NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.4426 8.1727 122.0484 56.3882 33.8849 173.6439 3 V 4.5197 8.7375 128.2660 60.3970 34.5425 172.5376 4 G 4.2920 9.8049 117.4419 44.7417 0.0000 171.9521 5 I 4.7282 8.5142 127.4146 59.9989 38.2301 174.6354 6 I 4.3364 8.1097 128.8377 60.4417 38.0756 175.4925 7 M 4.7568 8.8035 128.3278 55.4177 31.9479 177.0171 8 G 3.8902 8.8319 110.1691 47.6665 0.0000 174.3907 9 S 4.6253 8.1131 114.6337 57.9608 63.1522 173.7510 10 V 4.4812 8.2488 118.7021 61.0374 32.4074 176.0957 11 R 4.1103 7.6622 119.0489 56.0195 30.5416 176.9717 12 A 3.9825 8.7377 124.5734 54.8699 18.5624 177.9811 13 K 4.4435 7.8861 119.0541 54.8037 32.4903 175.5615 14 R 4.7889 8.0771 121.7519 54.5630 32.5540 175.4344 15 V 3.7818 8.4074 118.4858 65.0149 32.4070 177.6606 16 C 4.1372 8.2832 120.9642 61.7861 31.3588 173.6003 17 P 4.2721 0.0000 0.0000 65.5334 30.8198 178.4878 18 E 4.0072 8.0054 117.3582 59.3880 29.2578 179.3915 19 I 3.7459 7.5324 119.2552 64.1797 37.2512 178.1339 20 A 4.0027 8.3130 121.6522 55.0273 18.1310 179.5965 21 A 3.9709 8.1054 119.4838 55.2760 18.4373 179.2319 22 Y 4.0674 8.1531 118.1971 60.9612 39.0455 178.5035 23 V 3.2551 8.0930 119.4617 65.5505 31.5522 177.9039 24 K 3.8695 8.1000 119.6271 59.5547 32.1023 179.1265 25 R 4.0310 8.1166 115.9320 58.9801 29.1354 178.8508 26 T 3.7149 7.4289 116.5178 66.4229 68.4993 176.4455 27 I 3.8464 7.5085 121.6271 64.2197 36.9833 177.5487 28 E 4.4959 7.7712 115.0572 56.6021 29.5617 176.3209 29 N 4.9218 7.2618 114.6992 53.7163 39.0861 176.1681 30 S 4.0180 7.5829 115.6567 61.0601 63.3130 175.1904 *39 K 4.0423 7.6078 127.7120 56.5734 32.7232 173.8423 40 I 4.8462 8.0812 126.7504 59.9740 39.6522 175.4707 41 Q 4.2642 8.7213 125.5333 54.7383 32.1391 174.2014 42 V 4.3761 8.4946 128.0437 62.2737 32.0361 175.2305 43 V 4.0453 8.5181 129.7033 62.2557 33.0900 174.0604 44 D 5.1556 8.5939 127.4588 52.5463 42.7178 176.7067 45 L 3.9704 8.6674 126.6076 57.0601 41.4878 179.2546 46 Q 3.9669 7.9087 117.8184 59.2192 28.7681 178.5216 47 Q 4.1503 7.8995 117.0229 58.7827 28.9718 178.2002 48 I 3.7011 7.7423 119.9199 62.6920 37.7300 176.6689 49 A 3.6564 7.9829 120.1335 52.8238 16.3703 177.7533 50 L 4.0094 7.5776 120.1511 54.7993 42.4458 176.3502 51 P 4.4155 0.0000 0.0000 62.4061 32.0961 176.3577 52 L 4.1065 8.4253 123.4008 57.4541 42.2833 177.2334 53 Y 4.5164 7.7099 113.5922 58.6592 39.4484 175.7239 54 E 4.2739 8.0789 119.0476 54.9657 28.2070 173.6502 55 D 4.8963 8.1438 121.5234 52.0411 42.9825 175.6429 56 D 4.4769 8.4968 127.4058 57.4515 41.0041 177.2856 57 D 4.4537 8.2245 118.3642 54.9796 40.9063 176.2687 58 E 4.3345 8.7195 123.3573 57.1819 30.3614 176.6016 59 L 4.2260 7.7350 119.5146 53.8370 42.4762 176.7851 60 I 3.8598 8.4466 124.7508 60.7572 37.7558 175.4181 61 P 4.3599 0.0000 0.0000 65.3427 31.5038 178.4596 62 A 3.6235 7.7169 120.1184 54.7307 18.3234 178.5498 63 Q 4.0654 7.8943 113.9178 57.8527 29.0377 176.3600 64 I 4.1294 7.1531 119.4265 60.4976 37.5808 175.8967 65 K 4.1825 8.4059 125.1162 57.5839 33.0643 177.0545 66 S 4.5390 7.5532 110.7891 56.1508 66.0979 174.9025 67 V 3.8778 8.6559 121.3573 66.5089 31.3904 178.0880 68 D 4.4393 7.7602 118.7035 57.3202 40.7350 177.6884 69 E 3.9882 7.8471 117.5350 59.0707 29.3233 177.2066 70 Y 4.4429 