NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4884 8.1633 120.3265 55.5585 34.6170 177.5435 2 S 3.9005 8.0829 114.6739 61.1530 63.0088 174.9690 3 A 4.0233 8.7514 124.2504 55.0891 18.5977 179.1749 4 Q 3.9095 8.0623 115.8525 59.2639 28.8831 178.9119 5 A 4.0308 8.2857 121.5104 54.7748 18.2912 179.6386 6 A 3.9053 7.9606 119.5296 55.2593 18.5010 179.9265 7 K 3.8676 7.8703 116.6829 59.6737 32.0933 179.5299 8 V 3.5582 7.7829 118.3883 66.2966 31.3206 178.0515 9 S 4.0778 8.2969 112.7166 61.0996 62.2144 176.1547 10 K 3.9103 8.1781 121.2843 59.3470 31.6384 178.9356 11 K 3.8228 8.3356 118.5872 59.8298 32.1545 178.1243 12 E 4.2082 8.2871 117.2093 59.1264 29.9065 177.4729 13 L 4.2381 8.4146 118.7110 54.5549 41.6358 178.6829 14 N 4.0499 7.8083 121.3099 57.2687 40.1972 176.3265 15 S 4.2667 7.9495 113.0383 61.5071 63.0430 174.5813 16 N 4.6408 8.1067 116.4638 52.0469 39.8847 175.1206 *20 A 4.3945 8.4219 123.7796 52.4916 20.9060 178.5598 21 D 4.3375 8.2144 115.1168 57.7350 40.8603 178.5829 22 E 3.9852 8.2099 117.5469 58.3912 30.0947 177.3051 23 T 4.4679 7.6106 106.4656 62.9425 71.3372 176.1704 24 S 4.0810 8.4300 116.4340 61.0420 62.3716 175.7441 25 E 3.9379 8.2925 122.0674 59.2957 29.4374 178.9543 26 K 3.9893 7.9947 118.0884 59.1654 32.0251 178.8301 27 E 3.8385 8.0736 119.5594 59.2564 29.6568 178.1816 28 Q 3.9417 8.0770 119.6225 59.8710 28.9291 179.3228 29 Q 4.0450 8.2937 118.4814 58.7066 28.6873 178.4650 30 E 3.9611 8.2078 119.4751 58.7478 29.6865 178.6824 31 A 4.0696 8.3176 121.3020 55.3541 18.3873 179.7607 32 I 3.6607 7.7480 118.1805 64.4442 37.2819 178.2828 33 E 3.8979 7.8963 120.1906 59.6845 29.5989 178.6085 34 H 4.4837 8.2226 116.2190 58.9434 28.7194 177.9227 35 I 3.7458 8.3518 122.1223 64.3290 36.9817 177.7857 36 D 4.3603 8.2943 118.9906 57.3908 40.7735 178.2091 37 E 3.9319 8.0584 118.4433 59.4543 29.5408 179.4674 38 V 3.6565 7.6514 117.6841 66.2690 31.6254 177.7039 39 Q 4.0180 8.6381 117.9904 59.5152 28.5517 179.2468 40 N 4.4420 8.1751 116.9749 56.3626 38.4366 177.3569 41 E 4.0233 7.8395 118.7063 59.2913 29.4517 179.4331 42 I 3.7326 7.7668 119.9656 64.4395 37.1990 178.2232 43 D 4.3299 8.6923 120.0834 57.4005 40.6567 178.7763 44 R 3.9292 8.0245 119.2046 59.3744 29.9239 178.6585 45 L 3.9920 7.8025 118.5650 57.7470 41.6424 178.8640 46 N 4.2837 8.3523 116.6947 56.5944 38.4878 177.0588 47 E 3.9546 8.3062 120.4029 59.2263 29.6679 178.9343 48 Q 3.9485 8.1753 118.0152 58.7395 28.7791 178.0408 49 A 3.9786 8.2299 122.1613 55.5559 18.3037 179.4672 50 S 4.0691 8.1506 113.1640 61.9555 62.9992 176.5279 51 E 3.9213 8.2893 121.5059 59.6099 29.4550 178.7977 52 E 3.9708 8.5671 118.6301 59.5508 29.5031 179.4036 53 I 3.7509 8.4207 120.0552 64.5368 37.1764 178.5535 54 L 4.0391 8.2503 119.9000 57.6657 41.3200 179.7845 55 K 4.0482 8.1630 118.7183 59.1816 31.9075 179.6034 56 V 3.6887 7.7822 118.3099 65.9842 31.4320 177.5975 57 E 4.0012 8.4126 119.1745 59.4226 29.4998 178.6443 58 Q 3.9373 8.1301 119.4917 58.9608 29.2837 177.8664 59 K 3.7525 8.1861 120.7652 59.9768 32.2568 178.3072 60 Y 4.1273 8.2353 116.5206 60.4749 37.8113 177.8534 61 N 4.4418 8.5669 118.1953 56.2624 38.4395 177.5196 62 K 4.0331 7.8124 118.6797 59.4905 32.2095 179.1498 63 L 4.2234 7.6808 118.0076 57.8331 41.8243 179.3990 64 R 4.5111 8.2767 118.0681 58.7816 30.1209 178.3718 65 Q 4.1124 8.3502 119.7424 59.2647 28.9150 177.3458 66 P 4.4749 0.0000 0.0000 65.4907 31.2163 178.7083 67 F 4.1680 8.0845 116.3634 60.5230 38.9100 177.5974 68 F 3.9998 8.6522 117.5417 60.4447 38.6950 177.5761 69 Q 4.1040 8.7211 118.2457 59.1043 28.5481 179.1085 70 K 3.9069 8.3090 120.6233 59.4434 32.1321 178.7529 71 R 3.7246 8.3504 119.4096 59.3575 29.8255 178.6131 72 S 4.1570 8.2051 114.9212 61.7938 62.6789 176.5326 73 E 3.9517 7.8900 119.7410 59.3885 29.4761 179.2146 74 L 4.0434 8.0046 118.9996 57.7821 