NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3158 8.2649 123.5891 51.8898 20.9646 177.1480 2 D 4.6000 7.8082 114.8563 53.5756 43.1055 174.0031 3 T 5.2536 8.4030 116.5674 61.8388 72.4822 172.4240 4 L 5.3484 9.6011 128.6378 53.6516 44.1832 174.5530 5 L 4.9568 9.0404 129.3115 53.7915 44.1988 174.9032 6 I 4.7717 8.6920 127.4107 59.7778 39.4276 174.4405 7 L 4.9685 9.3469 131.2699 53.6613 43.0954 174.9945 8 G 4.7099 8.6053 113.8591 44.8916 0.0000 168.0827 9 D 5.6756 8.5052 120.0573 52.6356 40.5985 177.5961 10 S 4.3922 8.9259 108.9925 61.7977 62.1387 176.7753 11 L 4.4572 8.3712 121.0453 57.3989 41.4112 178.6603 12 S 4.5944 8.0998 112.6620 59.6636 64.1570 175.7772 13 A 4.0660 8.3926 123.2519 52.0463 18.6498 178.4896 14 G 3.8475 8.4397 104.8643 46.2290 0.0000 172.1438 15 Y 4.4850 8.3995 123.7805 56.5745 40.0044 175.3581 16 R 3.6377 8.1407 127.0410 56.5807 27.7278 175.5081 17 M 4.7448 7.5221 111.7387 53.7913 34.3800 174.1898 18 S 4.3625 8.3295 113.8512 57.4614 64.5221 175.0173 19 A 3.9427 8.5294 123.1152 55.3653 17.7808 180.1459 20 S 4.0577 7.4656 111.2402 61.0260 63.0160 175.8723 21 A 4.2134 7.6562 122.5348 52.2161 19.4168 177.4393 22 A 4.1182 7.3242 121.5749 51.1003 19.2849 178.4228 23 W 4.2684 8.7710 119.0531 59.6416 27.6990 177.0602 24 P 3.7649 0.0000 0.0000 64.7392 30.5833 178.4628 25 A 3.8732 7.8005 119.9638 55.1115 18.3311 179.6977 26 L 3.8768 7.7042 117.0607 57.5991 41.6829 179.4090 27 L 3.5970 8.0500 120.8005 57.9352 41.8001 178.3980 28 N 4.3143 7.7813 115.6609 57.0301 38.9591 176.2122 29 D 4.4867 7.9427 118.8915 57.2256 40.9213 178.4350 30 K 4.3578 7.8327 119.4424 57.4500 32.8399 177.0345 31 W 4.7972 8.0847 120.3084 55.0755 29.2124 176.7678 *33 S 4.5199 8.2434 117.7192 57.3573 64.2343 175.3522 34 K 4.0251 7.5625 121.4319 59.1244 32.2465 176.1444 35 T 4.8913 7.5645 114.0894 61.6414 71.7242 172.8385 36 S 4.5833 9.0763 121.2913 57.5291 63.9183 172.7302 37 V 4.7226 8.5560 127.5629 61.4974 32.7705 174.8232 38 V 4.0833 8.6928 129.5639 61.4084 33.0304 174.4301 39 N 4.7464 8.7834 127.9360 51.9641 38.3749 175.1780 40 A 4.7195 8.2656 134.2321 51.3668 17.4885 176.4942 41 S 5.6116 7.4065 114.9929 56.1974 66.2850 176.0110 42 I 4.6729 8.0460 122.6375 59.2986 40.9197 175.2066 43 S 4.4449 8.9277 123.1257 60.2924 63.1622 175.1671 44 G 4.0922 9.0169 111.7697 45.5738 0.0000 173.6438 45 D 4.6758 7.8520 120.3275 54.6546 41.4272 176.8560 46 T 4.5660 8.6177 114.6409 60.2234 72.0332 176.0737 47 S 4.0949 8.8248 116.5574 61.6567 62.6170 176.6358 48 Q 3.8491 7.7527 122.3997 59.2213 29.0762 177.9951 49 Q 4.1473 8.2185 119.2021 58.8666 28.7896 179.2836 50 G 3.6929 8.3467 106.9979 47.6642 0.0000 175.5660 51 L 3.9837 7.9960 121.8454 57.8610 42.1409 178.6825 52 A 4.1285 8.0748 119.9011 54.8021 18.4757 179.1217 53 R 4.2133 7.5808 114.5181 57.6692 30.3742 178.3332 54 L 3.9036 7.5977 120.4194 57.9162 41.9950 176.8897 55 P 4.2144 0.0000 0.0000 65.7892 31.3176 178.2677 56 A 3.9626 7.9599 118.4781 55.2668 18.4178 179.3721 57 L 4.0021 7.7276 117.2115 57.9316 41.5922 179.9276 58 L 3.9606 8.2318 119.0365 57.8384 41.4644 179.5950 59 K 3.9610 7.8121 117.7673 58.8962 32.0939 178.2122 60 Q 4.0869 7.8647 119.2721 58.7528 29.3424 176.6721 61 H 4.5858 8.5213 114.8005 55.0111 30.4907 175.0786 62 Q 3.2859 8.2839 120.1937 56.1137 26.6001 172.5011 63 P 4.4838 0.0000 0.0000 62.7951 32.9150 176.8718 64 R 3.8103 8.1881 120.8524 58.1050 31.0844 176.2359 65 W 5.5586 7.8178 117.0198 54.7221 33.7451 174.6882 66 V 4.8362 8.9211 123.0742 61.0737 34.0474 174.0665 67 L 4.8968 9.4586 131.6957 54.4943 43.3871 175.3773 