NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3660 8.3193 115.2884 58.1635 63.5162 173.0720 3 N 4.4354 7.5407 121.3903 50.7668 39.8558 174.2439 4 I 3.5897 8.7602 115.8800 64.3544 37.9011 179.1405 5 Y 4.2107 7.5327 117.9810 60.7964 37.8221 177.7917 6 D 4.3838 8.1239 119.3936 57.5954 41.0565 178.8540 7 S 4.1206 8.0703 115.3998 61.5405 62.7894 176.6715 8 A 4.0520 8.0769 123.5410 54.9758 18.1352 179.5456 9 N 4.3108 8.4705 115.3621 56.3828 38.6669 177.1472 10 E 3.9187 8.2680 120.7675 59.1960 29.6589 178.7756 11 L 3.9170 8.0830 120.5321 58.1744 42.2395 179.1004 12 S 4.1063 8.0853 114.3028 61.5359 62.6637 176.6165 13 R 3.9801 7.9926 120.9943 58.7907 29.9920 178.9328 14 G 3.6846 8.0701 105.6697 47.5967 0.0000 175.4890 15 L 3.8319 7.7582 121.6084 57.8596 41.4816 179.8724 16 R 3.4449 7.4869 116.1923 59.0806 30.0136 178.9122 17 G 3.7465 7.5422 103.5590 45.4645 0.0000 174.2448 18 L 3.9922 7.2752 122.4649 54.1163 42.2396 176.3472 19 P 4.2611 0.0000 0.0000 65.8217 31.0660 178.6210 20 E 3.9229 8.0526 116.9150 59.3855 29.3015 178.5802 21 Y 3.8635 7.7473 118.9358 60.7308 39.0007 177.8633 22 K 3.8475 8.2805 119.1767 59.6453 32.0272 179.1986 23 A 3.9453 8.2152 120.9937 54.7996 18.1784 179.9325 24 V 3.3530 7.2480 117.1480 65.6870 31.5239 178.1397 25 K 3.6992 7.7810 119.3878 59.3528 32.0073 178.4086 26 A 3.9275 8.0529 120.8526 55.3976 18.3812 179.5663 27 A 4.0723 7.8220 118.9859 54.7166 18.3213 179.9214 28 K 3.7259 8.3635 118.7219 59.6315 32.1041 178.7493 29 D 4.2514 8.0033 117.7876 57.2867 41.1966 178.1491 30 A 4.1317 7.8988 121.1417 55.4568 18.3579 179.6171 31 I 3.5701 7.5276 117.3110 64.6068 36.9343 178.3897 32 A 3.9262 7.9148 120.3806 54.6744 18.1218 178.4792 33 A 4.6384 7.3461 116.3192 50.9204 19.1984 176.3753 34 D 4.5488 7.8577 118.7524 52.0871 43.7173 175.9192 35 A 3.9971 8.8603 129.3355 55.8218 18.1982 178.0805 36 E 3.8136 8.4499 115.6264 60.4422 29.4429 179.4023 37 A 4.0739 9.2256 120.5359 55.4010 18.6254 179.9907 38 S 4.0758 8.4377 114.1358 61.5200 62.9231 176.8258 39 K 4.0145 8.0948 122.3194 59.5233 31.9115 178.7876 40 I 3.8538 7.5671 120.1482 64.4753 37.0733 177.8604 41 F 4.0768 8.4818 121.2949 61.8123 39.2077 177.0371 42 T 4.0248 8.6621 115.4536 67.0448 68.2687 176.2773 43 D 4.4407 8.8493 120.8227 57.4138 40.7969 178.0077 44 Y 2.7243 8.6253 120.8173 60.3811 38.7508 177.9836 45 L 3.7843 7.9283 120.7960 58.1603 42.1018 178.7687 46 A 4.0081 7.9844 120.6325 55.1752 18.2610 179.4303 47 F 4.4500 8.1807 120.6154 60.7307 39.3562 177.4298 48 Q 3.5737 7.8408 118.0910 58.8494 28.5119 178.2870 49 E 3.8777 7.9876 119.4614 59.6933 29.5645 179.3600 50 E 3.9888 7.9349 118.0378 59.6685 29.6100 179.4147 51 I 3.6224 7.4759 119.5981 64.5776 36.9028 178.4395 52 Q 3.9385 8.0901 117.8738 58.7664 28.9246 178.6734 53 K 4.0255 8.1823 120.5874 59.2160 32.0980 178.2654 54 L 3.7896 8.0646 119.6585 58.9658 42.0929 179.0352 55 A 4.0115 8.2170 120.8008 55.1374 18.2820 179.0091 56 Q 4.1146 7.2973 110.6599 57.4400 28.5450 176.9248 57 T 4.1129 7.7498 115.3713 63.8273 68.9795 176.1117 58 G 4.0862 8.1419 108.9530 45.5565 0.0000 174.5250 59 Q 4.5710 7.1131 124.6441 54.7480 27.5466 176.6888 *61 P 3.9523 0.0000 0.0000 63.0884 32.1848 176.5245 62 D 4.7273 8.3631 122.8835 52.3436 42.1442 176.7358 63 A 4.0168 8.6419 120.2349 55.7474 18.0325 179.7000 64 S 4.0774 8.2220 110.9174 61.5258 62.3871 176.2570 65 F 4.0915 9.0624 120.1367 60.5368 38.7748 177.4285 66 Q 4.2846 8.5563 117.1497 59.0208 28.7401 178.4454 67 A 4.2018 8.3416 121.8840 54.7135 18.3438 180.1830 68 K 3.7720 7.8945 113.8427 57.1936 31.9266 178.4618 *70 E 4.2598 8.2329 122.7315 56.2409 31.6013 178.0357 71 G 3.4390 8.2029 105.5261 47.8580 0.0000 175.7323 72 F 4.5595 8.0377 120.7129 59.9608 38.9421 177.7880 73 G 3.7213 8.2671 104.9866 48.0387 0.0000 175.5281 74 K 3.9673 7.8770 121.0194 59.0342 32.0486 