41.6224 179.4354 75 I 3.0973 7.6722 119.6362 64.1658 36.8044 178.0100 76 A 4.2359 7.4927 119.4440 54.0283 18.2985 177.9706 77 K 4.2150 7.7657 114.9819 56.0778 32.8827 176.3984 78 I 4.2990 7.7233 122.1493 58.4476 37.4345 173.3589 79 P 4.3739 0.0000 0.0000 63.9842 31.9271 176.2522 80 N 4.4975 9.1049 116.9182 54.4208 36.0800 175.7672 81 F 3.7502 7.9246 120.4644 61.4560 39.1931 177.4202 82 W 3.9907 8.2156 117.8025 59.4594 28.9014 178.4439 83 V 3.7755 8.0278 117.7895 66.5422 30.8877 177.8453 84 T 3.8362 7.8411 115.1290 67.0455 68.0971 176.5385 85 T 3.7806 7.5917 116.0902 66.6829 68.6892 176.3833 86 F 4.7686 8.1483 119.7535 60.8098 38.7780 177.9234 87 V 3.6686 8.4443 116.9839 66.0652 31.4177 177.2726 88 N 4.6701 8.3756 114.3935 53.7693 38.8739 174.5267 89 H 4.3343 8.0282 122.6437 54.3245 30.4901 173.4973 90 P 4.2433 0.0000 0.0000 66.2770 30.8287 177.6960 91 Q 4.1183 8.2101 117.5432 58.5300 29.2600 178.5141 92 V 3.3608 7.9118 116.7958 65.6975 31.5190 177.5382 93 S 4.0840 8.7212 113.2524 61.6478 61.9852 175.9430 94 A 4.0338 7.2626 121.4171 55.0555 18.0498 178.7379 95 L 4.5827 7.8157 115.0165 54.4678 42.4701 176.8631 96 L 4.4785 7.6607 119.5232 52.5894 41.2189 176.6567 97 G 3.9041 8.5296 112.9765 45.1082 0.0000 172.4951 98 E 4.0245 8.9442 119.6794 59.6347 29.3600 179.8439 99 E 4.1239 8.1807 118.0228 59.3269 29.7141 178.7397 100 D 4.6924 8.2636 119.0490 57.4057 40.8459 178.5733 101 E 4.0767 8.2671 118.6551 59.4798 29.3077 178.9299 102 E 4.1020 7.7912 116.4641 59.6067 29.8549 179.1026 103 A 4.3750 7.9705 120.4287 55.5177 18.6261 179.4727 104 M 4.5368 8.9080 117.0195 58.1597 31.7669 178.1832 105 H 4.3783 8.1444 117.6548 58.6427 30.3175 175.6438 106 Y 4.7120 8.5324 117.1829 56.8998 37.8463 174.6176 107 L 4.2843 7.6842 123.3661 55.0108 41.7901 176.1165 108 T 4.5377 8.6039 117.5419 62.9055 70.4778 175.3383 109 R 4.7267 7.8546 122.0235 55.3441 33.5130 173.4639 110 V 4.5517 8.2802 126.1648 60.9040 34.0764 174.2482 111 E 4.2580 8.7204 127.4793 54.4092 32.7748 173.9316 112 V 4.3192 5.8763 126.8893 61.2806 33.1452 174.7918 113 T 4.4363 8.5369 124.3263 61.6004 71.8320 172.7128 114 E 4.5443 8.4063 124.9024 54.5304 32.1877 176.0303 115 F 4.9123 8.8454 121.2893 57.8411 40.1053 178.4155 116 E 3.8709 7.8531 121.2582 59.2696 29.7550 177.3872 117 D 4.4439 8.0023 119.2379 55.5788 41.5274 176.6129 118 I 3.2192 8.4844 122.4143 61.4101 34.1954 172.8550 119 K 4.0317 7.8563 119.3335 56.5826 32.6831 176.4422 120 S 4.7313 8.3420 121.7025 58.0960 65.8197 175.7490 121 G 3.9188 8.2422 114.2559 46.7303 0.0000 175.7848 122 Y 4.8857 8.6777 124.1653 55.7082 41.8528 172.2659 123 R 5.1498 9.3307 119.3569 54.8141 34.2550 173.4497 124 I 4.8330 9.0653 126.5745 59.6735 40.1931 174.0226 125 D 5.3447 9.0881 127.3821 52.5062 43.6353 175.4730 126 F 5.0938 9.4750 122.4256 56.0853 41.3732 174.0100 127 Y 4.9336 9.3765 123.4691 57.0592 39.2348 174.8522 128 F 5.4625 9.4099 123.8322 55.5486 41.3221 175.5422 129 D 4.7536 9.5666 124.0003 53.7022 41.8148 175.9033 130 E 3.8296 8.8331 120.4012 57.0784 29.7887 176.1680 131 N 4.2493 8.0176 121.5518 50.2669 40.0858 172.9474 132 P 4.0609 0.0000 0.0000 65.0945 31.9654 177.4778 133 Y 4.3805 8.0150 116.7839 59.4875 38.3120 175.3123 134 F 5.2669 6.7425 110.5870 55.2268 41.0863 173.8915 135 E 4.2303 8.6130 119.9776 58.0532 29.7659 177.5479 136 N 4.4494 8.0822 116.6007 53.2289 39.1302 175.2375 137 K 4.5514 8.7432 122.4440 58.7852 33.6089 177.0358 138 V 4.8446 7.5921 118.9301 61.1540 34.6257 174.1903 139 L 4.4501 9.2814 128.3855 53.1664 43.5851 175.7038 140 S 5.4853 9.4036 120.1516 56.6220 66.9362 173.1462 141 K 4.7064 9.0605 123.1426 54.7363 35.4561 174.8400 142 E 4.9970 8.9546 126.1819 54.6051 33.2326 175.2081 143 F 4.7195 8.6521 120.0681 56.8406 42.2775 174.6727 144 H 4.3088 9.0067 121.1217 57.6675 29.9068 175.7098 *152 S 4.2671 7.7769 