NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4250 8.3231 116.7990 57.8889 64.2625 173.2299 3 G 3.6607 8.4532 111.7987 44.4020 0.0000 169.8910 4 E 4.0526 8.4560 121.3515 55.9206 31.0882 174.3867 5 I 4.6275 8.0831 117.9155 58.7353 40.7685 175.1992 6 S 4.7396 8.5875 116.1809 57.1463 65.8942 174.4272 7 Y 4.2752 8.6367 122.4334 61.0524 38.1686 178.1518 8 A 4.0919 8.0854 120.2539 55.2803 18.5322 178.7690 9 D 4.4355 8.0445 117.3473 57.5325 40.8941 178.8690 10 F 4.1940 8.0450 121.0253 61.3002 39.1941 177.0463 11 E 3.5898 7.8126 116.9808 58.6091 29.2153 179.0162 12 K 4.0227 7.3915 117.4585 57.1311 32.2868 177.0097 13 V 3.7158 6.8180 119.6856 61.4760 32.2882 174.6616 14 D 4.5688 8.5446 127.6016 52.7018 42.3365 173.9653 15 I 4.8219 7.8522 126.3927 59.4290 39.6527 175.0884 16 R 5.2896 8.7612 125.3337 54.2140 34.4461 174.8518 17 V 4.6731 8.5056 121.0534 61.1622 33.5955 175.3615 18 G 3.9330 8.8615 109.5405 45.1081 0.0000 170.8552 19 T 5.0321 8.1231 115.9987 61.2402 71.2915 174.4837 20 I 4.1078 8.6866 128.2331 61.9010 37.4845 176.9390 21 V 4.3843 8.7516 120.4355 61.5917 33.4496 175.7981 22 E 4.8098 7.8863 120.3640 54.8342 33.1894 173.5922 23 A 5.2194 8.3521 126.7935 50.8359 22.3237 175.7772 24 V 4.6300 8.9204 115.3206 58.4823 36.4244 173.4307 25 P 4.5274 0.0000 0.0000 63.3562 32.0315 176.0626 26 F 5.0242 9.3348 125.2566 55.4154 39.2277 173.5191 27 P 4.2701 0.0000 0.0000 67.4154 32.3710 175.4993 28 E 4.6859 7.7770 112.5003 53.1992 27.7712 178.9539 *32 P 4.3460 0.0000 0.0000 63.7791 32.9076 174.0727 33 A 5.0951 8.5182 124.5537 50.5977 23.8112 174.3437 34 I 4.9543 8.7509 119.0345 59.5969 40.7653 175.4982 35 K 4.6503 8.8522 126.3591 55.6740 33.5287 176.3645 36 V 5.0067 9.2052 116.9289 59.5642 36.2255 174.4990 37 K 5.0804 8.7583 121.9242 54.8180 34.9972 175.3583 38 I 4.6946 8.7782 124.7354 59.4048 40.7994 174.2380 39 D 4.6447 9.0924 127.7447 53.2851 41.6092 175.6057 40 F 4.6824 8.9899 125.4295 57.3406 40.4184 177.3562 41 G 3.9273 8.8627 108.7657 44.1070 0.0000 173.1650 42 P 4.3262 0.0000 0.0000 65.3770 31.4332 178.1259 43 E 4.1968 8.2200 116.7066 58.3623 29.9420 177.4234 44 I 4.0580 7.9390 117.7591 61.3059 39.0190 176.8346 45 G 3.8387 8.4435 108.4901 44.6470 0.0000 171.3014 46 I 4.7603 8.1491 120.2534 60.8108 38.2380 175.8602 47 K 4.9748 9.1919 125.4383 54.6407 36.2508 175.5416 48 K 5.0836 9.4794 122.9417 55.8847 34.3628 175.6068 49 S 5.2658 9.2056 116.8929 57.5362 66.4995 172.7702 50 S 5.3335 8.7196 116.2927 56.9760 66.0722 173.0005 51 A 4.6240 8.8220 121.8403 50.6722 22.7985 176.2069 52 Q 4.8573 8.7597 120.7478 53.7462 26.3094 176.0602 53 I 4.7306 7.5039 113.8687 60.6790 38.6963 178.4915 54 T 4.3102 8.1290 112.1445 64.5140 69.4556 176.0808 55 V 3.6145 7.8944 121.7705 66.2210 31.6096 176.4444 56 H 4.4350 7.7710 113.3268 56.1994 29.2547 174.4442 57 Y 4.9287 7.3534 115.2595 55.7426 41.5798 174.8590 58 T 4.8162 8.3370 111.1073 58.6489 73.4183 173.0838 59 P 4.2533 0.0000 0.0000 66.1721 31.0621 178.7233 60 E 4.0292 8.1489 115.6681 59.2276 29.5663 178.8117 61 S 4.4384 7.9400 111.8400 59.8231 63.7334 175.8330 62 L 4.2744 7.6163 122.9137 56.0108 41.6793 177.1656 63 V 3.8664 7.0381 118.5051 64.1576 31.6771 175.7884 64 G 4.0556 9.0725 116.7257 45.1978 0.0000 173.9311 65 R 4.1719 8.0353 119.6474 56.1870 31.2649 175.9035 66 Q 4.8164 8.5447 122.0511 55.4983 30.0869 175.4325 67 V 4.6172 8.8241 115.8644 59.6457 36.6480 174.1553 68 L 5.3591 8.4696 120.9381 53.4068 44.3980 176.0812 69 G 4.5770 9.1271 108.7181 44.6512 0.0000 171.6960 70 V 4.2001 8.5365 123.0230 62.3568 32.1858 176.6937 71 V 4.0522 8.4559 121.2524 60.5530 32.5110 176.2410 72 N 4.8495 7.4326 117.9670 52.2705 37.7104 174.6355 73 F 4.8934 7.7202 116.3483 56.8104 40.3269 174.1690 74 P 4.4158 0.0000 0.0000 61.9692 31.7488 174.8548 75 P 4.7211 0.0000 0.0000 63.1873 32.3168 175.7400 76 R 4.7284 8.9948 119.5580 54.7052 34.8055 174.2161 77 Q 4.5787 8.7106 121.6168 55.4659 29.8935 176.5368 78 I 4.4395 9.3856 126.1733 59.9941 37.9419 176.9145 79 G 