NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 37 E 4.7496 7.8674 116.1557 55.7544 31.5478 174.8579 38 G 4.3306 8.2240 111.2319 41.0000 0.0000 171.5333 39 L 3.9174 8.7980 126.7302 58.0595 43.3801 176.7612 40 E 4.1748 8.0695 117.9758 58.2014 30.3485 178.3146 41 Q 4.0393 8.1139 117.9382 59.2923 28.9279 177.8259 42 L 4.0259 7.7234 119.9560 58.0224 41.5008 179.2759 43 E 4.1095 8.0859 117.7047 59.3421 29.6385 178.6204 44 A 4.1721 7.4392 119.4656 55.1265 18.6270 178.8460 45 Q 4.4111 8.3475 113.3544 56.0010 29.0510 174.9229 46 T 4.5404 7.3424 109.5680 60.8698 72.0255 173.0282 47 N 4.5900 8.2224 116.7858 53.2049 38.3614 175.3748 48 F 5.3849 7.2708 117.4334 56.2747 40.9753 176.4683 49 T 4.5669 8.5555 114.4507 60.8270 71.1636 176.1214 50 K 3.8930 8.3902 121.6144 59.7645 31.9500 179.2156 51 R 3.8935 8.1296 118.2151 59.8088 29.7769 178.0651 52 E 3.9254 7.8345 116.4570 59.5090 29.5126 179.3554 53 L 4.0583 8.3289 119.2895 57.8566 41.6497 179.7333 54 Q 3.9966 8.2009 117.9514 58.9858 28.6431 178.7715 55 V 3.6050 7.5140 119.2418 66.0591 31.5254 177.9045 56 L 4.0718 8.1536 118.6835 58.1085 41.4626 178.8106 57 Y 3.8557 8.8000 119.6000 60.9425 38.4488 178.5269 58 R 3.8325 8.5575 118.1126 58.9990 30.3482 178.9077 59 G 3.7580 8.4454 106.0607 47.7884 0.0000 175.2289 60 F 3.6571 8.6169 124.0416 60.5302 39.2453 177.2495 61 K 3.8619 8.4242 118.9393 58.6021 31.5851 177.8261 62 N 4.3987 7.4110 115.0066 55.4762 39.1764 176.8086 63 E 4.0956 7.7530 118.9544 57.6288 29.6891 177.0414 64 C 4.4401 6.9277 113.4926 56.1444 32.1810 172.2580 65 P 4.3615 0.0000 0.0000 65.7465 31.4587 180.1546 66 S 3.7235 7.4040 111.6891 60.8315 63.6834 174.5631 67 G 4.2330 7.8128 105.9746 44.7192 0.0000 173.4358 68 V 4.4757 7.4802 112.0342 59.4963 34.3171 175.5313 69 V 4.1898 8.6152 126.7451 61.6763 32.6695 175.1928 70 N 5.4544 8.2959 126.5697 51.6194 39.7258 175.8233 71 E 4.1227 8.3564 118.0440 59.2580 29.4871 178.3005 72 D 4.3786 8.0270 119.0152 57.4819 40.9657 178.4161 73 T 3.8681 7.9690 109.8430 64.8187 68.3935 175.6886 74 F 4.1969 8.1995 124.9653 61.6816 39.6811 177.5444 75 K 4.3745 8.8633 123.6844 60.1072 31.2398 180.7753 76 Q 4.3922 8.3729 118.3932 58.3774 28.4011 178.1412 77 I 3.8363 8.2222 121.6526 63.5562 37.2651 176.6200 78 Y 4.2323 8.3564 116.3345 57.9046 38.2312 177.1626 79 A 4.0921 7.4789 121.8187 55.6526 18.7493 179.2000 80 Q 4.0132 8.7070 115.5434 61.0290 29.1749 179.5499 *81 F 3.4689 6.9053 114.7552 58.5552 38.2762 177.9327 82 F 5.1910 7.1051 118.3898 54.0860 43.2408 172.2606 83 P 4.2934 0.0000 0.0000 64.5417 30.5976 177.8673 84 H 4.7898 9.1019 112.8000 53.5238 28.0592 173.9536 85 G 4.2121 7.6384 110.3785 43.1397 0.0000 169.6313 86 D 4.7152 9.0042 117.8367 52.3502 42.4145 175.0857 87 A 4.7545 8.5928 127.9795 52.0812 19.1710 177.7614 88 S 4.1402 8.1166 115.9104 63.2084 62.2780 176.4555 89 T 4.0906 7.8922 111.7193 64.9480 68.6330 175.6571 90 Y 3.7833 8.0377 121.7248 60.1276 38.9085 177.2069 91 A 3.8413 8.3405 122.0390 55.7800 18.4898 179.1218 92 H 4.3676 8.0170 115.7376 59.7767 29.7414 177.1878 93 Y 3.7857 8.0360 117.0089 60.6845 38.1325 177.4430 94 L 3.8519 7.8310 121.6797 58.3763 42.0569 178.1322 95 F 3.7207 8.4328 120.9150 61.4349 38.8932 175.7929 96 N 4.7920 8.1268 114.1759 53.5515 37.5599 176.4746 97 A 3.9057 7.4423 124.9249 54.3176 19.4787 178.8934 98 F 4.7843 9.0413 122.5763 55.5454 37.4150 176.4180 99 D 4.5895 9.0414 125.8419 56.3015 38.2273 175.7986 100 T 3.9241 7.4677 117.2207 66.9738 68.6025 176.4682 101 T 3.9835 7.9792 116.9839 64.5847 68.8514 174.1221 102 