NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 C 4.6155 8.3293 120.8365 58.9520 31.5036 173.0264 11 P 4.4217 0.0000 0.0000 62.3531 32.6456 173.7928 12 L 4.9915 7.6720 122.5556 53.6801 45.0626 176.1230 13 M 4.9462 9.1458 125.6377 53.6609 36.2505 173.8947 14 V 4.8804 8.2322 123.1471 60.9187 34.9639 174.1237 15 K 4.9594 9.0177 128.0498 54.5923 35.6744 174.7850 16 V 4.8407 8.8598 126.6482 61.0857 34.5825 174.1551 17 L 5.0478 8.9177 126.8412 52.8847 46.1762 174.8307 18 D 5.1987 9.0012 121.5239 52.7867 42.5244 176.5668 19 A 4.3403 9.3999 128.5310 53.6115 18.6537 178.5688 20 V 3.8812 8.8832 115.5955 65.0404 31.8773 177.0870 21 R 4.3820 8.4814 115.4690 55.2602 31.2687 175.7992 22 G 3.9099 8.1894 105.7202 46.1935 0.0000 172.9930 23 S 4.7893 7.4880 111.3253 55.5291 67.3256 172.4002 24 P 4.5855 0.0000 0.0000 62.9304 31.7725 176.2582 25 A 4.2934 8.7983 125.4787 51.0387 19.5061 176.3510 26 I 4.2698 8.3570 122.5566 61.2633 39.0943 175.7657 27 N 4.2195 8.5389 121.5503 54.3806 36.4082 174.1256 28 V 4.2198 7.7406 118.4568 61.5182 33.1915 174.8831 29 A 4.6108 8.5293 129.8151 51.8498 20.0269 176.0980 30 V 4.7820 8.8760 121.6217 61.3431 35.0374 173.9377 31 H 5.1587 9.3156 124.5699 53.8396 32.1354 172.7673 32 V 4.8509 8.8133 122.5667 61.1490 34.3685 174.3226 33 F 5.5318 9.4126 125.2379 55.7731 43.3709 173.6737 34 R 4.7631 9.0334 121.5013 54.1515 32.9744 174.6564 35 K 4.0281 8.4409 127.5005 56.0039 32.7593 176.7990 36 A 4.2985 9.1117 131.3304 50.4896 20.1155 177.5408 37 A 3.9085 8.4961 122.1321 55.3756 17.2077 178.2091 38 D 4.6278 7.9524 113.6018 53.1853 39.6450 176.5450 39 D 4.2946 7.6894 116.5210 56.1021 38.9839 173.7180 40 T 4.3456 6.8299 115.4684 62.1737 70.8107 174.0344 41 W 5.1279 8.4966 124.5094 55.7902 30.1680 175.4682 42 E 4.8239 9.3088 124.3850 53.9686 31.2840 173.8999 43 P 4.4455 0.0000 0.0000 63.8669 31.5257 175.1672 44 F 4.8593 8.9294 123.8779 59.5680 41.7972 174.6129 45 A 4.5730 7.7380 117.1291 51.4280 22.2665 174.9543 46 S 4.6526 7.6532 112.9545 57.6209 66.1854 173.6199 47 G 3.9433 7.5665 105.6127 46.3631 0.0000 171.7112 48 K 5.2835 8.4727 118.4487 54.2309 35.3186 177.0122 49 T 4.1887 8.6719 115.3168 62.0525 70.2327 174.9631 50 S 4.6941 8.7399 118.5079 57.4063 65.2576 174.4351 51 E 3.9742 8.7181 118.7598 59.1932 29.1822 177.9094 52 S 4.4488 7.9339 111.7443 57.6480 63.4814 174.8550 53 G 3.8500 8.3378 109.3857 45.4499 0.0000 172.7869 54 E 5.0789 7.7555 118.1256 54.1240 33.3552 175.0014 55 L 4.8365 8.6371 123.7431 53.9902 44.5824 175.1110 56 H 4.9320 8.7594 123.2304 54.3450 32.2284 174.9902 57 G 3.9128 8.6856 105.7541 46.7742 0.0000 175.4094 58 L 3.9942 7.2611 119.2969 57.4701 41.7340 176.6993 59 T 4.3764 7.1889 110.3471 61.5571 70.2059 171.3196 60 T 4.8077 8.0347 111.2744 59.2887 71.7840 174.6894 61 E 4.1257 8.7964 121.2276 59.4674 29.7905 178.5083 62 E 4.1244 8.3207 118.7695 59.0668 29.9085 177.3170 63 E 4.2677 7.8808 117.2430 58.5865 30.3908 176.9768 64 F 4.8062 8.2692 122.3407 57.3302 37.6204 174.9451 65 V 3.9524 7.3705 116.1959 60.2973 32.8595 176.2693 66 E 4.5103 8.0508 