7.5512 117.5823 58.3471 37.9550 176.9055 71 A 4.0165 9.0413 127.7964 53.2326 19.0549 176.7636 72 D 4.9374 7.7656 116.6384 52.0995 43.4617 176.8269 73 S 4.1274 8.5943 122.4310 61.7730 63.3741 176.7895 74 K 4.0641 8.1321 121.8617 59.0695 31.7741 179.4068 75 T 3.9685 7.7646 115.2336 66.4649 68.2661 177.0590 76 R 3.9384 7.9094 120.0374 59.3709 30.0790 179.1035 77 S 4.1030 8.0135 112.4800 61.0634 62.3976 175.9740 78 W 4.4813 8.0662 130.7316 60.4047 30.3482 177.8947 79 S 3.5292 8.5055 113.3972 61.3021 61.8531 175.8882 80 R 3.8716 8.0580 121.0082 59.6531 29.6487 178.7547 81 I 3.5989 7.5259 117.7803 64.5077 37.4436 178.5149 82 V 3.2249 7.0223 118.6964 65.8108 31.0119 177.6402 83 N 4.0640 8.1748 115.5736 56.3173 38.7225 176.3406 84 A 4.0461 7.4128 121.3639 53.9984 18.7066 178.1067 85 L 4.0676 6.7642 115.4095 55.5388 42.4671 176.3609 86 D 4.7862 8.7522 119.6389 55.7651 42.2911 177.0999 87 I 4.6702 7.5743 117.9427 59.3441 41.2544 174.2417 88 I 4.7142 8.3209 125.6140 59.4086 40.6169 174.7169 89 V 4.5910 8.5860 127.1560 60.9592 33.6733 174.7330 90 F 4.6482 9.0423 128.8628 57.3279 39.9039 175.4044 91 V 4.7708 8.7280 126.2169 61.8538 32.5289 174.5701 92 T 5.0547 8.6920 122.7200 59.6245 71.0354 171.6342 93 P 3.6503 0.0000 0.0000 61.9750 33.1667 174.7087 94 Q 4.5056 7.7191 120.1846 54.6258 30.6416 174.3421 95 Y 4.7635 8.6416 125.2343 57.2080 39.3186 175.8169 96 N 4.3468 9.7601 124.9231 54.5052 35.9841 174.4116 97 W 3.7962 8.6763 109.7635 57.3627 27.4570 174.6015 98 G 3.9663 7.7855 107.0789 44.3446 0.0000 171.8130 99 Y 4.7717 6.8937 116.8374 54.6210 39.9136 174.2893 100 P 4.4620 0.0000 0.0000 62.8153 33.3350 177.4138 101 A 4.0703 8.7409 121.5506 55.3429 18.2804 180.0301 102 A 3.9052 8.0028 118.9339 55.1667 18.4959 179.4727 103 L 3.9434 7.7873 118.4427 58.0439 42.3431 178.8773 104 K 3.8046 7.9615 119.2618 59.2292 31.6059 178.3825 105 N 4.2871 8.5636 117.6893 56.5912 38.6642 176.7974 106 A 3.9977 7.5690 120.9550 55.2162 18.6007 179.3845 107 I 4.2464 7.9973 118.4164 64.7675 36.9554 178.2578 108 D 4.5958 8.1841 118.0207 56.6339 40.7952 178.5608 109 R 4.2753 7.9087 116.9658 57.0810 30.2778 176.0964 110 L 5.0941 7.4451 116.5880 52.4377 44.8669 174.4407 111 Y 5.0263 8.6771 118.7069 59.5920 41.8682 176.9754 112 H 4.3685 8.4159 114.8764 58.1307 29.0946 177.3275 113 E 3.7923 7.5990 118.8674 58.4951 29.7460 177.9314 114 W 4.4006 7.6778 118.2872 58.6460 29.4986 175.4828 115 H 3.9970 7.5074 117.4714 57.9210 29.1337 175.3019 116 G 3.9900 8.8274 116.1054 45.1567 0.0000 173.1886 117 K 4.1395 7.7269 122.1733 55.7589 33.5273 174.5249 118 P 5.5780 0.0000 0.0000 62.3833 33.0366 175.2299 119 A 5.1496 8.5042 124.3225 50.4946 22.7269 174.3870 120 L 5.0429 9.0901 125.1384 53.1962 45.2959 175.2644 121 V 4.6694 8.4722 125.9933 61.5626 33.6069 174.7800 122 V 4.8157 8.9095 130.6805 61.6486 32.0107 175.2213 123 S 5.6751 8.7763 123.2782 57.0161 65.3929 172.4793 124 Y 5.6786 6.7021 116.7452 55.7919 41.5682 174.3513 125 G 3.9594 8.4878 105.0773 46.6980 0.0000 173.1727 126 G 3.8649 8.9744 108.0390 46.2566 0.0000 174.0883 127 H 4.9249 8.2735 115.2433 55.3104 29.3547 174.7115 128 G 3.8850 8.2808 108.7047 44.2179 0.0000 174.1286 129 G 3.7255 7.8990 107.2100 46.9298 0.0000 176.0376 130 S 4.1444 7.8136 116.3219 61.0479 