NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5209 8.3044 118.7942 54.4601 33.2458 175.3134 2 K 4.2228 9.3269 120.3309 58.0711 34.4682 172.7316 3 K 5.0742 9.4856 122.6666 54.8554 34.5601 175.0853 4 I 5.1037 8.7975 126.3150 59.3227 40.2838 174.5989 5 A 4.8657 8.7012 128.7747 50.0419 21.6142 175.2451 6 I 4.8559 8.6873 122.7201 59.4046 40.3625 174.4516 7 F 5.1796 9.5676 130.2609 56.5315 41.3685 174.0596 8 G 4.4106 8.5896 113.6595 45.4490 0.0000 171.7022 9 S 4.2489 7.8045 114.8368 56.8455 65.6718 176.1535 10 A 4.0978 8.4734 126.2032 52.9880 19.0927 177.8202 11 F 3.6493 7.1035 114.2955 59.2871 37.4421 175.7103 12 N 5.2224 7.7170 115.5846 51.5451 39.0053 170.2789 13 P 5.4746 0.0000 0.0000 59.3170 34.2794 174.0695 14 P 4.1330 0.0000 0.0000 62.9529 31.5278 176.5248 15 S 4.9307 8.3582 115.8943 55.7839 67.6925 175.0304 16 L 4.3907 8.9520 121.5947 57.3260 40.6001 180.2428 17 G 3.5839 8.1074 106.3735 48.1216 0.0000 175.5180 18 H 4.5526 8.1956 118.5930 58.5341 28.7567 177.5584 19 K 4.0666 8.6207 121.7614 59.6635 31.8203 178.9416 20 S 4.2768 8.0530 113.4850 61.2812 63.0580 176.6109 21 V 3.5469 7.4587 120.9618 65.9741 31.4674 178.2140 22 I 3.6230 7.8072 119.8690 64.0623 36.7378 177.9980 23 E 4.1621 8.3005 117.4813 58.2266 29.5695 178.2382 24 S 4.4927 7.6371 113.9789 58.9758 63.6874 174.2029 25 L 4.9565 7.5652 122.8092 54.7339 41.8914 178.6921 26 S 4.2628 8.3069 116.1045 61.2132 62.9437 174.6053 27 H 4.4646 8.4020 114.5370 56.2853 28.9517 175.2561 28 F 4.2947 7.8717 119.5502 56.8402 39.7939 175.5968 29 D 4.6132 8.6384 123.9341 57.0282 41.4200 176.8753 30 L 4.8301 7.8468 119.1700 53.4344 46.0521 174.8102 31 V 4.6847 9.1475 125.8898 61.1582 34.2996 173.8447 32 L 5.0989 9.0464 128.6883 53.1682 44.0672 175.4387 33 L 5.1678 8.9702 124.5742 53.4991 43.5703 175.5171 34 E 5.1379 9.0518 125.0873 53.9267 31.1195 173.8681 35 P 5.1908 0.0000 0.0000 62.4202 32.3914 177.0025 36 S 4.7004 9.0786 118.8537 58.2056 64.9809 173.5517 37 I 4.3204 8.3474 122.0611 60.0020 37.6868 175.4634 *44 N 4.6376 8.5289 122.8955 52.9160 39.8954 173.9720 45 M 4.6070 8.0069 118.4821 53.6525 33.0076 175.5438 46 L 4.1732 8.4593 128.4472 54.5985 43.2089 176.1813 47 D 4.5085 8.7659 125.3287 54.7596 41.6850 176.9523 48 Y 4.1292 9.0140 123.9611 60.6240 38.7234 177.1449 49 P 4.1112 0.0000 0.0000 65.8547 31.2635 178.4499 50 I 3.6774 7.6184 119.1808 64.2347 37.0897 178.3511 51 R 3.8685 7.9184 118.9679 59.2838 29.7523 178.8293 52 C 3.8657 7.9478 116.8136 62.6137 28.1981 176.0470 53 K 3.8514 7.9085 121.0636 59.4678 31.6900 178.8108 54 L 3.9673 8.0498 119.3459 57.7980 41.4693 179.5877 55 V 3.4873 8.0771 118.5627 66.0816 31.4876 177.7343 56 D 4.3059 8.3271 118.5449 57.3898 40.5864 178.7252 57 A 4.0372 7.9828 121.0260 54.9016 18.2760 179.4268 58 F 4.2887 8.5027 119.3765 61.6129 39.5742 177.3151 59 I 3.4612 8.0661 119.6704 64.3271 36.6810 178.5838 60 K 3.9412 7.6274 117.3771 59.5180 31.9695 178.7223 61 D 4.5110 8.1378 118.2254 57.8802 39.9745 178.6778 62 M 4.1034 8.1823 119.2636 56.0303 31.5675 177.6214 63 G 3.7193 7.5702 105.1295 46.3267 0.0000 172.9239 64 L 4.5113 7.0530 117.5876 52.6757 42.5604 178.2036 65 S 4.1800 8.6799 118.9406 60.2995 63.6108 174.4800 66 N 4.6730 8.0850 117.5501 52.6752 37.6971 173.7988 67 V 4.7874 7.2275 119.7357 61.9295 32.8977 175.0371 68 Q 4.6767 9.0153 125.5308 54.0579 33.5083 174.1619 69 R 4.6246 8.5438 121.8025 56.1368 31.0198 175.4160 70 S 4.9777 9.0905 120.5880 56.0548 65.5402 173.0694 71 D 5.1714 8.3955 123.4037 52.7700 40.1850 177.9731 72 L 4.0693 8.0147 123.3559 58.5239 41.2079 178.8613 73 E 3.9227 8.3534 118.2343 59.3861 29.7472 178.5527 74 Q 3.8133 8.0977 118.7899 59.2785 28.8172 178.3141 75 A 4.0224 7.5856 120.2467 54.7816 18.5070 178.7835 76 L 