NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -8 G 4.0064 8.3549 108.0280 45.8844 0.0000 172.7555 -7 R 4.0896 8.5071 119.0588 55.3680 30.5692 172.8535 -6 E 4.6216 8.5989 122.1255 54.1138 32.4122 175.1396 -5 N 4.2222 8.5480 122.1095 53.7949 39.3453 174.6068 -4 L 4.3271 8.3930 124.0465 54.6273 42.7806 175.7931 -3 Y 3.4032 7.6413 116.4728 58.0066 35.7031 172.6529 -2 F 4.4071 7.8923 120.1067 58.1440 40.7432 172.9894 -1 Q 3.0231 9.0695 129.6313 56.7477 26.3489 173.4641 0 G 3.3551 7.7967 104.4568 45.7696 0.0000 173.0432 -6 T 4.6216 8.3289 115.5255 59.3138 72.3122 173.2396 -5 T 3.8322 8.2979 117.0095 62.4949 70.2453 174.1068 -4 A 4.3071 8.4730 126.0465 52.0273 19.4806 175.9931 -3 K 3.1732 7.8113 116.5728 56.3066 31.0031 173.3529 *10 T 4.1730 8.4133 116.1590 64.3151 67.8221 171.4706 11 P 4.4125 0.0000 0.0000 64.1844 32.1041 177.4377 12 E 4.1963 7.8303 118.5843 56.0427 30.2915 177.0347 13 T 4.2046 7.8742 111.2477 61.0338 70.9940 175.5751 14 L 3.8410 8.2986 123.0470 58.2817 41.9847 178.7580 15 L 3.9507 7.9291 119.8758 58.3575 42.1591 179.0224 16 S 4.1126 8.3129 114.2242 61.2260 62.9272 176.5450 17 V 3.4517 7.9098 121.6375 65.7338 31.2559 177.8292 18 A 3.5268 8.0691 120.7640 54.9705 18.1055 179.6451 19 V 3.4970 7.8304 117.0265 66.1307 31.5242 177.9436 20 Q 3.8644 7.7828 118.8816 59.2002 28.8264 178.5459 21 V 3.5478 7.6462 119.1238 66.0087 31.5866 177.9563 22 F 4.5682 8.3562 117.9677 60.7717 38.5075 177.7456 23 I 3.7772 7.8503 118.3916 64.3633 36.9862 178.0630 24 E 4.1067 8.0448 118.1124 59.2896 29.4975 178.9836 25 R 4.3452 8.3584 115.3867 54.6264 31.2689 176.4779 26 G 4.2077 7.8642 107.9185 45.2458 0.0000 173.9078 27 Y 3.7476 8.6276 122.4801 60.5787 38.9839 178.4521 28 D 4.1403 8.2647 117.7548 57.2611 40.9503 177.6460 29 G 3.7929 7.4567 104.7678 46.4699 0.0000 173.4349 30 T 4.5777 7.4320 117.8644 62.7766 70.6598 173.4846 31 S 4.5848 8.2115 117.9090 58.3730 62.6535 175.4663 *33 E 4.1892 8.9318 118.1857 56.3765 30.9269 176.6919 34 H 4.2078 8.0451 115.8099 59.0575 28.6748 177.7494 35 L 3.9185 7.8810 120.5380 57.7154 41.4564 179.4951 36 S 4.1970 8.1261 115.0291 62.0350 62.1963 176.8748 37 K 4.0153 8.1448 125.1285 59.6814 31.5042 180.4382 38 A 4.2849 8.1572 121.2693 54.8953 18.4475 179.1939 39 A 4.1904 8.3222 117.8264 52.4385 18.7390 178.3273 40 G 3.8526 8.0804 105.1108 46.0134 0.0000 173.2126 41 I 4.7073 7.3583 111.0439 57.6345 41.1069 175.4850 42 S 4.4452 8.2746 115.7624 57.7986 64.9324 175.1340 43 K 3.9094 8.5839 122.5976 59.8300 32.1533 179.0332 44 S 4.4069 8.1531 112.7128 61.7042 62.3776 176.0390 45 S 4.2968 8.3339 115.6370 61.5517 61.9917 176.1812 46 I 3.8836 7.8546 122.1685 64.2148 36.5565 177.5571 47 Y 4.5032 7.7038 117.6205 59.8131 37.7218 177.3697 48 H 4.3652 8.1628 116.6422 57.7252 28.7552 175.2890 49 H 4.7852 8.1817 116.3852 56.9002 30.7051 174.4232 50 V 4.5553 7.1067 110.0725 60.0340 35.4743 175.5474 51 T 3.9537 8.5199 111.2800 62.3580 69.0158 174.8317 52 G 3.8650 7.1801 108.1854 44.8932 0.0000 172.4641 53 K 4.3441 8.0486 117.9401 59.7801 32.6090 178.6019 54 E 4.3678 8.2669 121.7878 58.7568 29.5998 178.1359 55 E 3.9766 8.2431 118.8680 59.3050 29.7555 178.6076 56 L 4.0861 7.8108 117.9812 57.6464 41.6915 179.2036 57 L 4.0850 8.5095 120.5477 58.1200 41.9046 178.7400 58 R 3.9505 8.3585 119.0535 59.8250 30.0380 178.4590 59 R 3.9436 8.2838 117.4271 59.2356 30.0155 178.9709 60 A 4.2878 8.1981 120.3278 55.6136 18.4630 180.2380 61 V 3.7407 8.4440 111.3286 64.2723 31.5246 178.7693 62 S 4.3010 8.6110 113.5356 61.4639 62.2354 176.2383 63 R 3.7954 8.0320 120.9904 59.2230 29.7742 178.3766 64 A 3.9456 7.8353 120.1535 55.2460 18.3549 