NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.4771 8.1576 120.0792 56.1236 34.9854 175.1019 3 T 4.9865 8.0805 109.3371 59.3701 71.8408 171.1447 4 I 4.7366 8.8982 125.1515 59.5458 41.7337 175.2960 5 C 5.0981 8.2316 126.9331 58.3484 32.8039 172.4411 6 V 5.5818 8.6304 124.6158 60.1788 33.9919 174.2000 7 F 5.2122 7.7607 120.4432 55.6581 41.6092 173.0407 8 A 4.4968 8.4840 121.2152 50.7095 22.7500 175.8436 9 G 3.5741 8.8177 108.5516 45.8743 0.0000 175.2579 10 S 4.3147 8.7604 119.6723 60.1227 63.2313 173.8168 11 N 5.1706 7.6257 117.5872 50.6740 40.3053 173.2742 12 P 4.2422 0.0000 0.0000 64.4397 31.4854 177.8293 13 G 3.8242 8.1515 105.0125 44.4889 0.0000 172.7637 14 G 4.0534 7.7559 110.3509 45.9915 0.0000 173.7488 15 N 4.2796 7.6880 117.3880 52.6160 39.8571 175.8751 16 E 4.1659 8.7839 125.2481 59.0130 29.7004 178.4832 17 A 3.8678 8.5728 121.4342 55.5942 18.4094 179.0325 18 Y 4.2553 6.8652 115.2219 61.4387 37.8499 179.0948 19 K 4.0811 8.0606 119.7542 58.9891 32.5162 178.8468 20 R 3.8974 8.1624 119.4246 59.4908 30.1355 178.7128 21 K 4.0920 8.8950 118.6524 59.1565 31.8423 178.9798 22 A 4.0482 8.0551 120.5641 55.5066 18.3810 179.5666 23 A 3.9234 7.8167 118.9591 55.0600 18.1585 179.4386 24 E 3.8768 8.0349 117.5616 59.5745 29.5846 178.9239 25 L 4.0519 7.9683 118.8564 57.9710 41.9969 178.8139 26 G 3.6268 7.4839 105.4608 47.7390 0.0000 175.4164 27 V 3.8229 7.7407 114.9730 63.9058 31.5992 178.5168 28 Y 4.2026 7.6205 114.8752 58.5880 37.9946 177.3061 *30 A 4.3071 7.6866 120.8165 51.7704 20.5538 179.4906 31 E 4.1442 8.4116 115.5165 58.9318 29.7305 178.4516 32 Q 4.0212 8.0177 116.2427 55.0649 29.1081 175.3750 33 G 3.6945 8.1798 106.1018 47.0424 0.0000 174.2626 34 I 4.6277 7.5999 118.7460 59.0875 39.8292 176.9903 35 G 3.9376 9.4917 115.6456 45.5927 0.0000 172.0749 36 L 5.1404 9.2979 124.2154 53.3869 45.1555 176.0042 37 V 5.0487 8.2446 124.1512 62.1348 34.5626 172.9801 38 Y 5.2068 9.2197 126.7290 55.5746 41.8355 175.9622 39 G 3.9361 8.9288 107.8214 44.8393 0.0000 171.4855 40 G 3.0429 6.5863 113.8750 44.8324 0.0000 173.2372 41 S 4.6757 8.3961 118.2714 56.8350 66.1809 174.2925 42 R 4.8091 8.1791 122.9604 55.8942 30.2719 173.9951 43 V 4.3724 7.8878 112.7788 62.6557 35.6466 176.7695 44 G 4.5891 7.3056 108.0445 44.4007 0.0000 176.4377 45 L 4.3580 8.5803 121.3041 54.2635 40.9717 179.3408 *47 G 3.9176 8.2040 109.3616 45.9725 0.0000 176.2984 48 T 3.8930 7.6984 116.5542 66.5836 68.6263 176.9463 49 I 3.6814 7.9381 120.3982 63.6628 37.6976 177.8684 50 A 3.7497 7.6293 120.7415 54.9930 18.4939 178.7492 51 D 4.3643 7.8440 114.7026 56.7662 39.8973 178.1316 52 A 4.2074 7.6652 121.1700 55.0102 18.6311 180.5308 53 I 3.7643 7.2652 114.9342 62.2579 36.9581 177.7094 *55 E 4.3831 8.0917 118.8531 56.0049 31.1175 175.9357 56 N 4.9095 7.2930 115.8392 52.8600 39.3528 174.8108 57 G 3.8831 8.4490 103.3133 46.4650 0.0000 174.8197 58 G 3.9775 7.9111 107.5250 45.6063 0.0000 173.4260 59 T 4.8219 8.3479 114.9007 61.5033 71.9810 173.4015 60 A 5.2210 8.8771 127.5980 50.3787 22.1192 174.5805 61 I 4.7918 9.1610 124.2179 60.1214 39.8273 175.3230 62 G 4.1889 8.6707 112.8949 44.2618 0.0000 171.9578 63 V 5.1269 8.2507 123.4248 59.4531 34.1856 172.6909 *65 P 4.3469 0.0000 0.0000 62.2719 32.6431 177.7306 66 S 4.9588 8.1899 117.7342 60.1319 64.2682 175.4646 67 G 3.8369 7.3228 105.9631 45.7322 0.0000 173.9067 68 L 4.4793 7.6802 119.4774 54.2961 42.3360 177.0539 69 F 4.7813 8.8287 120.2350 56.1212 40.7304 176.5335 70 S 4.2957 8.8471 119.3275 62.0770 62.6846 177.5938 71 G 4.1726 8.0443 106.5455 45.7266 0.0000 173.8978 72 E 4.7275 8.5949 115.5196 56.0098 32.2789 176.2153 73 V 4.2166 7.7046 118.7390 64.0460 33.7417 176.8825 74 V 3.4963 7.8414 111.6056 64.8428 31.4235 176.2356 75 H 4.7048 7.6574 121.5821 55.4157 28.4142 174.2466 76 Q 4.5542 8.5370 121.1913 57.0121 35.1878 174.7117 77 N 