NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Y 4.6133 8.1444 118.3495 57.5496 39.6412 175.0668 3 S 4.2259 8.3587 116.2442 57.6207 64.6166 172.6764 4 I 4.0460 8.9477 121.6417 63.4730 38.2776 177.0219 5 E 4.0707 8.0441 119.2189 59.1344 29.3457 179.2113 6 V 3.6224 7.7371 118.0464 65.9168 31.6661 177.8448 7 R 3.8476 7.6304 116.7613 59.7253 29.6415 178.8965 8 T 3.9813 8.6336 115.5035 67.1830 67.6104 176.0845 9 H 4.1653 8.6008 120.3795 59.4817 30.0096 177.5930 10 S 4.4819 8.2657 116.7918 61.3979 62.5352 176.2991 11 A 4.0279 8.1630 123.6164 55.1024 18.0451 179.4175 12 L 3.9680 7.8763 117.0055 58.6467 41.7983 179.6102 13 H 4.1692 7.7514 116.1733 58.6306 28.5824 178.1508 14 V 3.7887 7.6373 119.6492 66.1958 31.4536 178.2231 15 V 3.5018 8.4721 118.9688 65.6938 31.2108 177.7299 16 K 3.8407 8.4867 119.9005 59.4711 32.0362 178.8347 17 G 2.8030 8.1302 105.5818 46.9319 0.0000 175.4727 18 A 3.6301 8.0008 123.2880 54.5340 18.3158 179.8073 19 V 3.3528 7.9774 117.2915 66.1466 31.5100 178.5258 20 V 3.3699 7.4052 117.8915 65.7303 31.0982 178.2024 21 K 3.8220 7.3645 117.4657 58.9330 31.8089 179.2489 22 V 3.7314 7.2781 117.6621 65.7995 31.8219 177.8166 23 L 4.2500 7.7788 116.6058 54.8393 42.0666 177.7748 24 G 3.8869 8.3049 106.8204 44.1265 0.0000 173.9762 25 S 3.9988 8.5903 111.9388 61.5404 62.4966 176.6060 26 E 4.0612 8.4008 118.5633 58.4371 28.9657 177.3370 27 A 5.0311 8.3524 120.3929 50.7975 19.1626 177.9386 28 K 3.7012 8.0223 117.5159 58.9079 33.1076 176.8246 29 W 4.8634 7.4416 122.0533 55.7486 30.7151 175.6288 30 T 4.6267 8.7374 122.2974 63.7133 68.9840 174.9473 31 Y 4.4699 9.7202 129.2516 59.8203 39.9297 174.9636 32 S 4.7373 7.8817 111.3289 58.3238 66.0581 173.9323 33 T 5.3453 8.3944 108.9784 60.9832 71.8311 172.5034 34 Y 4.9765 8.8230 122.5573 56.4610 42.7980 173.5430 35 V 4.4594 7.2652 125.1240 60.7859 34.7219 174.7299 36 K 4.2920 8.4562 128.6023 55.4993 35.2860 176.3699 37 G 3.7361 8.5903 118.6341 47.1669 0.0000 173.2377 38 N 4.8192 8.6884 121.9381 51.2220 37.5962 173.5668 39 K 4.8171 7.9906 118.8820 55.0406 35.0716 175.5242 40 G 3.8928 8.0854 109.3994 44.3671 0.0000 171.6745 41 V 4.9477 8.8767 120.8649 60.9395 34.9411 173.7551 42 L 5.0769 9.0816 130.6500 53.4453 44.3048 174.8283 43 I 5.1875 8.8068 127.7111 59.6641 39.4937 175.0275 44 V 4.8461 8.5745 126.9464 59.4007 34.5182 174.9571 45 K 4.6381 9.3808 124.9435 56.7400 33.0964 175.5540 46 F 5.3093 9.1113 128.5927 57.9947 42.8066 173.1875 47 D 5.0123 7.7497 119.3694 52.9790 40.1941 175.5971 48 R 3.3737 6.5146 114.7228 54.3081 32.3527 173.9875 49 K 4.2211 7.5552 119.5848 54.2843 32.3345 174.5914 50 P 4.6203 0.0000 0.0000 62.4021 32.1843 177.1846 51 S 4.3948 9.9064 117.9163 58.2191 65.1656 175.3089 52 D 4.4447 8.7065 122.6053 57.3516 40.3740 179.0240 53 E 3.9059 8.0782 119.6175 59.3388 29.7733 178.3429 54 E 3.9534 7.8595 118.2161 59.3995 29.4188 179.3363 55 I 3.7000 7.8165 119.7461 64.6485 37.2303 178.6888 56 R 3.9209 7.9243 118.6056 59.2703 29.8297 178.8013 57 E 4.0590 8.4890 119.4071 59.0528 29.4981 178.9707 58 I 3.6395 8.0354 120.4504 64.2415 37.1510 177.6611 59 E 3.9142 8.3146 120.1394 59.6984 29.3977 179.1895 60 R 3.9345 8.6007 118.0873 59.2774 30.1134 179.1462 61 L 4.0849 8.3056 118.7278 57.5319 41.4875 179.2706 62 A 4.1477 8.4902 121.1793 55.5407 18.3996 179.4656 63 N 4.2689 8.4217 115.0970 56.3292 38.6720 177.2980 64 E 3.8631 8.3240 120.9584 59.2000 29.5462 178.8839 65 K 3.5681 7.6861 118.3389 58.9270 32.2906 178.7841 66 V 3.6078 7.2847 118.7934 65.8878 31.2720 178.1768 67 K 3.9624 7.7250 117.0007 59.2897 31.9543 178.5280 68 E 3.9046 7.8918 117.7100 56.5792 30.2670 175.6651 69 N 4.0591 7.7969 116.3516 54.7477 38.2322 173.6078 70 A 4.3673 7.5991 119.4232 51.0049 20.3186 176.4875 71 P 4.6989 0.0000 