NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.3452 8.3349 115.4158 58.2903 63.7357 172.8775 *2 Q 4.3716 8.4391 125.3120 55.8245 30.5115 177.7759 3 I 3.8427 7.6641 116.9328 63.3525 38.3409 177.2209 4 E 3.9956 8.3610 119.6416 59.4151 29.5240 179.0250 5 K 3.8644 7.9814 117.6610 58.9738 32.1207 177.5714 6 L 4.4695 7.8418 116.0495 54.2963 42.5897 176.8885 7 R 3.8788 7.5155 120.0118 55.5061 30.4870 176.2424 8 G 3.8936 8.3288 111.1710 44.7754 0.0000 172.2153 9 A 3.9273 8.1702 119.8558 55.3274 18.1166 179.7918 10 A 3.8868 7.8428 118.5698 55.1959 18.5742 179.5172 11 L 3.5988 7.6884 118.3942 58.1202 42.2120 178.4492 12 D 4.4213 8.1747 119.0680 57.5570 40.7297 178.5991 13 E 3.9257 8.1249 119.5609 59.0085 29.6322 178.4896 14 L 3.9164 7.7423 120.3905 58.3386 42.0456 179.1225 15 F 4.6641 7.9167 117.5903 60.7600 38.6308 177.3047 16 D 4.3788 8.4900 117.8645 57.3408 41.0159 178.5426 17 A 4.0182 8.2045 121.1909 55.3121 18.5158 179.7890 18 I 3.5414 7.8696 118.2610 64.4691 36.9467 178.7215 19 L 4.1059 8.0638 119.3176 57.5029 41.4909 179.0499 20 T 4.0379 7.4334 108.0880 62.5081 69.2702 175.0847 21 L 4.0745 7.1862 122.4992 55.0137 42.1201 176.5864 22 E 4.5494 9.1850 121.9323 56.8362 31.5812 175.8357 23 N 5.0311 7.5709 114.8724 50.4653 41.7379 175.1148 24 R 3.9991 8.5233 119.4682 59.5630 30.1579 177.8129 25 E 4.1521 8.3357 118.7895 59.2678 29.6489 178.3341 26 E 4.0870 8.8592 118.8977 59.6240 29.4216 179.1771 27 C 4.4604 8.0172 116.9157 63.0400 28.2417 175.5003 28 Y 4.0395 8.2653 118.3583 61.4144 37.6251 179.0623 29 Q 4.0951 8.4556 118.7014 58.8966 28.7724 178.6472 30 F 4.0953 8.6730 122.0412 61.4571 39.4368 177.3254 31 F 3.9155 8.6800 117.5291 59.9468 38.4384 177.3278 32 D 4.3330 8.0313 117.5552 57.2601 41.0690 177.7516 33 D 4.3990 7.6630 118.2734 57.3142 40.9534 178.2219 34 L 3.8776 7.5767 119.7546 56.5162 42.2439 176.3443 35 C 5.0552 7.4819 114.2053 57.4121 31.8042 174.1462 36 T 4.3042 8.5054 112.1978 60.8935 70.7591 175.9316 37 V 3.5849 8.2925 120.7994 66.5294 31.4091 177.8215 38 N 4.3237 8.1390 115.3906 56.3211 38.4044 177.0351 39 E 3.9429 8.2364 119.8322 59.5701 29.5341 179.5104 40 I 3.6428 7.7778 119.7363 64.3572 37.1195 178.2631 41 Q 3.9140 8.2336 120.4309 59.2373 28.8486 178.5036 42 S 4.1033 8.0470 116.1332 61.6656 62.8305 176.7728 43 L 3.9713 7.8848 121.6131 57.7524 41.3360 179.4184 44 S 4.0280 8.2208 113.3174 61.4255 62.2017 176.0430 45 Q 3.9077 8.2182 122.2175 59.2192 28.7229 178.3821 46 R 3.8488 7.9513 119.1392 59.2069 30.0485 178.8531 47 L 3.9787 7.8151 119.7983 58.1078 41.8590 178.9770 48 Q 3.8984 7.7951 117.2459 58.8217 28.7157 178.6044 49 V 3.5680 7.6835 118.0317 65.8538 31.8709 177.3943 50 A 3.8381 7.7207 120.5288 54.9619 17.9866 179.9259 51 K 3.6718 7.7495 113.8073 57.8223 31.9924 178.2066 *53 I 4.1465 7.6246 119.6659 61.1494 38.9400 178.1948 54 K 4.1041 7.9848 118.9242 58.8869 31.9516 178.6326 55 Q 4.0892 8.0433 116.3654 56.4003 29.0055 176.7313 56 G 3.9066 8.0215 106.5357 45.2885 0.0000 173.5223 57 Y 4.2012 7.6147 116.4768 57.8822 38.6768 176.3733 58 T 4.5531 8.3033 113.1865 60.9506 71.8087 175.3822 59 Y 4.2284 8.7581 119.0690 61.4636 37.8164 178.9980 60 A 4.0445 8.1159 120.9911 55.5862 18.5860 179.7004 61 T 3.8760 7.9426 113.7432 66.6949 68.6012 176.8963 62 I 3.5824 7.7950 121.7774 64.3319 37.0017 178.2044 63 E 4.1433 8.3637 121.0289 58.9141 29.0935 179.2749 64 Q 3.9274 7.8259 118.1720 59.1286 29.2240 177.5925 65 E 4.2255 8.0823 118.0900 57.5578 29.9367 177.8013 66 S 4.5867 8.1154 112.1239 57.5081 64.5190 175.3743 67 G 3.8703 7.9000 109.9901 44.9868 0.0000 173.7090 68 A 4.0733 7.5685 123.5646 51.6855 19.1473 177.6461 69 S 4.4380 8.3410 116.9264 58.2641 65.3528 175.6812 70 T 3.8168 8.4599 119.0342 66.6453 68.1618 176.7415 71 A 3.9722 7.8998 122.1806 55.4462 18.5449 179.4580 72 T 3.7895 7.7640 114.1966 66.9507 68.4852 176.7498 73 I 3.4677 7.6775 121.4328 64.4263 37.0361 178.5141 74 S 4.2031 8.3191 116.2370 61.8830 62.6979 177.1465 75 R 3.9661 8.0862 120.5284 59.1198 29.8061 179.2930 76 V 3.5727 7.8842 118.0728 65.8614 31.4060 177.7775 77 K 3.8617 8.2788 119.7410 59.6598 31.9938 178.4818 78 R 4.0741 8.2557 119.0559 59.6514 30.1175 178.6929 79 S 4.3317 8.2904 113.9280 61.3759 62.7736 176.4499 80 L 4.0917 7.8706 122.0976 57.3986 41.3627 178.5966 81 Q 3.8840 7.6553 118.7352 57.2520 29.1707 176.2539 82 W 5.1274 8.0010 115.8090 56.1404 31.3254 176.3841 83 G 4.1719 7.9214 111.7169 46.0663 0.0000 174.8322 84 N 4.7032 8.7934 123.1372 52.3224 38.4545 174.0309 85 D 4.3975 8.0527 116.1889 55.1694 39.7406 175.2674 86 A 4.2466 7.9999 121.4523 54.2559 19.1531 179.6274 87 