NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4572 8.3044 120.3335 54.9641 34.1164 175.3942 2 K 4.0784 7.8219 118.3901 53.2505 33.2474 174.5789 3 F 5.0124 8.1545 120.5035 55.1193 41.9445 173.1533 4 F 4.7914 8.9420 119.9435 55.5319 41.8376 174.8008 5 L 4.8188 8.2454 122.8703 53.7898 42.1903 176.6820 6 K 4.2490 8.5483 120.9629 56.5188 32.6819 177.1617 7 D 4.5651 8.7789 122.6372 56.2164 39.9768 178.2844 8 G 3.9714 7.9297 109.7631 45.5891 0.0000 173.2798 9 E 4.4469 8.2208 119.5191 57.5186 32.2924 177.4989 10 T 3.9509 8.1817 114.8601 66.9571 68.5490 176.7216 11 S 4.0788 7.9795 116.5007 61.4616 63.1010 176.2630 12 R 3.8182 8.0749 120.7548 59.0889 29.4874 177.4793 13 A 4.2092 7.4132 118.5987 52.7390 19.3297 179.0782 14 L 3.8245 7.8382 120.0333 58.3327 42.0694 178.9664 15 S 4.3783 8.0385 112.9975 60.2734 63.3606 175.9940 16 R 3.9061 7.5008 122.4475 58.9075 29.7301 177.9883 17 S 4.3821 7.8321 113.8549 60.4952 63.5739 176.0434 18 E 3.9493 8.3313 122.7848 59.3898 29.4693 179.0641 19 S 4.4412 7.7795 112.0190 59.3504 63.4978 176.0505 20 L 3.8889 7.3632 124.1177 58.1877 41.9993 178.0507 21 L 3.9218 8.0376 120.3701 58.4947 41.7240 178.7790 22 R 3.8014 7.5024 115.9854 59.8100 30.2621 178.7183 23 R 3.9584 7.8032 117.4481 59.1802 30.0450 178.7198 24 V 3.5604 7.7557 118.3964 65.5824 31.3338 178.0616 25 K 3.3162 7.3953 117.0187 58.7952 31.7940 178.6046 26 E 4.0624 7.4257 118.1470 57.6885 29.7480 177.4563 27 L 4.1325 7.0696 118.5625 54.9550 42.4322 176.1841 28 G 4.0944 8.2398 109.2460 45.1302 0.0000 173.6682 29 T 4.4917 8.2412 109.5216 58.6367 66.5653 174.2876 30 N 5.2701 7.4484 132.7993 54.1486 38.2896 176.0167 31 S 4.2777 7.5486 115.6084 58.6303 63.7007 174.3250 32 Q 4.2559 8.3390 122.4641 55.4984 29.4756 177.2348 33 Q 4.0126 8.7192 119.5452 59.2337 28.3818 179.5336 34 S 4.1081 7.9986 114.0999 62.2493 63.1814 175.2396 35 E 3.9758 8.7187 123.5906 56.7894 29.1587 179.1548 36 I 3.5167 7.2698 118.7116 64.2803 38.0608 178.0397 37 S 4.1440 8.4548 115.9539 61.2162 62.8342 176.1714 38 E 4.3401 8.4022 122.5583 58.3559 29.5629 178.3734 39 C 4.0672 8.0430 119.3882 62.3328 31.4053 175.7103 40 V 3.6759 7.8387 119.8070 66.0115 30.8337 177.3805 41 D 4.6199 7.9685 118.5229 57.6430 40.7573 178.7486 42 E 3.9707 8.3549 119.1813 59.3420 29.6586 178.1989 43 F 4.1033 8.1078 120.2450 61.7083 39.3959 176.6895 44 N 4.3215 9.2339 117.3689 56.6553 38.6528 176.6414 45 E 3.9459 8.1852 119.8677 59.5417 29.5666 179.1188 46 L 3.9359 7.8889 118.6562 57.7916 41.4292 179.3862 47 A 3.7780 7.6299 119.8187 55.5327 18.5012 179.3135 48 S 4.1112 8.0128 113.2900 61.8088 62.9113 176.4612 49 F 3.8813 8.6576 123.1537 61.7261 39.1413 176.7253 50 N 4.3936 8.7161 116.6448 57.4090 38.7485 176.1754 51 H 4.2226 8.3962 119.3686 58.9935 29.8843 177.2159 52 L 3.9712 7.5797 120.5618 57.5036 41.5194 178.5435 53 L 3.7136 7.7233 120.4956 58.3357 41.8686 179.0905 54 V 3.5759 8.0553 118.4171 66.5618 31.4039 178.1954 55 T 3.8526 7.7091 108.7657 64.4287 68.5514 176.7043 56 V 3.2549 8.1907 121.4728 65.8299 31.6145 177.6494 57 E 4.0902 8.2666 118.4041 59.9041 29.1387 178.9412 58 H 4.2585 8.3011 117.0166 59.2104 30.0617 177.0415 59 R 3.9761 8.1910 120.4453 59.5723 30.0246 178.0292 60 E 3.9421 8.7014 118.7671 59.3158 29.2501 179.1161 61 W 4.3960 8.5160 127.3232 61.0721 30.8482 177.7374 62 M 3.5451 7.4878 116.3349 56.6704 32.6852 177.0618 63 E 4.5931 7.5585 120.6690 54.9675 29.7099 174.5724 64 Q 4.5156 7.0726 123.0075 56.0182 29.7449 177.0118 *77 R 4.3748 9.0309 128.9978 57.2870 32.0526 176.6483 78 I 3.8367 7.9130 118.3092 64.4319 37.0914 178.4400 79 G 3.6601 8.1375 105.9681 47.7280 0.0000 175.1662 80 E 4.0213 8.1759 120.3198 59.8499 29.4683 179.3091 81 M 4.1831 7.8252 118.5506 