Q 3.9118 7.8048 118.2821 57.0050 26.3596 173.6316 103 T 4.4838 8.1286 107.1280 61.8778 68.0672 174.0891 104 G 4.4792 8.9503 112.8782 44.6917 0.0000 174.1079 105 S 5.1200 7.6144 110.8929 56.4078 66.5998 173.7335 106 V 4.3916 8.4791 119.0985 60.5564 32.5757 176.8868 107 K 4.6425 8.6448 129.8068 54.3691 33.0656 174.2450 108 F 3.0924 9.0579 122.0505 62.0896 38.9410 177.2541 109 E 3.9224 8.4148 116.4015 59.6235 29.0588 178.7344 110 D 4.4207 7.9564 119.6095 57.2478 41.0634 178.3037 111 F 4.2419 8.2692 120.5166 61.7545 39.2341 177.4033 112 V 3.6520 7.8529 111.8699 64.1522 31.3685 178.6709 113 T 3.7347 7.9265 115.4428 66.5654 68.2726 175.9675 114 A 3.7832 8.1575 122.7924 55.6232 18.2680 179.8177 115 L 3.7312 7.5936 116.7796 57.7700 41.6188 179.6884 116 S 3.4232 8.4242 113.5245 61.0412 62.1674 176.4501 117 I 3.5525 7.9598 122.8216 64.4511 36.7271 178.4954 118 L 3.8589 7.5732 118.4501 57.0566 41.4372 178.7305 119 L 4.2513 7.9826 117.1936 55.1591 42.4415 177.5909 120 R 4.3062 7.6015 114.1578 56.0363 32.7142 175.6859 121 G 3.7406 7.5190 106.1016 45.0944 0.0000 173.3663 122 T 4.0008 8.0638 112.7276 61.3737 69.2654 174.6350 123 V 3.5496 8.3678 124.9853 66.5982 31.4270 177.4443 124 H 3.9237 8.3613 117.1881 59.6837 29.5265 176.5925 125 E 4.0998 8.2497 121.8219 60.0045 29.5233 180.0263 126 K 4.0892 8.4752 124.1463 59.7324 31.7271 181.0356 127 L 4.3551 8.6049 120.7852 57.7604 41.6229 179.5441 128 R 3.9715 8.7302 119.0203 59.1646 29.8239 178.2711 129 W 3.9254 8.4771 128.1787 60.8078 30.7409 178.1429 130 T 3.8677 8.1188 115.4173 66.4758 67.8222 176.3687 131 F 3.7388 8.4937 122.7004 61.4482 39.1748 177.0287 132 N 4.2281 7.9739 114.7628 55.8029 38.2616 176.9421 133 L 3.7140 6.7049 121.4856 58.1368 42.1931 178.2965 134 Y 4.5347 7.2655 115.7233 60.1745 39.0580 177.0803 135 D 4.4316 7.8371 120.9834 52.9750 38.6814 176.3474 136 I 3.4429 8.0046 124.8997 63.9583 37.5147 177.2391 137 N 4.5694 8.2000 113.9468 51.8580 37.2322 175.3906 138 K 3.8947 7.5408 114.8891 57.9346 29.2671 174.2738 139 D 4.6242 9.0153 113.7081 52.7047 41.5732 177.2668 140 G 4.2806 9.5073 107.4646 46.3544 0.0000 173.0033 141 Y 4.8553 8.6571 116.2570 55.9998 41.4754 174.8855 142 I 4.7695 8.8251 125.2486 59.6756 39.3451 174.5434 143 N 5.5228 9.2385 127.1158 51.4156 40.2426 176.5373 144 K 3.8817 8.6443 125.1550 60.3564 31.1255 179.5774 145 E 4.0788 8.0990 119.8335 59.2592 29.3235 179.0941 146 E 4.6540 8.4792 117.4615 57.3748 30.2656 177.9900 147 M 3.7822 7.9408 119.3458 58.5624 32.2590 177.6274 148 M 3.8993 7.9740 118.9586 58.4934 32.2853 178.1206 149 D 4.3572 7.5206 118.4887 57.6388 41.0856 179.1559 150 I 3.4706 7.3569 119.6514 64.3408 37.0868 178.6027 151 V 3.3986 7.7395 121.2966 66.5215 31.2723 178.6545 152 K 3.7662 8.0466 123.3907 59.9086 31.3231 180.6390 153 A 4.2856 8.1237 123.7147 54.1591 18.1519 179.8251 154 I 3.6437 7.8351 118.3874 64.3899 37.1988 177.7420 155 Y 4.0874 8.1548 116.8576 61.4081 37.9221 178.4478 156 D 4.5588 8.6833 122.2913 58.2256 40.4671 179.3239 157 M 4.3027 7.5988 124.5152 61.6093 31.5898 178.4476 158 M 4.9143 8.1848 126.7533 55.3904 34.2000 180.3188 159 G 3.8902 8.1593 102.5054 46.8051 0.0000 173.3741 160 A 4.1259 7.9005 135.0000 52.9973 18.6472 179.8153 *166 L 4.0881 7.6565 119.8154 53.0415 41.7605 177.5663 167 A 4.8005 7.5151 133.5836 52.8225 20.9430 177.2279 168 E 4.6984 8.3135 116.7722 57.1101 36.0068 174.8192 169 D 4.6431 8.2770 119.3655 53.9930 40.2541 182.6286 170 T 4.2338 8.5217 117.3229 59.5273 69.0367 169.1045 171 P 4.1901 0.0000 0.0000 67.0472 32.2428 