NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 D 4.6486 8.2233 120.3277 53.0925 40.6618 175.3865 5 L 4.2550 8.4195 117.2878 55.2579 41.5970 176.5514 6 S 4.3751 8.3946 113.7824 59.9535 63.8858 173.9641 7 G 4.0877 7.2623 109.0905 44.8568 0.0000 172.6352 8 T 3.9532 8.4073 116.8341 63.5539 69.2221 174.1572 9 W 4.9598 8.2859 125.8088 55.7347 31.4147 174.7836 10 Y 5.1650 9.2378 122.1299 56.4922 40.1506 175.3870 11 V 5.1179 8.7657 116.4699 59.7402 36.9482 174.0455 12 L 5.4740 8.4790 120.3990 53.5054 44.3344 175.8266 13 E 4.9767 8.9600 119.1443 56.0292 32.7907 173.3499 14 G 4.2606 9.5079 114.4890 45.9981 0.0000 176.8820 15 D 4.5965 6.8402 127.0207 52.4599 41.9325 173.4491 16 P 4.2933 0.0000 0.0000 64.7752 31.2527 177.2607 17 G 3.9247 8.7697 112.2373 45.3630 0.0000 173.5021 18 E 4.2742 7.9939 121.5075 56.1251 28.5958 174.9973 19 H 5.3260 8.3372 121.4047 53.9468 30.7726 174.5514 20 L 4.1946 8.1805 123.1928 55.3674 42.5498 176.3347 21 V 4.5850 8.5157 125.8016 61.1348 33.9330 174.4436 22 V 4.4570 9.4184 128.5881 61.1170 34.5236 174.1297 23 E 4.9826 8.7445 126.6057 55.2332 30.4939 174.9988 24 A 4.4903 8.8264 126.2397 51.5894 22.4693 175.2846 25 L 3.3351 9.4904 116.2973 55.8880 39.2269 176.3028 26 G 3.9223 9.9694 104.4876 45.4659 0.0000 173.0811 27 E 4.5193 7.8159 116.8083 55.1054 32.6001 173.9275 28 R 4.5683 8.3490 118.3349 55.7842 30.4484 176.4168 29 L 5.1954 9.3573 124.4457 52.1734 45.4637 175.9371 30 S 5.0462 8.3002 115.5392 56.5322 66.2352 172.2361 31 G 3.6703 8.5919 105.1140 44.3929 0.0000 172.2986 32 I 4.7499 7.2181 122.3343 58.8195 41.1183 174.2692 33 W 4.9996 9.4284 126.2779 55.2161 32.0601 176.4075 34 T 4.6186 9.7731 120.4873 64.0628 68.4683 175.4685 35 S 4.5687 7.8248 116.8851 55.8875 66.8938 174.8568 36 R 3.0457 7.6123 124.6655 59.3206 29.6921 178.6251 37 E 3.8758 7.8025 117.8821 59.2720 29.5331 179.1314 38 L 3.9915 8.2675 119.2266 57.6966 41.6328 179.3855 39 A 2.7121 7.8168 120.7416 54.7419 18.2501 179.6091 40 E 3.7575 8.0420 116.9381 59.2727 29.5864 179.3720 41 A 3.8264 7.9420 120.8659 54.9378 18.2177 179.3865 42 F 3.8989 7.7624 117.9034 61.3821 39.7629 176.6527 43 L 3.9471 8.0533 119.9547 58.1727 41.5928 178.7502 44 A 3.9642 8.0901 119.9747 55.1157 18.3821 178.4250 45 H 4.5727 7.5332 111.5915 56.1496 30.4553 175.3674 46 H 4.6595 7.4607 116.9516 53.5658 27.9368 170.6665 47 P 4.3301 0.0000 0.0000 62.8721 32.4639 176.4870 48 H 4.3532 8.5974 112.5525 57.1986 25.9412 175.7409 49 L 4.5202 7.4136 117.1733 53.8350 42.8011 175.8309 50 G 3.5558 7.6816 109.0275 45.7386 0.0000 172.7279 *52 R 4.4666 7.4082 121.3081 56.3705 32.5062 175.1028 53 V 4.7948 8.2201 119.9173 60.8552 33.5066 175.4531 54 S 4.9051 9.2271 118.0161 56.8199 67.0679 172.6053 55 A 4.8146 8.6544 124.4902 50.4907 20.9120 177.1721 56 L 4.4004 8.6271 123.0540 53.2479 41.7567 177.4304 57 E 3.7258 8.4284 122.1724 58.8780 30.4031 178.0717 58 S 4.2570 7.6335 113.6868 57.6700 63.9936 175.0947 59 R 3.8292 8.3434 118.9240 58.2108 29.3080 178.6067 60 A 4.0298 7.4792 121.8409 55.0388 18.4271 179.4998 61 L 4.0520 7.8264 117.4819 57.4604 41.5536 179.8734 62 K 4.0203 7.6253 118.3537 59.4281 31.9742 179.0701 63 E 3.9941 8.1832 118.7258 59.3456 29.2960 179.2697 64 A 4.0108 7.9854 120.4455 55.1798 18.3257 179.1479 65 Y 4.0892 7.8950 118.0897 60.9555 38.8395 178.0930 66 L 3.8085 8.4281 120.0271 57.4898 41.4260 179.6209 67 R 3.9595 7.9812 117.5838 58.7304 30.1629 178.3313 68 A 4.1250 7.8817 120.1238 55.0580 18.5934 179.2202 69 L 4.0607 7.8390 117.7405 57.6976 41.5611 180.8981 70 G 3.8027 7.4175 103.8379 45.1345 0.0000 174.6319 *72 L 4.2257 7.7783 118.5487 52.8800 43.7145 176.3469 73 Q 3.3943 7.9799 118.6781 57.3764 27.5645 173.9249 74 V 4.3304 8.0851 117.0105 61.4667 33.1458 174.4639 75 E 4.6294 8.6592 125.2865 56.3098 30.9198 175.0914 76 A 5.1259 7.5436 120.9350 50.4204 23.0516 174.9137 77 V 4.3104 8.4104 120.9073 60.2687 35.9174 175.0229 *79 V 3.6601 8.3981 119.2053 63.6569 32.3484 175.2706 80 D 4.2729 7.9134 128.2283 55.3997 38.7983 173.6519 81 Y 4.2547 7.3676 118.4238 57.5866 39.9006 174.0760 82 R 4.4887 7.1025 120.3985 55.0208 31.8348 173.8043 83 P 4.0708 0.0000 0.0000 65.7901 31.1835 178.3994 84 G 3.6874 7.8712 103.1403 46.3084 0.0000 173.5251 85 T 3.7479 7.1382 115.1307 62.8719 67.6448 173.6122 86 H 4.5660 8.5593 124.5092 57.7614 29.4610 175.5086 87 R 4.5180 7.4650 116.5275 54.5936 32.6786 173.9332 88 A 4.0726 8.6182 127.7376 52.4695 18.6145 177.2077 89 Q 4.3729 8.5893 123.3122 54.8951 29.1057 175.0039 90 V 4.5099 8.1828 123.8561 60.8814 33.4923 174.6590 91 A 4.7580 8.8094 128.9221 50.1454 22.5358 175.0529 92 R 