Y 4.2760 7.9771 113.7668 61.7664 38.2702 178.6232 88 T 4.0508 7.5152 115.0939 64.6019 69.0016 175.7167 *90 I 4.1174 7.7836 117.4702 60.9127 39.7215 177.8047 91 L 4.0377 8.2438 121.3291 57.5704 41.7799 178.7332 92 D 4.3689 8.2275 117.5247 57.4607 41.1888 178.9666 93 R 4.1734 7.1798 117.4079 56.2023 29.3731 176.5625 *95 N 4.5442 7.9589 110.6860 53.1181 39.9685 175.1552 96 I 4.2536 7.6964 118.7521 59.9850 38.5848 176.3265 97 E 4.2278 8.6789 125.6378 56.2913 30.0404 176.2149 98 T 4.7461 8.0146 112.1842 59.5330 72.2297 173.5461 99 N 4.4904 8.8629 119.1022 53.7423 38.4677 175.2963 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 0 S 8.33 4.35 0.00 4.00 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 *2 Q 8.44 4.37 0.00 2.16 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 3 I 7.66 3.84 1.93 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.71 0.97 0.00 0.00 4 E 8.36 4.00 0.00 2.05 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 2.43 2.31 0.00 5 K 7.98 3.86 0.00 1.85 1.90 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.52 7.81 6 L 7.84 4.47 0.00 1.71 1.68 0.93 0.97 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 7 R 7.52 3.88 0.00 1.77 1.87 0.00 3.43 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 8 G 8.33 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 9 A 8.17 3.93 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 10 A 7.84 3.89 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 11 L 7.69 3.60 0.00 1.62 1.54 0.18 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.17 4.42 0.00 2.89 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 13 E 8.12 3.93 0.00 2.16 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 2.29 2.30 0.00 14 L 7.74 3.92 0.00 1.68 1.42 1.02 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 15 F 7.92 4.66 0.00 3.13 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 16 D 8.49 4.38 0.00 2.76 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 17 A 8.20 4.02 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 7.87 3.54 2.17 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.27 1.06 0.00 0.00 19 L 8.06 4.11 0.00 1.77 1.73 0.94 1.10 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 20 T 7.43 4.04 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 21 L 7.19 4.07 0.00 1.79 1.66 0.96 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 22 E 9.19 4.55 0.00 2.02 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 2.23 2.33 0.00 23 N 7.57 5.03 0.00 2.97 2.91 0.00 0.00 5.93 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 24 R 8.52 4.00 0.00 1.99 2.07 0.00 3.31 0.00 0.00 3.51 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.81 0.00 25 E 8.34 4.15 0.00 2.15 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 2.38 2.51 0.00 26 E 8.86 4.09 0.00 2.28 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 2.37 2.58 0.00 27 C 8.02 4.46 0.00 3.28 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.27 4.04 0.00 3.34 3.09 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 29 Q 8.46 4.10 0.00 2.35 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.82 0.00 0.00 0.00 0.00 0.00 2.45 2.58 0.00 30 F 8.67 4.10 0.00 3.04 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 31 F 8.68 3.92 0.00 3.21 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 32 D 8.03 4.33 0.00 2.88 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 33 D 7.66 4.40 0.00 2.69 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 7.58 3.88 0.00 0.72 1.22 0.72 0.67 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 35 C 7.48 5.06 0.00 3.14 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 36 T 8.51 4.30 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 37 V 8.29 3.58 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 1.07 0.00 0.00 0.95 0.00 0.00 38 N 8.14 4.32 0.00 2.77 2.85 0.00 0.00 7.10 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 39 E 8.24 3.94 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 2.34 2.36 0.00 40 I 7.78 3.64 1.97 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 1.40 0.72 0.81 0.00 0.00 41 Q 8.23 3.91 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 42 S 8.05 4.10 0.00 4.10 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 43 L 7.88 3.97 0.00 1.73 1.64 0.85 0.73 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 44 S 8.22 4.03 0.00 3.80 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.22 3.91 0.00 2.26 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.57 0.00 0.00 0.00 0.00 0.00 2.30 2.52 0.00 46 R 7.95 3.85 0.00 2.11 2.05 0.00 