NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6069 8.3001 118.7913 54.4080 35.0371 174.8851 2 A 4.3731 7.3631 122.9567 51.4301 24.0989 175.5883 3 E 4.7831 9.4555 125.1188 56.1299 33.3357 172.8697 4 P 4.4454 0.0000 0.0000 62.8173 30.3318 176.8635 5 G 3.8076 8.0979 101.4725 45.8541 0.0000 175.0412 6 I 3.3801 7.8840 121.9288 64.6644 37.2378 177.3041 7 D 4.5503 8.1806 117.1912 57.7036 40.3617 178.8958 8 K 4.1314 8.1221 118.6320 59.3801 32.0366 179.4490 9 L 3.9859 7.5872 118.5582 57.8860 41.5958 179.1969 10 F 4.8054 8.0477 115.8834 59.5714 38.9521 177.4586 11 G 3.8349 7.8251 105.5045 48.3347 0.0000 174.7251 12 M 3.6747 7.6762 117.7043 59.1286 32.6511 178.4755 13 V 3.7260 7.5637 113.9332 61.9857 32.8131 175.6053 14 D 4.5369 8.3297 118.5511 55.0660 40.4602 176.9718 15 S 4.4275 7.8516 120.8308 56.3128 62.2945 174.7175 16 K 4.0634 8.6227 130.5547 59.6975 32.3686 177.2888 17 Y 4.0857 8.3905 115.1127 59.4115 37.9360 176.5179 18 R 3.9568 9.7823 120.7415 57.9324 29.8666 177.6966 19 L 3.8831 7.8062 118.9691 58.7554 42.5139 179.4594 20 T 3.8548 7.5000 114.6343 66.8215 68.4712 176.6283 21 V 3.6150 7.9211 119.8687 65.9778 31.5253 178.2466 22 V 3.6489 8.1995 118.3610 66.1617 31.4699 178.0659 23 V 3.6320 8.2637 118.1760 65.9718 31.2385 177.7292 24 A 3.9485 7.8696 120.1554 55.1099 18.1078 179.5129 25 K 4.1287 7.9792 118.2195 59.5581 32.6401 178.1544 26 R 3.7408 8.5353 117.9992 60.3097 29.5631 177.7561 27 A 4.0192 8.2672 122.6512 54.8115 19.4171 178.3625 28 Q 4.2732 8.0744 119.6933 54.3160 26.7418 176.1642 29 Q 5.3359 7.1661 129.9515 56.9754 31.4921 173.3739 30 L 4.7332 6.8036 127.5509 54.2728 40.4461 178.9887 31 L 4.3020 8.4902 113.7913 54.9887 40.6888 177.7823 32 R 4.1952 9.2489 118.4768 57.6834 29.6546 175.6918 33 H 4.7451 7.4175 114.0716 57.4175 32.8578 179.4718 34 R 4.5427 7.9260 127.8900 55.5886 29.0623 182.1723 *35 F 5.0794 8.1901 128.5974 59.4692 39.6422 173.7232 36 K 4.5047 7.6767 122.1998 54.3690 30.4003 181.5872 37 N 5.0302 7.4159 112.7409 53.1611 41.2193 175.4821 38 T 4.4023 7.5611 114.6462 63.6435 68.9900 174.3912 39 V 4.4725 8.2475 117.7008 63.0559 34.3030 174.8618 40 L 4.8222 8.2193 120.0169 56.0616 42.0712 178.0047 41 E 4.4214 8.2128 114.5389 56.5533 30.1226 180.4823 42 P 4.4161 0.0000 0.0000 66.6648 31.5311 177.1549 43 E 5.3593 7.3655 116.5703 55.3662 32.4471 178.0349 44 E 4.6885 7.9668 118.6171 57.3502 29.9885 176.8586 45 R 4.2242 7.5931 116.5609 54.5824 31.5901 176.5812 46 P 4.0328 0.0000 0.0000 61.9961 31.5644 175.8760 47 K 5.0294 8.1256 121.3857 54.9098 36.9065 177.0793 48 M 4.4754 7.2197 119.6737 54.6327 31.0837 178.4180 49 R 4.6608 8.2957 115.3254 56.2871 33.4447 173.6039 50 T 4.1755 9.3745 121.3127 65.2200 72.8439 177.9359 51 L 3.1183 8.3172 125.2746 56.8105 41.9834 173.4897 52 E 4.5523 8.6370 116.5633 55.6418 30.4946 178.2971 53 G 3.9728 7.8768 104.6447 45.1577 0.0000 172.9824 54 L 4.1412 8.3594 124.0982 55.3373 42.8924 176.0420 *55 Y 5.2067 8.8492 132.4794 58.0821 38.3585 166.8921 56 D 5.3236 8.0936 123.7712 52.1793 40.6824 174.3341 57 D 4.7880 8.7430 123.5729 51.2419 40.4769 175.6818 58 P 4.2068 0.0000 0.0000 65.1295 31.8675 175.3479 59 N 4.2725 7.9391 115.5273 53.7485 38.4871 175.1236 60 A 4.0925 8.8198 128.4657 55.5123 18.6468 179.0169 61 V 3.6278 8.0130 110.4432 65.8604 31.4338 177.7437 62 T 3.7533 7.8182 112.5674 66.9454 67.4540 175.8593 63 W 4.1996 8.7488 119.1189 61.1953 29.5026 178.1958 64 A 3.8090 8.2019 117.6236 55.8885 18.1689 179.1132 65 M 4.0571 8.6998 116.0923 58.2060 32.0449 179.1291 66 K 4.1970 7.5492 116.9382 58.2892 32.9089 178.1742 67 E 4.3107 9.6099 120.1406 57.1752 29.1882 177.6063 68 L 4.2779 8.5127 119.8739 