120.8217 55.7292 30.0616 177.2684 67 G 3.7726 7.7718 108.7927 46.5946 0.0000 170.2566 68 I 4.8361 7.1173 119.9327 59.6837 39.4553 174.9566 69 Y 5.0395 8.7053 124.1572 55.8624 41.8516 174.3826 70 K 4.8858 9.1854 123.4877 54.5235 35.3256 174.7354 71 V 4.7720 9.1192 127.6196 61.1988 33.8440 173.5673 72 E 4.9687 9.6775 129.9723 54.5072 31.9925 174.3021 73 I 4.5931 8.8472 128.3043 59.5785 39.7760 175.4863 74 D 4.9338 8.9566 128.8587 53.8325 38.4178 176.4514 75 T 3.9549 7.8715 114.9935 63.7548 69.3867 176.6143 76 K 4.0422 8.1295 122.1515 59.7596 32.3329 178.6858 77 S 4.1384 8.3912 115.3425 61.6211 62.4876 176.0441 78 Y 3.8794 7.5731 121.3975 60.6523 38.5539 178.4169 79 W 4.2031 8.0186 119.7045 59.6900 29.1794 178.6503 80 K 4.0136 8.5060 118.4500 59.5286 31.2702 179.2001 81 A 4.0525 7.8082 119.8825 54.2945 18.3237 178.5988 82 L 4.3874 7.0989 114.9848 53.9352 42.0553 176.9660 83 G 3.9233 7.9779 106.9230 46.4867 0.0000 173.5024 84 I 4.4436 7.7929 119.6841 58.9080 39.4263 175.4755 85 S 4.3673 8.6729 120.1662 56.9251 62.4534 171.8895 86 P 4.4492 0.0000 0.0000 61.5236 33.0907 175.5856 87 F 4.0705 8.2978 120.7950 60.6158 39.5940 176.0128 88 H 4.3805 7.8295 115.8392 55.1064 29.4585 175.4708 89 E 4.0078 8.6446 122.6776 59.6474 29.4980 176.2253 90 H 4.8708 7.5641 110.4507 55.9365 31.2686 172.8504 91 A 4.5849 8.5161 120.2596 50.0504 21.2469 175.5638 92 E 5.0820 8.7819 120.0693 54.4614 33.3201 175.6205 93 V 4.5063 8.9020 123.0365 61.1608 34.6806 174.1931 94 V 5.1408 8.6678 127.5845 61.1301 33.9585 174.2957 95 F 5.1136 8.9101 121.3653 56.2222 41.7624 172.8987 96 T 4.9317 8.6960 116.2466 62.2575 70.2862 174.0547 97 A 4.6904 8.9035 128.6706 50.7911 20.4080 175.7421 98 N 5.4553 8.9207 119.5735 51.7157 41.9693 174.1306 99 D 5.0189 8.9036 121.5387 53.7421 42.8262 175.5853 100 S 4.6262 8.5971 120.4298 60.1878 70.0800 176.0715 *104 R 4.2897 7.7160 119.5832 56.8646 31.3723 175.3725 105 Y 4.8240 8.8731 122.3044 56.0243 39.9334 174.8024 106 T 4.8032 9.0247 122.4544 61.8884 71.0875 173.6875 107 I 4.7037 8.7945 128.7074 59.8744 38.8394 174.6512 108 A 5.2432 9.0063 129.6424 49.9921 21.8955 174.9650 109 A 5.1857 9.0019 122.5320 49.9666 22.7901 174.6866 110 L 4.9980 9.2070 124.5861 53.2870 44.6423 174.8962 111 L 5.3553 9.0295 126.8132 53.3710 44.0395 175.9020 112 S 5.1473 9.4740 119.0303 55.9297 67.0684 173.4512 113 P 3.2222 0.0000 0.0000 65.1767 31.0545 177.8439 114 Y 4.5960 7.8297 111.7910 57.3321 38.7228 175.0043 115 S 4.7462 8.0501 114.3397 57.3645 65.7108 172.4114 116 Y 5.5032 7.7741 122.6226 55.9539 41.1215 173.9674 117 S 4.9393 9.2482 115.6096 57.1825 67.1165 173.1140 118 T 5.2160 8.4797 115.6874 60.9294 70.6209 172.6717 119 T 4.8258 8.9434 120.1085 60.4069 71.5449 171.9685 120 A 5.1446 8.5926 127.5763 50.0806 21.6609 175.8410 121 V 4.2263 8.8653 122.7178 61.0254 33.9677 174.4759 122 V 4.7502 8.4509 128.3047 61.3672 33.0308 174.4165 123 T 4.5971 8.7563 117.8286 60.3692 72.2014 174.0001 124 N 4.6315 8.7080 118.0665 53.5770 37.9914 174.6248 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 10 C 8.33 