179.6838 65 L 3.9335 8.2465 117.8878 57.9999 41.6614 179.4400 66 D 4.4454 8.5458 119.3080 57.4864 40.5088 178.7956 67 E 3.9864 7.8055 117.7828 59.1606 29.7717 179.1969 68 L 3.9133 7.8175 118.9832 57.8933 41.6878 179.4478 69 F 4.3320 8.5685 118.1638 60.6090 38.3664 177.8341 70 G 3.8078 8.4653 105.3904 48.0249 0.0000 175.4578 71 I 3.9824 7.7315 121.4740 64.5695 36.9513 178.4392 72 L 4.2410 8.0556 118.2614 56.7916 41.4500 177.6303 73 D 4.8974 7.4249 116.0457 53.8010 41.4615 176.4437 74 E 4.1813 8.0869 120.3480 55.9543 30.3249 177.2416 75 E 3.7567 8.9644 123.4897 60.0563 29.5358 178.8074 76 H 4.0670 7.4622 112.8107 56.7336 28.8773 176.4781 77 A 4.4747 7.6111 121.8507 53.0577 18.7897 178.0144 78 R 4.5950 7.9710 112.5188 55.3469 32.0777 175.4930 79 V 4.3580 7.3235 109.7152 60.1612 35.4441 175.9064 80 G 3.7982 8.5342 109.3398 45.1291 0.0000 173.8228 81 T 4.1172 8.4553 108.7728 61.2586 70.6229 175.0876 82 A 3.9651 9.0363 123.8867 55.3992 18.3365 180.1281 83 A 4.1013 7.9626 118.7794 55.0462 18.5632 179.5820 84 E 3.8545 8.2119 117.3990 59.6624 29.4685 179.7573 85 R 4.3868 8.1702 119.5517 58.5983 30.0484 178.8513 86 L 4.0303 8.3688 120.5578 58.2382 42.1464 178.5977 87 E 3.9905 8.3505 119.2823 59.3607 29.3772 178.0681 88 Y 3.9927 8.1572 119.5150 60.6762 38.6587 178.1547 89 V 3.5343 7.9334 117.9289 66.0591 31.6963 177.7248 90 V 3.7702 7.9516 116.7349 66.1216 31.7139 177.7061 91 R 4.0897 8.0295 117.6505 59.2264 29.9840 181.0689 92 R 3.9401 7.7048 118.3231 55.7931 29.5216 179.2416 *94 V 3.8335 7.7960 119.3573 63.0322 33.3788 176.9375 95 E 3.6970 8.0021 117.7174 59.4910 29.7054 178.8082 96 V 3.6157 8.1801 118.8097 65.8822 31.6896 178.5913 97 L 3.9335 7.2416 118.2528 55.5069 41.1879 178.1813 *99 A 4.3108 8.0306 121.5137 51.1476 20.2826 178.2653 100 E 4.8130 8.3414 114.8658 56.0027 30.4697 177.9906 101 L 4.2070 8.6599 123.8653 57.3727 41.9236 176.7086 102 P 4.2003 0.0000 0.0000 65.9244 31.2080 178.0350 103 Y 3.9867 7.6743 116.0215 60.9047 37.8874 178.1746 104 V 3.6047 8.1624 119.4345 66.0532 31.3462 178.0653 105 T 3.8192 8.0235 115.1704 66.7760 68.7284 176.0989 106 L 4.1222 7.9216 120.6829 57.5914 41.4766 179.3532 107 L 3.9133 7.9853 120.2080 58.3076 41.8759 179.1868 108 L 4.0315 7.9657 117.4729 57.3833 41.5750 178.9975 109 R 4.2893 7.4987 115.8026 55.9821 30.4308 176.9554 110 V 3.6054 6.8307 119.3128 63.5044 31.9581 177.0351 111 R 4.6540 8.2265 128.8733 55.1053 30.9981 173.4887 112 G 4.4718 7.7347 104.8207 43.1328 0.0000 172.0875 113 N 4.9913 8.5426 113.3126 52.7781 39.4499 175.8447 114 T 4.3055 7.8566 110.2273 61.1771 70.8188 175.3408 115 G 3.7035 8.6341 108.5526 48.4280 0.0000 175.9379 116 T 3.9538 8.1261 118.0927 66.5094 68.3729 176.5333 117 E 3.9555 8.1272 120.3232 59.5816 29.4085 179.7253 118 R 3.9772 8.4030 118.4284 58.7610 29.9885 178.9195 119 W 4.3399 8.5856 128.1717 60.5850 30.7181 177.8070 120 A 3.5113 8.5542 121.0450 55.1263 17.7832 179.6333 121 L 3.8939 8.2608 117.7218 57.7287 41.5958 179.3718 122 E 3.9523 8.3650 118.8295 59.6939 29.4702 179.6798 123 R 3.8651 7.8321 117.9732 59.3540 29.9646 179.4171 124 R 3.9905 8.1614 117.9596 59.4071 30.0125 179.4165 125 R 3.9268 8.1595 117.9293 58.9688 30.0583 178.6443 126 E 4.0598 8.5635 119.4543 59.2660 29.7062 178.6288 127 F 3.6967 8.5567 120.6981 61.1002 39.3034 176.1976 128 D 4.3583 8.4645 117.8695 58.0443 40.9661 178.0997 129 H 4.1366 8.2662 116.3343 58.9511 28.7278 178.0375 130 R 3.8333 7.8473 119.6017 59.3195 29.9544 179.3440 131 V 3.4384 7.4608 117.7017 65.8608 31.4154 177.8290 132 A 3.9651 8.4379 122.0157 54.4726 18.0425 179.5036 133 A 3.9103 7.9622 119.3681 55.0998 18.3667 179.8190 