0.0000 62.7754 32.6190 176.3831 72 I 4.2766 8.8829 125.7371 59.9249 37.3809 174.8958 73 K 4.0283 8.5187 127.2199 55.8504 33.3406 176.7004 74 I 4.2928 7.9845 126.5239 59.7659 36.6440 174.9666 75 Y 4.3819 8.6367 124.2595 57.7588 39.6837 174.4971 76 E 5.3840 8.5577 118.5252 54.0844 30.0790 174.6575 77 L 4.2445 8.0926 129.6152 53.8521 44.5976 173.7975 78 P 4.2807 0.0000 0.0000 64.1707 30.4276 177.5471 79 R 4.4780 7.8367 125.9791 55.3626 33.1712 176.2641 80 E 4.1902 7.6736 116.8530 58.8267 29.8366 177.9155 81 E 4.1528 8.1123 114.4934 57.5271 29.5744 177.5523 82 A 4.3204 7.5390 120.3377 53.1572 20.7903 178.1087 83 E 4.0350 7.9392 117.9231 58.6574 30.6233 177.9311 84 K 4.3033 8.2310 119.8545 55.4125 31.2224 176.3453 *86 F 4.7995 7.7664 117.4808 55.9694 41.4656 177.1416 87 G 3.8998 8.0394 108.9379 44.2619 0.0000 172.0954 88 E 4.3325 9.0830 118.2918 59.6915 29.7691 178.3894 89 D 4.0906 7.9891 119.6659 54.1689 40.7868 175.2635 *91 Y 4.6991 7.5024 114.8957 58.4279 39.3793 174.1777 92 D 5.2799 8.5810 120.6903 52.4743 43.5286 176.2124 93 L 3.8268 9.1248 121.8549 57.8373 41.8519 176.7928 94 F 4.2526 7.9480 121.3097 55.3088 39.4534 172.7847 95 P 4.2509 0.0000 0.0000 62.3089 31.6560 176.3238 96 V 4.0138 7.8153 118.5994 61.6323 30.9578 173.8902 97 P 4.4250 0.0000 0.0000 62.8773 31.9819 177.3975 98 E 4.1142 8.7616 118.9070 58.8800 29.8448 177.5827 99 D 4.8793 7.4474 118.5803 53.2902 39.4289 175.8337 100 V 4.5173 7.5392 118.8706 61.8288 33.7846 175.9623 101 R 4.7127 8.2431 124.9881 54.4891 29.3191 176.1609 102 I 4.6350 7.5318 110.3365 62.7003 38.9729 173.6375 103 L 4.6238 8.5266 128.4537 53.5764 44.1514 176.4088 104 K 4.6220 8.6534 122.5208 54.8308 33.0992 174.6770 105 V 4.4400 8.2961 125.7389 60.4153 32.9571 175.5661 106 V 4.2958 8.8505 127.5673 62.0694 32.9454 175.1927 107 V 4.8969 8.9504 126.8108 60.0649 35.3188 174.8840 108 I 4.4603 8.7289 122.9211 59.8555 40.3214 174.2156 109 E 3.8293 8.7520 125.0347 57.2163 29.4538 177.0104 110 D 4.5426 8.9952 122.1704 54.9099 38.8345 173.5363 111 W 4.6233 8.4416 127.0059 58.1035 32.6313 174.2345 112 N 4.7777 7.6523 113.9573 52.5575 41.8842 172.7356 113 V 4.6892 8.1942 124.4224 61.1621 34.4869 173.9553 114 N 4.9877 9.2074 125.8908 51.9187 42.9502 173.0513 115 A 4.7419 8.6021 127.7956 51.8801 18.9173 176.2034 116 C 4.8853 9.0011 122.0539 58.7020 34.7873 173.6744 117 N 4.8978 8.8749 120.0773 52.9318 39.7664 175.0375 118 K 4.1298 7.7497 117.5803 55.5802 32.8484 175.8361 119 E 4.0867 8.3320 121.4531 56.3158 29.9668 175.5072 120 H 4.9404 8.4121 122.5837 53.8074 32.0759 173.6431 121 T 3.0618 7.6904 111.5803 60.4114 69.8022 175.1614 122 K 4.0430 8.2654 123.6109 59.0191 32.5118 176.9678 123 T 5.0508 8.4857 107.9488 59.0654 71.8666 174.8711 124 T 3.9292 8.8672 113.7582 64.5854 68.3608 177.0719 125 G 3.6392 8.2668 108.8006 47.4625 0.0000 174.9748 126 E 4.1364 7.7050 118.9607 57.9642 29.5377 178.8984 127 I 3.9257 7.4628 120.4802 63.3561 37.6126 176.5535 128 G 4.4923 7.4831 102.9856 44.5970 0.0000 170.8046 129 P 4.5528 0.0000 0.0000 63.0786 32.1361 175.3828 130 I 4.9794 9.5873 125.3140 59.4531 39.6059 174.9403 131 K 5.5373 8.9249 126.7157 53.8025 35.2230 174.7336 132 I 4.7920 8.9908 128.2542 60.9948 37.3792 175.7466 133 R 4.4922 8.9807 126.5399 57.0258 31.6754 176.8064 134 K 4.4386 7.6807 117.4338 55.3474 35.7062 173.9512 135 V 5.0395 8.6531 126.7903 61.2418 33.9465 174.5528 136 R 4.7864 9.1276 126.6426 54.3517 33.3948 174.1267 137 F 5.2071 9.0273 125.8900 56.7337 41.4671 175.7478 138 R 4.1484 7.5872 125.6936 53.6282 29.7483 176.6630 139 K 3.8894 7.8125 123.9347 59.3170 32.4333 177.0593 140 S 4.0022 7.5916 111.0716 61.8221 62.3484 174.9740 141 K 3.9818 7.7076 119.6188 56.3434 33.1344 176.8309 142 G 3.7765 7.9573 107.8762 46.8758 0.0000 