NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.7029 8.4244 118.1280 52.9088 40.8598 174.5710 4 K 3.9490 7.9146 119.3880 54.7965 32.8131 174.4874 5 K 4.1805 8.7611 127.5997 56.0579 33.8141 174.9831 6 F 4.7133 8.7031 127.8169 56.3399 41.2528 174.3231 7 D 4.2083 7.3979 126.1788 52.0860 42.9622 175.1140 8 R 3.6804 8.2502 128.4359 59.3362 30.2558 178.7671 9 S 4.1511 7.9493 112.3895 60.8725 63.1618 175.3834 10 E 4.0546 7.8276 119.9149 57.8942 29.2198 176.3912 11 H 4.7367 8.0096 113.1267 55.9219 30.3230 173.7355 12 V 4.0490 7.3964 120.8589 61.5005 31.8052 174.9815 13 Y 4.2382 8.5943 128.8956 57.5327 39.4009 174.8348 14 R 4.2153 7.6616 125.8049 55.5279 31.1739 176.8866 15 N 4.7260 8.5474 119.1426 54.1438 38.8928 176.8917 16 D 4.3551 7.8637 121.3652 57.7195 41.0122 178.6973 17 S 4.1732 7.9690 114.9431 61.5206 62.8638 176.3563 18 F 4.4867 8.3108 122.9562 61.4221 39.1849 177.0490 19 L 3.8040 8.3297 118.9079 57.6886 41.2814 179.3335 20 E 3.9868 8.2517 118.7413 59.1601 29.3666 179.1511 21 L 3.9908 7.8638 120.5763 57.9567 42.1960 179.0149 22 I 3.6190 7.6593 119.8152 64.3396 37.0231 178.4611 23 K 3.9589 7.8935 119.2105 59.7392 31.8788 179.0824 24 D 4.4220 8.4707 118.9945 57.3739 40.6266 178.7888 25 A 4.2218 8.1432 121.3736 54.9062 18.4577 179.9018 26 V 3.7066 8.0726 117.1023 66.1767 31.4044 178.2857 27 R 4.0022 8.1192 117.5903 59.2709 30.1160 177.8282 28 F 4.3668 8.5344 120.5707 61.4623 39.5294 176.5562 29 F 3.7312 8.6213 120.2562 61.7668 38.8451 177.3781 30 S 4.4297 8.0554 112.9703 60.8548 62.7946 175.9171 31 G 3.7759 7.4379 106.0176 44.3042 0.0000 174.0706 32 T 3.8056 6.2336 110.6814 59.8899 69.6345 172.8092 33 P 4.0161 0.0000 0.0000 62.7656 31.7869 176.3499 34 V 3.8087 7.8294 122.8177 62.8095 32.3660 174.5897 35 H 5.1032 8.8901 124.0923 53.3341 32.8666 173.2407 36 S 4.6532 8.7453 114.4186 58.5250 64.0273 173.3540 37 L 4.6732 8.3747 122.5345 52.4796 42.9813 174.4322 38 P 4.5902 0.0000 0.0000 61.3731 32.0462 174.1485 39 P 4.6561 0.0000 0.0000 61.8310 31.8384 175.6112 40 P 4.1280 0.0000 0.0000 64.9042 31.4162 176.1991 41 E 4.7809 7.4695 116.9698 54.3990 33.3435 175.5001 42 R 4.2657 8.6447 119.7231 55.6030 31.0346 175.6523 43 F 4.8672 7.1618 113.1927 56.1050 40.5237 173.5511 44 Q 4.4397 9.3361 120.3422 55.0635 30.1159 174.6241 45 G 4.2842 7.7094 105.7084 43.5284 0.0000 172.8737 46 A 5.1180 8.7268 124.5801 49.8377 22.2857 177.4285 47 G 4.8003 7.4763 106.9108 46.6847 0.0000 172.0904 48 V 5.2180 8.9707 122.9998 61.3446 35.2584 174.7569 49 Y 5.8963 8.7958 123.4261 55.5157 42.0198 173.7413 50 A 5.2672 9.7619 121.9566 50.2525 23.0198 174.8166 51 L 5.3174 8.9329 120.5346 53.2572 44.6220 175.3393 52 Y 4.9444 9.3354 120.7458 56.2603 41.5778 173.8934 53 Y 4.6937 8.2193 123.1612 55.7344 41.2351 175.1848 54 T 4.3285 7.5379 113.6843 61.5168 70.7246 174.4530 55 G 3.7207 5.4330 111.8622 45.2113 0.0000 174.4163 56 H 4.9696 8.6558 120.6381 55.3081 30.5455 172.8201 57 Y 4.3030 8.4910 122.1674 57.9068 39.1352 177.3986 58 S 4.0003 8.0422 121.5761 61.3716 63.1957 176.4881 59 L 3.8539 6.9004 119.5219 56.9497 41.5424 177.3371 60 Y 5.1555 8.0330 114.0855 57.9056 38.6455 176.8868 61 D 4.7886 7.9248 121.8203 55.4037 39.5280 177.6758 62 E 3.7090 7.9187 121.0263 59.7002 29.2627 178.1268 63 Y 4.3166 8.1321 116.8660 60.7935 37.6439 178.4422 64 S 4.3287 7.9224 114.6283 60.8418 63.3686 176.5665 65 R 4.0811 7.7956 121.4426 59.0545 29.9854 