4.4945 7.6103 117.1762 55.1731 42.0818 177.1544 *77 Y 3.6593 6.9783 117.8740 56.7845 36.5750 181.7426 *83 V 3.7730 8.1655 125.6006 61.7089 31.9213 175.7654 84 T 4.2744 7.9857 118.1466 61.1936 71.2310 175.3702 85 T 3.7103 8.4188 118.4311 66.9117 68.4723 175.9006 86 Y 4.1355 8.3089 120.5968 60.9516 38.8326 178.1265 87 A 3.9808 8.2794 121.4713 54.9316 18.3823 179.3751 88 L 3.8078 7.9891 118.8509 58.3449 42.1312 179.2480 89 L 3.4460 7.9686 119.2294 57.4342 41.3639 179.2728 90 E 4.0964 7.8411 118.5468 59.3549 29.3932 179.4140 91 K 3.9527 7.9728 119.5306 59.5380 32.2551 178.8942 92 I 3.8113 7.9325 120.3708 64.5735 37.0858 178.2344 93 Q 4.1387 8.5212 120.7046 59.0088 28.6324 177.9190 94 E 3.9596 7.8683 119.5909 59.4101 29.7916 178.6237 95 I 3.7871 7.6466 118.7078 62.9332 38.7344 176.1848 96 Y 4.8373 7.9532 116.9973 55.6791 37.5862 174.6558 97 P 4.9883 0.0000 0.0000 64.7545 32.1393 178.1943 98 T 4.3553 7.9152 106.4614 61.3505 69.4193 174.2355 99 A 4.6283 7.8575 124.4230 51.7085 20.3459 176.7459 100 D 4.8528 9.3273 120.6268 53.3541 42.8347 175.6869 101 I 5.0414 8.6440 124.4983 60.0490 39.7740 174.6586 102 T 4.9134 8.9867 123.4022 61.7434 71.6423 172.7358 103 F 5.1999 9.3267 129.1048 56.9502 41.1750 174.2993 104 V 4.5133 8.1119 127.0241 61.0373 32.9019 174.7148 105 I 4.6149 8.3788 120.7051 59.1515 41.6788 174.7727 106 G 4.3424 8.3289 109.9716 44.3160 0.0000 172.8236 107 P 4.3760 0.0000 0.0000 65.4341 30.8865 178.7625 108 D 4.3238 7.9072 116.6693 56.7445 39.8114 178.0659 109 N 4.7510 8.2474 117.6291 55.4106 38.7415 176.8991 110 F 4.4527 8.3518 122.5754 61.7110 39.3345 177.0103 111 F 4.5946 8.1575 114.3111 58.8423 38.9921 176.0961 112 K 4.6735 7.9304 117.6889 55.9765 32.8449 177.7765 113 F 4.0641 8.4563 123.5898 61.0288 39.4428 177.1055 114 A 3.9554 8.2128 122.3810 54.9111 18.1822 178.4354 115 K 4.2323 8.0566 113.9483 58.2524 32.4715 177.8215 116 F 4.1927 8.0363 118.0776 57.0618 39.2873 174.5009 117 Y 4.0289 8.6284 124.9709 59.0485 39.0915 176.2088 118 K 3.5105 8.2464 126.7919 56.6569 30.2811 177.1155 119 A 3.7499 7.9880 121.2483 55.4914 18.3395 179.3342 120 E 3.9777 8.0059 116.2896 59.6799 29.7020 179.2783 121 E 4.0218 8.0920 118.0964 59.2941 29.4472 179.0863 122 I 4.3222 8.2070 120.3263 65.0612 37.1452 178.5310 123 T 4.2480 7.8954 107.9549 64.4290 68.7257 176.0884 124 E 4.1199 7.9491 120.5311 58.3725 29.4955 177.6017 125 R 4.1057 7.2172 115.6805 56.0318 32.0970 175.9343 126 W 5.3638 8.1331 115.2214 54.8222 33.3799 175.7142 127 T 4.3030 8.4739 117.7504 63.6646 69.2680 173.8446 128 V 4.8620 8.3893 124.7307 61.2531 34.2920 174.1768 129 M 4.5683 8.8782 126.9285 53.5865 35.3013 173.5675 130 A 4.7516 8.1482 127.9347 50.4836 20.2425 175.6660 131 C 4.5191 8.3756 120.7004 58.2804 29.6830 172.5875 132 P 4.2875 0.0000 0.0000 62.5536 31.7929 175.8712 133 E 4.2933 8.6521 123.3234 56.0337 29.5434 176.8231 134 K 4.4163 8.5595 125.9832 55.3180 34.1215 174.1220 135 V 4.2489 6.8374 112.3650 63.5497 31.4095 177.1199 *139 S 4.3772 9.0306 115.1648 58.5624 64.8670 175.4723 140 T 3.8342 7.7187 116.0970 65.4474 66.9552 176.3782 141 D 4.2370 7.7099 122.8951 57.8824 39.7886 182.8314 142 I 3.7696 7.1892 120.0795 64.4752 37.3760 178.3062 143 R 3.4607 7.5056 118.7515 59.4262 29.3684 178.8598 144 N 4.3002 7.8930 115.2725 56.3109 38.5267 177.4027 145 A 4.0947 8.0506 122.1812 55.0394 17.9382 179.7352 146 L 4.0730 8.2425 117.9379 57.9314 41.4845 179.5184 147 I 3.8486 7.6707 117.3177 63.1195 38.0148 176.7153 148 E 4.5600 7.6636 116.2531 55.2456 29.9265 176.5727 149 G 3.9049 7.4773 106.1961 45.9288 0.0000 174.1631 150 K 4.3260 8.2118 118.8160 54.7692 33.0611 176.4643 151 D 4.3868 8.5601 120.9564 54.7424 41.5222 176.0655 152 I 4.4631 8.2084 117.9591 60.4600 38.4497 177.0988 