56.7715 42.5347 177.2202 69 L 3.9886 7.3555 117.2319 54.6901 42.5558 177.2758 70 T 4.4229 8.0137 118.3285 64.2031 67.0374 175.8468 71 G 4.0138 9.0534 113.9710 47.7836 0.0000 173.6651 72 R 4.0138 7.5719 117.2579 56.1384 30.8982 176.3354 73 L 3.8890 9.7457 117.0485 56.5093 40.3360 173.8315 *74 F 4.0371 7.1527 116.7163 55.7991 41.7674 174.3557 75 F 4.8546 7.6273 108.5013 57.1843 40.8792 173.1499 76 G 4.3861 8.0895 117.0175 46.8739 0.0000 172.5298 77 E 4.5646 9.0718 122.4710 55.3711 29.6471 174.4162 78 N 4.4604 7.8018 115.9813 54.5220 39.5622 175.8827 79 L 3.6724 8.4321 124.4222 55.8784 39.3032 180.7599 80 V 2.6348 6.6879 111.0223 61.2443 33.8465 178.2534 81 P 4.4572 0.0000 0.0000 63.7316 31.8513 177.4114 82 E 4.0470 8.7628 124.7013 61.4871 29.5353 175.8731 83 D 4.6595 8.0625 118.0290 57.7461 40.5552 178.3249 84 R 4.1271 7.7351 116.0181 57.4789 29.9795 178.0545 85 L 4.2192 7.9568 123.1561 57.3787 42.4962 178.0484 86 Q 4.6471 7.6184 120.1720 57.7505 30.2949 183.1729 87 K 4.2779 8.5372 126.3550 60.9893 31.2623 184.6187 88 E 4.3236 7.9207 118.3534 60.6615 29.2870 180.8145 89 M 4.3624 8.0140 116.8766 58.3506 31.7188 178.1953 90 E 3.9327 8.1981 119.8667 58.9720 29.9183 178.2555 91 R 4.2740 7.4559 117.0415 57.6649 30.3073 176.0185 92 L 4.3218 7.1093 119.0047 54.1069 43.1701 177.0307 *93 Y 3.9599 6.8783 120.7297 55.5842 35.6198 171.2727 94 P 4.7734 0.0000 0.0000 60.6395 31.2764 177.0040 95 T 3.4706 8.8071 115.5094 60.5271 68.0303 170.6387 96 E 4.8992 8.4756 118.5316 56.4287 32.0976 176.4068 97 E 4.9273 8.5854 111.5077 56.1922 33.8905 172.2181 98 E 4.3036 8.4889 119.1490 56.7409 30.6524 175.3297 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 8.30 4.61 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.12 0.00 2 A 7.36 4.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 E 9.46 4.78 0.00 1.87 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 2.17 2.17 0.00 4 P 0.00 4.45 0.00 1.98 2.00 0.00 3.61 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.02 0.00 5 G 8.10 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 0.00 0.00 0.00 6 I 7.88 3.38 1.80 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 1.54 0.88 0.36 0.00 0.00 7 D 8.18 4.55 0.00 2.66 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 8 K 8.12 4.13 0.00 1.89 1.86 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.57 7.81 9 L 7.59 3.99 0.00 1.46 1.61 0.77 1.13 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 10 F 8.05 4.81 0.00 3.14 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 11 G 7.83 3.83 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 0.00 0.00 0.00 12 M 7.68 3.67 0.00 2.19 2.23 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.62 0.00 13 V 7.56 3.73 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 0.60 0.00 0.00 1.10 0.00 0.00 14 D 8.33 4.54 0.00 2.76 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 15 S 7.85 4.43 0.00 3.84 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 16 K 8.62 4.06 0.00 1.56 1.76 0.00 1.38 0.00 0.00 1.43 0.00 0.00 2.71 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.24 0.72 7.81 17 Y 8.39 4.09 0.00 3.10 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 18 R 9.78 3.96 0.00 1.89 1.86 0.00 3.05 0.00 0.00 2.71 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.45 0.00 19 L 7.81 3.88 0.00 1.83 1.79 0.90 0.42 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 20 T 7.50 3.85 4.44 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 1.22 0.00 0.00 21 V 7.92 3.61 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 1.03 0.00 0.00 1.07 0.00 0.00 22 V 8.20 3.65 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 