58.2469 32.0114 178.8150 82 L 4.1541 8.1470 119.3658 57.6544 41.9125 179.1259 83 K 3.9274 8.5101 120.0261 59.8082 32.0198 178.5568 84 E 3.9705 7.9317 117.6961 59.5382 29.4698 178.9894 85 I 3.8837 8.0737 119.9702 64.9046 37.2532 177.7840 86 R 3.6713 8.7302 119.0229 59.9007 29.5670 177.7678 87 A 3.9277 7.7958 119.1249 55.5018 18.4496 179.4622 88 F 4.2188 8.2470 115.8549 60.6768 39.1228 177.8987 89 L 3.8532 8.5309 120.4768 57.6514 41.5725 178.4993 90 K 4.0289 8.7250 120.1700 59.8861 31.8594 178.0588 91 V 3.6643 7.3910 115.7851 64.1501 31.6778 176.3177 92 R 4.3060 7.8976 115.4265 56.2172 31.5711 176.0206 93 V 3.6519 6.9121 118.9475 62.0892 31.4441 175.3309 94 V 3.9835 8.0909 120.9447 59.5709 33.7191 175.7515 95 T 4.4917 8.1386 114.2972 59.4121 70.7416 173.2273 96 P 4.5556 0.0000 0.0000 64.0047 31.6180 176.4089 97 M 4.3527 7.9109 116.1698 55.4777 31.1224 176.2524 98 H 4.6871 7.9815 117.9221 55.7101 27.5946 174.6632 99 K 4.7858 8.4485 122.8282 54.1803 35.1967 176.3641 100 E 4.2995 8.7672 120.1656 58.1199 30.1156 176.9742 101 T 4.7189 7.2586 112.3145 60.9129 72.4937 174.5105 102 A 2.5800 7.9832 125.7767 55.2486 18.3119 179.8953 103 S 3.9095 7.8912 110.4412 62.0444 62.4109 176.2522 104 D 4.4027 7.9671 120.6120 57.3638 40.6221 178.5478 105 T 3.9896 8.1199 116.8831 66.5978 68.3822 176.1893 106 L 3.8961 7.8305 121.9001 58.2360 42.1538 178.4008 107 N 4.2507 8.0016 116.0156 56.4914 38.5107 176.7390 108 A 4.0144 8.5088 122.0493 55.7314 18.4374 179.7988 109 F 3.8716 8.4075 115.6887 60.3189 38.8267 177.7864 110 L 3.9807 8.2240 120.2853 58.4078 42.0494 178.9063 111 E 3.9850 8.9294 118.8698 59.3812 29.2809 179.1151 112 E 3.9902 8.4679 119.6152 59.2385 29.6599 178.2286 113 Y 4.0630 7.9555 119.3787 60.7937 38.8149 177.4531 114 C 4.1179 8.5390 118.0002 62.6664 27.9732 176.1528 115 R 3.8165 7.6909 119.2644 59.4772 29.8300 178.4032 116 I 3.7296 7.6167 118.5088 64.4391 37.2567 178.1043 117 T 4.0683 7.8913 108.6090 61.5418 69.0218 175.8448 118 G 3.8461 7.9022 108.9971 45.7046 0.0000 173.8734 119 L 4.1001 7.6685 118.9739 53.8816 42.5130 177.4962 120 A 4.2721 8.2425 122.6267 51.8532 20.3650 179.3118 121 R 3.8996 8.3992 120.0348 59.4295 30.0158 178.9238 122 E 3.8805 8.2349 117.3930 59.7001 29.8693 178.2613 123 D 4.5088 8.0747 117.9277 57.1359 41.1181 178.4179 124 A 4.1957 7.9497 121.0196 55.2116 18.4439 179.6562 125 L 3.9794 8.7285 117.7887 57.7907 41.4034 179.6333 126 R 4.0842 7.6271 116.5484 57.2378 30.7749 177.0329 127 E 4.1163 7.5533 119.0548 55.6532 30.4096 176.5145 128 K 4.4018 9.1167 122.8343 56.0747 33.8415 177.7278 129 M 3.7069 8.5933 124.1744 59.4204 32.0906 178.6983 130 R 3.7710 7.4069 116.5673 59.6963 30.1628 178.4666 131 K 3.7601 7.9956 117.0808 59.7143 32.1542 178.9853 132 V 2.9766 7.4944 118.0191 65.9583 31.2585 178.4760 133 K 4.1405 8.5621 118.6644 60.2551 32.6736 179.5045 134 S 4.4171 8.1898 116.0412 60.2373 62.9451 176.5771 135 V 3.4222 8.5734 123.2152 66.0881 31.3702 178.2047 136 V 3.7918 8.1755 118.0079 65.8863 31.3684 178.0745 137 L 4.2665 8.7442 119.3570 57.8479 41.5146 179.2279 138 F 4.1806 8.7349 117.8315 61.0973 38.9874 176.6817 139 H 4.0634 8.4298 117.4063 60.3166 29.5281 176.8884 140 H 4.2610 8.8038 117.5145 58.6352 28.6416 178.0413 141 S 4.9220 8.7333 118.9683 61.2886 62.5317 176.1460 142 E 3.9369 8.2352 120.6342 59.4237 29.3239 178.2899 143 L 4.1674 7.5898 118.6925 56.9328 41.0449 177.6980 144 L 4.4809 8.2144 116.9902 53.2306 42.1656 176.4669 145 K 3.9910 7.9514 117.0881 56.7253 30.6486 174.7319 146 F 4.8275 7.6036 116.4321 56.2747 42.7767 172.7629 147 E 4.1489 7.9755 128.5442 55.8660 29.8981 175.9217 148 V 4.3285 8.7183 127.0288 61.4932 32.7169 174.9015 149 T 4.6906 8.1416 117.5141 59.7414 71.3589 175.5561 