179.5972 172 R 3.7389 8.2021 120.4843 59.4218 29.3663 181.6665 173 Q 4.3848 8.1001 111.6905 55.6215 27.6290 177.7626 174 H 4.7403 8.5787 120.7003 58.0904 32.2100 176.2959 175 V 3.7052 7.5247 118.4209 65.8986 31.1654 177.7248 176 D 4.4722 8.1398 118.2364 57.6396 40.5529 179.0181 177 V 3.6635 7.8164 110.9718 64.3244 31.7379 177.8220 178 F 4.3028 8.1519 120.4847 61.5999 39.2136 177.2307 179 F 3.9214 9.1630 119.9711 61.2366 38.6600 178.3102 180 Q 4.3749 8.6230 121.0272 59.3850 27.8585 179.2975 181 K 4.8704 7.4616 117.8758 54.9306 33.3697 181.6489 182 M 4.7399 7.7016 117.2334 56.8358 34.1819 175.2613 183 D 4.4639 7.9862 121.4477 53.3765 39.9569 176.2873 184 K 3.7198 8.5424 127.2763 59.3363 32.3006 177.7947 185 N 4.5524 8.1917 113.2189 52.9581 37.9065 174.8550 186 K 4.0482 7.5546 117.5655 57.9548 29.4093 176.2856 187 D 4.6064 8.4404 115.8331 52.8829 39.7737 176.7710 188 G 3.8747 8.8824 107.5200 46.0730 0.0000 173.2641 189 I 4.9571 8.2020 119.2799 58.9711 40.9900 174.7132 190 V 4.9387 9.1219 129.5807 59.6714 33.3373 175.7464 191 T 4.5931 8.4403 115.7838 59.9634 71.3117 175.6097 192 L 2.6003 8.1368 122.4193 58.1414 41.9014 178.5795 193 D 4.2412 7.7962 118.1780 57.1592 40.7135 178.2627 194 E 3.8868 7.7524 118.5649 59.2447 29.5385 178.7238 195 F 4.2693 8.6060 121.1666 61.1843 39.5695 176.9971 196 L 3.7830 8.5280 119.0689 57.9211 40.9470 179.3410 197 E 3.9326 8.2552 118.2887 59.4568 29.4732 179.5671 198 S 4.0488 7.8375 112.8418 61.4052 62.4102 175.8853 199 C 4.0944 7.6066 119.4533 62.3654 27.7242 175.9873 200 Q 3.9974 7.6339 118.6419 58.9138 28.3127 178.3945 201 E 4.3081 7.6455 117.7422 57.7085 29.8666 176.5101 202 D 4.4797 7.9310 121.6964 53.7169 40.2712 176.8190 203 D 4.6220 8.7561 125.1926 54.9097 39.8814 174.5963 204 N 4.9304 8.8504 118.0784 54.5089 40.9654 181.4710 205 I 4.2591 8.7513 119.1439 63.4136 35.7816 179.1831 206 M 4.4774 7.8215 117.6028 58.1379 32.0585 177.4773 207 R 4.1416 7.7655 118.4261 58.9232 30.3019 177.9749 208 S 4.4132 8.6530 115.5681 61.6348 62.5957 176.4240 209 L 4.4341 7.3666 118.5262 56.6695 41.9950 178.5276 210 Q 4.2678 8.1485 118.8714 58.7726 29.3381 177.9562 211 L 4.2160 7.1753 123.1015 58.8751 41.0076 179.8565 212 F 5.0038 7.7177 112.4903 56.6986 39.2247 175.5106 213 Q 4.3675 7.6923 120.5223 53.6750 28.0034 179.8378 214 N 5.0549 8.5633 124.0912 51.3364 42.1311 175.1392 215 V 3.8486 8.4131 120.6735 61.0835 31.7918 174.0540 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 37 E 7.87 4.75 0.00 2.01 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.85 0.00 38 G 8.22 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.80 3.92 0.00 1.65 1.63 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.07 4.17 0.00 2.04 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 2.38 2.34 0.00 41 Q 8.11 4.04 0.00 2.39 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.60 0.00 0.00 0.00 0.00 0.00 2.46 2.52 0.00 42 L 7.72 4.03 0.00 1.90 1.88 1.21 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 43 E 8.09 4.11 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 44 A 7.44 4.17 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.35 4.41 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.62 0.00 0.00 0.00 0.00 0.00 2.46 2.37 0.00 46 T 7.34 4.54 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 1.23 0.00 0.00 47 N 8.22 4.59 0.00 2.24 2.66 0.00 0.00 6.95 7.44 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 48 F 7.27 5.38 0.00 3.06 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.56 4.57 