178.5560 66 I 3.7328 7.8727 118.3400 64.0354 37.2094 176.8927 67 N 5.1531 8.2989 115.0268 52.1645 38.7262 176.0858 68 R 3.8898 7.8395 121.8250 58.6977 30.1081 177.3148 69 L 4.4735 7.2148 113.6761 54.1854 43.3312 175.8304 70 A 4.1353 6.8462 118.7538 51.6110 21.3757 175.4784 71 Y 4.1050 8.4246 119.1034 57.4304 36.8630 174.9416 72 N 4.6569 8.6306 121.1366 54.1026 40.0512 175.5117 73 L 4.5605 7.7979 120.2521 52.3733 43.3855 174.1248 74 P 4.0366 0.0000 0.0000 62.4361 32.1403 176.1571 75 I 3.7979 8.1568 120.8261 62.3395 39.4665 174.7151 76 Y 5.2355 7.2808 121.8738 56.2957 42.2637 173.3660 77 V 4.4571 8.2012 126.1374 61.0289 34.4380 174.5849 78 G 4.0033 7.5780 113.4580 44.5358 0.0000 170.7111 79 K 5.4384 8.5713 117.4456 54.9307 36.2585 175.6537 80 A 4.7842 9.2185 121.9077 50.5569 21.8466 175.6679 81 V 4.6753 8.3240 114.8325 58.6658 35.7924 174.2494 82 P 4.0348 0.0000 0.0000 61.9625 30.9677 177.7911 83 A 4.0052 8.3917 123.6469 54.8619 17.4431 180.1945 84 G 3.7924 7.8621 104.4620 47.6016 0.0000 175.3181 85 W 4.8432 7.7545 118.8652 57.8997 30.0475 177.2172 86 R 3.9983 7.4432 121.4522 56.6761 29.9811 176.6156 *87 Q 4.1735 8.7885 126.1534 55.9222 28.8405 175.2041 *88 S 4.8787 7.9921 120.3377 57.6513 64.6786 174.8104 *89 R 4.6119 7.9020 122.6956 55.8949 32.3936 177.5707 *90 I 4.1799 7.9281 120.7791 59.2142 38.8799 171.4792 *91 S 4.2961 9.0181 120.8060 61.4978 62.5639 176.0324 *92 D 4.3252 7.3459 113.1710 52.9715 42.4271 177.9086 93 H 4.6319 9.7846 125.0854 57.0726 31.1264 172.5080 *94 E 5.6914 8.9032 122.5851 54.0860 30.2029 174.1010 95 T 3.9056 7.6729 112.9748 64.4141 68.8646 174.9728 *96 R 4.7029 7.7061 119.4028 54.1378 34.0282 176.9330 97 A 4.7134 8.6042 120.3481 50.6666 21.4571 176.2854 98 G 3.6076 9.0272 108.1991 49.7632 0.0000 173.6685 99 S 4.6691 8.5593 114.9205 56.6246 64.3702 176.9681 100 E 3.8079 8.1543 122.3069 60.2927 29.4204 178.5273 101 L 3.8671 7.7783 120.3187 58.2027 42.1648 178.6093 102 S 3.4505 7.2420 112.4766 61.4593 61.9987 175.9454 103 N 4.1554 7.6795 118.6615 56.0889 38.2724 177.4133 104 R 3.6750 8.1102 120.5219 59.3565 30.1507 178.5652 105 I 3.4448 7.6687 119.8372 64.4464 37.0895 178.5693 106 R 3.8829 7.9126 118.8446 59.1922 29.8446 178.7287 107 E 3.8143 8.0607 119.0061 59.5097 29.6141 178.4852 108 H 4.0886 7.9465 116.3815 58.8015 28.7647 177.7226 109 G 3.7795 8.1291 107.3963 48.2266 0.0000 175.9143 110 R 3.9992 8.0114 120.4892 58.8893 29.8482 178.8272 111 N 4.4137 7.9825 115.6014 56.3235 38.7601 177.2501 112 I 4.0817 8.0217 121.0392 64.3023 37.1189 178.2587 113 A 4.1683 8.0362 120.1201 54.6199 18.2296 179.1425 114 K 4.1885 7.7580 115.4488 57.3463 32.5366 177.3988 115 T 4.5186 7.0782 109.3193 60.9008 70.1048 174.8370 116 S 4.4223 7.9912 117.2760 60.1156 63.4698 175.2325 117 N 4.7760 7.9289 114.5740 52.2445 37.5744 174.2976 118 L 4.8926 7.5253 119.1392 53.2213 44.5259 175.3839 119 D 5.0551 8.8219 122.4416 52.2276 42.9078 176.7614 120 L 4.1438 9.0237 126.4187 58.7019 42.0726 178.7673 121 C 4.3662 8.2392 114.1980 62.2834 28.3385 173.8329 122 D 4.5887 8.5771 119.0951 54.2204 40.6118 175.4036 123 F 5.4678 8.1530 118.1557 56.0017 41.9497 174.6535 124 S 5.1385 9.2193 117.1161 57.5416 67.9194 172.2605 125 C 5.5257 9.0331 113.7458 57.5278 32.9945 173.4051 126 R 4.9996 9.3086 119.4710 54.6838 33.4499 174.6221 127 F 5.6816 7.3952 114.5354 55.8236 41.1221 173.5503 128 V 4.4993 9.6247 120.2818 