68 V 4.6142 8.9841 128.0269 61.7175 33.1708 174.3833 69 E 5.3253 9.4505 129.6753 54.0846 29.7176 174.0569 70 L 5.0693 8.5208 121.5702 53.1848 46.7027 175.2524 71 G 4.4947 8.8734 109.5962 46.8631 0.0000 176.7042 72 G 3.8010 8.3908 108.2546 48.1405 0.0000 173.9346 73 N 4.7374 8.2091 116.2288 54.9173 39.3638 176.7216 74 D 4.8476 8.3212 118.8611 57.6064 40.6516 179.0719 75 G 3.6274 8.2467 104.1586 47.7947 0.0000 174.7263 76 L 4.2559 7.5422 118.4996 55.4899 42.3707 176.9818 77 R 4.5370 7.8768 117.3252 56.7811 31.1325 175.8542 78 G 3.8058 8.1157 101.4292 47.0803 0.0000 174.2233 79 F 5.0071 7.7903 114.3613 55.2442 43.0138 175.9040 80 Q 4.8599 8.5754 122.1805 53.7711 32.0955 175.0263 81 P 4.3673 0.0000 0.0000 66.3163 31.2790 178.9388 82 Q 3.9864 8.1400 115.9829 59.0038 28.6062 178.7417 83 Q 4.0182 8.0251 118.3819 59.3188 28.8472 178.6641 84 T 3.6711 7.9363 116.5581 66.6605 68.5401 176.0503 85 E 3.6708 8.5967 121.3153 59.4293 29.5759 178.7283 86 Q 3.9555 8.2743 119.5697 59.3431 29.0882 178.2721 87 T 3.7900 8.0931 117.0509 66.7595 68.4749 176.7486 88 L 3.9471 8.0421 121.0201 57.5095 41.5173 179.5501 89 R 3.7746 7.9541 118.9325 59.5432 29.9493 178.6680 90 Q 4.0620 8.1282 117.8943 58.7220 28.6591 178.6801 91 I 3.6461 7.5646 120.9736 64.4647 37.2069 178.4335 92 L 3.7927 7.7769 119.7864 57.6022 41.2332 179.6481 93 Q 4.1327 7.9089 117.9388 59.2054 28.5199 178.4769 94 D 4.3908 8.0280 118.5418 57.3677 41.1460 178.8790 95 V 3.7384 7.7696 118.4596 66.0225 31.6035 178.2102 96 K 4.1957 8.4082 119.1632 58.9840 31.7787 179.2071 97 A 4.3624 8.4376 119.4155 54.2176 18.1993 178.3294 98 A 4.4495 7.5340 117.9572 50.8943 19.3817 176.2091 99 N 4.1010 8.5563 115.9993 55.7195 38.0135 173.6521 100 A 4.8932 7.6933 115.5392 49.6456 23.2303 175.9129 101 E 4.6213 9.2468 120.2757 54.5335 30.8251 174.1632 102 P 4.8979 0.0000 0.0000 62.4729 32.8725 175.9097 103 L 4.7094 9.1962 123.3360 52.9504 44.3441 175.0911 104 L 4.7153 8.4869 127.1728 54.4083 43.5483 174.9723 105 M 5.0784 8.4805 125.9876 53.7720 34.0810 175.2433 106 Q 3.6826 8.8026 127.2737 55.9841 29.9048 175.1782 107 I 3.3661 6.1685 125.3650 58.9287 40.5910 174.9467 108 R 4.4689 6.7274 124.7161 53.6034 32.4846 173.3216 109 P 4.4200 0.0000 0.0000 61.2372 32.3331 174.0969 110 P 4.0631 0.0000 0.0000 62.5044 31.5445 177.6321 111 A 4.0391 8.5031 124.7460 54.6212 18.8343 178.0755 112 N 4.9310 7.2820 112.9661 52.0268 36.0916 174.4795 113 Y 5.0055 7.6260 111.6460 57.9279 41.0430 173.8064 114 G 3.9515 8.5197 113.5106 46.0557 0.0000 174.5394 115 R 3.9396 8.9275 124.5696 59.5337 30.1986 178.7440 116 R 3.9607 8.1748 117.0935 59.7964 29.9981 178.2228 117 Y 4.2439 8.0103 118.1653 60.6225 38.9153 176.7577 118 N 4.4094 8.8350 118.0438 56.5779 38.6782 177.2583 119 E 3.9668 8.5111 118.6388 59.2382 29.4094 179.0326 120 A 3.9634 7.4022 120.2697 54.7721 18.7935 179.0595 121 F 3.9211 8.6689 120.1629 61.6370 39.0332 177.3737 122 S 4.2620 8.5775 114.7461 61.8033 62.6822 176.7259 123 A 4.0889 7.9249 122.6122 54.5951 18.0207 179.5718 124 I 3.4539 7.5110 119.0000 64.6255 36.9477 178.0582 125 Y 3.8130 7.4406 116.6576 60.6174 37.7840 176.6177 126 P 4.2968 0.0000 0.0000 65.4366 31.4687 178.4437 127 K 3.8866 7.8426 117.8038 59.6554 32.0717 178.8078 128 L 4.1481 7.9888 118.8844 57.8329 41.5393 179.3611 129 A 4.0613 8.3967 121.0398 54.9177 18.3659 179.7371 130 K 3.8869 8.1910 118.1304 59.7199 32.1955 178.5013 131 E 3.8255 8.4491 118.9360 58.8827 29.4889 177.4835 132 F 4.3490 8.5359 114.3620 56.4247 40.3200 174.7179 133 D 4.4415 7.8795 119.2267 55.7991 39.4353 172.4458 134 V 4.7195 