NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 H 4.9828 8.3033 120.6774 56.0401 31.3075 171.8510 3 F 4.7981 9.2415 125.4560 55.4226 39.9365 173.8702 4 S 4.8780 9.8165 117.8970 57.0610 67.4311 172.6710 5 I 5.2766 9.4441 121.6610 57.9187 36.5956 173.6375 6 P 4.4233 0.0000 0.0000 64.6048 32.4069 176.8040 7 E 4.8969 7.8753 118.7956 54.9061 33.2354 173.6598 8 T 5.0495 8.4356 113.4278 59.9765 71.9885 172.6988 9 E 4.7147 8.8166 120.8072 54.6337 34.3564 174.5511 10 S 4.8267 8.4553 116.5558 57.4313 63.5392 173.2103 11 R 4.7329 8.1406 125.2670 54.6979 34.6691 173.9896 12 S 5.1804 8.3181 112.6590 58.2963 65.5734 174.4641 *18 S 4.3831 8.4875 112.8654 57.5691 64.2983 173.4649 19 A 4.5787 7.8505 123.8653 52.5822 19.1730 176.2484 20 Y 4.9756 8.2000 118.2041 55.5946 42.2785 173.8432 21 V 4.3786 8.5602 119.9979 62.1082 32.5334 174.7667 22 A 5.1136 8.8312 129.9215 50.5106 22.0518 174.6802 23 Y 4.6970 9.3540 119.1047 56.4377 40.2081 175.0284 24 N 5.2518 9.0235 122.9270 52.1227 39.3211 173.8970 25 I 4.6001 9.1023 126.2746 61.2743 38.6114 175.1205 26 H 5.2775 9.5987 124.0814 53.9515 32.3768 173.4090 27 V 4.3969 8.4748 120.5111 61.6318 34.3611 175.4342 28 N 3.8910 9.9873 126.1095 54.4319 36.6898 175.3579 29 G 3.9060 8.5094 103.0311 45.4008 0.0000 173.8188 30 V 4.3425 7.4109 119.7097 60.0004 33.6743 174.6572 31 L 3.6734 8.5291 128.5595 56.2230 42.2131 174.6811 32 H 4.7833 9.1492 125.3588 57.3385 31.8200 173.5692 33 C 4.6316 7.7319 110.7593 57.1355 32.8149 171.8322 34 R 5.2174 8.8386 121.5320 54.9562 31.4306 175.6086 35 V 5.0311 8.9521 118.4523 59.9627 36.9313 174.5463 36 R 5.2049 9.3050 119.6104 55.0771 31.9558 176.6684 37 Y 4.1992 9.2758 120.6396 61.2340 38.6886 178.4798 38 S 4.1768 8.4313 114.4117 61.7294 62.7699 176.5419 39 Q 4.0104 8.1007 121.1631 58.8511 28.4878 178.5527 40 L 3.7608 7.8455 119.5121 57.3274 41.5997 179.1526 41 L 2.7011 7.9156 121.0265 57.6825 41.9859 179.3102 42 G 3.4334 7.8137 105.6343 47.3873 0.0000 175.4116 43 L 3.6815 7.5445 122.5812 58.1587 42.0047 178.4083 44 H 4.0041 7.7956 118.2571 59.4614 29.6860 176.9720 45 E 3.7968 8.0464 120.3330 59.3271 29.2333 179.2301 46 Q 3.9077 8.0301 119.6557 59.1115 29.0601 178.1396 47 L 4.1165 8.0778 120.1904 57.6731 41.5171 179.4971 48 R 3.8495 8.1971 119.0669 59.2889 29.8004 178.6032 49 K 3.8566 7.7465 117.0810 59.6833 32.1344 178.8576 50 E 3.8655 7.9900 117.4341 58.5746 29.4946 177.9260 51 Y 4.7013 8.2427 113.8462 57.2250 39.3238 176.8158 52 G 3.7518 7.9163 108.3063 45.0802 0.0000 173.6366 53 A 4.2180 7.6352 129.1464 51.7614 16.7713 179.8202 54 N 4.4710 7.9463 108.8425 53.5513 38.9709 176.1244 55 V 4.2053 9.4143 119.4728 63.0704 33.6729 175.9573 56 L 4.4884 7.4854 117.9265 52.5113 42.9808 174.5598 57 P 4.4615 0.0000 0.0000 61.8803 32.0302 176.3707 58 A 4.1688 8.4227 123.3470 52.4187 18.8376 177.1425 59 F 4.1508 8.4972 124.6532 56.0457 40.4106 173.7153 60 P 4.0836 0.0000 0.0000 62.1986 31.5172 174.5602 61 P 4.6951 0.0000 0.0000 61.6901 32.4137 176.2430 62 K 4.0729 8.6225 118.9774 56.7818 32.5829 176.6699 63 K 4.6451 8.1990 120.6858 54.9453 34.5871 176.3157 64 L 4.3274 8.2903 119.5288 54.6594 42.2392 176.6221 65 F 4.9301 7.5159 116.5504 55.0073 42.9713 174.4873 66 S 4.2244 8.8220 117.9749 58.6697 63.1155 174.2219 67 L 4.4282 8.3417 123.8905 54.5426 42.2321 177.7264 68 T 4.1907 8.7494 114.0749 60.7624 70.8828 173.9034 69 P 4.1993 0.0000 0.0000 65.7270 31.2435 178.7516 70 A 4.0054 7.9601 118.9515 55.3151 18.2772 179.3586 71 E 3.9039 8.1604 117.0488 59.4444 29.5050 179.7619 72 V 3.6406 8.1364 118.6282 66.0328 31.6099 177.6641 73 E 4.0086 8.3381 119.0595 59.2932 29.4667 178.5932 74 Q 3.9303 8.3074 119.6776 59.2299 29.1872 178.1922 75 R 3.8227 8.3127 120.0700 59.1811 30.1063 178.2171 76 R 3.9705 8.6187 119.0139 59.7676 30.0913 178.3262 