NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3304 8.2893 120.3513 53.6279 34.3889 174.6811 2 T 4.3378 7.6740 116.0975 59.9364 70.7121 174.1571 3 H 4.5729 9.6739 128.3053 59.3696 31.8171 176.8079 4 D 3.8193 8.6168 120.7200 55.6273 42.0897 175.0819 5 N 4.5287 7.5673 118.6729 53.0128 37.7221 175.1846 6 K 4.3270 7.6477 119.0664 56.3190 35.9936 176.7999 7 L 3.4354 8.3379 119.3083 56.6452 39.4460 175.3936 *8 Q 3.5015 7.8065 116.8906 54.9672 25.0600 175.3748 9 V 3.7655 7.6252 113.9581 61.5588 32.5572 177.7644 10 E 4.1422 8.5840 123.0043 56.6638 27.1257 174.4944 11 A 4.4309 8.1844 125.0372 50.6572 19.8715 177.4240 12 I 4.2177 7.9080 116.6393 59.3612 39.9901 176.1084 13 K 2.9399 8.1134 121.8203 58.1493 32.5826 176.5668 14 R 4.9268 8.1119 117.9250 53.3949 33.3420 174.6744 15 G 3.3859 7.3820 111.2697 45.9077 0.0000 170.4042 16 T 4.9434 7.7152 116.1242 61.6662 72.4725 173.4434 17 V 4.5965 8.5557 125.4075 61.2293 34.5339 173.9821 18 I 4.6255 8.7728 129.5843 59.8811 39.1844 174.4902 19 D 5.0389 8.2924 125.2418 52.2121 45.5415 174.0663 20 H 4.2210 8.7385 117.0617 56.9404 28.4169 174.5362 21 I 4.0204 7.6375 118.9125 60.0593 37.4059 175.8033 22 P 4.1004 0.0000 0.0000 63.2936 31.3625 175.5424 23 A 4.1621 7.8699 121.7340 53.8760 18.0256 180.0921 24 Q 3.6445 8.6391 116.2920 57.5518 28.2193 175.7501 25 I 4.1138 8.1006 117.8789 62.7445 36.9745 178.0202 26 G 3.7768 8.2348 107.5636 48.0844 0.0000 175.5092 27 F 4.1640 8.2305 122.8465 60.2906 39.4299 176.9402 28 K 3.7986 7.5769 116.7487 59.6905 32.1286 178.8084 29 L 4.1828 8.3147 119.3885 57.6507 41.5000 179.5898 30 L 3.9396 7.4079 118.0809 57.8943 41.4163 179.2906 31 S 3.9465 7.5557 113.9517 60.8025 62.9116 176.0561 32 L 3.5385 7.5856 123.7495 56.6586 41.4900 178.6790 33 F 4.5108 7.7598 112.8965 56.0977 39.5293 176.0611 34 K 3.8542 7.8869 119.6913 57.5887 29.4917 175.5473 35 L 4.1913 7.9094 119.2323 57.3423 42.3516 179.6202 36 T 4.0090 7.7604 106.3511 62.6013 69.4017 175.3590 37 E 4.3097 7.2253 123.7689 54.2961 27.8851 174.8555 38 T 4.3777 7.2548 113.9529 61.6633 70.4269 172.6046 39 D 4.7390 8.5345 122.9535 54.2331 41.5970 176.9601 40 Q 4.3007 7.3248 118.0520 54.2851 30.1498 175.3344 41 R 3.9165 8.4537 120.2863 57.5081 30.8106 175.1931 42 I 5.2284 8.3820 126.6817 59.6936 40.7237 175.2677 43 T 4.6597 8.6899 114.5881 60.2170 71.7407 172.7118 44 I 4.9607 8.6440 126.3202 59.2738 40.4081 175.1554 45 G 4.1797 8.8187 112.0217 44.4939 0.0000 171.4797 46 L 5.0394 8.4919 124.7364 53.2598 44.9671 176.0697 47 N 4.1723 8.8272 118.0926 54.3435 36.8876 174.8529 48 L 4.3133 8.0944 117.4934 53.9483 43.4286 175.8285 49 P 4.5334 0.0000 0.0000 62.4464 32.0330 176.9648 50 S 4.5519 8.4736 120.2667 55.7041 61.0613 174.2090 51 G 4.0067 8.4834 112.3802 48.4158 0.0000 172.5919 52 E 4.1797 8.0916 116.2543 58.7399 29.8323 177.0549 53 M 4.7579 8.1561 120.3205 54.5046 33.8532 176.2254 54 G 3.7921 8.8171 108.9531 45.7732 0.0000 174.6813 55 R 5.2632 7.7832 116.1483 54.4610 35.7734 174.2282 56 K 4.4802 8.7588 118.9718 56.9780 36.6189 173.0786 57 D 5.3842 8.6804 119.9189 52.7522 45.6176 174.8701 58 L 4.8072 8.0359 117.6176 54.6027 46.2415 173.2411 59 I 4.8980 8.5854 126.8621 59.2857 40.8072 174.2345 60 K 4.7297 9.1313 128.2302 54.7200 34.4523 174.6158 61 I 4.7437 8.6426 128.8784 59.4008 39.9870 174.4042 62 E 4.4288 8.7609 128.7316 55.6039 30.7336 175.5700 63 N 4.0401 8.6501 122.9324 54.5020 36.9111 174.4879 64 T 4.5378 6.8621 111.9800 61.9305 72.4448 173.6578 65 F 5.0905 8.2707 122.5017 54.3035 40.0621 172.4827 66 L 4.3442 8.2140 125.7179 54.3908 42.6414 176.1085 67 S 4.5951 9.5475 121.3539 57.7500 69.1428 176.4476 68 E 3.8914 9.4749 123.6841 57.5786 28.1657 176.7018 69 D 4.4676 9.3710 125.4448 57.6841 40.1621 178.2990 70 Q 3.9761 8.1606 