63.2086 176.4523 131 K 3.8866 7.7935 120.9561 59.4708 31.8018 178.6864 132 C 4.0892 7.9738 118.5089 62.4829 30.9638 174.9032 133 N 4.2477 7.9574 118.4000 56.7755 38.5516 176.6476 134 D 4.3391 8.2702 120.2727 57.5449 40.4415 178.7728 135 Q 4.0717 8.2053 118.5821 58.9244 28.6146 178.6814 136 L 3.7042 8.3991 121.7745 57.9925 42.0209 178.9541 137 Q 3.8025 7.9646 118.1035 58.8614 28.6042 178.6477 138 E 3.9460 8.0483 119.6084 59.2980 29.5185 179.5695 139 V 3.4991 7.4657 118.2119 65.8584 31.5377 178.1043 140 L 3.7485 7.9073 119.0557 57.9721 41.4119 179.0679 141 H 4.3181 8.4779 116.7194 59.0338 28.4468 178.1131 142 G 3.7038 7.8092 106.0935 47.1396 0.0000 174.6912 143 L 4.3095 7.3020 118.4183 53.4167 42.1084 176.5296 144 K 3.8873 7.9965 117.8762 57.6843 30.1505 175.1437 145 M 4.4800 7.7295 116.9167 55.0458 33.4043 177.2779 146 N 4.5473 8.8245 121.4510 52.9988 38.6945 172.8966 147 V 4.2222 8.1108 123.1865 62.1215 31.2483 175.0811 148 I 3.7908 8.5088 129.7586 63.1661 37.4142 177.2392 149 G 3.8956 7.2294 107.6961 46.2405 0.0000 170.6609 150 G 4.5229 7.8536 106.1229 45.4015 0.0000 172.9426 151 V 4.5602 8.8007 121.4160 60.7570 34.6646 174.0394 152 A 4.9224 8.7074 129.8963 50.0325 20.3694 176.1954 153 V 3.9316 8.5086 123.9279 60.9977 33.1733 174.9675 154 K 4.8719 8.7408 130.4441 56.4337 32.5018 175.8450 155 I 4.9023 8.8780 120.0739 58.1272 41.4924 172.9148 156 P 4.4581 0.0000 0.0000 62.5917 32.0105 175.6886 157 V 4.2722 8.1580 120.9051 62.2270 33.1042 175.5150 158 G 4.0038 9.0580 114.4262 45.4871 0.0000 173.2836 159 T 4.4610 7.6994 115.8709 61.8556 69.2463 173.6446 160 I 4.5778 7.9984 127.0183 58.2919 40.4177 174.1205 161 P 4.5724 0.0000 0.0000 61.9761 31.9339 175.8800 162 L 4.1488 8.3492 118.9789 54.2870 42.2578 176.0187 163 P 4.2313 0.0000 0.0000 63.1763 31.6965 177.2990 164 E 4.0022 8.8902 123.1010 59.1555 29.3578 178.4697 165 D 4.5207 8.0083 117.6219 55.7000 39.6748 177.7484 166 I 3.9825 7.7011 121.4478 63.3685 37.1345 178.1252 167 V 3.5315 7.3516 118.1838 65.5861 31.3741 176.2834 168 P 4.3123 0.0000 0.0000 65.4645 31.3981 177.6960 169 Q 4.2989 7.6852 114.4527 56.4427 28.7397 177.7691 170 L 4.0177 7.6138 122.1372 56.8806 41.6142 178.4346 171 S 5.5478 7.8016 114.0702 58.9797 62.7338 176.3447 172 V 3.7030 7.2549 115.8451 64.5172 31.5748 176.9405 173 H 4.7765 8.1142 114.3315 55.8797 28.7104 176.7575 174 N 4.3252 8.0240 119.9578 56.4810 38.4385 176.5895 175 E 3.9564 8.3042 119.3038 59.8549 29.6193 179.3074 176 E 3.9844 8.1471 118.2733 59.3104 29.8377 178.7112 177 I 3.7555 7.6894 119.4181 64.3416 37.0889 178.4921 178 L 3.9579 8.1461 120.0134 57.6313 40.9454 179.1115 179 Q 3.9507 8.4692 119.9088 59.5032 27.6996 178.6686 180 L 4.0806 8.0725 119.6763 57.4242 41.6956 179.5795 181 L 4.1691 7.8270 118.6944 57.5012 41.6756 179.0553 182 A 4.0410 8.0782 119.6476 55.2027 18.1786 179.5953 183 S 4.2044 7.7538 112.7493 61.9892 62.7128 176.4483 184 C 4.2519 7.4243 120.1031 62.1659 31.3384 175.0730 185 I 3.8214 7.4618 120.6015 63.4514 36.6959 175.7237 186 E 4.2746 7.6823 121.5714 56.3701 29.8630 175.5584 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 K 8.17 4.44 0.00 1.95 1.78 0.00 1.60 0.00 0.00 1.79 0.00 0.00 2.81 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.36 7.81 3 V 8.74 