150 E 4.2478 8.7500 120.7619 59.5295 29.5536 178.4022 151 N 5.0273 8.1180 113.2633 52.9662 37.2340 175.0984 152 M 4.4213 8.1063 116.3582 55.6227 31.6700 175.8265 153 F 4.9323 8.0088 117.8207 55.3310 42.4687 176.3913 154 S 4.1964 8.5729 117.0804 60.6588 63.5016 174.0643 155 Y 4.7830 6.9746 116.7556 57.8330 38.1371 177.8436 156 T 3.8950 8.1275 117.5226 67.5186 68.5912 175.3841 157 E 3.9743 8.2053 119.3732 59.1828 29.4885 179.1708 158 L 3.9189 7.9047 119.9397 58.2514 42.1133 178.8754 159 L 3.8076 7.6483 116.5214 56.6011 41.5144 178.6472 160 K 4.2307 7.3172 117.2484 55.9845 32.5413 177.0677 161 L 3.9484 7.3991 120.7597 55.1973 42.3915 177.0128 162 N 4.9245 8.3714 123.7899 51.6980 37.5934 173.7782 163 L 4.7333 7.0898 120.0997 51.4754 46.6603 176.3716 164 S 4.5118 8.4602 116.6977 58.5137 64.7944 175.3841 165 L 3.8475 8.3580 124.1783 58.0484 41.3930 180.0113 166 R 3.8188 7.9974 118.4359 59.4196 30.0540 178.6639 167 V 3.5425 7.5362 117.3265 66.0570 31.5649 177.7022 168 I 3.6327 7.8579 119.9061 64.6707 36.9347 178.5771 169 S 4.1200 8.4965 115.4434 60.9450 62.5285 176.1199 170 S 4.1294 7.9660 116.2973 60.0015 63.7181 175.6942 171 Q 4.3083 8.5219 119.9817 56.5693 29.1788 176.8002 172 I 4.1338 7.6391 119.9774 62.4599 38.4528 176.2556 173 L 4.5433 7.4253 117.8462 60.5970 40.5736 178.7137 174 G 3.6029 7.1822 105.3058 48.0599 0.0000 173.8180 175 M 4.2616 8.5141 120.9269 54.3665 33.4879 176.6959 176 A 4.2165 8.6414 123.0194 52.0488 20.1322 177.7596 177 I 3.7594 7.4534 118.9091 61.2112 36.7561 175.1192 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 1 M 8.30 4.46 0.00 2.03 2.20 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 2 K 7.82 4.08 0.00 1.69 1.63 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.65 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.73 1.07 7.81 3 F 8.15 5.01 0.00 3.11 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 F 8.94 4.79 0.00 2.98 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.25 4.82 0.00 1.86 1.73 1.00 0.33 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 6 K 8.55 4.25 0.00 1.82 1.84 0.00 1.78 0.00 0.00 2.02 0.00 0.00 3.26 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.51 1.58 7.81 7 D 8.78 4.57 0.00 2.82 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 8 G 7.93 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 9 E 8.22 4.45 0.00 2.23 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 0.00 2.60 2.81 0.00 10 T 8.18 3.95 4.33 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 1.28 0.00 0.00 11 S 7.98 4.08 0.00 3.85 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 12 R 8.07 3.82 0.00 2.11 2.08 0.00 3.15 0.00 0.00 3.30 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 13 A 7.41 4.21 0.61 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 0.00 0.00 14 L 7.84 3.82 0.00 1.84 1.77 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.04 4.38 0.00 4.09 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 16 R 7.50 3.91 0.00 2.26 1.87 0.00 3.03 0.00 0.00 3.13 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.59 0.00 17 S 7.83 4.38 0.00 4.05 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 18 E 8.33 3.95 0.00 2.15 2.05 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 2.34 2.34 0.00 19 S 7.78 4.44 0.00 4.02 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 20 L 7.36 3.89 0.00 1.92 1.94 1.03 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.04 3.92 0.00 1.83 1.88 1.10 0.95 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 22 R 7.50 3.80 0.00 2.01 1.97 0.00 3.35 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.80 0.00 23 R 7.80 3.96 0.00 1.89 2.19 0.00 3.08 0.00 0.00 3.09 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 