4.0024 8.0851 117.8636 46.0571 0.0000 171.8245 80 P 4.3951 0.0000 0.0000 63.7984 31.7820 176.0352 81 F 4.3536 8.0692 123.6583 57.3839 39.6948 174.2977 82 R 4.2342 7.6894 128.9694 54.8257 29.3863 174.8963 83 S 4.1776 8.5259 121.8643 57.9803 62.9445 174.1351 84 E 4.7157 9.1915 125.7041 56.6103 31.9425 176.5407 85 V 4.7222 7.6933 110.0806 59.4329 36.4248 174.7246 86 L 4.5205 8.4035 125.5832 54.4970 43.2155 175.6191 87 T 4.8285 8.5837 123.9543 63.0995 69.4246 174.5078 88 L 4.3767 9.0967 127.5682 54.4875 43.5943 176.6282 89 G 4.4321 7.7162 107.2947 46.2247 0.0000 172.0063 90 F 5.0847 9.1259 117.0400 55.4735 43.7463 174.3843 91 A 4.7602 8.7778 124.1541 51.9598 19.2939 177.8047 92 D 4.6605 9.3007 122.5695 52.2296 41.4239 176.8018 93 A 4.0450 8.5972 120.7877 54.9458 18.2964 178.0521 94 N 4.6742 8.7275 111.4822 53.0068 39.1670 176.0069 95 G 3.9899 8.3842 107.2879 45.0243 0.0000 173.4104 96 D 4.7912 7.8973 119.3909 53.4892 42.8127 175.4990 97 I 4.6459 8.3340 122.6318 61.0406 38.2486 175.2977 98 V 4.7362 9.0586 127.4982 60.9017 33.7430 174.8705 99 L 4.6900 9.0979 128.4592 54.5066 42.0340 177.1285 100 A 4.5399 8.7207 124.9641 52.5462 19.3031 176.3121 101 A 4.6376 8.3727 121.1473 51.2759 22.5634 175.7275 102 V 4.5378 7.8929 111.4276 59.4383 34.1760 176.4549 103 E 4.0989 8.7591 123.8166 58.8380 29.8039 176.6375 104 R 4.6843 7.4630 112.3369 53.6791 32.3363 172.6355 105 P 4.5566 0.0000 0.0000 63.0627 31.7943 176.2905 106 V 4.5055 8.2715 120.9517 59.9553 34.9093 173.5674 107 P 4.3207 0.0000 0.0000 62.4899 31.5566 175.7970 108 N 4.5794 8.6998 120.0437 55.3200 38.8829 176.0307 109 G 4.1888 9.3486 110.9774 46.1148 0.0000 173.6958 110 E 4.1889 7.9637 119.8853 56.4022 30.6485 176.3740 111 K 4.7145 8.4897 122.8623 55.8841 33.3250 176.3974 112 M 4.4203 8.8540 125.9738 55.5951 32.9582 175.9424 113 C 4.5868 8.5314 119.6437 58.8143 29.6674 173.5909 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 4.43 0.00 3.90 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 3 G 8.45 3.66 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 0.00 0.00 0.00 4 E 8.46 4.05 0.00 1.95 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 2.31 2.31 0.00 5 I 8.08 4.63 2.04 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.90 0.95 0.00 0.00 6 S 8.59 4.74 0.00 4.16 4.07 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 0.00 0.00 0.00 0.00 7 Y 8.64 4.28 0.00 3.00 3.10 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 8 A 8.09 4.09 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 9 D 8.04 4.44 0.00 2.99 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.05 4.19 0.00 3.01 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 11 E 7.81 3.59 0.00 1.92 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 1.90 1.71 0.00 12 K 7.39 4.02 0.00 1.79 1.79 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.53 7.81 13 V 6.82 3.72 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 0.54 0.00 0.00 0.83 0.00 0.00 14 D 8.54 4.57 0.00 2.56 2.41 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 0.00 15 I 7.85 4.82 1.81 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 1.25 0.48 0.92 0.00 0.00 16 R 8.76 5.29 0.00 1.62 1.89 0.00 3.50 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.45 0.00 17 V 8.51 4.67 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 0.80 0.00 0.00 0.99 0.00 0.00 18 G 8.86 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.12 5.03 4.15 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 0.00 0.00 1.15 0.00 0.00 20 I 8.69 4.11 1.98 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.46 0.92 0.00 0.00 21 V 8.75 4.38 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 0.65 0.00 0.00 0.94 0.00 0.00 22 E 7.89 4.81 0.00 1.99 1.71 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 2.26 2.30 0.00 23 A 8.35 5.22 1.17 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 24 V 8.92 4.63 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 0.74 0.00 0.00 0.80 0.00 0.00 25 P 0.00 