4.52 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 0.84 0.00 0.00 0.90 0.00 0.00 4 G 9.80 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.51 4.73 1.88 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 1.20 0.68 0.93 0.00 0.00 6 I 8.11 4.34 1.89 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.62 1.22 0.00 0.00 7 M 8.80 4.76 0.00 1.99 2.16 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 2.69 2.57 0.00 8 G 8.83 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 0.00 0.00 0.00 9 S 8.11 4.63 0.00 3.97 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 10 V 8.25 4.48 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 0.81 0.00 0.00 0.97 0.00 0.00 11 R 7.66 4.11 0.00 1.87 1.91 0.00 3.14 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 12 A 8.74 3.98 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 13 K 7.89 4.44 0.00 1.73 1.76 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.42 7.81 14 R 8.08 4.79 0.00 1.99 1.91 0.00 3.15 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 15 V 8.41 3.78 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 0.68 0.00 0.00 0.97 0.00 0.00 16 C 8.28 4.14 0.00 3.22 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 17 P 0.00 4.27 0.00 2.20 2.10 0.00 3.73 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.21 0.00 18 E 8.01 4.01 0.00 2.07 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 2.31 2.32 0.00 19 I 7.53 3.75 1.75 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 -0.29 0.95 0.00 0.00 20 A 8.31 4.00 1.39 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 21 A 8.11 3.97 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 22 Y 8.15 4.07 0.00 2.95 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 23 V 8.09 3.26 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 0.89 0.00 0.00 1.00 0.00 0.00 24 K 8.10 3.87 0.00 1.97 1.90 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.13 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.42 7.81 25 R 8.12 4.03 0.00 2.07 2.26 0.00 2.85 0.00 0.00 3.19 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.65 0.00 26 T 7.43 3.71 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 1.01 0.00 0.00 27 I 7.51 3.85 1.99 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 1.53 0.66 0.88 0.00 0.00 28 E 7.77 4.50 0.00 2.12 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 2.46 2.32 0.00 29 N 7.26 4.92 0.00 2.90 2.81 0.00 0.00 6.91 7.45 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 30 S 7.58 4.02 0.00 3.89 3.88 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 *39 K 7.61 4.04 0.00 1.85 1.75 0.00 1.68 0.00 0.00 1.80 0.00 0.00 2.79 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.47 7.81 40 I 8.08 4.85 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 1.21 0.96 0.95 0.00 0.00 41 Q 8.72 4.26 0.00 2.08 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.97 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 42 V 8.49 4.38 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 0.82 0.00 0.00 0.94 0.00 0.00 43 V 8.52 4.05 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 1.06 0.00 0.00 1.03 0.00 0.00 44 D 8.59 5.16 0.00 2.79 2.51 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 0.00 0.00 0.00 0.00 