4.5747 8.3380 119.8541 55.2009 31.8974 177.6737 93 V 3.5008 8.6214 123.3585 66.3813 31.0165 178.4575 94 K 3.8568 8.1580 117.3959 60.0557 31.8668 178.6682 95 D 4.2165 7.8912 118.1644 57.2087 40.9596 178.6762 96 L 4.1648 8.0257 119.5255 57.6609 41.3622 179.3706 97 L 4.2131 8.4039 118.3404 56.9573 41.4750 178.6418 98 E 4.1502 7.6515 119.5547 58.9374 29.4620 178.2892 99 E 4.0318 7.9449 117.4212 59.6385 29.7083 179.0690 100 V 3.6503 7.4825 116.1837 65.9685 31.5223 175.9289 101 R 4.1172 7.5310 119.8277 56.3719 29.9858 176.0683 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 4 D 8.22 4.65 0.00 2.88 2.95 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 5 L 8.42 4.25 0.00 2.00 2.02 0.63 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.39 4.38 0.00 4.00 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 7 G 7.26 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 8 T 8.41 3.95 4.19 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 0.57 0.00 0.00 9 W 8.29 4.96 0.00 3.08 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 10 Y 9.24 5.17 0.00 3.18 2.95 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 11 V 8.77 5.12 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 0.39 0.00 0.00 0.77 0.00 0.00 12 L 8.48 5.47 0.00 1.80 1.68 0.75 0.92 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 13 E 8.96 4.98 0.00 2.01 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 2.27 2.29 0.00 14 G 9.51 4.26 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 0.00 15 D 6.84 4.60 0.00 2.75 2.63 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 0.00 0.00 0.00 0.00 16 P 0.00 4.29 0.00 2.04 2.05 0.00 3.71 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 2.04 2.12 0.00 17 G 8.77 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 18 E 7.99 4.27 0.00 2.07 2.13 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 2.33 2.31 0.00 19 H 8.34 5.33 0.00 3.19 3.37 0.00 5.76 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.18 4.19 0.00 1.88 1.76 1.04 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.52 4.58 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 0.84 0.00 0.00 1.01 0.00 0.00 22 V 9.42 4.46 2.06 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 0.91 0.00 0.00 1.01 0.00 0.00 23 E 8.74 4.98 0.00 1.88 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 2.22 2.28 0.00 24 A 8.83 4.49 1.18 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 0.00 0.00 0.00 25 L 9.49 3.34 0.00 1.73 1.71 0.88 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 26 G 9.97 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 27 E 7.82 4.52 0.00 2.11 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 2.16 2.22 0.00 28 R 8.35 4.57 0.00 1.81 1.90 0.00 3.13 0.00 0.00 3.45 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 29 L 9.36 5.20 0.00 1.42 1.39 0.85 0.59 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 30 S 8.30 5.05 0.00 3.83 3.70 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 31 G 8.59 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 0.00 0.00 0.00 32 I 7.22 4.75 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 1.04 0.58 0.37 0.00 0.00 33 W 9.43 5.00 0.00 3.49 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 34 T 9.77 4.62 4.48 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 1.39 0.00 0.00 35 S 7.82 4.57 0.00 3.97 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 36 R 7.61 3.05 0.00 1.02 1.58 0.00 3.10 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.84 0.00 37 E 7.80 3.88 0.00 1.99 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 2.34 2.31 0.00 38 L 8.27 3.99 0.00 1.98 2.01 1.07 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.82 2.71 1.20 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 0.00 0.00 40 E 8.04 3.76 0.00 2.14 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 0.00 2.24 2.39 0.00 41 A 7.94 3.83 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 42 F 7.76 3.90 0.00 2.84 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 43 L 8.05 3.95 0.00 1.83 1.68 0.88 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.09 3.96 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 45 H 7.53 4.57 0.00 3.06 3.12 0.00 5.62 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 H 7.46 4.66 0.00 2.68 3.05 0.00 5.85 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.33 0.00 1.68 1.75 0.00 3.59 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.11 0.00 48 H 8.60 4.35 0.00 3.30 3.35 0.00 5.66 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.41 4.52 0.00 1.82 1.72 1.03 