179.5511 75 Q 3.9627 7.9587 118.1853 59.0461 28.4726 178.7005 76 I 3.5889 7.6888 119.7295 64.6764 37.1800 178.3359 77 Q 4.2121 8.0276 117.4686 58.1475 28.6486 177.9885 78 G 3.8985 7.9403 104.7493 44.0232 0.0000 172.8674 79 N 4.9828 7.4505 120.6047 51.4300 41.3033 175.1615 80 S 4.1502 8.7148 119.8529 61.4674 62.5620 176.0709 81 L 4.1575 8.1806 121.4931 57.4049 41.2701 179.4148 82 L 4.3313 8.1255 118.7738 57.7667 41.7603 179.2234 83 S 4.1946 8.3164 115.2272 61.6507 62.7929 176.3741 84 E 3.9526 8.1838 121.5848 59.2710 29.3340 178.6190 85 F 4.0361 8.2076 120.2037 61.5226 39.3873 177.1913 86 F 4.0134 9.0470 117.7572 60.5942 38.6736 178.0068 87 T 3.9256 8.1004 115.5902 66.7103 68.4265 177.1249 88 K 3.9892 8.1508 120.3366 59.1781 31.9105 179.3086 89 Q 3.6788 8.0290 120.5862 58.9051 28.4882 177.9721 90 Q 3.9836 7.7574 119.2358 59.3052 28.5569 179.1638 91 Q 3.8881 7.4202 117.0642 58.8138 29.0369 178.1805 92 L 4.2685 7.9346 120.8205 57.8964 42.0424 178.5332 93 A 4.0539 8.2251 121.0334 55.3840 18.1791 179.6351 94 I 3.6054 7.3643 117.7403 64.7820 37.2396 178.2961 95 Y 4.0270 7.9183 116.9697 60.9162 37.7742 178.3570 96 L 4.0539 8.1251 119.8876 57.9383 41.7061 179.3871 97 S 4.1360 8.3501 115.4245 62.0919 62.8615 176.5313 98 D 4.3788 8.2054 121.0785 57.5773 40.4710 179.2347 99 I 3.6592 7.7648 119.8330 64.2850 37.1823 177.6819 100 E 4.2273 8.1923 120.2296 59.5073 29.1619 178.7631 101 K 4.3368 7.9927 119.2884 59.3050 32.3980 178.5103 102 I 3.8584 8.0107 118.9155 63.7157 37.1072 178.0624 103 V 3.6565 7.6844 117.9626 64.9820 31.9651 177.3129 104 F 4.7197 7.7970 116.8724 59.4454 39.4250 178.1408 105 E 4.0309 8.2153 116.4556 58.6202 29.5678 176.7413 106 P 4.4437 0.0000 0.0000 64.4375 31.6298 176.1139 107 V 4.6067 7.6356 112.2079 60.0398 32.3268 175.7086 108 S 4.2026 7.8629 119.7517 59.2163 63.6695 175.0437 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 S 8.32 4.37 0.00 3.83 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 3 N 7.54 4.44 0.00 3.02 2.96 0.00 0.00 5.85 6.84 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 4 I 8.76 3.59 1.62 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 -0.36 0.76 0.00 0.00 5 Y 7.53 4.21 0.00 3.06 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 6 D 8.12 4.38 0.00 2.90 2.73 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 0.00 0.00 0.00 0.00 7 S 8.07 4.12 0.00 3.84 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 8 A 8.08 4.05 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 9 N 8.47 4.31 0.00 2.89 2.89 0.00 0.00 6.58 7.40 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 10 E 8.27 3.92 0.00 2.20 2.15 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 2.29 2.31 0.00 11 L 8.08 3.92 0.00 1.91 1.85 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.09 4.11 0.00 4.06 4.10 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 0.00 0.00 0.00 0.00 13 R 7.99 3.98 0.00 1.92 2.00 0.00 3.15 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 14 G 8.07 3.68 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 0.00 0.00 0.00 15 L 7.76 3.83 0.00 1.67 1.42 0.87 0.83 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 16 R 7.49 3.44 0.00 1.84 1.90 0.00 3.07 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.56 0.00 17 G 7.54 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 0.00 0.00 0.00 18 L 7.28 3.99 0.00 1.81 1.39 0.04 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.26 0.00 2.13 2.10 0.00 3.52 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 2.10 2.17 0.00 20 E 8.05 3.92 0.00 1.92 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.48 0.00 21 Y 7.75 3.86 0.00 3.08 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 22 K 8.28 3.85 0.00 1.99 1.86 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.57 1.76 7.81 23 A 8.22 3.95 