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 1.26 0.00 0.00 50 K 8.39 3.89 0.00 1.79 1.94 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.49 1.71 7.81 51 R 8.13 3.89 0.00 1.89 1.97 0.00 3.19 0.00 0.00 3.35 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.76 0.00 52 E 7.83 3.93 0.00 2.31 1.76 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 2.31 2.38 0.00 53 L 8.33 4.06 0.00 2.00 1.87 1.11 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 8.20 4.00 0.00 2.35 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.60 0.00 55 V 7.51 3.60 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 1.18 0.00 0.00 0.97 0.00 0.00 56 L 8.15 4.07 0.00 2.02 1.96 0.16 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 57 Y 8.80 3.86 0.00 2.83 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 R 8.56 3.83 0.00 1.94 1.99 0.00 3.24 0.00 0.00 3.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.89 0.00 59 G 8.45 3.76 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 0.00 0.00 0.00 60 F 8.62 3.66 0.00 2.83 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 K 8.42 3.86 0.00 1.48 1.61 0.00 1.67 0.00 0.00 1.55 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.09 1.66 7.81 62 N 7.41 4.40 0.00 2.86 2.75 0.00 0.00 7.00 8.63 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 63 E 7.75 4.10 0.00 1.54 1.72 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 2.29 2.13 0.00 64 C 6.93 4.44 0.00 2.86 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.36 0.00 2.15 2.08 0.00 3.80 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.94 0.00 66 S 7.40 3.72 0.00 3.80 3.77 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 67 G 7.81 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 0.00 0.00 0.00 0.00 68 V 7.48 4.48 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 0.81 0.00 0.00 0.98 0.00 0.00 69 V 8.62 4.19 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 0.76 0.00 0.00 0.72 0.00 0.00 70 N 8.30 5.45 0.00 2.89 3.03 0.00 0.00 6.26 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 71 E 8.36 4.12 0.00 1.30 1.77 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 2.37 2.32 0.00 72 D 8.03 4.38 0.00 2.82 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 73 T 7.97 3.87 4.16 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 1.22 0.00 0.00 74 F 8.20 4.20 0.00 3.56 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 75 K 8.86 4.37 0.00 1.75 1.80 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.38 1.32 7.81 76 Q 8.37 4.39 0.00 2.32 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.79 0.00 0.00 0.00 0.00 0.00 2.63 2.65 0.00 77 I 8.22 3.84 2.05 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.62 0.68 0.00 0.00 78 Y 8.36 4.23 0.00 3.37 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 79 A 7.48 4.09 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 80 Q 8.71 4.01 0.00 1.90 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.62 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 *81 F 6.91 3.47 0.00 2.29 2.14 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 82 F 7.11 5.19 0.00 3.12 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 83 P 0.00 4.29 0.00 2.23 1.98 0.00 3.94 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 2.11 2.03 0.00 84 H 9.10 4.79 0.00 3.30 3.36 0.00 5.47 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 7.64 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 86 D 9.00 4.72 0.00 2.66 2.55 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 0.00 87 A 8.59 