153 S 4.1455 8.3421 116.6154 60.7509 62.7654 174.9236 154 T 4.3597 7.4311 109.3819 61.6814 69.2882 174.3320 155 Y 4.7993 7.9911 120.6001 59.1930 39.2862 174.8503 156 T 5.0106 7.4895 111.9090 59.7821 70.9706 173.0123 157 T 4.4404 8.3564 112.7088 60.4560 71.2666 173.6249 158 P 4.2844 0.0000 0.0000 66.3129 31.4339 179.1810 159 T 4.0259 8.6526 114.7756 66.1956 68.2835 177.2256 160 V 3.6203 7.9823 119.9420 66.0437 31.6508 177.7836 161 S 4.1188 8.2217 112.8034 61.4187 62.1354 175.8471 162 E 3.9806 8.1746 121.1944 59.6198 29.3904 179.5097 163 L 3.9952 8.0328 118.7884 57.6161 41.6990 179.4181 164 L 4.0446 8.2331 119.2715 57.9833 41.7356 179.7359 165 L 4.0502 8.0114 118.6936 57.9240 41.4284 179.3408 166 N 4.4392 8.3604 115.5337 55.3499 38.5318 176.0677 167 E 4.4840 7.9148 117.7259 54.7112 30.1542 175.5488 168 G 4.0010 7.9947 105.3956 46.7508 0.0000 173.8324 169 L 4.1470 7.5277 118.8831 56.0310 42.2798 176.7297 170 Y 4.1060 8.4190 126.1842 58.9771 37.1562 171.2352 171 R 4.1390 8.1263 117.3711 58.5770 30.3837 176.7017 172 E 4.6488 8.4253 114.8064 56.5727 32.0891 175.7971 173 T 4.6201 7.4423 111.0901 60.8608 70.3149 173.3922 174 L 4.4331 8.4738 124.5106 54.2838 43.8003 177.8753 175 S 4.5298 7.9172 110.6558 56.8483 64.5208 175.1664 176 G 3.8623 8.2863 108.5202 45.7812 0.0000 173.9176 177 K 4.1343 7.6443 124.3822 56.5611 32.0454 176.7706 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 M 8.30 4.52 0.00 2.05 1.21 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 2 K 9.33 4.22 0.00 1.89 1.81 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.50 7.81 3 K 9.49 5.07 0.00 1.64 1.70 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.79 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.30 1.34 7.81 4 I 8.80 5.10 1.77 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.71 0.66 0.00 0.00 5 A 8.70 4.87 0.23 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 0.00 0.00 0.00 6 I 8.69 4.86 2.04 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.05 1.02 0.00 0.00 7 F 9.57 5.18 0.00 2.92 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 8 G 8.59 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 0.00 0.00 0.00 9 S 7.80 4.25 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.47 4.10 1.24 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 0.00 0.00 11 F 7.10 3.65 0.00 3.16 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 12 N 7.72 5.22 0.00 2.82 2.71 0.00 0.00 7.20 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 13 P 0.00 5.47 0.00 2.25 2.25 0.00 3.29 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.91 0.00 14 P 0.00 4.13 0.00 1.05 0.75 0.00 3.55 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.80 0.00 15 S 8.36 4.93 0.00 4.12 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 L 8.95 4.39 0.00 1.80 1.86 1.01 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.11 3.58 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 0.00 18 H 8.20 4.55 0.00 3.78 4.02 0.00 5.83 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 19 K 8.62 4.07 0.00 2.12 2.17 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.58 1.40 7.81 20 S 8.05 4.28 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 21 V 7.46 3.55 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 0.17 0.00 0.00 0.84 0.00 0.00 22 I 7.81 3.62 1.89 0.00 0.00 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 1.72 1.04 0.88 0.00 0.00 23 E 8.30 4.16 0.00 2.08 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 2.56 2.29 0.00 24 S 7.64 4.49 0.00 4.05 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 25 L 7.57 4.96 0.00 1.83 1.67 0.65 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 26 S 8.31 4.26 0.00 3.99 4.02 