7.8525 111.2474 58.5685 35.9910 175.8712 135 P 4.3386 0.0000 0.0000 63.2082 32.5397 175.4339 136 L 5.0222 8.4025 124.8797 53.1239 43.5441 175.7300 137 L 4.3976 9.0781 126.9974 53.7514 42.9784 175.3625 138 P 4.8197 0.0000 0.0000 62.2199 32.8548 176.2656 139 F 4.6394 8.8236 124.0935 57.6035 39.1470 175.9655 140 F 2.9863 8.5768 125.4168 59.8839 37.2358 177.0056 141 M 3.2108 5.8600 118.0047 57.2082 31.1269 178.0721 142 E 3.8080 7.0014 118.4419 59.3640 29.9973 178.7156 143 E 4.0521 7.5306 117.9613 58.8644 29.4991 179.3660 144 V 3.9038 7.1031 118.0741 66.1015 31.4492 177.4664 145 Y 4.3731 7.4409 115.8274 60.9408 37.7521 177.9341 146 L 4.4843 7.2993 115.6446 54.7442 42.6123 177.6793 147 K 4.1633 7.9475 119.4032 53.1678 33.3498 174.5760 148 P 4.3278 0.0000 0.0000 65.5356 31.4917 178.4048 149 Q 4.2057 7.8568 113.1722 57.4284 28.6361 176.4058 150 W 5.1189 8.6312 118.7458 56.8364 29.9693 174.8277 151 M 5.0239 7.9246 118.6696 53.5101 33.6750 176.0185 152 Q 4.4352 8.8119 121.9680 55.0410 30.1029 176.9252 153 D 4.4277 8.9739 119.2808 57.9224 40.6297 178.6609 154 D 4.3496 8.3193 115.2753 54.0717 39.2038 176.5116 155 G 4.0445 8.2584 107.5260 46.6358 0.0000 174.1225 156 I 4.2790 8.4379 119.7197 62.1790 39.5464 175.7071 157 H 5.0896 7.9064 116.5438 53.2683 30.9523 172.9722 158 P 5.0081 0.0000 0.0000 62.9953 32.3718 175.8504 159 N 4.9851 8.6384 120.0113 52.1509 39.5907 175.5373 160 R 4.0704 8.7355 116.5447 59.8927 29.8683 178.6699 161 D 4.4747 8.3037 116.5564 57.5344 41.0064 178.4364 162 A 3.2644 8.3514 120.9847 54.3028 18.3547 179.4271 163 Q 3.9226 7.7814 116.5505 58.9966 28.8613 177.5422 164 P 4.1021 0.0000 0.0000 65.6096 31.2521 178.7140 165 F 3.9693 7.4632 115.9683 60.4153 38.7565 177.7126 166 I 3.2985 7.7106 119.4234 63.8594 36.6496 178.3419 167 A 3.9414 8.1955 122.0583 55.3216 18.2727 179.4538 168 D 4.1969 7.8641 117.3396 57.1214 40.8946 178.7719 169 W 4.0412 8.2783 128.9106 60.8565 30.7223 177.9891 170 M 3.9701 8.3751 118.7224 58.0473 31.2057 178.4726 171 A 3.9025 7.9657 121.0701 55.1840 18.3259 179.8369 172 K 3.8515 7.7498 115.4762 59.6813 32.1731 179.3401 173 Q 3.8531 7.4234 116.9749 58.9371 28.8172 178.6001 174 L 4.1240 8.5708 120.2014 57.4098 41.5288 178.6762 175 Q 3.7664 8.4940 119.9859 59.2880 28.7319 177.5930 176 P 4.2430 0.0000 0.0000 65.4369 31.4779 177.7398 177 L 4.2256 7.8015 118.0888 56.1007 41.6705 177.8511 178 V 3.4674 6.7675 110.3375 60.0608 31.7655 175.5752 179 N 4.5119 7.9582 123.2633 53.8834 38.3867 174.0921 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 A 8.26 4.32 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 2 D 7.81 4.60 0.00 2.90 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 0.00 0.00 0.00 3 T 8.40 5.25 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 1.33 0.00 0.00 4 L 9.60 5.35 0.00 2.11 1.83 1.22 0.80 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 5 L 9.04 4.96 0.00 1.85 1.58 0.91 1.08 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 6 I 8.69 4.77 1.82 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.55 0.95 0.00 0.00 7 L 9.35 4.97 0.00 1.74 1.60 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 8 G 8.61 4.