4.75 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 8.12 4.14 0.00 3.96 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 89 T 7.89 4.09 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 1.23 0.00 0.00 90 Y 8.04 3.78 0.00 3.18 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 T 7.47 3.92 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 1.21 0.00 0.00 101 T 7.98 3.98 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 0.00 102 Q 7.80 3.91 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.40 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 103 T 8.13 4.48 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 1.33 0.00 0.00 104 G 8.95 4.48 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 0.00 0.00 0.00 105 S 7.61 5.12 0.00 3.99 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 0.00 106 V 8.48 4.39 1.89 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 0.24 0.00 0.00 0.99 0.00 0.00 107 K 8.64 4.64 0.00 1.41 1.68 0.00 1.84 0.00 0.00 1.57 0.00 0.00 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0.00 7.03 7.15 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 0.00 133 L 6.70 3.71 0.00 0.88 1.45 0.73 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 134 Y 7.27 4.53 0.00 2.68 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 D 7.84 4.43 0.00 2.14 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 I 8.00 3.44 1.73 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.85 0.43 0.00 0.00 137 N 8.20 4.57 0.00 2.77 2.83 0.00 0.00 6.23 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 0.00 138 K 7.54 3.89 0.00 1.77 1.80 0.00 1.47 0.00 0.00 1.66 0.00 0.00 3.28 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.34 1.31 7.81 139 D 9.02 4.62 0.00 2.63 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 0.00 140 G 9.51 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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7.60 4.30 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.29 0.00 158 M 8.18 4.91 0.00 2.06 1.80 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.42 0.00 159 G 8.16 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 0.00 160 A 7.90 4.13 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 *166 L 7.66 4.09 0.00 1.70 1.55 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 167 A 7.52 4.80 1.12 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 0.00 0.00 168 E 8.31 4.70 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 2.12 1.85 0.00 169 D 8.28 4.64 0.00 2.69 2.50 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 0.00 170 T 8.52 4.23 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 0.00 171 P 0.00 4.19 0.00 2.11 2.25 0.00 3.69 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.96 0.00 172 R 8.20 3.74 0.00 1.76 1.98 0.00 3.25 0.00 0.00 3.37 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.20 0.00 173 Q 8.10 4.38 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 174 H 8.58 4.74 0.00 3.42 3.17 0.00 5.75 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 0.00 175 V 7.52 3.71 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 1.24 0.00 0.00 0.88 0.00 0.00 176 D 8.14 4.47 0.00 2.77 2.75 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 0.00 177 V 7.82 3.66 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 0.77 0.00 0.00 1.03 0.00 0.00 178 F 8.15 4.30 0.00 3.07 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 0.00 179 F 9.16 3.92 0.00 3.35 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 0.00 180 Q 8.62 