057 8.5849 121.6932 55.8542 40.0802 175.1495 132 R 4.6281 8.8464 122.5582 53.8616 33.5272 172.7866 133 P 4.6004 0.0000 0.0000 62.7998 31.8143 176.1380 134 L 4.7007 8.7188 121.2925 54.5495 43.3048 176.6065 135 L 4.4221 7.8670 120.3657 53.8673 43.1063 176.3416 136 R 4.4200 8.2379 120.3599 56.0469 34.1563 175.4401 137 G 3.9083 8.9027 107.6676 45.6383 0.0000 173.3244 138 K 4.8438 7.6111 117.6234 54.8005 34.3149 175.7455 139 R 4.9740 8.6540 120.3273 54.4644 34.5094 174.3965 140 A 5.0832 9.1367 121.5751 50.1923 23.0822 174.7934 141 L 4.8902 8.7843 123.1711 53.2679 44.8888 175.0423 142 I 4.6981 8.8803 127.7137 59.6037 39.5353 174.6965 143 V 4.6633 9.0443 127.6174 61.3540 33.7068 174.1583 144 T 5.6612 8.7236 122.1179 59.2161 71.0786 172.2496 145 S 5.3006 8.5563 121.3669 56.6657 65.7793 172.7168 146 R 4.8696 9.1664 124.3079 54.3330 34.1535 176.5804 147 G 3.5020 8.9806 109.6479 49.0519 0.0000 173.2184 148 G 4.8324 7.9149 107.9147 45.0498 0.0000 172.5495 149 H 5.2827 8.7495 115.7340 55.1901 32.5278 173.3780 150 G 3.7636 9.2192 108.3476 46.3898 0.0000 174.8694 151 F 4.5525 8.6241 117.1874 57.2597 39.6861 176.3846 152 G 4.0184 7.6662 110.5933 43.1331 0.0000 170.8915 153 P 4.3085 0.0000 0.0000 64.3725 31.2868 177.2405 154 G 3.9289 9.1682 111.7784 45.2925 0.0000 173.6438 155 G 3.8255 8.1515 111.7008 45.1741 0.0000 175.8835 156 E 4.0840 8.6628 117.1619 57.7635 30.0670 178.0395 157 N 4.9147 8.1491 113.9456 53.5374 39.5204 176.1454 158 Q 4.1228 8.0244 123.0841 59.2465 29.0842 178.2449 159 A 4.2797 7.8626 118.1186 53.7889 18.7659 177.6295 160 M 4.1400 7.9593 114.6169 56.1332 32.4758 176.1298 161 N 4.6829 7.9398 117.4706 53.7177 38.1186 173.6556 162 H 4.9354 9.0750 123.1251 55.4176 29.7512 175.4326 163 A 4.2861 8.4976 124.5172 54.0358 18.5747 180.2309 164 D 4.4202 8.5989 117.0383 54.9422 40.0862 177.0838 165 P 4.2337 0.0000 0.0000 65.0338 31.3358 178.3446 166 W 4.1766 8.2681 126.8485 60.2575 30.7168 177.7586 167 L 3.1381 8.0091 119.0040 57.7190 41.0592 179.6038 168 R 3.8540 8.0501 117.9504 59.6095 29.9755 179.3315 169 T 3.7881 7.3614 114.9411 66.4955 68.6280 176.7667 170 A 3.7713 7.4245 122.6224 55.0574 18.3070 179.7129 171 L 4.0462 8.2684 118.0140 57.8040 41.7696 180.0077 172 G 3.5936 8.3929 106.2012 48.5511 0.0000 175.4270 173 F 4.1742 8.0940 122.4182 60.5151 39.6797 176.2902 174 I 4.2794 7.2262 109.5004 60.3703 37.7083 176.6686 175 G 3.9845 7.4021 107.2132 46.2794 0.0000 174.5188 176 I 4.0610 8.0486 122.0562 60.4818 36.1149 175.7193 177 D 4.4964 8.3954 125.5765 55.5057 41.9726 176.9522 178 E 4.3767 7.8404 119.1331 55.1681 29.6055 175.0712 179 V 4.8763 8.0618 123.1122 61.1098 34.6950 174.3413 180 T 4.6510 8.9416 124.4419 61.6710 71.4266 173.1271 181 V 4.7345 8.3775 125.3896 61.0316 33.9294 174.5948 182 V 4.4656 8.7487 127.5876 60.9849 33.9754 173.8334 183 A 5.3630 8.7447 128.8756 50.0432 21.8365 174.6842 184 A 4.6355 9.0771 124.5792 50.4636 20.9570 176.1320 185 E 4.8121 8.4774 122.1913 54.9443 33.0577 175.7619 186 G 3.7117 8.6002 106.3309 46.8929 0.0000 176.1758 187 E 3.9090 8.3277 125.5068 59.2277 29.8033 178.2305 188 E 4.2622 7.9883 113.3569 57.0996 30.0613 178.7676 189 S 4.5261 7.3642 107.8968 60.5155 65.3364 175.2145 *197 S 4.5105 7.8545 115.1258 57.5495 64.0538 175.6340 198 C 4.2076 7.9132 117.3605 62.4813 27.7948 175.4238 199 D 4.2962 8.0113 119.3911 57.1874 40.9215 177.6675 200 E 3.8910 8.1650 119.0812 59.2860 29.7430 178.4054 201 A 3.9906 8.1210 120.7872 55.0786 18.3695 178.9823 202 E 3.8602 8.5513 118.1383 59.8259 29.7589 178.9632 203 Q 4.0018 8.3543 118.1007 59.1331 28.7446 179.2622 204 R 3.9269 8.4272 120.0236 59.3607 30.0883 178.5833 205 L 4.1251 8.3894 119.2902 57.7625 41.4880 179.4506 206 L 4.0128 8.3077 118.8862 57.6963 41.3598 179.3443 207 A 4.0183 7.7634 119.3442 55.3107 18.3590 179.1840 208 L 4.1685 8.2060 117.2350 58.1892 41.6008 179.7726 209 A 4.1239 8.6908 123.0980 55.5939 17.9705 179.6179 210 R 4.4125 7.5319 116.7691 58.6353 29.4593 180.5544 211 S 4.7586 7.8540 109.4814 59.4057 66.4556 174.1303 212 A 4.3948 