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 0.00 0.00 0.00 27 H 8.40 4.46 0.00 3.11 3.33 0.00 5.52 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 28 F 7.87 4.29 0.00 3.20 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 D 8.64 4.61 0.00 2.72 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 30 L 7.85 4.83 0.00 1.68 1.36 0.96 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 31 V 9.15 4.68 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 0.99 0.00 0.00 0.88 0.00 0.00 32 L 9.05 5.10 0.00 1.60 1.60 0.91 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.97 5.17 0.00 1.48 1.47 0.86 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 34 E 9.05 5.14 0.00 1.99 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 2.32 2.48 0.00 35 P 0.00 5.19 0.00 2.04 2.14 0.00 3.84 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.05 0.00 36 S 9.08 4.70 0.00 3.90 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 37 I 8.35 4.32 1.75 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.45 0.78 0.00 0.00 *44 N 8.53 4.64 0.00 2.77 2.96 0.00 0.00 7.04 7.66 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 45 M 8.01 4.61 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.60 0.00 46 L 8.46 4.17 0.00 1.40 1.54 0.67 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.77 4.51 0.00 2.78 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 9.01 4.13 0.00 3.05 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 49 P 0.00 4.11 0.00 2.29 2.33 0.00 3.77 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 50 I 7.62 3.68 1.90 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 1.59 0.52 0.84 0.00 0.00 51 R 7.92 3.87 0.00 1.89 1.96 0.00 3.46 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 52 C 7.95 3.87 0.00 2.88 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 K 7.91 3.85 0.00 1.79 1.93 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.46 7.81 54 L 8.05 3.97 0.00 1.82 1.66 0.95 0.80 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 55 V 8.08 3.49 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 0.85 0.00 0.00 0.45 0.00 0.00 56 D 8.33 4.31 0.00 2.85 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 57 A 7.98 4.04 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 58 F 8.50 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0.00 0.00 0.00 2.37 2.24 0.00 75 A 7.59 4.02 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.61 4.49 0.00 1.76 1.69 0.90 0.72 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 *77 Y 6.98 3.66 0.00 2.34 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 0.00 0.00 0.00 0.00 *83 V 8.17 3.77 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 0.94 0.00 0.00 0.93 0.00 0.00 84 T 7.99 4.27 4.40 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 0.94 0.00 0.00 85 T 8.42 3.71 4.40 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 0.21 0.00 0.00 86 Y 8.31 4.14 0.00 3.25 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 A 8.28 3.98 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 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1.59 7.81 113 F 8.46 4.06 0.00 3.32 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 0.00 114 A 8.21 3.96 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 0.00 115 K 8.06 4.23 0.00 2.08 1.94 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.48 7.81 116 F 8.04 4.19 0.00 2.52 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 Y 8.63 4.03 0.00 2.83 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 K 8.25 3.51 0.00 1.12 1.29 0.00 1.00 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.73 0.21 7.81 119 A 7.99 3.75 0.98 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 0.00 0.00 120 E 8.01 3.98 0.00 