24 V 7.76 3.56 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 0.96 0.00 0.00 0.99 0.00 0.00 25 K 7.40 3.32 0.00 1.70 1.55 0.00 1.58 0.00 0.00 1.53 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.30 0.96 7.81 26 E 7.43 4.06 0.00 2.05 1.96 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 2.43 2.44 0.00 27 L 7.07 4.13 0.00 1.67 1.56 0.86 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.24 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 29 T 8.24 4.49 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 1.18 0.00 0.00 30 N 7.45 5.27 0.00 2.90 2.96 0.00 0.00 6.39 7.64 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 31 S 7.55 4.28 0.00 3.84 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 32 Q 8.34 4.26 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 33 Q 8.72 4.01 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.88 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 34 S 8.00 4.11 0.00 4.01 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 35 E 8.72 3.98 0.00 2.05 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 2.28 2.47 0.00 36 I 7.27 3.52 1.80 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.68 0.76 0.00 0.00 37 S 8.45 4.14 0.00 4.01 4.21 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 38 E 8.40 4.34 0.00 2.23 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 0.00 2.60 2.19 0.00 39 C 8.04 4.07 0.00 3.10 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 40 V 7.84 3.68 2.29 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 1.24 0.00 0.00 0.67 0.00 0.00 41 D 7.97 4.62 0.00 3.01 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 42 E 8.35 3.97 0.00 2.12 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 2.35 2.41 0.00 43 F 8.11 4.10 0.00 3.30 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 N 9.23 4.32 0.00 3.04 2.87 0.00 0.00 7.28 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 45 E 8.19 3.95 0.00 2.23 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 2.35 2.38 0.00 46 L 7.89 3.94 0.00 1.67 1.65 0.95 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 47 A 7.63 3.78 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 48 S 8.01 4.11 0.00 4.08 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 49 F 8.66 3.88 0.00 3.20 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 50 N 8.72 4.39 0.00 3.05 3.00 0.00 0.00 6.92 7.91 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 51 H 8.40 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0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.18 4.02 0.00 2.11 2.05 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 2.42 2.37 0.00 81 M 7.83 4.18 0.00 2.06 2.32 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.62 0.00 82 L 8.15 4.15 0.00 1.88 1.77 0.83 0.45 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 83 K 8.51 3.93 0.00 2.16 1.90 0.00 1.65 0.00 0.00 1.79 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.55 7.81 84 E 7.93 3.97 0.00 2.35 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 2.39 2.41 0.00 85 I 8.07 3.88 2.35 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 1.54 0.89 1.15 0.00 0.00 86 R 8.73 3.67 0.00 2.17 2.05 0.00 3.08 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.71 0.00 87 A 7.80 3.93 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 88 F 8.25 4.22 0.00 3.34 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 89 L 8.53 3.85 0.00 1.86 1.64 0.79 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.73 4.03 0.00 2.18 1.92 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.65 7.81 91 V 7.39 3.66 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 0.86 0.00 0.00 0.91 0.00 