7.7797 129.4722 52.6139 18.6983 176.9845 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 S 8.19 4.69 0.00 3.99 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 3 R 9.29 4.57 0.00 1.78 1.86 0.00 3.21 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 4 I 9.00 4.87 1.82 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.76 0.86 0.00 0.00 5 L 8.66 4.89 0.00 1.80 1.53 0.99 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 6 A 9.38 4.92 1.11 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 0.00 0.00 0.00 0.00 0.00 7 V 8.74 4.29 1.50 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 0.23 0.00 0.00 -0.03 0.00 0.00 8 H 8.78 5.30 0.00 3.24 3.09 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.73 4.49 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 10 S 7.80 4.13 0.00 3.77 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 11 P 0.00 4.64 0.00 2.14 2.14 0.00 3.82 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.14 0.00 12 R 7.78 4.48 0.00 1.82 1.85 0.00 3.16 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 13 G 8.72 3.75 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 0.00 0.00 0.00 14 E 9.53 3.96 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 15 R 7.81 4.08 0.00 1.80 1.98 0.00 3.37 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 16 S 7.86 4.28 0.00 3.96 3.85 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 17 Q 8.64 4.03 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 18 S 7.92 4.10 0.00 4.15 4.07 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 19 R 8.15 3.77 0.00 1.79 1.89 0.00 3.16 0.00 0.00 2.96 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.24 0.00 20 R 7.81 3.88 0.00 2.02 2.06 0.00 3.16 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 21 L 8.17 4.03 0.00 1.73 1.72 0.92 0.92 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 22 A 8.04 4.08 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 23 E 8.46 4.01 0.00 2.18 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.44 0.00 24 V 7.86 3.59 2.33 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 1.05 0.00 0.00 1.01 0.00 0.00 25 F 8.22 4.12 0.00 3.23 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 26 L 8.38 3.92 0.00 1.80 1.74 0.98 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.28 4.00 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 28 A 7.96 3.94 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 29 Y 8.10 3.71 0.00 2.30 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 30 R 8.01 3.95 0.00 2.11 2.07 0.00 3.21 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 31 E 7.78 3.91 0.00 2.29 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 2.34 2.20 0.00 32 A 7.46 4.12 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 33 H 7.53 4.68 0.00 2.89 3.02 0.00 5.63 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.40 0.00 2.01 2.09 0.00 3.65 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.11 0.00 35 Q 7.86 4.42 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.97 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 36 A 8.04 4.30 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 37 R 8.21 4.67 0.00 1.85 1.84 0.00 3.25 0.00 0.00 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4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 55 F 8.24 4.03 0.00 3.25 3.33 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 56 V 8.20 3.93 2.33 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 1.00 0.00 0.00 1.18 0.00 0.00 57 A 8.09 4.05 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 58 A 8.07 4.07 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 59 A 7.93 3.61 0.69 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 0.00 0.00 60 F 7.98 4.56 0.00 3.23 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 61 H 7.78 4.01 0.00 3.27 3.15 0.00 5.59 0.00 0.00 0.00 0.00 6.71 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 4.62 0.00 2.11 2.13 0.00 3.53 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.80 