111.3222 58.6023 63.9710 171.8606 153 S 4.7943 7.9758 114.8860 57.1973 65.0890 173.8262 154 K 4.6301 8.4248 125.2342 54.7806 36.1931 175.1356 155 S 4.9037 8.0897 115.9469 56.7742 66.3204 173.0665 156 T 4.1311 8.4611 121.7561 63.4711 68.9937 174.2547 157 E 4.0792 8.4671 125.4794 55.5438 29.9583 176.4508 158 I 3.5149 7.9223 125.6872 60.8499 37.8035 176.8981 159 K 4.3265 8.4238 126.7753 54.2195 30.9572 175.3330 160 W 4.8323 8.0867 122.5439 56.8276 30.1052 175.9793 161 K 4.3388 9.6336 123.6392 55.7634 33.1588 176.7203 162 S 4.0891 8.6927 117.8213 60.3332 62.9458 175.6250 163 G 3.9288 8.8186 112.1461 45.9465 0.0000 173.9442 164 K 4.2501 8.0252 118.0963 56.8048 33.0135 176.3141 165 D 3.3700 7.8641 117.1745 54.5001 40.9883 176.2292 166 M 3.8442 5.8600 125.6409 56.9409 32.6655 176.3754 167 T 4.0807 7.1977 115.6432 62.4415 68.2906 173.9028 *189 F 4.6370 8.5022 129.3427 58.1621 41.0341 176.5527 190 F 4.7731 8.3900 116.7718 59.1081 39.2577 177.2195 191 T 4.0138 8.1117 118.2596 66.1179 68.4979 175.9362 192 W 4.1039 7.7787 130.7459 60.0991 30.5202 176.2853 193 F 4.6950 7.6947 114.6065 56.9468 38.4673 176.3625 194 T 4.1719 8.1826 119.4768 65.3539 69.3699 176.5105 *200 G 3.9336 7.8602 108.5857 45.4073 0.0000 173.9476 201 A 4.5447 7.9546 119.7487 53.4880 18.2546 178.7304 202 D 4.4176 8.1594 118.5175 57.7461 40.9594 177.6614 203 E 3.8884 8.1339 118.0969 60.0543 29.4000 179.1998 204 L 3.8782 7.8974 119.2109 58.1305 42.2611 179.3524 205 G 3.6481 8.0938 105.7842 48.0022 0.0000 175.2623 206 E 3.8161 8.6648 122.2102 58.6070 29.5728 178.9778 207 V 3.5476 7.8990 118.4381 66.0617 31.5443 177.9966 208 I 3.8348 7.8416 119.5242 64.3377 36.7800 178.4064 209 K 3.8592 7.9485 118.8657 59.3948 32.1097 177.7780 210 D 4.6952 8.1540 116.9270 55.3357 41.7043 177.3439 211 D 4.7661 8.0928 117.0939 56.4746 42.1249 178.2247 212 I 4.2529 7.6502 119.4673 64.1470 37.2568 177.9347 213 W 4.6697 8.6130 128.7336 60.2259 30.6949 175.2453 214 P 4.6466 0.0000 0.0000 65.6301 30.8442 176.2260 215 N 4.7726 7.7643 116.2514 51.0973 39.9456 172.2941 216 P 4.6928 0.0000 0.0000 64.6427 31.9202 178.0177 217 L 3.9914 7.9700 120.5141 57.9010 41.8101 178.4911 218 Q 3.8559 7.9712 117.0228 58.9455 28.5751 177.7720 219 Y 4.2632 7.4204 117.9737 60.3784 38.2279 176.7078 220 Y 3.8011 7.8086 119.5591 60.8762 38.8558 178.1941 221 L 3.9391 7.8094 118.0696 56.3695 41.8360 177.2283 222 V 3.8854 7.0991 121.9476 62.8162 31.7370 174.7717 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 8.16 4.49 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.57 0.00 2 S 8.08 3.90 0.00 3.94 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 3 A 8.75 4.02 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 4 Q 8.06 3.91 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 5 A 8.29 4.03 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 A 7.96 3.91 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 7 K 7.87 3.87 0.00 1.99 1.87 0.00 1.83 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.45 7.81 8 V 7.78 3.56 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.95 0.00 0.00 9 S 8.30 4.08 0.00 4.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.18 3.91 0.00 2.00 1.84 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.56 7.81 11 K 8.34 3.82 0.00 1.70 2.10 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.50 7.81 12 E 8.29 4.21 0.00 1.96 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 2.51 2.48 0.00 13 L 8.41 4.24 0.00 1.88 1.52 0.92 0.38 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 14 N 7.81 4.05 0.00 2.72 2.89 0.00 0.00 6.94 7.63 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 15 S 7.95 4.27 0.00 4.07 3.93 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 16 N 8.11 4.64 0.00 2.83 2.73 0.00 0.00 7.07 7.01 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 *20 A 8.42 4.39 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 21 D 8.21 4.34 0.00 2.79 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 22 E 8.21 3.99 0.00 1.92 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 2.30 2.34 0.00 23 T 7.61 4.47 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 24 S 8.43 4.08 0.00 3.91 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 25 E 8.29 3.94 0.00 2.13 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 2.30 2.39 0.00 26 K 7.99 3.99 0.00 1.88 1.84 0.00 1.62 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.53 1.55 7.81 27 E 8.07 3.84 0.00 2.28 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 28 Q 8.08 3.94 0.00 2.39 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 29 Q 8.29 4.05 0.00 2.36 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 30 E 8.21 3.96 0.00 2.26 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 2.27 2.37 0.00 31 A 8.32 4.07 1.41 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 32 I 7.75 3.66 2.02 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 1.41 0.67 0.91 0.00 0.00 33 E 7.90 3.90 0.00 1.93 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 2.24 2.32 0.00 34 H 8.22 4.48 0.00 3.43 3.30 0.00 5.69 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 8.35 3.75 2.03 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 1.42 0.77 0.92 0.00 0.00 36 D 8.29 4.36 0.00 2.79 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.06 3.93 0.00 2.28 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 2.59 0.00 38 V 7.65 3.66 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 1.04 0.00 0.00 0.98 0.00 0.00 39 Q 8.64 4.02 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.57 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 40 N 8.18 4.44 0.00 3.00 2.87 0.00 0.00 7.03 7.64 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 41 E 7.84 4.02 0.00 2.11 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 2.52 2.50 0.00 42 I 7.77 3.73 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 1.53 0.64 0.92 0.00 0.00 43 D 8.69 4.33 0.00 2.64 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 44 R 8.02 3.93 0.00 1.97 2.07 0.00 3.10 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 45 L 7.80 3.99 0.00 1.87 1.70 0.93 1.12 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 46 N 8.35 4.28 0.00 2.89 2.89 0.00 0.00 6.70 8.26 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 47 E 8.31 3.95 0.00 2.06 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 0.00 2.31 2.36 0.00 48 Q 8.18 3.95 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.51 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 49 A 8.23 3.98 1.41 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 50 S 8.15 4.07 0.00 4.05 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 51 E 8.29 3.92 0.00 2.14 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 0.00 2.33 2.39 0.00 52 E 8.57 3.97 0.00 2.18 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 2.35 2.53 0.00 53 I 8.42 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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 62 K 7.81 4.03 0.00 1.83 1.87 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.49 1.49 7.81 63 L 7.68 4.22 0.00 1.89 1.88 0.68 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 64 R 8.28 4.51 0.00 2.19 2.43 0.00 3.50 0.00 0.00 3.29 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.99 0.00 65 Q 8.35 4.11 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.79 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 66 P 0.00 4.47 0.00 1.79 1.93 0.00 3.77 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.09 0.00 67 F 8.08 4.17 0.00 3.20 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 68 F 8.65 4.00 0.00 3.35 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 