61.3279 34.7798 174.1515 129 I 4.9660 8.6071 128.4092 60.5404 38.2550 174.8901 130 F 4.8127 9.2188 126.2836 56.2615 40.2834 174.9198 131 E 4.6207 9.3360 122.4088 57.4376 32.2023 176.0816 132 A 4.4966 8.1491 116.6915 52.5184 20.0084 177.9879 133 T 3.9401 9.1436 118.4626 65.3531 69.4232 175.6043 134 G 3.9218 8.2843 107.2483 47.3783 0.0000 175.2873 135 S 4.6026 7.9480 116.2142 61.1179 62.6217 176.0160 136 D 4.3540 7.9681 121.8613 56.8347 40.7814 177.4523 137 M 4.2987 8.3277 118.6234 56.1139 32.1454 178.3190 138 I 2.9101 7.1482 121.5091 64.2374 37.3746 178.4433 139 S 4.2300 7.8934 114.3679 61.4843 62.8401 176.4572 140 T 3.9030 7.7071 119.1996 66.4020 68.3322 176.8587 141 V 3.5171 8.0703 120.6903 65.8535 31.5756 177.6855 142 Q 3.7875 8.3646 119.5972 59.3156 28.8213 178.4503 143 A 3.9863 8.0599 121.3746 54.7556 18.4517 179.4666 144 A 3.8770 8.1806 119.6628 55.2086 18.3771 179.8092 145 L 3.9535 7.7924 117.4513 58.1458 41.6716 179.7989 146 I 3.6640 7.6672 119.6593 64.2639 36.7520 178.4846 147 K 3.9317 7.8480 119.6176 59.4013 32.1182 178.7541 148 I 3.6245 7.9749 119.5214 64.0613 37.0725 177.2151 149 Y 4.5017 7.9542 114.9572 56.6326 39.8233 175.7694 150 K 3.9672 8.2642 118.7010 56.4739 30.3740 173.8209 151 P 4.3424 0.0000 0.0000 62.5271 32.6946 177.5867 152 L 3.3105 7.7608 123.0225 58.1017 41.8327 178.7104 153 W 5.2152 8.3564 114.2182 56.7599 29.1275 176.5928 154 N 4.8709 8.4921 117.3619 54.1243 38.9053 175.9477 155 T 4.6055 7.9310 104.9737 61.1088 70.8622 173.9586 156 V 4.1359 8.0628 118.9458 64.0336 33.1784 176.2773 157 V 4.2796 7.5260 125.0873 61.0111 31.0730 174.5107 158 D 4.6376 8.1682 126.1082 54.3386 41.8484 176.4336 159 G 3.9187 9.2573 110.5438 46.8261 0.0000 175.9872 160 F 2.8613 8.2236 122.1256 60.8300 38.9574 175.9590 161 G 3.6509 7.6794 105.4555 45.6400 0.0000 173.2396 162 N 4.5114 7.6422 117.5035 52.9659 39.3301 173.5666 163 H 4.6431 7.8121 116.2544 53.2164 32.2361 173.4578 164 T 2.4800 7.3592 114.0624 61.6611 67.2621 171.8623 165 P 3.9308 0.0000 0.0000 66.2302 31.6869 176.2727 166 G 3.6568 8.3901 109.4170 46.6472 0.0000 170.8883 167 A 3.5116 9.3163 118.1387 54.3730 15.7236 177.3355 168 G 4.0884 9.2608 109.4072 46.9839 0.0000 172.9866 169 R 4.5731 7.1709 117.3320 55.9920 31.0126 176.7764 170 F 4.6998 8.1850 114.1035 57.4136 38.6694 176.1000 171 A 4.6276 7.7199 123.9109 53.3171 21.2719 177.7065 172 Q 4.3881 7.8784 111.8371 56.0426 29.5716 176.3730 173 A 4.5699 8.4692 122.0315 51.1691 19.5785 177.5176 174 K 4.3808 8.5804 118.7742 56.6950 33.5914 177.2268 175 S 4.5028 8.6027 115.8845 57.8605 64.0994 174.7088 176 D 4.4138 8.8766 121.3194 57.4998 40.3029 179.3160 177 W 3.8727 8.1347 128.3364 60.5846 30.5404 177.9432 178 D 4.2983 8.2315 117.0353 56.7712 40.2973 178.6879 179 V 3.6033 7.3543 119.3766 64.3611 31.6914 177.8944 180 I 3.9800 7.0721 111.4805 61.0474 39.2431 175.6810 181 H 4.4701 7.2200 117.5761 53.0392 28.7279 171.2651 182 P 4.3542 0.0000 0.0000 62.4183 32.6206 176.9863 183 G 3.8916 8.0321 108.0776 44.5346 0.0000 173.0723 184 R 4.0934 8.4863 124.5881 55.7181 31.3282 176.9789 185 E 3.9665 9.2253 123.1188 59.4101 29.7459 179.7303 186 W 4.3770 8.2453 114.8138 59.2558 28.5922 178.0110 187 A 3.6388 7.0793 123.1095 55.1841 17.3140 179.8364 *188 E 3.9727 7.7558 115.8110 60.9783 29.7172 182.7950 189 K 4.3938 7.7274 115.6586 58.9294 32.5926 178.7767 190 C 4.4741 8.0811 118.1977 62.8367 27.8681 