134 L 3.9097 7.8293 117.5880 57.8823 41.6273 179.5370 135 L 3.9453 7.9451 120.2813 57.8931 42.0041 178.7247 136 K 3.8471 8.2978 119.9468 59.7603 32.0950 178.4272 137 D 4.3300 8.4074 119.0031 57.3743 40.7565 178.6783 138 A 4.0407 8.3059 121.1470 54.9179 18.3703 179.5479 139 A 4.3143 8.5638 120.6867 54.8722 18.2704 179.7117 140 A 3.9802 7.9495 118.1193 55.2291 18.5591 179.0698 141 E 4.2147 8.1069 114.7463 57.0461 29.7602 177.9537 142 G 3.9555 7.8631 107.3576 45.6448 0.0000 173.9902 143 D 4.6280 7.9818 119.7635 54.4959 41.7872 176.9020 144 V 4.4921 7.3912 118.4924 60.2435 33.9398 175.0020 145 R 4.0654 8.4525 121.9237 56.4429 29.8491 176.3236 146 A 4.4618 8.3956 121.1752 52.5558 19.8004 177.2997 147 D 4.7487 7.9778 114.4540 52.7060 39.8356 176.1879 148 V 4.3774 7.2994 118.7472 60.4092 34.3823 175.5316 149 E 4.0422 8.6590 126.4505 56.2849 30.9894 178.0282 150 V 3.5316 8.4139 122.8972 66.5210 31.6672 178.6084 151 R 3.9000 7.8470 116.7225 58.4600 29.9375 178.6758 152 L 3.8737 7.7950 119.9471 57.9728 42.1753 178.3873 153 A 3.9263 8.3488 121.1413 55.6058 17.7290 179.7922 154 T 3.6097 7.9199 114.0987 66.5926 68.4596 176.8354 155 R 3.8103 7.8238 120.5605 59.4612 29.8482 178.6165 156 L 3.9994 7.8555 117.6786 57.7039 41.7002 179.2779 157 V 3.7696 7.7855 117.2986 66.1587 31.7872 177.7588 158 F 4.4992 8.8975 118.0957 60.3324 38.7435 178.2353 159 G 3.8420 8.1314 101.9646 45.6530 0.0000 175.1843 *161 I 4.0982 7.6569 122.3605 61.1753 39.0764 178.0336 162 N 4.3540 8.6055 117.7473 55.8626 38.1235 177.4894 163 S 4.2678 8.0498 115.4168 61.2734 62.8324 176.5471 164 I 2.5755 7.6608 123.6868 63.9432 36.4349 178.5196 165 V 3.5391 7.2143 112.0002 63.9991 31.3039 177.9699 166 E 4.2164 8.1055 118.4603 57.8935 29.4805 177.4583 167 W 4.7803 7.6705 113.1911 56.4913 30.3893 175.1006 168 Y 4.2556 7.4755 121.0242 56.7474 38.6715 174.3481 169 R 4.1591 7.6492 126.5039 53.2295 32.9376 173.0200 170 P 4.2508 0.0000 0.0000 62.3503 33.7516 174.9893 171 E 3.7899 8.9858 122.5785 58.1614 27.5770 178.1531 *183 S 4.3988 9.2459 123.0436 58.0491 65.5787 175.2019 184 G 3.8076 7.8742 110.0155 45.6703 0.0000 174.2709 185 V 3.8091 8.3355 115.1910 63.5838 31.9120 176.7420 186 S 4.5792 7.5682 111.3363 57.7376 65.9329 174.1616 187 G 4.1122 8.9387 108.7091 45.2442 0.0000 175.2411 188 A 4.0859 8.0641 122.5971 55.1489 18.5098 180.2244 189 G 3.6680 8.1051 103.7299 47.8164 0.0000 175.7065 190 E 4.0235 8.1956 120.3709 59.4731 29.5737 179.3910 191 R 3.9486 8.2111 118.1926 59.1898 30.0809 178.7622 192 E 3.9343 8.3413 119.1107 59.2616 29.5902 179.1150 193 V 3.7110 7.7739 117.8762 65.9583 31.5769 178.1010 194 V 3.5554 7.8381 117.9523 66.2005 31.3142 177.6944 195 D 4.3465 8.3765 118.4948 57.2807 40.5731 178.7128 196 A 3.9950 8.1789 121.2320 55.1281 18.4026 179.8523 197 V 3.5452 8.1367 116.7529 66.1000 31.6316 177.9665 198 A 4.2256 8.2524 120.6143 55.3875 18.1638 179.8297 199 R 3.9436 8.2909 116.5746 59.5461 30.1336 179.4160 200 L 4.0404 8.2474 118.9642 57.6025 41.3940 179.6255 201 V 3.4486 8.0601 117.7621 66.0023 31.5304 177.5989 202 F 4.3179 8.2156 115.9172 58.7049 39.2644 176.7638 203 G 3.9616 8.4615 104.7855 43.9552 0.0000 174.5249 204 G 3.9152 7.8936 108.9394 44.9972 0.0000 173.0583 205 L 4.2359 8.3816 117.0194 56.6590 42.2174 177.9439 206 R 4.0618 7.7695 117.3810 55.4638 30.6847 176.3609 207 K 4.1057 8.5952 121.5920 56.8457 32.1390 176.4153 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 -8 G 8.35 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 -7 R 8.51 4.09 0.00 1.88 1.93 0.00 3.17 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 -6 E 8.60 4.62 0.00 1.95 1.88 