69 Q 8.72 4.10 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.47 2.62 0.00 70 K 8.31 3.91 0.00 1.84 1.96 0.00 1.49 0.00 0.00 1.53 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.46 7.81 71 R 8.35 3.72 0.00 1.83 1.87 0.00 2.80 0.00 0.00 2.68 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.40 0.00 72 S 8.21 4.16 0.00 4.15 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 73 E 7.89 3.95 0.00 2.05 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 2.33 2.51 0.00 74 L 8.00 4.04 0.00 1.66 1.56 0.87 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 75 I 7.67 3.10 1.66 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 0.31 0.42 0.00 0.00 76 A 7.49 4.24 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 77 K 7.77 4.21 0.00 1.85 1.83 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.35 7.81 78 I 7.72 4.30 1.90 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.32 0.98 0.00 0.00 79 P 0.00 4.37 0.00 2.23 2.09 0.00 3.89 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 80 N 9.10 4.50 0.00 3.09 3.10 0.00 0.00 6.74 8.13 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 81 F 7.92 3.75 0.00 2.90 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 82 W 8.22 3.99 0.00 3.50 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 83 V 8.03 3.78 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 1.21 0.00 0.00 1.18 0.00 0.00 84 T 7.84 3.84 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 85 T 7.59 3.78 3.94 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 1.19 0.00 0.00 86 F 8.15 4.77 0.00 3.26 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 87 V 8.44 3.67 2.18 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 0.85 0.00 0.00 1.01 0.00 0.00 88 N 8.38 4.67 0.00 2.87 2.93 0.00 0.00 6.99 8.52 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 89 H 8.03 4.33 0.00 3.16 3.26 0.00 5.61 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 P 0.00 4.24 0.00 2.18 2.18 0.00 3.43 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.99 0.00 91 Q 8.21 4.12 0.00 2.25 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.94 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 92 V 7.91 3.36 2.26 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 0.72 0.00 0.00 0.72 0.00 0.00 93 S 8.72 4.08 0.00 4.16 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 94 A 7.26 4.03 1.28 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 0.00 0.00 0.00 95 L 7.82 4.58 0.00 1.75 1.71 0.74 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.66 4.48 0.00 1.79 1.67 0.95 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 97 G 8.53 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 98 E 8.94 4.02 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 99 E 8.18 4.12 0.00 2.05 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 0.00 2.46 2.39 0.00 100 D 8.26 4.69 0.00 2.95 2.81 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 0.00 101 E 8.27 4.08 0.00 2.27 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 2.47 2.46 0.00 102 E 7.79 4.10 0.00 2.30 2.33 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 2.48 2.62 0.00 103 A 7.97 4.38 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 0.00 104 M 8.91 4.54 0.00 2.20 2.40 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.96 0.00 105 H 8.14 4.38 0.00 3.15 3.58 0.00 5.74 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 Y 8.53 4.71 0.00 3.42 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 0.00 107 L 7.68 4.28 0.00 1.50 1.95 0.70 1.17 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 0.00 108 T 8.60 4.54 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 1.43 0.00 0.00 109 R 7.85 4.73 0.00 1.90 1.80 0.00 2.81 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 110 V 8.28 4.55 