0.00 92 R 7.90 4.31 0.00 1.61 1.82 0.00 3.33 0.00 0.00 3.10 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 93 V 6.91 3.65 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 0.66 0.00 0.00 0.19 0.00 0.00 94 V 8.09 3.98 1.96 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 0.63 0.00 0.00 0.86 0.00 0.00 95 T 8.14 4.49 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 1.33 0.00 0.00 96 P 0.00 4.56 0.00 2.16 2.21 0.00 3.28 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 1.99 2.09 0.00 97 M 7.91 4.35 0.00 1.66 1.69 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 2.61 0.00 98 H 7.98 4.69 0.00 3.33 3.40 0.00 5.79 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 K 8.45 4.79 0.00 1.90 1.79 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.22 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.56 7.81 100 E 8.77 4.30 0.00 1.97 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 2.32 2.46 0.00 101 T 7.26 4.72 4.45 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 1.19 0.00 0.00 102 A 7.98 2.58 0.98 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 0.00 103 S 7.89 3.91 0.00 3.83 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 0.00 104 D 7.97 4.40 0.00 2.76 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 113 Y 7.96 4.06 0.00 3.24 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 0.00 114 C 8.54 4.12 0.00 3.23 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 0.00 115 R 7.69 3.82 0.00 2.01 1.95 0.00 3.26 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 116 I 7.62 3.73 1.71 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.82 0.81 0.00 0.00 117 T 7.89 4.07 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 0.30 0.00 0.00 118 G 7.90 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 0.00 0.00 0.00 119 L 7.67 4.10 0.00 1.56 1.64 0.89 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 120 A 8.24 4.27 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 0.00 121 R 8.40 3.90 0.00 1.88 2.01 0.00 3.17 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.71 0.00 122 E 8.23 3.88 0.00 1.94 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.49 0.00 123 D 8.07 4.51 0.00 2.77 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 A 7.95 4.20 1.59 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 0.00 125 L 8.73 3.98 0.00 1.90 1.73 0.95 1.18 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 0.00 126 R 7.63 4.08 0.00 1.99 1.98 0.00 3.24 0.00 0.00 3.32 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 127 E 7.55 4.12 0.00 2.06 1.61 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 2.36 2.47 0.00 128 K 9.12 4.40 0.00 1.65 1.66 0.00 1.67 0.00 0.00 1.53 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.54 7.81 129 M 8.59 3.71 0.00 2.30 1.95 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.65 0.00 130 R 7.41 3.77 0.00 1.85 1.93 0.00 3.16 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.84 0.00 131 K 8.00 3.76 0.00 1.86 1.83 0.00 1.53 0.00 0.00 1.84 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.54 7.81 132 V 7.49 2.98 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 0.88 0.00 0.00 0.22 0.00 0.00 133 K 8.56 4.14 0.00 1.60 1.72 0.00 1.31 0.00 0.00 1.64 0.00 0.00 3.18 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.64 7.81 134 S 8.19 4.42 0.00 3.77 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 0.00 135 V 8.57 3.42 2.53 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 1.04 0.00 0.00 1.10 0.00 0.00 136 V 8.18 3.79 2.48 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 0.79 0.00 0.00 1.15 0.00 0.00 137 L 8.74 4.27 0.00 2.13 2.16 1.27 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.73 