77 E 4.0349 8.1916 118.1214 59.5782 29.3592 179.5008 78 Q 3.9997 8.2281 118.0660 58.9119 28.7332 178.6291 79 L 3.8730 8.3320 120.4479 57.4731 41.5289 179.1749 80 E 4.0325 8.2789 119.3184 59.4519 29.5867 179.1166 81 K 4.1710 8.0962 118.4975 59.4714 32.0581 178.7085 82 Y 3.9680 8.3460 120.0904 61.0926 38.6848 178.2284 83 M 4.1042 8.6582 119.9489 58.3409 32.0812 178.6887 84 Q 3.8784 8.2796 118.0338 58.9403 28.7192 178.8471 85 A 3.8452 7.8038 120.4473 55.0702 18.5548 179.5429 86 V 3.1977 7.3018 116.6250 65.9968 31.4903 178.2550 87 R 3.5586 7.6435 118.4942 59.2484 29.6280 178.0941 88 Q 4.2016 7.7438 116.1885 56.3715 29.2304 175.8064 89 D 4.3304 7.1116 121.4466 53.1121 41.8462 174.4424 90 P 4.1303 0.0000 0.0000 66.0280 31.7904 178.0500 91 L 3.9221 7.7602 118.6100 57.9160 42.1020 178.4110 92 L 3.5544 8.1830 119.1628 57.8177 41.4766 180.0712 93 G 3.4753 8.0543 105.3011 46.1671 0.0000 174.6574 94 S 4.5901 7.3698 114.1749 57.7483 64.3577 174.7645 95 S 4.3927 7.5056 118.8678 58.2208 63.5968 175.1124 96 E 4.0910 8.8708 122.8772 59.4294 29.4324 179.3724 97 T 3.9505 7.9973 115.7831 66.4591 68.6111 176.1278 98 F 4.2822 8.1844 122.0636 61.6872 39.4648 177.0404 99 N 4.4433 8.5624 116.3666 56.1428 38.3113 177.7014 100 S 4.1630 8.6968 116.3851 61.0358 63.1388 176.3207 101 F 4.0606 8.1333 123.8541 61.2656 39.1831 177.0965 102 L 3.9288 7.9514 118.5225 57.7980 41.4032 179.8357 103 R 3.8873 8.1780 118.1239 59.2351 30.0172 179.1651 104 R 3.8030 8.0902 118.3378 59.2407 30.0772 178.2473 105 A 3.7692 7.9655 121.0537 55.1314 18.2726 179.4234 106 Q 3.9948 7.9573 119.3012 58.8093 28.8791 178.4137 107 Q 3.9473 7.7675 117.9510 59.1745 28.8554 178.5284 108 E 4.0980 8.0392 118.2656 59.3536 29.4891 179.3753 109 T 4.0087 7.7454 115.3786 66.4982 68.7053 174.8675 110 Q 4.2170 8.3317 124.7981 56.3483 29.2679 175.1623 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 H 8.30 4.98 0.00 3.26 3.42 0.00 5.63 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 F 9.24 4.80 0.00 3.06 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 4 S 9.82 4.88 0.00 3.96 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 5 I 9.44 5.28 2.01 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.35 1.17 0.00 0.00 6 P 0.00 4.42 0.00 2.12 2.12 0.00 4.04 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.63 0.00 7 E 7.88 4.90 0.00 2.02 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 2.30 0.00 8 T 8.44 5.05 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 1.01 0.00 0.00 9 E 8.82 4.71 0.00 1.78 1.73 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 2.17 2.18 0.00 10 S 8.46 4.83 0.00 3.78 3.67 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 0.00 0.00 0.00 0.00 11 R 8.14 4.73 0.00 0.90 1.50 0.00 3.15 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.33 0.00 12 S 8.32 5.18 0.00 3.96 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 *18 S 8.49 4.38 0.00 4.12 4.22 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 0.00 0.00 0.00 0.00 19 A 7.85 4.58 1.23 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 20 Y 8.20 4.98 0.00 3.09 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 21 V 8.56 4.38 2.10 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 0.26 0.00 0.00 0.90 0.00 0.00 22 A 8.83 5.11 1.25 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 0.00 0.00 23 Y 9.35 4.70 0.00 3.10 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 24 N 9.02 5.25 0.00 2.87 2.88 0.00 0.00 6.61 6.97 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 25 I 9.10 4.60 2.09 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.91 1.09 0.00 0.00 26 H 9.60 5.28 0.00 3.02 3.15 0.00 5.75 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.47 4.40 1.86 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 0.80 