120.0497 58.3906 28.6752 179.4596 71 V 3.5614 7.3886 118.0247 66.1473 31.7110 177.9077 72 D 4.5098 8.0471 118.3976 57.2819 40.2621 178.5663 73 Q 4.0998 7.6981 119.4918 59.0549 28.9830 177.9970 74 L 4.1573 7.7490 118.7152 56.7067 40.2768 178.9222 75 A 3.9702 7.9665 121.3038 54.9578 17.9971 179.2482 76 L 3.9514 7.6144 117.7543 57.2663 42.0725 177.6486 77 Y 4.5290 7.1689 114.7981 58.4749 40.7935 176.0826 78 A 4.8639 8.0835 121.1118 49.8238 18.7283 175.0235 79 P 4.3159 0.0000 0.0000 64.0327 32.6391 177.9491 80 Q 4.4756 7.5798 117.1271 54.4312 27.3209 174.7366 81 A 4.9649 7.5300 120.3243 50.9572 22.9182 176.4074 82 T 4.5593 8.4201 112.4294 60.0317 70.8586 174.1177 83 V 4.3873 8.8526 127.3706 62.1555 33.6718 174.4663 84 N 5.5106 8.5610 123.0571 51.7077 42.9955 174.6197 85 R 5.1064 8.7860 120.4038 54.9713 32.5629 175.5012 86 I 5.0639 8.6044 119.0998 60.3014 40.6780 175.6363 87 D 4.5980 8.8591 126.4939 54.7896 40.7948 176.2135 88 N 4.4308 8.2333 113.7255 53.4110 40.2101 172.8930 89 Y 3.5130 8.5351 118.0262 58.9579 37.1113 170.9961 90 E 4.6809 8.5113 118.2071 54.3943 34.0765 174.3486 91 V 3.7373 8.3927 119.2984 64.0966 31.9399 176.6872 92 V 4.4611 8.7339 127.7105 59.9172 31.3985 174.6041 93 G 3.6973 7.3433 106.0350 44.4750 0.0000 172.2082 94 K 4.8302 8.3666 125.6029 55.2275 34.5756 174.9860 95 S 4.8683 9.1863 124.6128 56.7656 65.4769 173.4297 96 R 4.9551 8.3466 123.4702 53.7345 32.0168 173.7186 97 P 4.3414 0.0000 0.0000 63.3929 31.6758 175.7234 98 S 4.7799 8.2797 118.4282 55.6531 65.3589 173.8755 99 L 3.9825 8.3210 124.5551 54.6914 42.3546 175.4410 100 P 4.6805 0.0000 0.0000 61.9240 33.7700 174.7793 101 E 4.2360 8.7131 117.6485 59.0584 30.5333 176.7633 102 R 5.0915 7.8097 116.3589 54.8379 34.0212 174.3814 103 I 4.6461 8.9031 123.3236 59.8762 40.1795 174.7264 104 D 5.1898 8.9150 126.6235 54.2188 42.7233 176.1648 105 N 4.7102 9.2443 123.1195 54.1427 37.6684 175.4089 106 V 3.8126 7.2926 115.7231 62.6778 32.4329 174.8376 107 L 4.4282 8.4690 124.6960 53.6840 41.0878 173.3163 108 V 4.5664 7.7904 119.0492 61.0276 34.6286 174.5710 109 C 4.7351 8.8513 126.4306 58.6278 31.7527 172.3208 110 P 3.8148 0.0000 0.0000 65.3782 31.2018 175.7237 111 N 4.5131 7.6483 116.6970 53.2420 38.2347 175.4831 112 S 4.2477 8.6882 121.8276 60.9918 63.2369 174.6538 113 N 4.6594 7.9411 117.6973 53.4447 38.6531 174.4599 114 C 4.3160 7.9750 118.2562 59.7352 32.2554 174.3011 115 I 3.4913 8.2060 125.2618 63.3918 37.9373 177.9084 116 S 3.8249 7.7962 114.0542 61.2842 62.7812 175.4691 117 H 4.3096 7.6143 117.5015 58.6580 28.3598 176.2292 118 A 4.4068 7.5570 118.9694 52.2679 19.1331 176.4984 119 E 4.7713 7.5284 114.4953 53.2560 33.1588 175.1898 120 P 4.6371 0.0000 0.0000 62.9073 29.9509 176.5784 121 V 4.4902 7.3041 116.0463 60.7354 34.4694 174.9464 122 S 4.8775 8.4756 118.0038 56.9678 64.1253 174.4290 123 S 4.5256 8.7006 119.0577 59.1720 64.6233 173.1519 124 S 5.0742 8.2075 113.9212 57.6243 65.7078 173.0267 125 F 5.3813 9.5974 125.5267 55.6513 42.9849 173.6556 126 A 4.8221 8.9745 124.6791 50.7252 20.5157 176.4686 127 V 4.3890 8.1388 123.1310 62.3696 33.0327 175.8317 128 R 4.3945 8.6982 127.4693 55.3661 33.6227 173.7025 129 K 4.5169 8.7423 129.2696 55.4137 32.4236 176.3493 130 R 4.1946 9.4864 130.5962 55.2528 28.5793 175.0124 131 A 4.0165 6.3829 125.9719 49.8785 16.6654 176.7907 132 N 5.1451 7.6820 131.4721 54.4454 39.2016 173.5620 133 D 4.6534 7.8651 116.3512 52.5326 42.7095 173.1777 134 I 4.8854 8.3130 118.9848 59.5851 39.6574 175.0339 135 A 5.0373 9.3612 129.6006 50.7275 21.2960 175.7846 136 L 5.2233 8.9378 120.4676 52.9411 45.2345 175.4088 137 K 5.0217 9.1036 126.3737 54.6492 34.2399 175.0805 138 C 3.7725 8.9726 128.9364 59.0276 32.0862 174.3948 139 K 3.8320 8.2354 125.1536 59.4546 32.3674 