4.53 0.00 2.10 2.08 0.00 3.69 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 1.99 1.98 0.00 26 F 9.33 5.02 0.00 2.82 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 27 P 0.00 4.27 0.00 2.23 2.21 0.00 4.00 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 2.09 2.03 0.00 28 E 7.78 4.69 0.00 2.09 1.24 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 2.03 1.67 0.00 *32 P 0.00 4.35 0.00 2.08 2.03 0.00 3.49 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 33 A 8.52 5.10 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 34 I 8.75 4.95 1.90 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 1.26 1.06 0.98 0.00 0.00 35 K 8.85 4.65 0.00 1.29 1.24 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.30 0.21 7.81 36 V 9.21 5.01 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 0.72 0.00 0.00 1.02 0.00 0.00 37 K 8.76 5.08 0.00 1.70 1.68 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.42 7.81 38 I 8.78 4.69 1.62 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 0.98 0.75 -0.05 0.00 0.00 39 D 9.09 4.64 0.00 2.61 2.46 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 0.00 0.00 0.00 0.00 40 F 8.99 4.68 0.00 3.27 2.96 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 41 G 8.86 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 4.33 0.00 2.06 2.14 0.00 3.69 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 2.03 2.12 0.00 43 E 8.22 4.20 0.00 1.96 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 2.31 2.27 0.00 44 I 7.94 4.06 1.95 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.53 0.84 0.00 0.00 45 G 8.44 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 0.00 0.00 0.00 46 I 8.15 4.76 1.89 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 1.36 0.87 0.92 0.00 0.00 47 K 9.19 4.97 0.00 2.00 1.78 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.52 1.58 7.81 48 K 9.48 5.08 0.00 1.61 1.69 0.00 1.43 0.00 0.00 1.57 0.00 0.00 2.73 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.38 7.81 49 S 9.21 5.27 0.00 4.02 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 S 8.72 5.33 0.00 4.12 3.74 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 51 A 8.82 4.62 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 52 Q 8.76 4.86 0.00 1.98 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.44 0.00 0.00 0.00 0.00 0.00 2.49 2.19 0.00 53 I 7.50 4.73 2.12 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.05 0.99 0.00 0.00 54 T 8.13 4.31 4.27 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 1.25 0.00 0.00 55 V 7.89 3.61 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 0.61 0.00 0.00 0.95 0.00 0.00 56 H 7.77 4.44 0.00 2.17 2.55 0.00 5.69 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 Y 7.35 4.93 0.00 3.17 2.87 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 58 T 8.34 4.82 4.42 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 0.00 0.00 0.00 1.24 0.00 0.00 59 P 0.00 4.25 0.00 2.19 2.38 0.00 3.63 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 2.13 2.21 0.00 60 E 8.15 4.03 0.00 1.94 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 2.33 2.44 0.00 61 S 7.94 4.44 0.00 4.15 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 62 L 7.62 4.27 0.00 1.86 1.70 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.04 3.87 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 0.72 0.00 0.00 0.94 0.00 0.00 64 G 9.07 4.06 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 0.00 65 R 8.04 4.17 0.00 1.90 1.80 0.00 3.14 0.00 0.00 3.02 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 66 Q 8.54 4.82 0.00 1.92 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 67 V 8.82 4.62 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 0.72 0.00 0.00 0.86 0.00 0.00 68 L 8.47 5.36 0.00 1.64 1.61 1.01 0.78 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 69 G 9.13 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.54 4.20 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.09 0.00 0.00 0.79 0.00 