4.18 0.00 3.10 3.18 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 0.00 139 H 8.43 4.06 0.00 3.45 3.62 0.00 5.78 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 H 8.80 4.26 0.00 3.35 3.45 0.00 5.68 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 S 8.73 4.92 0.00 4.03 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 0.00 142 E 8.24 3.94 0.00 2.06 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 2.33 2.37 0.00 143 L 7.59 4.17 0.00 1.79 1.86 0.87 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 144 L 8.21 4.48 0.00 1.83 1.74 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 145 K 7.95 3.99 0.00 1.95 1.95 0.00 1.78 0.00 0.00 1.67 0.00 0.00 3.09 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.44 7.81 146 F 7.60 4.83 0.00 2.99 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 0.00 147 E 7.98 4.15 0.00 1.74 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.13 0.00 148 V 8.72 4.33 2.28 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 1.09 0.00 0.00 1.18 0.00 0.00 149 T 8.14 4.69 4.40 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 1.25 0.00 0.00 150 E 8.75 4.25 0.00 2.17 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 2.40 2.44 0.00 151 N 8.12 5.03 0.00 2.86 2.94 0.00 0.00 6.35 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 M 8.11 4.42 0.00 1.85 2.32 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.51 0.00 153 F 8.01 4.93 0.00 3.29 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 0.00 154 S 8.57 4.20 0.00 3.49 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 Y 6.97 4.78 0.00 3.18 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 0.00 156 T 8.13 3.89 4.27 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 1.25 0.00 0.00 157 E 8.21 3.97 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 158 L 7.90 3.92 0.00 1.76 1.98 0.82 0.50 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 0.00 159 L 7.65 3.81 0.00 1.61 1.33 0.44 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 160 K 7.32 4.23 0.00 1.80 1.82 0.00 2.02 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.62 7.81 161 L 7.40 3.95 0.00 1.64 1.54 0.87 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 162 N 8.37 4.92 0.00 2.64 2.71 0.00 0.00 6.89 7.78 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 0.00 163 L 7.09 4.73 0.00 1.63 1.43 0.89 0.77 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 0.00 164 S 8.46 4.51 0.00 4.14 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 0.00 165 L 8.36 3.85 0.00 1.67 1.72 0.83 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 166 R 8.00 3.82 0.00 1.87 1.90 0.00 3.09 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 1.61 1.63 0.00 167 V 7.54 3.54 2.05 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 0.95 0.00 0.00 0.93 0.00 0.00 168 I 7.86 3.63 1.94 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.94 0.84 0.00 0.00 169 S 8.50 4.12 0.00 3.97 4.29 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 0.00 170 S 7.97 4.13 0.00 4.04 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 0.00 171 Q 8.52 4.31 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 172 I 7.64 4.13 2.01 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 1.33 0.49 0.88 0.00 0.00 173 L 7.43 4.54 0.00 1.62 1.60 0.94 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 174 G 7.18 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 M 8.51 4.26 0.00 1.95 2.16 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.45 0.00 176 A 8.64 4.22 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 0.00 177 I 7.45 3.76 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.51 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.