177.6944 140 Y 4.2972 7.8940 118.2846 60.1690 37.5510 176.4830 141 C 4.2654 7.9909 113.6058 58.7356 30.5077 174.1779 142 E 4.6457 8.0237 117.3799 57.0236 26.5298 173.7257 143 K 4.3626 7.3358 118.0108 55.1376 34.2297 175.1964 144 E 5.0454 8.1090 124.3825 54.6216 31.2324 174.8837 145 F 5.1052 9.0969 124.3048 55.3569 44.2839 174.3943 146 S 4.4601 8.7902 115.3651 58.3518 63.0171 175.0506 147 H 4.2106 9.0707 123.0979 58.7982 27.6942 177.7563 148 N 4.3126 7.6954 119.3403 55.8578 37.8665 177.4715 149 V 3.3892 7.6461 119.5896 65.8373 31.2576 178.2573 150 V 3.5385 7.4292 117.5205 65.5374 31.3641 177.2856 151 L 4.2565 8.0840 116.1269 56.3540 41.4243 177.9745 152 A 4.3663 8.2704 120.3761 51.8803 19.6551 176.5377 153 N 4.1861 7.4386 117.7495 53.7119 41.2271 174.5859 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 8.29 4.33 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 T 7.67 4.34 4.23 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 1.22 0.00 0.00 3 H 9.67 4.57 0.00 3.10 3.19 0.00 5.76 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 D 8.62 3.82 0.00 2.85 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 5 N 7.57 4.53 0.00 2.88 2.78 0.00 0.00 6.65 7.61 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 6 K 7.65 4.33 0.00 1.81 1.87 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.51 7.81 7 L 8.34 3.44 0.00 1.90 1.73 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 *8 Q 7.81 3.50 0.00 2.23 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.67 6.89 0.00 0.00 0.00 0.00 0.00 2.17 1.93 0.00 9 V 7.63 3.77 2.11 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 0.87 0.00 0.00 0.96 0.00 0.00 10 E 8.58 4.14 0.00 1.94 1.93 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 2.32 2.37 0.00 11 A 8.18 4.43 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 12 I 7.91 4.22 1.74 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 1.22 0.57 0.91 0.00 0.00 13 K 8.11 2.94 0.00 1.50 1.64 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.35 7.81 14 R 8.11 4.93 0.00 1.80 1.75 0.00 3.57 0.00 0.00 3.57 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.97 0.00 15 G 7.38 3.39 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 0.00 16 T 7.72 4.94 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 1.19 0.00 0.00 17 V 8.56 4.60 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 0.97 0.00 0.00 0.90 0.00 0.00 18 I 8.77 4.63 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.66 0.89 0.00 0.00 19 D 8.29 5.04 0.00 2.72 2.47 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 20 H 8.74 4.22 0.00 3.30 3.42 0.00 5.78 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.64 4.02 1.88 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 1.31 0.50 0.96 0.00 0.00 22 P 0.00 4.10 0.00 2.07 2.26 0.00 3.75 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 2.16 0.00 23 A 7.87 4.16 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 24 Q 8.64 3.64 0.00 2.34 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 25 I 8.10 4.11 1.94 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.81 1.05 0.00 0.00 26 G 8.23 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 0.00 0.00 0.00 27 F 8.23 4.16 0.00 3.17 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 28 K 7.58 3.80 0.00 1.97 1.98 0.00 1.77 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.17 1.42 7.81 29 L 8.31 4.18 0.00 1.70 1.77 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.41 3.94 0.00 1.46 1.42 0.79 0.60 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 31 S 7.56 3.95 0.00 3.90 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 32 L 7.59 3.54 0.00 0.95 0.79 0.07 0.53 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 33 F 7.76 4.51 0.00 