1.27 0.00 0.00 1.12 0.00 0.00 23 V 8.26 3.63 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 0.97 0.00 0.00 0.97 0.00 0.00 24 A 7.87 3.95 1.48 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 25 K 7.98 4.13 0.00 1.81 1.90 0.00 1.73 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.65 1.48 7.81 26 R 8.54 3.74 0.00 2.12 2.03 0.00 3.23 0.00 0.00 3.19 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 27 A 8.27 4.02 1.45 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 0.00 0.00 28 Q 8.07 4.27 0.00 2.25 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 29 Q 7.17 5.34 0.00 2.18 2.21 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 2.10 2.17 0.00 30 L 6.80 4.73 0.00 1.96 0.98 0.93 0.31 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 31 L 8.49 4.30 0.00 1.44 1.56 0.45 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 32 R 9.25 4.20 0.00 1.86 2.33 0.00 2.94 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 33 H 7.42 4.75 0.00 3.09 3.09 0.00 5.70 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.93 4.54 0.00 1.83 1.24 0.00 3.38 0.00 0.00 3.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 *35 F 8.19 5.08 0.00 2.33 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 0.00 0.00 0.00 0.00 36 K 7.68 4.50 0.00 1.76 1.66 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.28 1.01 7.81 37 N 7.42 5.03 0.00 2.57 2.74 0.00 0.00 7.25 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 38 T 7.56 4.40 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 1.70 0.00 0.00 39 V 8.25 4.47 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 0.82 0.00 0.00 1.01 0.00 0.00 40 L 8.22 4.82 0.00 1.78 1.85 0.99 1.10 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 41 E 8.21 4.42 0.00 1.99 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 2.23 1.86 0.00 42 P 0.00 4.42 0.00 2.18 2.22 0.00 3.84 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 43 E 7.37 5.36 0.00 1.98 1.83 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 1.97 1.66 0.00 44 E 7.97 4.69 0.00 2.11 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 2.19 2.24 0.00 45 R 7.59 4.22 0.00 1.84 1.74 0.00 3.27 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.20 0.00 46 P 0.00 4.03 0.00 0.86 1.43 0.00 2.20 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 1.48 0.00 47 K 8.13 5.03 0.00 1.63 1.63 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.26 1.49 7.81 48 M 7.22 4.48 0.00 2.04 1.59 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 2.52 2.48 0.00 49 R 8.30 4.66 0.00 1.80 1.81 0.00 3.28 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 1.37 1.44 0.00 50 T 9.37 4.18 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 1.21 0.00 0.00 51 L 8.32 3.12 0.00 1.74 1.77 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.64 4.55 0.00 1.92 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 2.21 2.11 0.00 53 G 7.88 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 0.00 0.00 0.00 54 L 8.36 4.14 0.00 1.63 1.66 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 *55 Y 8.85 5.21 0.00 2.35 2.31 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 56 D 8.09 5.32 0.00 2.70 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 57 D 8.74 4.79 0.00 2.87 2.85 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 58 P 0.00 4.21 0.00 2.09 2.21 0.00 3.74 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 59 N 7.94 4.27 0.00 2.88 2.82 0.00 0.00 6.91 8.03 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 60 A 8.82 4.09 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 61 V 8.01 3.63 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 