173.2297 143 L 5.2107 6.9577 117.1309 52.5454 46.0593 176.8283 144 L 5.1431 9.4809 125.5514 53.5307 44.5982 174.6784 145 E 4.9593 9.7713 127.1548 55.0833 31.6526 175.1427 146 I 4.7114 8.9697 127.3855 60.0418 39.0210 174.1991 147 H 5.4362 9.4430 126.1449 54.7038 30.3897 174.9016 148 F 5.6083 8.7330 117.4609 55.9056 42.2333 172.8167 149 E 5.0481 9.5330 115.9754 54.8973 32.8666 174.7669 150 L 4.7442 8.4940 122.4175 54.8689 42.5638 176.3533 151 L 4.7501 8.2885 121.5307 52.6045 44.1166 176.6984 152 E 4.7750 8.3579 120.2420 55.9412 29.9643 178.1487 153 L 4.2814 7.5724 119.7441 53.9363 39.4351 176.4252 154 E 3.9676 8.3362 120.5484 56.5954 29.1816 173.5689 155 N 4.5663 7.8233 121.0519 54.4004 39.2249 173.7785 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 Y 8.14 4.61 0.00 3.01 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 3 S 8.36 4.23 0.00 4.00 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 4 I 8.95 4.05 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.08 0.93 0.00 0.00 5 E 8.04 4.07 0.00 2.03 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 2.52 2.33 0.00 6 V 7.74 3.62 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 0.92 0.00 0.00 0.99 0.00 0.00 7 R 7.63 3.85 0.00 2.19 1.99 0.00 3.38 0.00 0.00 3.52 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.73 0.00 8 T 8.63 3.98 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 9 H 8.60 4.17 0.00 3.26 3.39 0.00 5.59 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 10 S 8.27 4.48 0.00 4.02 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 11 A 8.16 4.03 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.88 3.97 0.00 1.92 1.74 0.96 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 13 H 7.75 4.17 0.00 3.50 3.36 0.00 5.62 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 V 7.64 3.79 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 1.00 0.00 0.00 0.89 0.00 0.00 15 V 8.47 3.50 1.64 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 0.70 0.00 0.00 0.22 0.00 0.00 16 K 8.49 3.84 0.00 1.92 1.82 0.00 1.55 0.00 0.00 1.50 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.51 7.81 17 G 8.13 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 0.00 0.00 0.00 18 A 8.00 3.63 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 19 V 7.98 3.35 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 0.82 0.00 0.00 0.83 0.00 0.00 20 V 7.41 3.37 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.75 0.00 0.00 21 K 7.36 3.82 0.00 1.53 1.64 0.00 1.60 0.00 0.00 1.39 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.83 0.80 7.81 22 V 7.28 3.73 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.90 0.00 0.00 23 L 7.78 4.25 0.00 1.47 1.29 0.87 0.26 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 24 G 8.30 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.59 4.00 0.00 4.00 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 26 E 8.40 4.06 0.00 2.23 2.43 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 2.41 2.35 0.00 27 A 8.35 5.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.02 3.70 0.00 1.43 1.66 0.00 1.31 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.11 0.21 7.81 29 W 7.44 4.86 0.00 3.65 3.29 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 30 T 8.74 4.63 4.58 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 1.37 0.00 0.00 31 Y 9.72 4.47 0.00 2.91 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 32 S 7.88 4.74 0.00 3.83 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 33 T 8.39 5.35 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 1.27 0.00 0.00 34 Y 8.82 4.98 0.00 3.09 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 35 V 7.27 4.46 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 0.69 0.00 