4.2107 8.2291 114.5935 53.5805 35.1470 172.5095 78 L 5.0063 7.5739 117.6139 52.7520 45.8264 177.1000 79 T 4.1303 8.8771 120.5016 66.4823 69.0571 174.2424 80 E 4.7718 7.9584 119.7074 54.6362 33.7546 173.6859 81 L 5.0647 8.3688 124.8473 53.4333 45.0010 175.2416 82 I 4.5057 8.9849 127.5428 59.6428 39.7772 174.5693 83 E 4.6717 8.6986 126.1533 55.2504 32.0530 175.4229 84 V 4.7708 8.0600 114.3041 60.0369 36.9758 173.8574 85 N 4.9970 9.2070 120.1806 53.3732 40.4525 174.8275 86 G 3.9193 8.2003 111.7268 45.3759 0.0000 173.4223 *88 H 4.6818 8.8634 121.4653 55.9120 31.4468 174.7640 89 E 3.9604 8.1649 118.2833 59.3107 28.9367 179.2868 90 R 3.8253 7.7810 117.3098 59.3580 30.4188 178.1315 91 K 4.0348 7.9281 116.0371 59.5632 32.4338 178.5811 92 A 4.1019 8.0726 121.1007 54.9411 18.1660 179.4265 93 K 3.7989 7.8440 113.8677 57.9669 31.6300 178.1944 *95 S 4.6769 7.9349 113.1559 58.1427 64.1222 174.7332 96 E 4.0687 8.0308 120.4870 59.1285 29.7148 177.5500 97 L 4.0332 8.2914 117.8008 57.6693 41.8494 178.3260 98 A 4.1024 7.6578 119.2307 52.2534 18.8235 176.5329 99 D 4.8257 8.2813 119.2203 54.4859 42.9601 176.0139 100 G 4.2656 7.3539 104.4654 45.3180 0.0000 171.4964 101 F 5.4850 9.3683 117.4863 55.8657 43.7040 174.7189 102 I 4.7296 8.6925 121.6614 60.0953 41.7387 174.3604 103 S 4.4848 8.7163 121.1701 54.6068 66.1118 170.3746 *105 P 3.4426 0.0000 0.0000 62.0043 32.4590 176.6280 106 G 4.0184 7.0066 109.8510 44.6644 0.0000 173.2206 107 G 4.0045 7.5521 106.2300 43.7668 0.0000 174.0014 108 F 4.5857 8.4059 118.2606 61.0658 39.0641 177.8789 109 G 3.7102 8.3142 104.3894 48.2673 0.0000 175.6889 110 T 4.0597 7.9098 118.2755 66.4247 68.5373 176.1641 111 Y 4.2003 7.9139 118.5978 61.1396 37.8769 178.0857 112 E 4.2500 8.7940 120.5510 59.7660 29.6627 178.6832 113 E 3.7639 8.2451 118.9682 58.8639 29.6876 178.5249 114 L 4.1524 8.1869 120.7999 58.1796 42.1044 179.0396 115 F 4.4330 8.5818 118.2146 60.4571 38.5921 176.9979 116 E 4.0402 8.5284 119.2464 59.7222 29.1435 179.2977 117 V 3.5344 7.5097 116.6095 65.7440 31.5405 177.7312 118 L 4.1147 7.5992 117.7738 58.0226 41.5481 178.4791 119 C 3.9015 8.0365 115.5868 61.5590 28.5758 175.2909 120 W 4.6092 7.4817 127.7767 55.2951 28.0776 175.3820 121 A 4.5254 8.2564 123.2009 53.6387 20.8438 177.3937 122 Q 4.1157 7.9609 114.3844 58.2141 29.5297 176.2087 123 I 3.8021 7.6665 119.2469 62.7511 38.0496 175.2492 124 G 3.9867 9.6956 111.7926 44.4497 0.0000 173.2530 125 I 4.6090 7.8923 117.9793 60.4999 40.4210 176.1287 126 H 4.2927 8.6817 116.5655 59.9562 28.8145 176.3044 127 Q 3.4579 8.1925 114.3080 56.7665 26.1779 174.4422 128 K 4.3521 7.9658 115.2980 55.8043 33.2573 176.9771 129 P 4.6554 0.0000 0.0000 62.9782 33.2714 175.7506 130 I 5.0147 8.6287 121.6923 60.1847 40.7988 174.6142 131 G 4.3581 10.3158 115.3106 44.5756 0.0000 171.8208 132 L 4.7127 8.3799 122.6417 52.5214 43.5830 175.2507 133 Y 4.7448 8.8605 126.8486 58.0698 36.7200 173.8701 134 N 4.8444 9.5594 122.0947 52.5164 38.4268 172.8212 135 V 3.9503 8.1264 124.8508 61.8661 32.4103 175.5712 136 N 3.9123 9.1552 125.3417 54.6433 35.4255 174.1248 137 G 4.0513 8.1715 102.2679 46.8309 0.0000 176.1347 138 Y 3.8852 7.7919 120.4221 59.9801 39.0571 176.1191 139 F 4.9374 8.8328 116.5075 57.5004 39.1943 176.6782 140 E 4.1668 7.8893 121.4166 59.2659 29.2754 177.0702 141 P 4.4343 0.0000 0.0000 62.7984 28.8836 176.1387 *144 K 4.0364 7.9080 125.0428 56.0981 33.9421 178.0211 *146 V 4.0989 7.7187 116.3474 62.4531 33.5619 177.0493 147 K 3.9205 8.1724 118.4593 60.0315 31.9312 178.4259 148 Y 4.2523 8.3015 119.2766 60.4135 38.7154 177.5866 149 S 4.2864 8.0267 115.5674 60.9118 62.9829 176.3450 150 I 3.9210 7.8525 122.9565 63.9550 36.7723 177.8409 151 Q 3.8544 7.6245 119.4671 59.2829 28.8534 177.1550 152 E 3.8558 7.6180 113.4796 56.2255 29.6286 176.4383 153 G 3.5807 7.7949 107.0844 47.0892 0.0000 174.5244 