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.28 0.00 0.00 111 E 8.72 4.26 0.00 2.16 1.78 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 2.26 2.21 0.00 112 V 5.88 4.32 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.44 0.00 0.00 113 T 8.54 4.44 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 1.13 0.00 0.00 114 E 8.41 4.54 0.00 1.63 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 0.00 1.95 2.03 0.00 115 F 8.85 4.91 0.00 3.15 3.04 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 0.00 116 E 7.85 3.87 0.00 2.10 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 2.43 2.50 0.00 117 D 8.00 4.44 0.00 2.75 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 0.00 118 I 8.48 3.22 1.88 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 1.31 0.39 0.91 0.00 0.00 119 K 7.86 4.03 0.00 1.79 1.79 0.00 1.58 0.00 0.00 0.61 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.59 7.81 120 S 8.34 4.73 0.00 3.83 3.64 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 0.00 121 G 8.24 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 0.00 122 Y 8.68 4.89 0.00 3.05 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 R 9.33 5.15 0.00 2.05 1.90 0.00 3.26 0.00 0.00 3.36 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 124 I 9.07 4.83 2.26 0.00 0.00 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 1.38 1.20 0.58 0.00 0.00 125 D 9.09 5.34 0.00 2.58 2.32 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 0.00 126 F 9.48 5.09 0.00 3.44 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 0.00 127 Y 9.38 4.93 0.00 3.02 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 F 9.41 5.46 0.00 3.10 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 0.00 129 D 9.57 4.75 0.00 2.80 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 0.00 130 E 8.83 3.83 0.00 1.96 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 0.00 2.27 2.32 0.00 131 N 8.02 4.25 0.00 1.44 2.09 0.00 0.00 6.27 7.75 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 0.00 132 P 0.00 4.06 0.00 1.11 1.79 0.00 2.88 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.94 0.00 133 Y 8.01 4.38 0.00 2.73 3.02 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 0.00 134 F 6.74 5.27 0.00 2.84 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.61 4.23 0.00 2.09 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 0.00 2.30 2.27 0.00 136 N 8.08 4.45 0.00 2.40 2.72 0.00 0.00 6.95 7.61 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 0.00 137 K 8.74 4.55 0.00 1.79 1.99 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.62 1.51 7.81 138 V 7.59 4.84 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 0.15 0.00 0.00 0.66 0.00 0.00 139 L 9.28 4.45 0.00 1.53 0.45 -0.26 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 140 S 9.40 5.49 0.00 3.66 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 0.00 141 K 9.06 4.71 0.00 1.26 1.02 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.70 7.81 142 E 8.95 5.00 0.00 1.76 1.78 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 2.21 2.16 0.00 143 F 8.65 4.72 0.00 2.01 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 0.00 144 H 9.01 4.31 0.00 3.00 3.38 0.00 5.88 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *152 S 7.78 4.27 0.00 3.92 3.74 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 0.00 153 S 7.98 4.79 0.00 3.72 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 0.00 154 K 8.42 4.63 0.00 1.52 1.48 0.00 1.60 0.00 0.00 1.45 0.00 0.00 2.73 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.19 1.37 7.81 155 S 8.09 4.90 0.00 3.54 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 T 8.46 4.13 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 1.02 0.00 0.00 157 E 8.47 4.08 0.00 1.85 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 2.21 2.20 