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 D 8.51 5.68 0.00 3.04 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 10 S 8.93 4.39 0.00 4.09 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 11 L 8.37 4.46 0.00 2.42 2.18 1.05 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.10 4.59 0.00 3.90 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.39 4.07 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 14 G 8.44 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 15 Y 8.40 4.49 0.00 2.82 3.01 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 16 R 8.14 3.64 0.00 1.80 1.82 0.00 3.22 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.50 0.00 17 M 7.52 4.74 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.62 0.00 18 S 8.33 4.36 0.00 3.99 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 19 A 8.53 3.94 1.27 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 0.00 0.00 0.00 20 S 7.47 4.06 0.00 3.82 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 21 A 7.66 4.21 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 22 A 7.32 4.12 1.18 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 23 W 8.77 4.27 0.00 3.47 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 3.76 0.00 1.62 1.42 0.00 2.91 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.44 0.00 25 A 7.80 3.87 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 26 L 7.70 3.88 0.00 1.78 1.64 0.84 0.46 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 27 L 8.05 3.60 0.00 1.70 1.65 -0.38 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 28 N 7.78 4.31 0.00 2.81 2.98 0.00 0.00 7.32 7.82 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 29 D 7.94 4.49 0.00 2.80 2.70 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 30 K 7.83 4.36 0.00 1.79 1.79 0.00 1.68 0.00 0.00 1.56 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.47 7.81 31 W 8.08 4.80 0.00 3.42 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 *33 S 8.24 4.52 0.00 4.03 4.06 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 34 K 7.56 4.03 0.00 1.76 1.72 0.00 1.57 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.35 7.81 35 T 7.56 4.89 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 1.52 0.00 0.00 36 S 9.08 4.58 0.00 3.99 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 37 V 8.56 4.72 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 0.79 0.00 0.00 1.08 0.00 0.00 38 V 8.69 4.08 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 0.72 0.00 0.00 0.88 0.00 0.00 39 N 8.78 4.75 0.00 2.57 2.62 0.00 0.00 7.10 7.96 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 40 A 8.27 4.72 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 41 S 7.41 5.61 0.00 3.77 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 42 I 8.05 4.67 2.04 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 1.36 0.98 0.94 0.00 0.00 43 S 8.93 4.44 0.00 3.92 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.02 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 0.00 0.00 0.00 45 D 7.85 4.68 0.00 3.01 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 46 T 8.62 4.57 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 2.40 2.10 0.00 3.76 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 64 R 8.19 3.81 0.00 1.16 0.66 0.00 2.60 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.04 0.00 65 W 7.82 5.56 0.00 3.39 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 66 V 8.92 4.84 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 1.06 0.00 0.00 0.99 0.00 0.00 67 L 9.46 4.90 0.00 1.92 1.69 1.15 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 68 V 8.98 4.61 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 0.91 0.00 0.00 1.01 0.00 0.00 69 E 9.45 5.33 0.00 2.22 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 2.39 2.77 0.00 70 L 8.52 5.07 0.00 1.69 1.56 0.96 1.11 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 71 G 8.87 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.47 