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 2.24 2.27 0.00 -5 N 8.55 4.22 0.00 2.43 2.26 0.00 0.00 7.10 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 -4 L 8.39 4.33 0.00 1.71 1.77 0.97 0.96 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 -3 Y 7.64 3.40 0.00 3.19 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 -2 F 7.89 4.41 0.00 2.99 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 -1 Q 9.07 3.02 0.00 1.78 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.07 0.00 0.00 0.00 0.00 0.00 1.16 1.61 0.00 0 G 7.80 3.36 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 0.00 -6 T 8.33 4.62 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 -5 T 8.30 3.83 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 -4 A 8.47 4.31 1.47 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 0.00 0.00 -3 K 7.81 3.17 0.00 2.00 1.87 0.00 0.61 0.00 0.00 1.63 0.00 0.00 2.13 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.50 7.81 *10 T 8.41 4.17 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 1.24 0.00 0.00 11 P 0.00 4.41 0.00 2.15 2.17 0.00 3.49 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.09 0.00 12 E 7.83 4.20 0.00 2.22 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 0.00 2.31 1.86 0.00 13 T 7.87 4.20 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 14 L 8.30 3.84 0.00 1.65 1.63 0.85 0.37 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 15 L 7.93 3.95 0.00 1.83 1.71 1.06 1.00 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 16 S 8.31 4.11 0.00 4.09 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.91 3.45 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 0.94 0.00 0.00 0.92 0.00 0.00 18 A 8.07 3.53 0.96 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 0.00 0.00 19 V 7.83 3.50 2.06 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 0.61 0.00 0.00 0.92 0.00 0.00 20 Q 7.78 3.86 0.00 2.32 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.24 0.00 21 V 7.65 3.55 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 1.04 0.00 0.00 0.92 0.00 0.00 22 F 8.36 4.57 0.00 3.21 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 23 I 7.85 3.78 1.87 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 1.52 0.58 0.91 0.00 0.00 24 E 8.04 4.11 0.00 2.10 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 2.34 2.51 0.00 25 R 8.36 4.35 0.00 1.93 1.97 0.00 3.08 0.00 0.00 2.94 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 26 G 7.86 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 0.00 0.00 0.00 27 Y 8.63 3.75 0.00 2.65 2.85 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 28 D 8.26 4.14 0.00 2.71 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 29 G 7.46 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 30 T 7.43 4.58 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 1.39 0.00 0.00 31 S 8.21 4.58 0.00 3.90 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 *33 E 8.93 4.19 0.00 2.05 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 0.00 2.25 2.38 0.00 34 H 8.05 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0.00 111 R 8.23 4.65 0.00 1.77 1.84 0.00 3.40 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 112 G 7.73 4.47 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 0.00 0.00 0.00 113 N 8.54 4.99 0.00 2.68 2.81 0.00 0.00 6.86 7.54 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 0.00 114 T 7.86 4.31 4.55 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 1.38 0.00 0.00 115 G 8.63 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 0.00 116 T 8.13 3.95 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 