3.18 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 34 K 7.89 3.85 0.00 1.82 1.90 0.00 1.67 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.44 7.81 35 L 7.91 4.19 0.00 1.71 1.68 0.88 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.76 4.01 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 1.16 0.00 0.00 37 E 7.23 4.31 0.00 1.89 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 2.29 2.21 0.00 38 T 7.25 4.38 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 39 D 8.53 4.74 0.00 2.69 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 40 Q 7.32 4.30 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.50 2.29 0.00 41 R 8.45 3.92 0.00 1.91 1.90 0.00 3.15 0.00 0.00 3.33 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 42 I 8.38 5.23 1.86 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 1.36 0.94 0.96 0.00 0.00 43 T 8.69 4.66 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 44 I 8.64 4.96 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.67 0.96 0.00 0.00 45 G 8.82 4.18 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 0.00 46 L 8.49 5.04 0.00 1.51 1.56 0.98 1.24 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 47 N 8.83 4.17 0.00 2.86 2.87 0.00 0.00 7.02 7.22 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 48 L 8.09 4.31 0.00 1.65 1.58 0.92 0.95 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 49 P 0.00 4.53 0.00 1.94 1.99 0.00 3.62 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 50 S 8.47 4.55 0.00 3.89 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.48 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 52 E 8.09 4.18 0.00 2.09 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 2.28 2.34 0.00 53 M 8.16 4.76 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.65 0.00 54 G 8.82 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.78 5.26 0.00 1.64 1.78 0.00 3.25 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 56 K 8.76 4.48 0.00 1.75 1.77 0.00 1.24 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.24 1.34 7.81 57 D 8.68 5.38 0.00 2.54 2.60 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 58 L 8.04 4.81 0.00 1.62 1.45 1.01 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.59 4.90 1.85 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 1.11 0.68 0.89 0.00 0.00 60 K 9.13 4.73 0.00 1.98 1.61 0.00 1.44 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.38 7.81 61 I 8.64 4.74 1.77 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.63 0.84 0.00 0.00 62 E 8.76 4.43 0.00 2.16 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 2.18 2.18 0.00 63 N 8.65 4.04 0.00 2.77 2.82 0.00 0.00 6.76 7.42 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 64 T 6.86 4.54 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 65 F 8.27 5.09 0.00 2.99 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 66 L 8.21 4.34 0.00 1.59 1.57 0.86 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 67 S 9.55 4.60 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 68 E 9.47 3.89 0.00 2.18 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 69 D 9.37 4.47 0.00 2.89 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 70 Q 8.16 3.98 0.00 2.34 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.85 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 71 V 7.39 3.56 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 1.01 0.00 0.00 0.91 0.00 0.00 72 D 8.05 4.51 0.00 3.06 2.72 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 73 Q 7.70 4.10 0.00 2.33 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.82 0.00 0.00 0.00 0.00 0.00 2.76 2.70 0.00 74 L 7.75 4.16 0.00 1.73 1.66 0.78 0.29 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 75 A 7.97 3.97 