0.00 0.90 0.00 0.00 36 K 8.46 4.29 0.00 1.65 1.54 0.00 1.74 0.00 0.00 1.62 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.43 7.81 37 G 8.59 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 38 N 8.69 4.82 0.00 2.85 3.01 0.00 0.00 6.59 6.61 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 39 K 7.99 4.82 0.00 1.72 1.61 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.29 1.30 7.81 40 G 8.09 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.88 4.95 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 1.04 0.00 0.00 42 L 9.08 5.08 0.00 1.93 1.61 0.96 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 43 I 8.81 5.19 2.13 0.00 0.00 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 1.36 1.01 1.05 0.00 0.00 44 V 8.57 4.85 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 0.73 0.00 0.00 1.00 0.00 0.00 45 K 9.38 4.64 0.00 2.01 1.99 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.62 1.62 7.81 46 F 9.11 5.31 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 47 D 7.75 5.01 0.00 2.70 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 48 R 6.51 3.37 0.00 1.48 1.46 0.00 2.86 0.00 0.00 2.95 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 1.40 0.00 49 K 7.56 4.22 0.00 1.63 1.63 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.41 1.52 7.81 50 P 0.00 4.62 0.00 2.13 2.04 0.00 3.83 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.35 0.00 51 S 9.91 4.39 0.00 3.95 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 52 D 8.71 4.44 0.00 2.75 2.79 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 53 E 8.08 3.91 0.00 2.08 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 2.38 2.46 0.00 54 E 7.86 3.95 0.00 2.15 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 55 I 7.82 3.70 2.06 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.91 0.94 0.00 0.00 56 R 7.92 3.92 0.00 2.03 1.99 0.00 3.14 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.97 0.00 57 E 8.49 4.06 0.00 2.38 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 2.31 2.40 0.00 58 I 8.04 3.64 2.06 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 1.32 0.62 0.86 0.00 0.00 59 E 8.31 3.91 0.00 2.04 2.14 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 2.33 2.39 0.00 60 R 8.60 3.93 0.00 2.03 1.99 0.00 3.24 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 61 L 8.31 4.08 0.00 2.04 2.03 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.49 4.15 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 63 N 8.42 4.27 0.00 2.87 2.88 0.00 0.00 6.75 8.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.32 3.86 0.00 2.28 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 2.31 2.32 0.00 65 K 7.69 3.57 0.00 0.79 1.44 0.00 1.18 0.00 0.00 1.24 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.97 7.81 66 V 7.28 3.61 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.94 0.00 0.00 67 K 7.73 3.96 0.00 1.88 1.82 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.62 7.81 68 E 7.89 3.90 0.00 1.88 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 2.22 2.23 0.00 69 N 7.80 4.06 0.00 2.76 2.73 0.00 0.00 7.12 7.81 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 70 A 7.60 4.37 1.17 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 0.00 0.00 0.00 71 P 0.00 4.70 0.00 2.05 2.03 0.00 3.71 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 72 I 8.88 4.28 2.04 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.50 0.74 0.00 0.00 73 K 8.52 4.03 0.00 1.78 1.38 0.00 1.73 0.00 0.00 1.49 0.00 0.00 2.77 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.29 1.37 7.81 74 I 7.98 4.29 1.81 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 1.28 0.50 0.92 0.00 0.00 75 Y 8.64 4.38 0.00 3.10 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 