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 113 I 6.99 4.28 1.52 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.17 0.17 0.00 0.00 114 V 7.28 4.00 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 0.84 0.00 0.00 0.94 0.00 0.00 115 R 9.16 4.55 0.00 1.81 1.68 0.00 3.27 0.00 0.00 3.09 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 116 L 8.11 2.79 0.00 1.07 1.04 0.71 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 117 G 8.50 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 0.00 118 V 7.72 4.18 2.17 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 0.96 0.00 0.00 0.89 0.00 0.00 119 T 7.75 4.77 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 0.00 120 F 7.66 5.33 0.00 2.95 2.89 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 0.00 121 D 9.43 5.10 0.00 2.67 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *122 F 8.58 5.27 0.00 2.06 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 0.00 0.00 0.00 123 V 9.10 3.75 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 0.87 0.00 0.00 0.92 0.00 0.00 *130 Q 7.70 4.10 0.00 1.81 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.69 0.00 0.00 0.00 0.00 0.00 2.26 1.97 0.00 131 Y 8.58 5.31 0.00 3.01 2.78 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 0.00 132 R 8.85 4.63 0.00 1.86 1.74 0.00 3.09 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 133 P 0.00 4.60 0.00 1.92 1.86 0.00 3.64 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.00 0.00 134 L 8.72 4.70 0.00 1.67 1.76 0.93 0.86 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 0.00 135 L 7.87 4.42 0.00 1.69 1.39 0.67 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 136 R 8.24 4.42 0.00 1.74 1.76 0.00 3.25 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 137 G 8.90 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 0.00 138 K 7.61 4.84 0.00 1.59 1.68 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.59 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.28 7.81 139 R 8.65 4.97 0.00 1.71 1.75 0.00 3.07 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 140 A 9.14 5.08 1.11 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 0.00 0.00 0.00 0.00 0.00 141 L 8.78 4.89 0.00 1.45 1.16 0.76 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 142 I 8.88 4.70 1.81 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.44 0.86 0.00 0.00 143 V 9.04 4.66 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 0.99 0.00 0.00 0.78 0.00 0.00 144 T 8.72 5.66 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 1.20 0.00 0.00 145 S 8.56 5.30 0.00 3.88 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 R 9.17 4.87 0.00 1.73 1.62 0.00 3.46 0.00 0.00 2.97 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.55 0.00 147 G 8.98 3.50 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 0.00 0.00 0.00 148 G 7.91 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 0.00 149 H 8.75 5.28 0.00 3.08 3.16 0.00 5.73 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 G 9.22 3.76 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 0.00 151 F 8.62 4.55 0.00 3.24 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 0.00 152 G 7.67 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 0.00 0.00 0.00 153 P 0.00 4.31 0.00 2.06 2.05 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 154 G 9.17 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 0.00 0.00 0.00 155 G 8.15 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 0.00 0.00 0.00 156 E 8.66 4.08 0.00 2.