0.85 0.00 0.00 0.96 0.00 0.00 62 T 7.82 3.75 4.52 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 0.00 0.00 0.00 1.15 0.00 0.00 63 W 8.75 4.20 0.00 3.47 3.38 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 64 A 8.20 3.81 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 65 M 8.70 4.06 0.00 2.03 2.27 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.56 0.00 66 K 7.55 4.20 0.00 1.77 1.78 0.00 1.45 0.00 0.00 1.46 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.52 7.81 67 E 9.61 4.31 0.00 2.26 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 0.00 2.35 2.25 0.00 68 L 8.51 4.28 0.00 1.89 1.73 1.06 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.36 3.99 0.00 1.92 1.66 0.92 1.00 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 70 T 8.01 4.42 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 71 G 9.05 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 0.00 0.00 0.00 0.00 72 R 7.57 4.01 0.00 1.79 1.90 0.00 3.42 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 73 L 9.75 3.89 0.00 1.60 1.58 0.97 0.65 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 *74 F 7.15 4.04 0.00 2.25 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 0.00 0.00 0.00 75 F 7.63 4.85 0.00 2.92 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 76 G 8.09 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 0.00 0.00 0.00 77 E 9.07 4.56 0.00 1.91 1.93 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 2.20 2.33 0.00 78 N 7.80 4.46 0.00 2.79 2.70 0.00 0.00 7.21 6.66 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 79 L 8.43 3.67 0.00 1.88 1.87 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 80 V 6.69 2.63 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 0.70 0.00 0.00 0.93 0.00 0.00 81 P 0.00 4.46 0.00 2.34 2.28 0.00 3.78 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 2.16 2.03 0.00 82 E 8.76 4.05 0.00 1.99 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 2.32 1.98 0.00 83 D 8.06 4.66 0.00 2.68 2.71 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 0.00 0.00 0.00 0.00 84 R 7.74 4.13 0.00 1.85 1.96 0.00 3.12 0.00 0.00 3.26 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 85 L 7.96 4.22 0.00 1.82 1.93 0.93 0.59 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 86 Q 7.62 4.65 0.00 2.15 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.58 0.00 0.00 0.00 0.00 0.00 2.17 2.19 0.00 87 K 8.54 4.28 0.00 1.72 1.85 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.33 7.81 88 E 7.92 4.32 0.00 1.99 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 2.22 0.00 89 M 8.01 4.36 0.00 1.98 2.32 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.80 0.00 90 E 8.20 3.93 0.00 1.91 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 2.30 2.29 0.00 91 R 7.46 4.27 0.00 1.86 2.12 0.00 3.25 0.00 0.00 3.21 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 92 L 7.11 4.32 0.00 1.57 1.54 0.91 0.73 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 *93 Y 6.88 3.96 0.00 2.37 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 0.00 0.00 0.00 0.00 94 P 0.00 4.77 0.00 2.05 1.54 0.00 3.86 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.86 0.00 95 T 8.81 3.47 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 96 E 8.48 4.90 0.00 1.92 1.65 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 2.11 1.83 0.00 97 E 8.59 4.93 0.00 1.92 1.68 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 2.11 1.86 0.00 98 E 8.49 4.30 0.00 1.89 1.80 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 2.21 2.30 0.00 * Residues marked with a * may have inaccurate shift predictions.