175.1541 191 T 3.5934 8.0096 105.7912 62.2570 67.3507 171.9222 192 G 4.0280 7.6995 108.2127 46.2315 0.0000 174.2539 193 V 4.2101 8.2016 120.1890 60.9264 31.6800 175.9868 194 H 4.7315 8.5583 121.4707 54.4350 29.9022 175.2191 195 S 4.3342 8.7117 115.1440 58.8103 63.5046 173.5893 196 E 4.5302 8.8005 122.4800 55.0208 30.7562 175.3431 197 P 4.1718 0.0000 0.0000 65.9410 31.4429 177.5816 198 Y 3.8724 7.8102 117.2406 60.8768 38.4802 178.2461 199 F 4.2294 8.7420 118.3932 59.7221 39.2095 177.9573 200 I 3.7678 7.9306 119.2461 64.6079 36.8780 177.8915 201 E 3.9420 8.3900 119.3948 59.6177 29.2860 179.3745 202 E 3.8174 8.1000 118.7455 59.3995 29.4206 179.6638 203 R 4.0072 8.3195 118.2761 59.1892 30.1035 179.1109 204 I 3.7903 8.2260 119.9682 64.5283 37.3357 178.5922 205 K 4.1609 8.3958 119.4365 59.5704 31.8729 179.3715 206 Q 4.0211 8.3503 118.3368 59.1040 28.4562 177.9316 207 Y 4.1837 7.7841 119.1958 61.1683 38.8126 178.3982 208 F 4.4475 7.9845 116.3916 59.5727 39.1584 177.0417 209 S 4.5876 7.9014 114.1497 59.6553 63.3632 174.9374 210 K 4.1440 7.5158 128.0012 54.9648 32.6471 181.2410 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 3 N 8.42 4.70 0.00 2.72 2.96 0.00 0.00 6.90 6.73 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 4 K 7.91 3.95 0.00 1.82 1.75 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.52 7.81 5 K 8.76 4.18 0.00 1.78 1.71 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.44 1.44 7.81 6 F 8.70 4.71 0.00 3.01 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 7 D 7.40 4.21 0.00 2.50 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 0.00 0.00 0.00 8 R 8.25 3.68 0.00 1.95 1.91 0.00 3.34 0.00 0.00 3.45 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.75 0.00 9 S 7.95 4.15 0.00 3.97 4.07 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 0.00 0.00 0.00 10 E 7.83 4.05 0.00 1.90 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 2.21 2.19 0.00 11 H 8.01 4.74 0.00 3.30 3.32 0.00 5.70 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.40 4.05 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 0.78 0.00 0.00 1.04 0.00 0.00 13 Y 8.59 4.24 0.00 2.92 2.89 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 14 R 7.66 4.22 0.00 1.59 1.90 0.00 3.36 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.49 0.00 15 N 8.55 4.73 0.00 2.79 3.00 0.00 0.00 7.14 8.08 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 16 D 7.86 4.36 0.00 2.64 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 17 S 7.97 4.17 0.00 3.91 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 18 F 8.31 4.49 0.00 3.22 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 19 L 8.33 3.80 0.00 1.84 1.64 0.92 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.25 3.99 0.00 2.17 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 2.52 2.46 0.00 21 L 7.86 3.99 0.00 1.86 1.91 0.99 1.34 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 22 I 7.66 3.62 1.78 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.15 0.78 0.00 0.00 23 K 7.89 3.96 0.00 1.95 1.87 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.63 7.81 24 D 8.47 4.42 0.00 2.87 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.14 4.22 1.58 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 0.00 0.00 26 V 8.07 3.71 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 1.11 0.00 0.00 1.01 0.00 0.00 27 R 8.12 4.00 0.00 1.93 2.19 