1.54 0.49 1.10 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 89 R 7.95 3.77 0.00 2.04 2.17 0.00 3.16 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.12 0.00 90 Q 8.13 4.06 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.67 0.00 91 I 7.56 3.65 1.97 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 1.50 0.99 0.88 0.00 0.00 92 L 7.78 3.79 0.00 0.58 0.67 0.32 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 93 Q 7.91 4.13 0.00 2.35 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 2.65 2.86 0.00 94 D 8.03 4.39 0.00 2.79 2.74 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 95 V 7.77 3.74 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 1.11 0.00 0.00 0.99 0.00 0.00 96 K 8.41 4.20 0.00 2.05 1.91 0.00 2.04 0.00 0.00 1.89 0.00 0.00 3.06 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.53 1.40 7.81 97 A 8.44 4.36 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 98 A 7.53 4.45 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 99 N 8.56 4.10 0.00 2.76 2.84 0.00 0.00 6.79 7.99 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 0.00 100 A 7.69 4.89 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 0.00 101 E 9.25 4.62 0.00 2.15 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 2.36 2.28 0.00 102 P 0.00 4.90 0.00 2.05 2.03 0.00 3.77 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 2.01 1.98 0.00 103 L 9.20 4.71 0.00 1.64 1.69 0.99 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 104 L 8.49 4.72 0.00 1.77 1.60 1.04 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 S 8.58 4.26 0.00 3.94 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 0.00 123 A 7.92 4.09 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 I 7.51 3.45 1.25 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.89 0.31 0.00 0.00 125 Y 7.44 3.81 0.00 3.12 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 0.00 126 P 0.00 4.30 0.00 2.18 2.14 0.00 3.78 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.30 0.00 127 K 7.84 3.89 0.00 1.86 1.93 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.48 7.81 128 L 7.99 4.15 0.00 1.82 1.70 0.68 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 129 A 8.40 4.06 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 K 8.19 3.89 0.00 2.00 1.98 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.45 7.81 131 E 8.45 3.83 0.00 1.94 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 0.00 1.64 2.05 0.00 132 F 8.54 4.35 0.00 3.12 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 0.00 133 D 7.88 4.44 0.00 2.83 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 0.00 134 V 7.85 4.72 2.34 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 0.90 0.00 0.00 1.00 0.00 0.00 135 P 0.00 4.34 0.00 2.12 2.01 0.00 3.79 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 2.17 2.14 0.00 136 L 8.40 5.02 0.00 1.65 1.61 1.03 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 137 L 9.08 4.40 0.00 1.78 1.71 1.02 0.91 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 0.00 138 P 0.00 4.82 0.00 2.39 2.18 0.00 3.82 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.18 0.00 139 F 8.82 4.64 0.00 2.90 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 0.00 140 F 8.58 2.99 0.00 2.05 2.83 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 0.00 141 M 5.86 3.21 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.89 0.00 142 E 7.00 3.81 0.00 1.86 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 2.54 2.57 0.00 143 E 7.53 4.05 0.00 1.59 