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 24 V 7.25 3.35 1.87 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 0.81 0.00 0.00 0.69 0.00 0.00 25 K 7.78 3.70 0.00 1.44 1.68 0.00 1.54 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.43 1.56 7.81 26 A 8.05 3.93 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 27 A 7.82 4.07 1.47 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 0.00 0.00 28 K 8.36 3.73 0.00 2.02 1.93 0.00 0.85 0.00 0.00 1.35 0.00 0.00 2.50 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.35 7.81 29 D 8.00 4.25 0.00 2.65 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 A 7.90 4.13 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 31 I 7.53 3.57 1.79 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.71 0.59 0.00 0.00 32 A 7.91 3.93 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 A 7.35 4.64 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 34 D 7.86 4.55 0.00 2.72 2.48 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 35 A 8.86 4.00 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 36 E 8.45 3.81 0.00 2.19 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 37 A 9.23 4.07 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 38 S 8.44 4.08 0.00 3.92 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.09 4.01 0.00 1.93 1.85 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.47 1.58 7.81 40 I 7.57 3.85 2.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.96 1.11 0.00 0.00 41 F 8.48 4.08 0.00 3.30 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 42 T 8.66 4.02 4.51 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 1.28 0.00 0.00 43 D 8.85 4.44 0.00 3.17 3.03 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 44 Y 8.63 2.72 0.00 2.74 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 45 L 7.93 3.78 0.00 1.95 1.75 0.85 1.02 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 46 A 7.98 4.01 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 47 F 8.18 4.45 0.00 3.13 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 48 Q 7.84 3.57 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.48 0.00 0.00 0.00 0.00 0.00 2.17 2.16 0.00 49 E 7.99 3.88 0.00 2.24 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 2.32 2.46 0.00 50 E 7.93 3.99 0.00 2.23 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 2.46 2.43 0.00 51 I 7.48 3.62 1.73 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.39 0.79 0.00 0.00 52 Q 8.09 3.94 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.97 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 53 K 8.18 4.03 0.00 1.80 1.77 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.42 7.81 54 L 8.06 3.79 0.00 1.28 1.70 -0.14 0.86 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 55 A 8.22 4.01 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 56 Q 7.30 4.11 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.78 0.00 0.00 0.00 0.00 0.00 2.53 2.29 0.00 57 T 7.75 4.11 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 58 G 8.14 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 59 Q 7.11 4.57 0.00 1.96 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.44 0.00 0.00 0.00 0.00 0.00 2.46 2.29 0.00 *61 P 0.00 3.95 0.00 2.13 2.12 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.01 0.00 62 D 8.36 4.73 0.00 2.97 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 63 A 8.64 4.02 1.38 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 0.00 0.00 0.00 64 S 8.22 4.08 0.00 3.96 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 65 F 9.06 4.09 0.00 3.30 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 66 Q 8.56 4.28 0.00 2.25 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.99 0.00 0.00 0.00 0.00 0.00 2.49 2.74 0.00 67 A 8.34 4.20 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 68 K 