0.00 71 V 8.46 4.05 1.70 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 -0.12 0.00 0.00 0.69 0.00 0.00 72 N 7.43 4.85 0.00 2.65 2.68 0.00 0.00 6.11 7.43 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 73 F 7.72 4.89 0.00 3.05 2.84 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 74 P 0.00 4.42 0.00 2.05 1.99 0.00 3.78 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 75 P 0.00 4.72 0.00 2.03 2.02 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 76 R 8.99 4.73 0.00 1.65 1.78 0.00 3.25 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 77 Q 8.71 4.58 0.00 1.95 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 7.19 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 78 I 9.39 4.44 2.34 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.99 1.06 0.00 0.00 79 G 8.09 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 0.00 0.00 0.00 80 P 0.00 4.40 0.00 2.25 2.23 0.00 3.90 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 2.08 2.01 0.00 81 F 8.07 4.35 0.00 2.95 3.24 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 0.00 82 R 7.69 4.23 0.00 1.70 1.58 0.00 3.32 0.00 0.00 3.05 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.58 0.00 83 S 8.53 4.18 0.00 4.13 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 84 E 9.19 4.72 0.00 1.97 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 2.16 2.29 0.00 85 V 7.69 4.72 2.21 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 0.64 0.00 0.00 1.16 0.00 0.00 86 L 8.40 4.52 0.00 2.07 1.79 0.98 1.08 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 87 T 8.58 4.83 4.29 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 1.22 0.00 0.00 88 L 9.10 4.38 0.00 1.66 1.49 0.92 0.53 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 89 G 7.72 4.43 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 90 F 9.13 5.08 0.00 3.01 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 91 A 8.78 4.76 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 92 D 9.30 4.66 0.00 2.91 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 93 A 8.60 4.05 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 94 N 8.73 4.67 0.00 2.96 2.86 0.00 0.00 7.18 8.05 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 95 G 8.38 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 0.00 0.00 0.00 96 D 7.90 4.79 0.00 2.81 2.52 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 0.00 97 I 8.33 4.65 2.10 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 1.36 0.80 1.00 0.00 0.00 98 V 9.06 4.74 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 1.18 0.00 0.00 1.00 0.00 0.00 99 L 9.10 4.69 0.00 1.50 1.53 0.24 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.72 4.54 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 0.00 101 A 8.37 4.64 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 0.00 102 V 7.89 4.54 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 0.78 0.00 0.00 1.00 0.00 0.00 103 E 8.76 4.10 0.00 1.94 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 2.30 2.25 0.00 104 R 7.46 4.68 0.00 1.91 1.85 0.00 3.11 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 105 P 0.00 4.56 0.00 2.06 2.04 0.00 3.62 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 106 V 8.27 4.51 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 0.83 0.00 0.00 1.00 0.00 0.00 107 P 0.00 4.32 0.00 2.23 1.98 0.00 3.68 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 108 N 8.70 4.58 0.00 2.75 2.83 0.00 0.00 7.32 7.87 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 0.00 109 G 9.35 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 0.00 0.00 0.00 0.00 110 E 7.96 4.19 0.00 1.98 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 2.46 2.46 0.00 111 K 8.49 4.71 0.00 1.64 1.70 0.00 1.72 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.41 7.81 112 M 8.85 4.42 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.63 0.00 113 C 8.53 4.59 0.00 3.24 2.93 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.