45 L 8.67 3.97 0.00 1.68 1.57 1.04 0.77 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 46 Q 7.91 3.97 0.00 2.45 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.99 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 47 Q 7.90 4.15 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.06 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 48 I 7.74 3.70 1.60 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.59 0.60 0.00 0.00 49 A 7.98 3.66 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 50 L 7.58 4.01 0.00 1.42 1.49 -0.12 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.42 0.00 2.05 2.16 0.00 3.64 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 2.03 2.07 0.00 52 L 8.43 4.11 0.00 1.31 0.60 0.47 0.60 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 53 Y 7.71 4.52 0.00 3.02 2.97 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 54 E 8.08 4.27 0.00 2.00 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 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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 0.00 130 S 7.81 4.14 0.00 3.80 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 0.00 131 K 7.79 3.89 0.00 1.67 1.78 0.00 0.79 0.00 0.00 0.64 0.00 0.00 2.29 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.23 1.19 7.81 132 C 7.97 4.09 0.00 3.08 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 0.00 133 N 7.96 4.25 0.00 2.99 2.91 0.00 0.00 7.25 8.32 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 0.00 134 D 8.27 4.34 0.00 2.86 2.69 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 0.00 0.00 0.00 0.00 135 Q 8.21 4.07 0.00 2.40 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.82 0.00 0.00 0.00 0.00 0.00 2.41 2.58 0.00 136 L 8.40 3.70 0.00 1.70 1.57 0.18 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 137 Q 7.96 3.80 0.00 2.30 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.30 2.50 0.00 138 E 8.05 3.95 0.00 2.24 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 139 V 7.47 3.50 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.79 0.00 0.00 140 L 7.91 3.75 0.00 1.80 1.57 0.29 1.06 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 0.00 141 H 8.48 4.32 0.00 3.35 3.31 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 G 7.81 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 0.00 143 L 7.30 4.31 0.00 1.57 1.57 0.34 1.12 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 0.00 144 K 8.00 3.89 0.00 1.85 1.70 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.40 7.81 145 M 7.73 4.48 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.85 0.00 146 N 8.82 4.55 0.00 2.83 2.74 0.00 0.00 6.98 7.10 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 0.00 147 V 8.11 4.22 2.16 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 0.85 0.00 0.00 0.98 0.00 0.00 148 I 8.51 3.79 2.00 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 1.17 0.66 0.97 0.00 0.00 149 G 7.23 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 0.00 150 G 7.85 4.