3.21 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 47 L 7.82 3.98 0.00 1.83 1.80 1.08 1.36 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 48 Q 7.80 3.90 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.71 0.00 0.00 0.00 0.00 0.00 2.54 2.46 0.00 49 V 7.68 3.57 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.87 0.00 0.00 50 A 7.72 3.84 0.38 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 51 K 7.75 3.67 0.00 1.80 1.91 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.63 1.50 7.81 *53 I 7.62 4.15 1.95 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.53 0.94 0.00 0.00 54 K 7.98 4.10 0.00 1.96 1.86 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.50 7.81 55 Q 8.04 4.09 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.78 0.00 0.00 0.00 0.00 0.00 2.56 2.49 0.00 56 G 8.02 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 0.00 0.00 0.00 57 Y 7.61 4.20 0.00 3.00 2.91 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 58 T 8.30 4.55 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 1.23 0.00 0.00 59 Y 8.76 4.23 0.00 2.96 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 60 A 8.12 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 61 T 7.94 3.88 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 62 I 7.80 3.58 1.94 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 1.45 0.88 0.77 0.00 0.00 63 E 8.36 4.14 0.00 2.16 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 2.54 2.26 0.00 64 Q 7.83 3.93 0.00 2.06 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.93 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 65 E 8.08 4.23 0.00 1.82 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.24 0.00 66 S 8.12 4.59 0.00 3.93 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 7.90 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 68 A 7.57 4.07 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.34 4.44 0.00 4.05 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 70 T 8.46 3.82 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 1.35 0.00 0.00 71 A 7.90 3.97 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 72 T 7.76 3.79 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 1.16 0.00 0.00 73 I 7.68 3.47 1.56 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.73 -0.25 0.00 0.00 74 S 8.32 4.20 0.00 4.04 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 75 R 8.09 3.97 0.00 2.03 2.01 0.00 3.15 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 76 V 7.88 3.57 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.93 0.00 0.00 77 K 8.28 3.86 0.00 2.03 2.07 0.00 1.64 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.60 1.58 7.81 78 R 8.26 4.07 0.00 2.13 2.16 0.00 3.23 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.85 0.00 79 S 8.29 4.33 0.00 4.24 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 80 L 7.87 4.09 0.00 1.81 1.75 0.83 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 7.66 3.88 0.00 1.75 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.89 0.00 0.00 0.00 0.00 0.00 1.16 1.84 0.00 82 W 8.00 5.13 0.00 3.43 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 83 G 7.92 4.17 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 0.00 0.00 0.00 84 N 8.79 4.70 0.00 2.67 2.81 0.00 0.00 6.71 8.06 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 85 D 8.05 4.40 0.00 2.89 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 A 8.00 4.25 1.11 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 0.00 0.00 87 Y 7.98 4.28 0.00 3.02 2.91 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 88 T 7.52 4.05 4.55 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 1.22 0.00 0.00 *90 I 7.78 4.12 1.87 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.04 0.87 0.00 0.00 91 L 8.24 4.04 0.00 1.80 1.78 0.96 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.23 4.37 0.00 2.70 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 93 R 7.18 4.17 0.00 1.98 1.94 0.00 3.23 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 *95 N 7.96 4.54 0.00 2.74 2.87 0.00 0.00 7.14 7.45 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 96 I 7.70 4.25 1.89 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 0.79 0.93 0.00 0.00 97 E 8.68 4.23 0.00 1.96 1.88 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 2.32 2.24 0.00 98 T 8.01 4.75 4.36 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 1.22 0.00 0.00 99 N 8.86 4.49 0.00 2.80 2.75 0.00 0.00 6.80 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 * Residues marked with a * may have inaccurate shift predictions.