76 E 8.56 5.38 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.21 0.00 77 L 8.09 4.24 0.00 1.75 1.69 1.07 0.90 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 78 P 0.00 4.28 0.00 2.13 2.14 0.00 3.79 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 2.15 1.97 0.00 79 R 7.84 4.48 0.00 1.95 1.95 0.00 3.37 0.00 0.00 3.44 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 80 E 7.67 4.19 0.00 2.02 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 2.39 2.35 0.00 81 E 8.11 4.15 0.00 1.91 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 2.30 2.28 0.00 82 A 7.54 4.32 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 7.94 4.04 0.00 2.35 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 2.46 0.00 84 K 8.23 4.30 0.00 1.69 1.68 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.36 7.81 *86 F 7.77 4.80 0.00 3.05 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 87 G 8.04 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 E 9.08 4.33 0.00 2.11 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.55 0.00 89 D 7.99 4.09 0.00 2.63 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *91 Y 7.50 4.70 0.00 3.48 3.10 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 92 D 8.58 5.28 0.00 2.85 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 93 L 9.12 3.83 0.00 2.00 1.87 1.12 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 94 F 7.95 4.25 0.00 3.00 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 95 P 0.00 4.25 0.00 1.73 1.33 0.00 3.15 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 96 V 7.82 4.01 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 1.17 0.00 0.00 97 P 0.00 4.42 0.00 2.25 2.02 0.00 3.71 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.15 0.00 98 E 8.76 4.11 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 99 D 7.45 4.88 0.00 2.91 2.81 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 0.00 100 V 7.54 4.52 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.04 0.00 0.00 101 R 8.24 4.71 0.00 1.92 1.94 0.00 3.31 0.00 0.00 3.31 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 102 I 7.53 4.63 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 1.40 1.40 0.94 0.00 0.00 103 L 8.53 4.62 0.00 1.67 1.68 1.04 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 104 K 8.65 4.62 0.00 1.90 1.79 0.00 1.58 0.00 0.00 1.92 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.51 7.81 105 V 8.30 4.44 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 1.00 0.00 0.00 0.36 0.00 0.00 106 V 8.85 4.30 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 0.61 0.00 0.00 0.90 0.00 0.00 107 V 8.95 4.90 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 0.86 0.00 0.00 0.91 0.00 0.00 108 I 8.73 4.46 1.99 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 1.16 0.71 0.81 0.00 0.00 109 E 8.75 3.83 0.00 1.97 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 2.36 2.50 0.00 110 D 9.00 4.54 0.00 2.89 2.79 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 0.00 111 W 8.44 4.62 0.00 3.41 3.08 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 0.00 0.00 0.00 112 N 7.65 4.78 0.00 2.88 2.70 0.00 0.00 6.46 7.71 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 0.00 113 V 8.19 4.69 1.92 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 0.32 0.00 0.00 0.71 0.00 0.00 114 N 9.21 4.99 0.00 2.69 2.67 0.00 0.00 6.67 7.81 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 0.00 115 A 8.60 4.74 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 0.00 116 C 9.00 4.89 0.00 3.30 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 0.00 117 N 8.87 4.90 0.00 2.72 2.83 0.00 0.00 7.01 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 0.00 118 K 7.75 4.13 0.00 1.35 1.40 