154 F 4.9307 8.0439 116.6641 57.0925 40.7066 176.4386 155 S 4.6128 7.5413 113.4102 56.3861 65.7005 173.5990 156 N 4.2849 8.3975 120.8233 53.8335 39.5207 175.5505 157 E 4.1241 8.6676 124.8036 58.9243 29.7404 179.1030 158 S 4.2001 7.9933 113.9659 61.4535 63.0960 175.8955 159 H 4.2928 7.8881 118.5553 58.4386 28.3631 177.2148 160 L 4.0111 7.9159 122.7254 57.8356 41.7136 178.5943 161 K 4.1398 7.6913 115.9737 58.5656 32.5547 178.0292 162 L 4.3267 7.8436 120.7423 55.6711 42.2162 176.1687 163 I 4.5900 6.8305 117.6233 60.7785 39.2093 174.9555 164 H 5.1485 8.9289 123.1911 54.4142 33.5476 172.2646 165 S 5.1552 8.3295 113.8924 56.9952 65.8165 172.5820 166 S 4.7584 8.0104 119.2822 58.5956 66.3254 176.5096 167 S 4.4250 8.9269 113.9993 57.4040 64.1797 173.9471 168 R 4.3894 8.0255 121.8534 54.3190 30.5178 174.8600 169 P 4.2712 0.0000 0.0000 65.9285 31.5229 178.1828 170 D 3.4837 7.3394 118.1742 55.3700 38.9439 178.1283 171 E 3.9664 8.2773 121.1918 58.9997 29.4685 177.9938 172 L 3.9440 7.8430 118.6805 58.5205 42.2951 178.5810 173 I 3.8228 7.5333 118.9736 64.1289 37.2620 178.0712 174 E 4.1008 7.6787 119.2258 59.1439 29.5262 181.2638 175 Q 4.2929 7.8663 118.1943 55.5599 28.8487 177.6508 *177 Q 4.2457 8.1013 119.3346 55.5238 30.8680 175.4496 178 N 4.2273 7.4480 115.6277 53.6059 39.5871 174.2044 179 Y 4.1734 7.9294 117.5007 58.6790 38.1777 170.6478 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 K 8.16 4.48 0.00 1.82 1.89 0.00 1.56 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.43 7.81 3 T 8.08 4.99 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 1.18 0.00 0.00 4 I 8.90 4.74 1.79 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 1.05 0.86 0.87 0.00 0.00 5 C 8.23 5.10 0.00 2.76 2.31 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 6 V 8.63 5.58 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 0.53 0.00 0.00 0.80 0.00 0.00 7 F 7.76 5.21 0.00 3.13 3.21 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 8 A 8.48 4.50 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 9 G 8.82 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.76 4.31 0.00 3.92 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 N 7.63 5.17 0.00 2.68 2.73 0.00 0.00 6.98 8.02 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 12 P 0.00 4.24 0.00 2.19 2.19 0.00 3.76 0.00 0.00 3.67 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 13 G 8.15 3.82 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 0.00 0.00 0.00 14 G 7.76 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 N 7.69 4.28 0.00 2.58 2.22 0.00 0.00 6.62 7.65 0.00 0.00 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 E 8.78 4.17 0.00 2.00 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 2.35 2.29 0.00 17 A 8.57 3.87 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 6.87 4.26 0.00 3.14 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 19 K 8.06 4.08 0.00 1.86 1.90 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.51 7.81 20 R 8.16 3.90 0.00 2.20 2.01 0.00 3.13 0.00 0.00 3.56 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 21 K 8.90 4.09 0.00 1.93 1.95 0.00 1.76 0.00 0.00 1.59 0.00 0.00 2.76 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.55 1.50 7.81 22 A 8.06 4.05 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 A 7.82 3.92 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 24 E 8.03 3.88 0.00 2.30 2.15 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 2.35 2.35 0.00 25 L 7.97 4.05 0.00 1.17 1.49 0.79 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 26 G 7.48 3.63 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 0.00 0.00 0.00 27 V 7.74 3.82 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 0.79 0.00 0.00 1.07 0.00 0.00 28 Y 7.62 4.20 0.00 3.00 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 *30 A 7.69 4.31 