0.00 0.00 0.01 0.00 0.00 28 N 9.99 3.89 0.00 2.81 2.85 0.00 0.00 7.15 8.46 0.00 0.00 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 G 8.51 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 30 V 7.41 4.34 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 0.87 0.00 0.00 0.93 0.00 0.00 31 L 8.53 3.67 0.00 1.45 1.49 0.88 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 32 H 9.15 4.78 0.00 3.12 3.28 0.00 5.87 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 C 7.73 4.63 0.00 3.00 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 34 R 8.84 5.22 0.00 1.81 1.88 0.00 3.24 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 35 V 8.95 5.03 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 0.81 0.00 0.00 1.20 0.00 0.00 36 R 9.31 5.20 0.00 2.05 2.20 0.00 2.22 0.00 0.00 2.87 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.58 0.00 37 Y 9.28 4.20 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 38 S 8.43 4.18 0.00 4.10 4.20 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 39 Q 8.10 4.01 0.00 2.52 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.84 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 40 L 7.85 3.76 0.00 1.83 1.82 0.99 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 41 L 7.92 2.70 0.00 1.12 1.49 0.71 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 42 G 7.81 3.43 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 0.00 43 L 7.54 3.68 0.00 1.09 1.40 0.73 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 44 H 7.80 4.00 0.00 2.53 2.50 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.05 3.80 0.00 2.03 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 0.00 2.24 2.30 0.00 46 Q 8.03 3.91 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 47 L 8.08 4.12 0.00 1.88 1.82 0.99 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.20 3.85 0.00 1.75 2.06 0.00 3.22 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 49 K 7.75 3.86 0.00 1.89 1.80 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.63 7.81 50 E 7.99 3.87 0.00 1.44 1.13 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 2.13 2.28 0.00 51 Y 8.24 4.70 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 52 G 7.92 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 53 A 7.64 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 54 N 7.95 4.47 0.00 2.73 2.87 0.00 0.00 6.59 7.68 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 55 V 9.41 4.21 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 0.67 0.00 0.00 0.93 0.00 0.00 56 L 7.49 4.49 0.00 1.76 1.74 0.87 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.46 0.00 2.19 1.97 0.00 3.52 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.87 0.00 58 A 8.42 4.17 1.29 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 0.00 0.00 59 F 8.50 4.15 0.00 2.21 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 60 P 0.00 4.08 0.00 1.67 1.77 0.00 2.20 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.79 0.00 61 P 0.00 4.70 0.00 2.20 2.07 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 62 K 8.62 4.07 0.00 1.82 1.85 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.75 1.67 7.81 63 K 8.20 4.65 0.00 1.66 1.71 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.22 1.30 7.81 64 L 8.29 4.33 0.00 1.03 1.11 0.84 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 65 F 7.52 4.93 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 66 S 8.82 4.22 0.00 4.01 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 67 L 8.34 4.43 0.00 1.65 1.65 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.75 4.19 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 1.20 0.00 0.00 69 P 0.00 4.20 0.00 2.17 2.14 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 70 A 7.96 