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.91 0.00 157 N 8.15 4.91 0.00 1.92 2.29 0.00 0.00 6.44 8.71 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 Q 8.02 4.12 0.00 2.28 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.86 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 159 A 7.86 4.28 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 0.00 160 M 7.96 4.14 0.00 1.99 2.56 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.32 0.00 161 N 7.94 4.68 0.00 3.08 2.98 0.00 0.00 6.99 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 0.00 162 H 9.07 4.94 0.00 3.40 3.29 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 A 8.50 4.29 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 D 8.60 4.42 0.00 2.88 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 0.00 165 P 0.00 4.23 0.00 2.24 2.18 0.00 3.77 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 2.33 2.18 0.00 166 W 8.27 4.18 0.00 3.46 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 0.00 167 L 8.01 3.14 0.00 1.85 1.55 0.95 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 168 R 8.05 3.85 0.00 1.97 1.94 0.00 3.11 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.80 0.00 169 T 7.36 3.79 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 1.18 0.00 0.00 170 A 7.42 3.77 0.69 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 0.00 0.00 171 L 8.27 4.05 0.00 1.58 1.66 0.86 0.83 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 0.00 172 G 8.39 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.09 4.17 0.00 2.97 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 0.00 174 I 7.23 4.28 1.93 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.52 1.01 0.00 0.00 175 G 7.40 3.98 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 0.00 0.00 0.00 176 I 8.05 4.06 1.82 0.00 0.00 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 1.23 1.07 0.87 0.00 0.00 177 D 8.40 4.50 0.00 2.64 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 0.00 178 E 7.84 4.38 0.00 1.87 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 2.35 2.24 0.00 179 V 8.06 4.88 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 0.76 0.00 0.00 0.88 0.00 0.00 180 T 8.94 4.65 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 1.18 0.00 0.00 181 V 8.38 4.73 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 0.79 0.00 0.00 0.91 0.00 0.00 182 V 8.75 4.47 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 0.90 0.00 0.00 0.89 0.00 0.00 183 A 8.74 5.36 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 0.00 184 A 9.08 4.64 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 0.00 185 E 8.48 4.81 0.00 1.83 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 2.33 2.29 0.00 186 G 8.60 3.71 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 0.00 187 E 8.33 3.91 0.00 2.05 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 2.32 2.40 0.00 188 E 7.99 4.26 0.00 2.06 1.84 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 2.26 2.11 0.00 189 S 7.36 4.53 0.00 4.11 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 *197 S 7.85 4.51 0.00 3.93 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 C 7.91 4.21 0.00 3.02 2.97 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 0.00 199 D 8.01 4.30 0.00 2.80 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 0.00 200 E 8.16 3.89 0.00 2.09 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 0.00 2.39 2.39 0.00 201 A 8.12 3.99 1.36 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 0.00 202 E 8.55 3.86 0.00 2.18 2.17 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 2.33 2.39 0.00 203 Q 8.35 4.00 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.59 0.00 0.00 0.00 0.00 0.00 2.60 2.54 0.00 204 R 8.43 3.93 0.00 1.94 2.19 0.00 3.16 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 1.63 1.74 0.00 205 L 8.39 4.13 0.00 1.96 1.92 1.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 206 L 8.31 4.01 0.00 1.86 1.74 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 207 A 7.76 4.02 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 0.00 208 L 8.21 4.17 0.00 2.10 1.96 0.91 0.78 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 0.00 209 A 8.69 4.12 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 0.00 210 R 7.53 4.41 0.00 1.88 1.82 0.00 3.27 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.50 0.00 211 S 7.85 4.76 0.00 3.93 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 A 7.78 4.39 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.