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 0.00 1.96 2.07 0.00 144 V 7.10 3.90 1.82 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 1.24 0.00 0.00 0.87 0.00 0.00 145 Y 7.44 4.37 0.00 2.92 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 0.00 146 L 7.30 4.48 0.00 1.70 1.62 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 147 K 7.95 4.16 0.00 0.96 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.47 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.79 0.85 7.81 148 P 0.00 4.33 0.00 2.10 2.09 0.00 3.43 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.04 0.00 149 Q 7.86 4.21 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.95 0.00 0.00 0.00 0.00 0.00 1.84 2.12 0.00 150 W 8.63 5.12 0.00 3.38 3.05 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 0.00 151 M 7.92 5.02 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.72 0.00 152 Q 8.81 4.44 0.00 2.36 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.70 0.00 0.00 0.00 0.00 0.00 2.49 2.59 0.00 153 D 8.97 4.43 0.00 2.71 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 0.00 154 D 8.32 4.35 0.00 2.73 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 0.00 155 G 8.26 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 0.00 0.00 0.00 0.00 156 I 8.44 4.28 1.58 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 1.16 0.85 0.60 0.00 0.00 157 H 7.91 5.09 0.00 3.04 3.21 0.00 5.81 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 P 0.00 5.01 0.00 2.14 2.11 0.00 3.89 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 2.15 2.19 0.00 159 N 8.64 4.99 0.00 2.80 3.00 0.00 0.00 6.96 7.69 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 0.00 160 R 8.74 4.07 0.00 1.91 2.03 0.00 3.16 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 161 D 8.30 4.47 0.00 2.94 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 0.00 162 A 8.35 3.26 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 0.00 163 Q 7.78 3.92 0.00 2.05 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.72 0.00 0.00 0.00 0.00 0.00 2.68 2.82 0.00 164 P 0.00 4.10 0.00 1.48 1.77 0.00 3.59 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 1.92 2.03 0.00 165 F 7.46 3.97 0.00 2.31 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 0.00 166 I 7.71 3.30 1.57 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.52 -0.98 0.00 0.00 167 A 8.20 3.94 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 0.00 168 D 7.86 4.20 0.00 2.71 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 0.00 169 W 8.28 4.04 0.00 3.40 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 0.00 170 M 8.38 3.97 0.00 1.82 1.80 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.00 0.00 171 A 7.97 3.90 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 0.00 172 K 7.75 3.85 0.00 1.59 1.71 0.00 1.62 0.00 0.00 1.63 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.69 7.81 173 Q 7.42 3.85 0.00 1.78 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.02 0.00 0.00 0.00 0.00 0.00 1.28 1.20 0.00 174 L 8.57 4.12 0.00 1.96 1.88 1.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 175 Q 8.49 3.77 0.00 2.29 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 176 P 0.00 4.24 0.00 2.21 2.12 0.00 3.84 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 177 L 7.80 4.23 0.00 1.64 1.67 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 178 V 6.77 3.47 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 0.00 0.00 -0.49 0.00 0.00 0.37 0.00 0.00 179 N 7.96 4.51 0.00 2.89 2.80 0.00 0.00 6.92 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.