1.25 0.00 0.00 117 E 8.13 3.96 0.00 2.15 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 2.16 2.16 0.00 118 R 8.40 3.98 0.00 1.90 2.04 0.00 3.16 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.79 0.00 119 W 8.59 4.34 0.00 3.40 3.48 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 0.00 120 A 8.55 3.51 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 0.00 121 L 8.26 3.89 0.00 1.84 1.72 0.96 1.09 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 0.00 122 E 8.37 3.95 0.00 2.11 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 2.36 2.58 0.00 123 R 7.83 3.87 0.00 1.52 1.79 0.00 3.01 0.00 0.00 2.87 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.50 0.00 124 R 8.16 3.99 0.00 2.06 2.00 0.00 3.07 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 125 R 8.16 3.93 0.00 2.05 1.96 0.00 3.14 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.87 0.00 126 E 8.56 4.06 0.00 2.20 2.45 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 2.46 2.72 0.00 127 F 8.56 3.70 0.00 2.53 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 0.00 128 D 8.46 4.36 0.00 2.89 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 0.00 129 H 8.27 4.14 0.00 3.40 3.27 0.00 5.68 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 0.00 130 R 7.85 3.83 0.00 1.76 1.83 0.00 3.29 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.95 0.00 131 V 7.46 3.44 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 1.11 0.00 0.00 0.51 0.00 0.00 132 A 8.44 3.97 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 0.00 133 A 7.96 3.91 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 0.00 134 L 7.83 3.91 0.00 1.91 1.75 0.92 0.49 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 0.00 135 L 7.95 3.95 0.00 1.69 1.74 0.84 0.61 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 0.00 136 K 8.30 3.85 0.00 1.91 1.94 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.48 7.81 137 D 8.41 4.33 0.00 2.89 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 0.00 138 A 8.31 4.04 1.47 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 0.00 0.00 139 A 8.56 4.31 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 0.00 140 A 7.95 3.98 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 0.00 141 E 8.11 4.21 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 142 G 7.86 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 0.00 0.00 0.00 143 D 7.98 4.63 0.00 2.73 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 0.00 144 V 7.39 4.49 2.20 0.00 0.00 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 1.02 0.00 0.00 145 R 8.45 4.07 0.00 2.06 1.92 0.00 3.05 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.70 0.00 146 A 8.40 4.46 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 0.00 147 D 7.98 4.75 0.00 2.78 2.76 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 0.00 148 V 7.30 4.38 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 0.83 0.00 0.00 0.91 0.00 0.00 149 E 8.66 4.04 0.00 1.99 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 2.38 2.30 0.00 150 V 8.41 3.53 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.90 0.00 0.00 151 R 7.85 3.90 0.00 1.84 1.88 0.00 3.15 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 152 L 7.79 3.87 0.00 1.72 1.78 0.90 0.98 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 0.00 153 A 8.35 3.93 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 T 7.92 3.61 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 155 R 7.82 3.81 0.00 1.98 2.02 0.00 3.15 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 156 L 7.86 4.00 0.00 1.76 1.71 0.90 0.91 