0.00 3.37 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 28 F 8.53 4.37 0.00 3.18 3.31 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.62 3.73 0.00 3.47 3.40 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 30 S 8.06 4.43 0.00 4.18 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 31 G 7.44 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 32 T 6.23 3.81 3.66 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 0.31 0.00 0.00 33 P 0.00 4.02 0.00 1.77 1.79 0.00 3.30 0.00 0.00 3.30 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 0.00 109 G 8.13 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 0.00 110 R 8.01 4.00 0.00 1.87 1.99 0.00 3.12 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 111 N 7.98 4.41 0.00 2.74 2.80 0.00 0.00 7.09 7.50 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 0.00 112 I 8.02 4.08 2.02 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.90 0.79 0.00 0.00 113 A 8.04 4.17 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 0.00 114 K 7.76 4.19 0.00 2.00 1.92 0.00 1.72 0.00 0.00 1.78 0.00 0.00 3.12 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.64 7.81 115 T 7.08 4.52 4.12 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 1.38 0.00 0.00 116 S 7.99 4.42 0.00 3.91 3.95 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 0.00 117 N 7.93 4.78 0.00 2.69 2.85 0.00 0.00 5.81 7.79 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 0.00 118 L 7.53 4.89 0.00 1.65 1.91 0.87 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 119 D 8.82 5.06 0.00 3.04 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 0.00 120 L 9.02 4.14 0.00 1.82 1.81 0.97 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 121 C 8.24 4.37 0.00 3.08 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 0.00 122 D 8.58 4.59 0.00 2.87 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 0.00 0.00 0.00 123 F 8.15 5.47 0.00 3.22 3.07 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 0.00 0.00 0.00 124 S 9.22 5.14 0.00 3.58 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 C 9.03 5.53 0.00 3.35 3.21 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 0.00 126 R 9.31 5.00 0.00 1.86 1.20 0.00 3.08 0.00 0.00 2.98 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.42 0.00 127 F 7.40 5.68 0.00 3.31 3.25 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 0.00 128 V 9.62 4.50 2.49 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 0.70 0.00 0.00 0.80 0.00 0.00 129 I 8.61 4.97 2.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.02 1.10 0.00 0.00 130 F 9.22 4.81 0.00 3.07 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 0.00 131 E 9.34 4.62 0.00 2.02 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 2.37 2.38 0.00 132 A 8.15 4.50 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 0.00 133 T 9.14 3.94 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 1.18 0.00 0.00 134 G 8.28 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 0.00 135 S 7.95 4.60 0.00 3.88 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 0.00 136 D 7.97 4.35 0.00 2.71 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 0.00 137 M 8.33 4.30 0.00 1.93 2.28 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.80 0.00 138 I 7.15 2.91 1.84 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.48 0.94 0.00 0.00 139 S 7.89 4.23 0.00 4.04 4.12 