1.37 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 76 L 7.61 3.95 0.00 1.49 1.03 0.80 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 77 Y 7.17 4.53 0.00 3.36 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 78 A 8.08 4.86 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.32 0.00 2.05 2.12 0.00 3.68 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.20 0.00 80 Q 7.58 4.48 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.59 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 81 A 7.53 4.96 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 T 8.42 4.56 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 83 V 8.85 4.39 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.90 0.00 0.00 84 N 8.56 5.51 0.00 2.61 2.75 0.00 0.00 6.76 7.51 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 85 R 8.79 5.11 0.00 2.16 2.42 0.00 3.28 0.00 0.00 3.28 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.69 0.00 86 I 8.60 5.06 1.86 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 1.03 1.08 0.91 0.00 0.00 87 D 8.86 4.60 0.00 2.79 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 88 N 8.23 4.43 0.00 2.77 2.85 0.00 0.00 7.38 7.48 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 89 Y 8.54 3.51 0.00 3.13 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 90 E 8.51 4.68 0.00 1.97 1.83 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 2.32 2.44 0.00 91 V 8.39 3.74 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 0.87 0.00 0.00 0.95 0.00 0.00 92 V 8.73 4.46 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 0.81 0.00 0.00 0.95 0.00 0.00 93 G 7.34 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 K 8.37 4.83 0.00 1.72 1.68 0.00 1.97 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.46 7.81 95 S 9.19 4.87 0.00 3.78 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 96 R 8.35 4.96 0.00 1.78 1.79 0.00 3.30 0.00 0.00 3.46 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.68 0.00 97 P 0.00 4.34 0.00 1.96 2.02 0.00 3.87 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 2.02 2.24 0.00 98 S 8.28 4.78 0.00 3.97 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 8.32 3.98 0.00 1.59 1.62 0.88 0.92 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 0.00 100 P 0.00 4.68 0.00 2.25 2.10 0.00 3.82 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 101 E 8.71 4.24 0.00 2.14 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 2.37 2.37 0.00 102 R 7.81 5.09 0.00 1.83 1.76 0.00 3.22 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.75 0.00 103 I 8.90 4.65 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 1.32 0.76 1.08 0.00 0.00 104 D 8.91 5.19 0.00 2.62 2.65 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 0.00 0.00 0.00 0.00 105 N 9.24 4.71 0.00 2.91 3.00 0.00 0.00 6.89 8.36 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 0.00 106 V 7.29 3.81 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 0.78 0.00 0.00 0.50 0.00 0.00 107 L 8.47 4.43 0.00 1.85 1.72 0.63 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.79 4.57 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.96 0.00 0.00 109 C 8.85 4.74 0.00 3.08 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 P 0.00 3.81 0.00 0.96 1.76 0.00 3.07 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.77 0.00 111 N 7.65 4.51 0.00 3.08 2.83 0.00 0.00 6.83 7.51 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 0.00 112 S 8.69 4.25 0.00 4.03 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 0.00 113 N 7.94 4.66 0.00 2.67 2.88 0.00 0.00 7.14 7.51 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 0.00 114 C 7.97 4.32 0.00 3.05 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 I 8.21 3.49 