4.37 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 7.25 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 181 K 7.46 4.87 0.00 1.68 1.63 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.27 1.20 7.81 182 M 7.70 4.74 0.00 1.13 1.35 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 183 D 7.99 4.46 0.00 2.97 2.90 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 0.00 184 K 8.54 3.72 0.00 1.85 1.82 0.00 1.83 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.36 7.81 185 N 8.19 4.55 0.00 2.88 2.92 0.00 0.00 6.13 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 0.00 186 K 7.55 4.05 0.00 1.79 2.06 0.00 1.71 0.00 0.00 1.77 0.00 0.00 3.19 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.36 1.44 7.81 187 D 8.44 4.61 0.00 2.82 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 0.00 188 G 8.88 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 I 8.20 4.96 2.03 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 1.47 1.59 1.19 0.00 0.00 190 V 9.12 4.94 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 1.01 0.00 0.00 0.89 0.00 0.00 191 T 8.44 4.59 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 0.70 0.00 0.00 192 L 8.14 2.60 0.00 0.74 1.29 0.28 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 193 D 7.80 4.24 0.00 2.67 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 E 7.75 3.89 0.00 2.04 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 0.00 2.50 2.28 0.00 195 F 8.61 4.27 0.00 3.23 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 0.00 196 L 8.53 3.78 0.00 1.72 1.56 0.70 0.92 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 0.00 197 E 8.26 3.93 0.00 2.18 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 2.29 2.27 0.00 198 S 7.84 4.05 0.00 4.14 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 C 7.61 4.09 0.00 2.64 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 0.00 200 Q 7.63 4.00 0.00 2.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.01 0.00 0.00 0.00 0.00 0.00 2.52 2.48 0.00 201 E 7.65 4.31 0.00 2.09 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 2.31 2.56 0.00 202 D 7.93 4.48 0.00 2.66 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 0.00 203 D 8.76 4.62 0.00 2.74 2.55 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 0.00 204 N 8.85 4.93 0.00 2.59 2.76 0.00 0.00 7.14 7.09 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 0.00 205 I 8.75 4.26 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 2.15 0.91 0.00 0.00 206 M 7.82 4.48 0.00 2.11 2.20 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.63 0.00 207 R 7.77 4.14 0.00 1.99 1.99 0.00 3.33 0.00 0.00 3.36 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.82 0.00 208 S 8.65 4.41 0.00 3.91 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 0.00 209 L 7.37 4.43 0.00 1.90 1.78 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 210 Q 8.15 4.27 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.92 0.00 0.00 0.00 0.00 0.00 2.32 2.56 0.00 211 L 7.18 4.22 0.00 1.93 1.63 0.92 0.77 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 0.00 212 F 7.72 5.00 0.00 3.08 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 0.00 213 Q 7.69 4.37 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.73 0.00 0.00 0.00 0.00 0.00 2.22 1.90 0.00 214 N 8.56 5.05 0.00 2.62 2.69 0.00 0.00 7.14 7.71 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 0.00 215 V 8.41 3.85 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 0.76 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.