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 71 E 8.16 3.90 0.00 2.30 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 2.33 2.32 0.00 72 V 8.14 3.64 2.25 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 0.97 0.00 0.00 0.99 0.00 0.00 73 E 8.34 4.01 0.00 2.11 2.23 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 2.33 2.35 0.00 74 Q 8.31 3.93 0.00 2.16 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.49 2.36 0.00 75 R 8.31 3.82 0.00 1.92 2.13 0.00 3.18 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.49 0.00 76 R 8.62 3.97 0.00 2.25 2.25 0.00 3.41 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.96 0.00 77 E 8.19 4.03 0.00 2.27 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 2.36 2.52 0.00 78 Q 8.23 4.00 0.00 2.14 2.06 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 2.36 2.52 0.00 79 L 8.33 3.87 0.00 1.47 1.62 0.24 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.28 4.03 0.00 2.22 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 2.40 2.48 0.00 81 K 8.10 4.17 0.00 1.90 1.87 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.63 7.81 82 Y 8.35 3.97 0.00 3.09 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 83 M 8.66 4.10 0.00 2.15 2.27 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 3.18 0.00 84 Q 8.28 3.88 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.61 2.72 0.00 85 A 7.80 3.85 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 86 V 7.30 3.20 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.19 0.00 0.00 87 R 7.64 3.56 0.00 1.53 1.79 0.00 3.24 0.00 0.00 3.36 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 88 Q 7.74 4.20 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.61 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 89 D 7.11 4.33 0.00 2.54 2.40 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 90 P 0.00 4.13 0.00 2.00 2.06 0.00 3.63 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 91 L 7.76 3.92 0.00 1.61 1.54 0.89 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 92 L 8.18 3.55 0.00 1.42 1.25 0.70 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 93 G 8.05 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 0.00 0.00 0.00 94 S 7.37 4.59 0.00 4.07 4.05 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 95 S 7.51 4.39 0.00 4.29 4.12 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 96 E 8.87 4.09 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 2.42 2.51 0.00 97 T 8.00 3.95 4.39 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 0.00 0.00 0.00 1.28 0.00 0.00 98 F 8.18 4.28 0.00 3.06 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 99 N 8.56 4.44 0.00 2.96 2.92 0.00 0.00 6.87 6.98 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 0.00 100 S 8.70 4.16 0.00 4.05 4.39 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 0.00 0.00 0.00 0.00 101 F 8.13 4.06 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 0.00 102 L 7.95 3.93 0.00 1.86 1.76 0.58 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 103 R 8.18 3.89 0.00 2.03 1.96 0.00 3.13 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 104 R 8.09 3.80 0.00 1.82 1.82 0.00 3.08 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 1.52 1.58 0.00 105 A 7.97 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 Q 7.96 3.99 0.00 1.86 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.22 2.20 0.00 107 Q 7.77 3.95 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.62 0.00 108 E 8.04 4.10 0.00 1.88 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 2.30 2.57 0.00 109 T 7.75 4.01 4.34 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 1.18 0.00 0.00 110 Q 8.33 4.22 0.00 1.94 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.55 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.