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 31 E 8.41 4.14 0.00 1.83 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 2.31 2.48 0.00 32 Q 8.02 4.02 0.00 1.62 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.57 0.00 0.00 0.00 0.00 0.00 1.26 1.16 0.00 33 G 8.18 3.69 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 0.00 34 I 7.60 4.63 1.79 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 1.22 0.63 0.86 0.00 0.00 35 G 9.49 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 9.30 5.14 0.00 1.53 1.56 0.74 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 37 V 8.24 5.05 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 0.93 0.00 0.00 0.92 0.00 0.00 38 Y 9.22 5.21 0.00 3.09 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.93 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 G 6.59 3.04 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 41 S 8.40 4.68 0.00 3.86 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 42 R 8.18 4.81 0.00 1.82 1.81 0.00 3.42 0.00 0.00 3.39 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 43 V 7.89 4.37 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 0.81 0.00 0.00 0.96 0.00 0.00 44 G 7.31 4.59 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 45 L 8.58 4.36 0.00 1.72 1.67 1.02 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 *47 G 8.20 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 7.70 3.89 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 1.28 0.00 0.00 49 I 7.94 3.68 1.77 0.00 0.00 0.66 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 1.22 0.82 0.00 0.00 50 A 7.63 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 D 7.84 4.36 0.00 3.02 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 52 A 7.67 4.21 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 53 I 7.27 3.76 1.79 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.90 0.84 0.00 0.00 *55 E 8.09 4.38 0.00 2.13 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 2.21 2.40 0.00 56 N 7.29 4.91 0.00 2.80 2.75 0.00 0.00 6.90 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.45 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 G 7.91 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 59 T 8.35 4.82 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 1.21 0.00 0.00 60 A 8.88 5.22 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 61 I 9.16 4.79 1.91 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 1.18 0.91 0.92 0.00 0.00 62 G 8.67 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 72 E 8.59 4.73 0.00 2.06 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 2.24 2.30 0.00 73 V 7.70 4.22 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 1.01 0.00 0.00 74 V 7.84 3.50 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 0.71 0.00 0.00 0.72 0.00 0.00 75 H 7.66 4.70 0.00 3.18 3.28 0.00 5.69 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 8.54 4.55 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.64 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 77 N 8.23 4.21 0.00 2.91 2.88 0.00 0.00 6.66 7.85 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 78 L 7.57 5.01 0.00 1.59 1.74 0.94 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 79 T 8.88 4.13 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 1.21 0.00 0.00 80 E 7.96 4.77 0.00 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0.00 0.00 0.00 0.00 133 Y 8.86 4.74 0.00 2.86 3.06 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 0.00 0.00 0.00 134 N 9.56 4.84 0.00 2.94 2.96 0.00 0.00 6.97 7.75 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 0.00 135 V 8.13 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 0.93 0.00 0.00 0.66 0.00 0.00 136 N 9.16 3.91 0.00 2.97 2.91 0.00 0.00 7.19 7.65 0.00 0.00 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 