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 0.00 140 T 7.71 3.90 4.38 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 1.16 0.00 0.00 141 V 8.07 3.52 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 1.12 0.00 0.00 1.04 0.00 0.00 142 Q 8.36 3.79 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.22 2.20 0.00 143 A 8.06 3.99 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.18 3.88 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 0.00 145 L 7.79 3.95 0.00 1.57 1.70 0.00 0.78 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 0.00 146 I 7.67 3.66 1.82 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 1.28 0.64 0.89 0.00 0.00 147 K 7.85 3.93 0.00 1.73 1.91 0.00 1.78 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.44 7.81 148 I 7.97 3.62 1.35 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 1.32 0.57 -0.01 0.00 0.00 149 Y 7.95 4.50 0.00 3.15 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 K 8.26 3.97 0.00 2.04 1.99 0.00 1.78 0.00 0.00 1.91 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.58 7.81 151 P 0.00 4.34 0.00 2.37 2.02 0.00 3.63 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 152 L 7.76 3.31 0.00 1.11 1.36 0.44 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 153 W 8.36 5.22 0.00 3.67 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 0.00 154 N 8.49 4.87 0.00 2.80 2.86 0.00 0.00 6.69 8.07 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 0.00 155 T 7.93 4.61 4.30 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 1.25 0.00 0.00 156 V 8.06 4.14 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 0.89 0.00 0.00 0.94 0.00 0.00 157 V 7.53 4.28 2.46 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 1.12 0.00 0.00 1.14 0.00 0.00 158 D 8.17 4.64 0.00 2.84 2.66 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 0.00 159 G 9.26 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 0.00 160 F 8.22 2.86 0.00 1.51 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 G 7.68 3.65 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 0.00 0.00 0.00 162 N 7.64 4.51 0.00 3.01 2.78 0.00 0.00 6.70 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 0.00 163 H 7.81 4.64 0.00 2.79 2.92 0.00 5.73 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 T 7.36 2.48 3.83 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 0.98 0.00 0.00 165 P 0.00 3.93 0.00 1.78 1.91 0.00 3.05 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 2.03 0.00 166 G 8.39 3.66 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 0.00 167 A 9.32 3.51 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.26 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 0.00 169 R 7.17 4.57 0.00 1.84 1.75 0.00 3.16 0.00 0.00 3.32 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 170 F 8.19 4.70 0.00 3.03 3.26 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 0.00 171 A 7.72 4.63 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 0.00 172 Q 7.88 4.39 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.01 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 173 A 8.47 4.57 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 K 8.58 4.38 0.00 1.70 1.83 0.00 1.53 0.00 0.00 1.27 0.00 0.00 2.95 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.33 1.32 7.81 175 S 8.60 4.50 0.00 4.29 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 0.00 176 D 8.88 