7.89 3.77 0.00 1.70 0.84 0.00 1.46 0.00 0.00 1.22 0.00 0.00 2.69 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.07 1.17 7.81 *70 E 8.23 4.26 0.00 2.20 2.15 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 2.26 2.35 0.00 71 G 8.20 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 0.00 0.00 0.00 72 F 8.04 4.56 0.00 3.16 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 73 G 8.27 3.72 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 0.00 0.00 0.00 74 K 7.88 3.97 0.00 1.97 1.84 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.44 1.46 7.81 75 Q 7.96 3.96 0.00 2.34 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 76 I 7.69 3.59 1.66 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.19 0.45 0.00 0.00 77 Q 8.03 4.21 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.86 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 78 G 7.94 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 79 N 7.45 4.98 0.00 2.80 2.71 0.00 0.00 6.69 7.65 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 80 S 8.71 4.15 0.00 3.95 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 81 L 8.18 4.16 0.00 1.93 1.74 0.97 0.48 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 82 L 8.13 4.33 0.00 1.92 1.83 0.99 1.26 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 83 S 8.32 4.19 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 84 E 8.18 3.95 0.00 2.17 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 2.35 2.42 0.00 85 F 8.21 4.04 0.00 3.24 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 86 F 9.05 4.01 0.00 3.28 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 87 T 8.10 3.93 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 1.23 0.00 0.00 88 K 8.15 3.99 0.00 1.58 1.72 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.65 1.63 7.81 89 Q 8.03 3.68 0.00 1.28 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.77 0.00 0.00 0.00 0.00 0.00 2.05 2.22 0.00 90 Q 7.76 3.98 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.59 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 91 Q 7.42 3.89 0.00 2.19 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.99 0.00 0.00 0.00 0.00 0.00 2.55 2.50 0.00 92 L 7.93 4.27 0.00 1.77 1.62 1.07 1.11 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 93 A 8.23 4.05 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 94 I 7.36 3.61 1.72 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.43 0.70 0.00 0.00 95 Y 7.92 4.03 0.00 3.24 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 L 8.13 4.05 0.00 1.77 1.79 0.99 1.06 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 97 S 8.35 4.14 0.00 4.13 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 0.00 98 D 8.21 4.38 0.00 2.89 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 99 I 7.76 3.66 2.10 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 1.44 0.90 0.96 0.00 0.00 100 E 8.19 4.23 0.00 2.31 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 2.37 2.46 0.00 101 K 7.99 4.34 0.00 1.94 1.97 0.00 1.69 0.00 0.00 1.55 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.36 7.81 102 I 8.01 3.86 1.89 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.73 0.86 0.00 0.00 103 V 7.68 3.66 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.69 0.00 0.00 104 F 7.80 4.72 0.00 3.46 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 0.00 105 E 8.22 4.03 0.00 2.18 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 0.00 2.67 2.34 0.00 106 P 0.00 4.44 0.00 2.18 2.21 0.00 3.63 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.97 0.00 107 V 7.64 4.61 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 0.73 0.00 0.00 1.03 0.00 0.00 108 S 7.86 4.20 0.00 3.85 3.72 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 * Residues marked with a * may have inaccurate shift predictions.