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 1.40 0.93 0.71 0.00 0.00 116 S 7.80 3.82 0.00 3.84 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 0.00 117 H 7.61 4.31 0.00 3.13 3.33 0.00 5.66 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 0.00 118 A 7.56 4.41 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 7.53 4.77 0.00 1.79 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.08 0.00 120 P 0.00 4.64 0.00 2.16 2.11 0.00 3.67 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 121 V 7.30 4.49 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 0.41 0.00 0.00 0.94 0.00 0.00 122 S 8.48 4.88 0.00 3.83 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 0.00 123 S 8.70 4.53 0.00 4.14 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 0.00 124 S 8.21 5.07 0.00 4.02 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 0.00 125 F 9.60 5.38 0.00 2.96 2.88 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 0.00 126 A 8.97 4.82 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 0.00 127 V 8.14 4.39 2.38 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 0.79 0.00 0.00 0.98 0.00 0.00 128 R 8.70 4.39 0.00 1.92 1.74 0.00 3.14 0.00 0.00 3.10 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 129 K 8.74 4.52 0.00 1.79 1.73 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.65 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.53 7.81 130 R 9.49 4.19 0.00 1.84 1.92 0.00 3.34 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 131 A 6.38 4.02 1.25 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 0.00 0.00 0.00 132 N 7.68 5.15 0.00 2.75 2.96 0.00 0.00 7.09 8.47 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 0.00 133 D 7.87 4.65 0.00 2.87 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 0.00 134 I 8.31 4.89 1.66 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 1.23 0.73 0.87 0.00 0.00 135 A 9.36 5.04 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 L 8.94 5.22 0.00 1.67 1.69 0.68 0.78 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 0.00 137 K 9.10 5.02 0.00 1.86 1.71 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.78 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.33 7.81 138 C 8.97 3.77 0.00 3.00 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 0.00 139 K 8.24 3.83 0.00 1.56 1.68 0.00 1.26 0.00 0.00 1.44 0.00 0.00 2.35 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.93 0.21 7.81 140 Y 7.89 4.30 0.00 2.96 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 0.00 141 C 7.99 4.27 0.00 3.16 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 E 8.02 4.65 0.00 2.13 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 2.15 2.23 0.00 143 K 7.34 4.36 0.00 1.80 1.13 0.00 1.57 0.00 0.00 1.49 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.61 7.81 144 E 8.11 5.05 0.00 1.86 1.67 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 2.16 2.31 0.00 145 F 9.10 5.11 0.00 3.00 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 0.00 146 S 8.79 4.46 0.00 3.86 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 0.00 147 H 9.07 4.21 0.00 3.31 3.62 0.00 5.32 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 N 7.70 4.31 0.00 2.68 2.83 0.00 0.00 6.49 7.70 0.00 0.00 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 V 7.65 3.39 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.96 0.00 0.00 150 V 7.43 3.54 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 0.57 0.00 0.00 0.83 0.00 0.00 151 L 8.08 4.26 0.00 1.66 1.68 0.77 0.54 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 0.00 152 A 8.27 4.37 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 N 7.44 4.19 0.00 2.82 2.78 0.00 0.00 7.00 7.44 0.00 0.00 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.