4.41 0.00 2.83 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 0.00 177 W 8.13 3.87 0.00 3.37 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 0.00 178 D 8.23 4.30 0.00 2.72 2.56 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 0.00 0.00 0.00 0.00 179 V 7.35 3.60 2.03 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 0.83 0.00 0.00 0.92 0.00 0.00 180 I 7.07 3.98 1.65 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 1.45 -0.15 0.84 0.00 0.00 181 H 7.22 4.47 0.00 1.40 2.22 0.00 5.65 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 P 0.00 4.35 0.00 2.13 2.05 0.00 3.52 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 1.97 1.86 0.00 183 G 8.03 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 0.00 184 R 8.49 4.09 0.00 1.35 1.69 0.00 3.26 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.74 0.00 185 E 9.23 3.97 0.00 2.09 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 0.00 2.44 2.34 0.00 186 W 8.25 4.38 0.00 3.70 3.44 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 0.00 187 A 7.08 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *188 E 7.76 3.97 0.00 2.12 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 2.26 2.24 0.00 189 K 7.73 4.39 0.00 1.95 1.68 0.00 1.62 0.00 0.00 1.84 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.87 1.23 7.81 190 C 8.08 4.47 0.00 3.04 3.30 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 0.00 191 T 8.01 3.59 4.28 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 1.24 0.00 0.00 192 G 7.70 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 0.00 0.00 0.00 193 V 8.20 4.21 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 0.77 0.00 0.00 0.92 0.00 0.00 194 H 8.56 4.73 0.00 3.24 3.43 0.00 5.74 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 S 8.71 4.33 0.00 4.01 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 0.00 196 E 8.80 4.53 0.00 2.16 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 2.40 2.34 0.00 197 P 0.00 4.17 0.00 2.23 2.09 0.00 3.74 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.21 0.00 198 Y 7.81 3.87 0.00 2.96 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 0.00 199 F 8.74 4.23 0.00 3.21 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 0.00 200 I 7.93 3.77 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 1.88 0.93 0.97 0.00 0.00 201 E 8.39 3.94 0.00 1.90 1.86 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 2.27 2.59 0.00 202 E 8.10 3.82 0.00 1.93 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 1.47 1.99 0.00 203 R 8.32 4.01 0.00 2.09 2.06 0.00 3.20 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.91 0.00 204 I 8.23 3.79 2.15 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.89 1.30 0.00 0.00 205 K 8.40 4.16 0.00 1.97 1.90 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.70 7.81 206 Q 8.35 4.02 0.00 2.38 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.71 0.00 0.00 0.00 0.00 0.00 2.42 2.57 0.00 207 Y 7.78 4.18 0.00 2.80 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 0.00 208 F 7.98 4.45 0.00 3.11 2.93 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 0.00 0.00 0.00 209 S 7.90 4.59 0.00 4.07 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 0.00 210 K 7.52 4.14 0.00 1.78 1.52 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.28 1.24 7.81 * Residues marked with a * may have inaccurate shift predictions.