1.98 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 2.41 2.38 0.00 121 E 8.09 4.02 0.00 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0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 141 D 7.71 4.24 0.00 2.73 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 I 7.19 3.77 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.16 0.90 0.00 0.00 143 R 7.51 3.46 0.00 1.62 1.70 0.00 2.89 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.45 0.00 144 N 7.89 4.30 0.00 2.86 2.82 0.00 0.00 6.96 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 A 8.05 4.09 1.53 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 0.00 0.00 146 L 8.24 4.07 0.00 1.89 1.82 1.14 0.99 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 0.00 147 I 7.67 3.85 1.91 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 1.54 0.77 0.97 0.00 0.00 148 E 7.66 4.56 0.00 2.07 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 2.27 2.45 0.00 149 G 7.48 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 K 8.21 4.33 0.00 1.77 1.79 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.82 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.40 7.81 151 D 8.56 4.39 0.00 2.58 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 0.00 152 I 8.21 4.46 2.04 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 1.52 1.10 1.11 0.00 0.00 153 S 8.34 4.15 0.00 3.99 4.02 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 0.00 0.00 0.00 154 T 7.43 4.36 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 1.08 0.00 0.00 155 Y 7.99 4.80 0.00 3.16 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 0.00 156 T 7.49 5.01 4.32 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 1.29 0.00 0.00 157 T 8.36 4.44 4.40 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 1.43 0.00 0.00 158 P 0.00 4.28 0.00 2.20 2.16 0.00 3.63 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 2.20 0.00 159 T 8.65 4.03 4.40 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 1.23 0.00 0.00 160 V 7.98 3.62 2.30 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 1.19 0.00 0.00 1.09 0.00 0.00 161 S 8.22 4.12 0.00 3.98 4.02 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 0.00 0.00 0.00 162 E 8.17 3.98 0.00 2.29 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 2.35 2.65 0.00 163 L 8.03 4.00 0.00 1.85 1.72 0.96 0.41 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 0.00 164 L 8.23 4.04 0.00 1.91 1.83 1.03 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 165 L 8.01 4.05 0.00 1.73 1.73 0.94 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 166 N 8.36 4.44 0.00 2.76 2.88 0.00 0.00 6.93 8.39 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 0.00 167 E 7.91 4.48 0.00 1.97 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 168 G 7.99 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 0.00 0.00 0.00 169 L 7.53 4.15 0.00 1.68 1.23 0.87 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 170 Y 8.42 4.11 0.00 3.19 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 0.00 171 R 8.13 4.14 0.00 1.98 2.00 0.00 3.38 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 172 E 8.43 4.65 0.00 2.04 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.21 0.00 173 T 7.44 4.62 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 1.19 0.00 0.00 174 L 8.47 4.43 0.00 1.66 1.70 0.95 0.65 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 0.00 175 S 7.92 4.53 0.00 4.03 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 G 8.29 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 0.00 0.00 0.00 177 K 7.64 4.13 0.00 1.71 1.72 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.55 7.81 * Residues marked with a * may have inaccurate shift predictions.