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 0.00 157 V 7.79 3.77 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 0.91 0.00 0.00 0.92 0.00 0.00 158 F 8.90 4.50 0.00 3.26 2.99 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 0.00 159 G 8.13 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *161 I 7.66 4.10 1.76 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.65 0.76 0.00 0.00 162 N 8.61 4.35 0.00 2.75 2.83 0.00 0.00 6.85 7.13 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 0.00 163 S 8.05 4.27 0.00 4.24 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 I 7.66 2.58 1.62 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 1.52 0.62 -0.03 0.00 0.00 165 V 7.21 3.54 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 0.64 0.00 0.00 0.95 0.00 0.00 166 E 8.11 4.22 0.00 2.21 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 0.00 2.37 2.52 0.00 167 W 7.67 4.78 0.00 3.41 3.17 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 0.00 168 Y 7.48 4.26 0.00 1.86 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 R 7.65 4.16 0.00 1.62 1.56 0.00 3.23 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.43 0.00 170 P 0.00 4.25 0.00 2.19 2.08 0.00 3.59 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.97 0.00 171 E 8.99 3.79 0.00 2.24 1.66 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 2.31 1.86 0.00 *183 S 9.25 4.40 0.00 4.01 4.03 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 0.00 184 G 7.87 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 0.00 0.00 0.00 185 V 8.34 3.81 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 0.76 0.00 0.00 0.94 0.00 0.00 186 S 7.57 4.58 0.00 3.92 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 0.00 187 G 8.94 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 A 8.06 4.09 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 G 8.11 3.67 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 0.00 0.00 0.00 190 E 8.20 4.02 0.00 2.27 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 2.44 2.51 0.00 191 R 8.21 3.95 0.00 2.00 2.00 0.00 3.14 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 192 E 8.34 3.93 0.00 2.17 2.20 0.00 0.00 0.00 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 2.36 0.00 193 V 7.77 3.71 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 1.14 0.00 0.00 1.29 0.00 0.00 194 V 7.84 3.56 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 1.02 0.00 0.00 0.94 0.00 0.00 195 D 8.38 4.35 0.00 2.95 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 0.00 196 A 8.18 4.00 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 197 V 8.14 3.55 2.12 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 1.07 0.00 0.00 1.02 0.00 0.00 198 A 8.25 4.23 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 R 8.29 3.94 0.00 2.04 2.03 0.00 3.16 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.89 0.00 200 L 8.25 4.04 0.00 1.71 1.73 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 201 V 8.06 3.45 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 0.26 0.00 0.00 0.94 0.00 0.00 202 F 8.22 4.32 0.00 3.28 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 G 8.46 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 0.00 0.00 0.00 204 G 7.89 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 L 8.38 4.24 0.00 1.65 1.73 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 206 R 7.77 4.06 0.00 1.80 1.87 0.00 3.22 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 207 K 8.60 4.11 0.00 1.71 1.70 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.44 7.81 * Residues marked with a * may have inaccurate shift predictions.