0.00 1.41 0.00 0.00 1.36 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.36 7.81 119 E 8.33 4.09 0.00 1.89 1.80 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 2.26 2.34 0.00 120 H 8.41 4.94 0.00 3.07 3.02 0.00 5.75 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 0.00 121 T 7.69 3.06 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 0.80 0.00 0.00 122 K 8.27 4.04 0.00 1.96 1.95 0.00 1.60 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.38 7.81 123 T 8.49 5.05 4.50 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 1.20 0.00 0.00 124 T 8.87 3.93 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 1.06 0.00 0.00 125 G 8.27 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 E 7.70 4.14 0.00 2.09 2.14 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 2.48 2.41 0.00 127 I 7.46 3.93 1.93 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 1.43 0.53 0.94 0.00 0.00 128 G 7.48 4.49 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 0.00 0.00 0.00 0.00 0.00 0.00 129 P 0.00 4.55 0.00 2.14 2.21 0.00 3.85 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 130 I 9.59 4.98 1.88 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 1.23 0.83 1.01 0.00 0.00 131 K 8.92 5.54 0.00 1.83 1.67 0.00 1.69 0.00 0.00 1.78 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.26 7.81 132 I 8.99 4.79 1.93 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 1.42 0.87 1.06 0.00 0.00 133 R 8.98 4.49 0.00 1.69 2.00 0.00 3.40 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 1.64 1.86 0.00 134 K 7.68 4.44 0.00 1.78 1.57 0.00 1.51 0.00 0.00 1.72 0.00 0.00 2.71 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.41 1.39 7.81 135 V 8.65 5.04 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 1.02 0.00 0.00 1.00 0.00 0.00 136 R 9.13 4.79 0.00 1.84 1.84 0.00 3.37 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 137 F 9.03 5.21 0.00 3.05 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 0.00 138 R 7.59 4.15 0.00 1.46 1.60 0.00 3.34 0.00 0.00 2.98 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.41 0.00 139 K 7.81 3.89 0.00 1.82 1.83 0.00 1.84 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.71 7.81 140 S 7.59 4.00 0.00 3.80 3.73 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 0.00 141 K 7.71 3.98 0.00 1.57 1.62 0.00 1.79 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.35 1.33 7.81 142 G 7.96 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 0.00 143 L 6.96 5.21 0.00 1.35 1.37 -0.18 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 144 L 9.48 5.14 0.00 2.07 1.74 1.26 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 145 E 9.77 4.96 0.00 2.17 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 2.26 2.31 0.00 146 I 8.97 4.71 1.95 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 1.27 1.26 0.97 0.00 0.00 147 H 9.44 5.44 0.00 3.20 3.25 0.00 5.58 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 0.00 148 F 8.73 5.61 0.00 3.24 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 0.00 149 E 9.53 5.05 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.32 0.00 150 L 8.49 4.74 0.00 1.58 1.67 1.07 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 151 L 8.29 4.75 0.00 1.57 1.58 0.95 0.83 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 0.00 152 E 8.36 4.77 0.00 1.92 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 2.23 2.33 0.00 153 L 7.57 4.28 0.00 1.75 1.71 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 154 E 8.34 3.97 0.00 2.08 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 2.15 2.33 0.00 155 N 7.82 4.57 0.00 2.77 2.61 0.00 0.00 7.24 7.56 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 * Residues marked with a * may have inaccurate shift predictions.