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 V 8.80 4.56 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.97 0.00 0.00 152 A 8.71 4.92 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 0.00 153 V 8.51 3.93 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 0.80 0.00 0.00 0.86 0.00 0.00 154 K 8.74 4.87 0.00 1.86 1.74 0.00 1.81 0.00 0.00 2.15 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.57 7.81 155 I 8.88 4.90 1.89 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.91 0.87 0.00 0.00 156 P 0.00 4.46 0.00 2.21 2.09 0.00 3.72 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 157 V 8.16 4.27 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 0.99 0.00 0.00 158 G 9.06 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 0.00 0.00 0.00 159 T 7.70 4.46 4.25 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 1.26 0.00 0.00 160 I 8.00 4.58 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.63 0.93 0.00 0.00 161 P 0.00 4.57 0.00 2.17 2.11 0.00 3.79 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 162 L 8.35 4.15 0.00 1.75 1.63 0.83 0.96 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 0.00 163 P 0.00 4.23 0.00 2.26 1.99 0.00 3.59 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 2.11 2.09 0.00 164 E 8.89 4.00 0.00 2.03 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 2.37 2.37 0.00 165 D 8.01 4.52 0.00 2.86 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 0.00 166 I 7.70 3.98 2.00 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 0.54 0.85 0.00 0.00 167 V 7.35 3.53 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 1.04 0.00 0.00 0.90 0.00 0.00 168 P 0.00 4.31 0.00 2.19 2.09 0.00 3.64 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 169 Q 7.69 4.30 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 170 L 7.61 4.02 0.00 1.07 0.28 0.56 0.80 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 0.00 171 S 7.80 5.55 0.00 4.28 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 V 7.25 3.70 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 0.79 0.00 0.00 0.66 0.00 0.00 173 H 8.11 4.78 0.00 3.53 3.43 0.00 5.62 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 0.00 174 N 8.02 4.33 0.00 2.99 2.89 0.00 0.00 6.95 7.45 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 0.00 175 E 8.30 3.96 0.00 2.02 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 0.00 2.42 2.42 0.00 176 E 8.15 3.98 0.00 2.07 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 2.41 2.42 0.00 177 I 7.69 3.76 1.87 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 1.57 0.78 0.88 0.00 0.00 178 L 8.15 3.96 0.00 1.86 1.70 0.92 0.78 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 0.00 179 Q 8.47 3.95 0.00 2.14 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 180 L 8.07 4.08 0.00 1.83 1.72 0.99 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 181 L 7.83 4.17 0.00 1.90 1.68 0.95 1.01 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 0.00 182 A 8.08 4.04 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 0.00 183 S 7.75 4.20 0.00 3.92 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 0.00 184 C 7.42 4.25 0.00 3.10 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 0.00 185 I 7.46 3.82 2.04 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 1.66 0.93 0.90 0.00 0.00 186 E 7.68 4.27 0.00 1.95 1.79 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 2.21 2.20 0.00 * Residues marked with a * may have inaccurate shift predictions.