G 8.17 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 Y 7.79 3.89 0.00 3.07 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 F 8.83 4.94 0.00 3.25 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 0.00 140 E 7.89 4.17 0.00 1.99 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 2.43 2.44 0.00 141 P 0.00 4.43 0.00 1.93 1.95 0.00 3.74 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 1.88 2.00 0.00 *144 K 7.91 4.04 0.00 1.94 2.01 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.81 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.45 7.81 *146 V 7.72 4.10 2.15 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 1.00 0.00 0.00 1.02 0.00 0.00 147 K 8.17 3.92 0.00 1.91 1.93 0.00 1.76 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.57 7.81 148 Y 8.30 4.25 0.00 3.12 3.11 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 0.00 149 S 8.03 4.29 0.00 4.13 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 0.00 150 I 7.85 3.92 1.99 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 1.41 0.97 0.88 0.00 0.00 151 Q 7.62 3.85 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 7.00 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 152 E 7.62 3.86 0.00 1.81 1.60 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 1.71 1.90 0.00 153 G 7.79 3.58 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 0.00 154 F 8.04 4.93 0.00 3.19 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 S 7.54 4.61 0.00 3.92 3.80 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 0.00 156 N 8.40 4.28 0.00 2.59 2.28 0.00 0.00 6.70 7.65 0.00 0.00 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 E 8.67 4.12 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 2.35 2.28 0.00 158 S 7.99 4.20 0.00 4.09 4.10 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 0.00 0.00 0.00 159 H 7.89 4.29 0.00 3.38 3.39 0.00 5.64 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 L 7.92 4.01 0.00 1.79 1.74 0.91 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 161 K 7.69 4.14 0.00 1.76 1.82 0.00 1.57 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.79 1.45 7.81 162 L 7.84 4.33 0.00 1.95 1.78 1.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 163 I 6.83 4.59 1.86 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 1.21 0.93 0.99 0.00 0.00 164 H 8.93 5.15 0.00 3.13 3.16 0.00 5.61 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 S 8.33 5.16 0.00 3.86 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.01 4.76 0.00 3.95 3.69 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 0.00 167 S 8.93 4.43 0.00 3.83 4.11 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 0.00 168 R 8.03 4.39 0.00 1.81 1.83 0.00 3.29 0.00 0.00 3.12 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 169 P 0.00 4.27 0.00 1.88 2.08 0.00 3.57 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 170 D 7.34 3.48 0.00 2.66 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 E 8.28 3.97 0.00 1.98 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.29 0.00 172 L 7.84 3.94 0.00 1.75 1.71 1.11 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 173 I 7.53 3.82 2.06 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.82 0.98 0.00 0.00 174 E 7.68 4.10 0.00 2.41 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 2.32 2.48 0.00 175 Q 7.87 4.29 0.00 1.96 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.32 0.00 0.00 0.00 0.00 0.00 2.36 2.63 0.00 *177 Q 8.10 4.25 0.00 2.04 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.04 0.00 0.00 0.00 0.00 0.00 2.26 2.65 0.00 178 N 7.45 4.23 0.00 2.48 2.26 0.00 0.00 7.25 8.81 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 0.00 179 Y 7.93 4.17 0.00 3.23 2.86 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 * Residues marked with a * may have inaccurate shift predictions.