0.00 158 I 7.92 3.51 0.97 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 -0.09 -1.16 0.00 0.00 159 K 8.42 4.33 0.00 1.61 1.71 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.74 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.27 7.81 160 W 8.09 4.83 0.00 3.15 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 K 9.63 4.34 0.00 1.92 1.71 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.78 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.44 1.42 7.81 162 S 8.69 4.09 0.00 3.85 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 0.00 163 G 8.82 3.93 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 0.00 0.00 0.00 164 K 8.03 4.25 0.00 2.13 2.09 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.75 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.61 1.66 7.81 165 D 7.86 3.37 0.00 2.34 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 0.00 0.00 0.00 0.00 166 M 5.86 3.84 0.00 2.04 1.69 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 167 T 7.20 4.08 4.27 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 1.26 0.00 0.00 *189 F 8.50 4.64 0.00 3.15 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 F 8.39 4.77 0.00 3.59 3.55 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 0.00 191 T 8.11 4.01 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 1.25 0.00 0.00 192 W 7.78 4.10 0.00 2.65 2.42 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 0.00 193 F 7.69 4.69 0.00 3.12 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 0.00 194 T 8.18 4.17 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 *200 G 7.86 3.93 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 0.00 0.00 0.00 201 A 7.95 4.54 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 D 8.16 4.42 0.00 2.77 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 0.00 203 E 8.13 3.89 0.00 2.04 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 0.00 2.35 2.37 0.00 204 L 7.90 3.88 0.00 1.44 1.36 0.51 -0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 205 G 8.09 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 0.00 206 E 8.66 3.82 0.00 2.28 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 2.27 2.59 0.00 207 V 7.90 3.55 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.99 0.00 0.00 208 I 7.84 3.83 1.96 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.62 1.06 0.00 0.00 209 K 7.95 3.86 0.00 1.33 1.51 0.00 1.01 0.00 0.00 0.61 0.00 0.00 2.81 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.17 1.15 7.81 210 D 8.15 4.70 0.00 2.81 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 0.00 211 D 8.09 4.77 0.00 2.75 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 0.00 212 I 7.65 4.25 2.24 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.78 1.42 0.00 0.00 213 W 8.61 4.67 0.00 3.60 3.50 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 0.00 214 P 0.00 4.65 0.00 2.20 2.26 0.00 4.03 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.28 0.00 215 N 7.76 4.77 0.00 2.54 2.67 0.00 0.00 7.26 7.74 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 0.00 216 P 0.00 4.69 0.00 2.01 2.32 0.00 3.61 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.90 0.00 217 L 7.97 3.99 0.00 1.79 1.85 1.05 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 218 Q 7.97 3.86 0.00 1.86 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.66 0.00 0.00 0.00 0.00 0.00 2.41 1.36 0.00 219 Y 7.42 4.26 0.00 3.29 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 220 Y 7.81 3.80 0.00 2.05 2.83 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 0.00 221 L 7.81 3.94 0.00 1.59 1.63 0.91 0.79 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 0.00 222 V 7.10 3.89 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 0.70 0.00 0.00 0.84 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.