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 50 G 7.68 3.56 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 0.00 0.00 0.00 *52 R 7.41 4.47 0.00 1.92 1.92 0.00 3.29 0.00 0.00 3.39 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 53 V 8.22 4.79 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 0.67 0.00 0.00 1.03 0.00 0.00 54 S 9.23 4.91 0.00 3.76 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 55 A 8.65 4.81 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.63 4.40 0.00 1.37 1.45 0.81 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.43 3.73 0.00 1.85 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 0.00 2.26 2.24 0.00 58 S 7.63 4.26 0.00 3.93 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 59 R 8.34 3.83 0.00 1.90 2.07 0.00 3.12 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 60 A 7.48 4.03 1.34 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 0.00 0.00 0.00 61 L 7.83 4.05 0.00 1.81 1.68 0.88 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.63 4.02 0.00 1.61 1.23 0.00 0.96 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.37 1.13 7.81 63 E 8.18 3.99 0.00 2.02 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 2.48 0.00 64 A 7.99 4.01 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 Y 7.90 4.09 0.00 3.16 3.34 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 0.00 66 L 8.43 3.81 0.00 1.91 1.73 1.24 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 67 R 7.98 3.96 0.00 1.92 1.97 0.00 3.32 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.79 0.00 68 A 7.88 4.12 1.39 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 69 L 7.84 4.06 0.00 1.63 1.71 0.61 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 70 G 7.42 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 *72 L 7.78 4.23 0.00 1.79 1.76 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 73 Q 7.98 3.39 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.64 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 74 V 8.09 4.33 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 0.85 0.00 0.00 0.89 0.00 0.00 75 E 8.66 4.63 0.00 1.91 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 2.27 2.25 0.00 76 A 7.54 5.13 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 77 V 8.41 4.31 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 0.78 0.00 0.00 0.81 0.00 0.00 *79 V 8.40 3.66 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 0.62 0.00 0.00 0.68 0.00 0.00 80 D 7.91 4.27 0.00 2.94 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 81 Y 7.37 4.25 0.00 2.71 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 82 R 7.10 4.49 0.00 1.99 2.09 0.00 3.05 0.00 0.00 3.38 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 83 P 0.00 4.07 0.00 2.04 2.13 0.00 3.70 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 84 G 7.87 3.69 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 0.00 0.00 0.00 85 T 7.14 3.75 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 1.14 0.00 0.00 86 H 8.56 4.57 0.00 3.20 3.33 0.00 5.79 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 R 7.47 4.52 0.00 1.73 1.76 0.00 3.31 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 88 A 8.62 4.07 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 89 Q 8.59 4.37 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.65 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 90 V 8.18 4.51 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 0.70 0.00 0.00 0.87 0.00 0.00 91 A 8.81 4.76 1.06 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 0.00 0.00 0.00 0.00 0.00 0.00 92 R 8.34 4.57 0.00 1.74 1.80 0.00 3.12 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 93 V 8.62 3.50 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 0.82 0.00 0.00 0.90 0.00 0.00 94 K 8.16 3.86 0.00 1.82 1.87 0.00 1.69 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.54 7.81 95 D 7.89 4.22 0.00 2.85 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 96 L 8.03 4.16 0.00 1.88 1.87 0.64 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.40 4.21 0.00 1.81 1.75 0.93 0.92 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 98 E 7.65 4.15 0.00 1.97 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 2.32 2.35 0.00 99 E 7.94 4.03 0.00 2.16 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 0.00 2.40 2.59 0.00 100 V 7.48 3.65 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 0.99 0.00 0.00 101 R 7.53 4.12 0.00 2.05 1.82 0.00 3.25 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 * Residues marked with a * may have inaccurate shift predictions.