4.62 0.00 2.93 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 P 0.00 4.42 0.00 2.27 2.35 0.00 3.73 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 1.62 2.09 0.00 12 L 7.67 4.99 0.00 0.86 1.19 0.84 0.75 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 13 M 9.15 4.95 0.00 1.96 1.76 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 2.23 2.55 0.00 14 V 8.23 4.88 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 0.89 0.00 0.00 0.88 0.00 0.00 15 K 9.02 4.96 0.00 1.75 1.53 0.00 1.59 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.27 1.30 7.81 16 V 8.86 4.84 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 0.77 0.00 0.00 0.80 0.00 0.00 17 L 8.92 5.05 0.00 1.58 1.50 0.92 1.03 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 18 D 9.00 5.20 0.00 2.67 2.77 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 19 A 9.40 4.34 1.42 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 0.00 0.00 0.00 20 V 8.88 3.88 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.98 0.00 0.00 21 R 8.48 4.38 0.00 1.94 2.02 0.00 3.53 0.00 0.00 3.66 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 22 G 8.19 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 23 S 7.49 4.79 0.00 3.87 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 24 P 0.00 4.59 0.00 2.04 2.15 0.00 3.67 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 2.02 2.09 0.00 25 A 8.80 4.29 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 I 8.36 4.27 1.91 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 1.59 0.63 1.02 0.00 0.00 27 N 8.54 4.22 0.00 2.93 2.97 0.00 0.00 6.86 7.33 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 28 V 7.74 4.22 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 0.84 0.00 0.00 0.57 0.00 0.00 29 A 8.53 4.61 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 30 V 8.88 4.78 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 0.96 0.00 0.00 0.90 0.00 0.00 31 H 9.32 5.16 0.00 3.09 2.59 0.00 5.81 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.81 4.85 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 1.36 0.00 0.00 0.96 0.00 0.00 33 F 9.41 5.53 0.00 2.87 3.18 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 34 R 9.03 4.76 0.00 1.41 1.65 0.00 2.68 0.00 0.00 2.93 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.50 0.00 35 K 8.44 4.03 0.00 0.98 1.26 0.00 1.42 0.00 0.00 1.47 0.00 0.00 2.13 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.92 0.24 7.81 36 A 9.11 4.30 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 0.00 0.00 0.00 0.00 0.00 37 A 8.50 3.91 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 0.00 0.00 0.00 0.00 0.00 38 D 7.95 4.63 0.00 2.77 2.83 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 39 D 7.69 4.29 0.00 2.73 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 T 6.83 4.35 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 41 W 8.50 5.13 0.00 2.95 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 42 E 9.31 4.82 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 43 P 0.00 4.45 0.00 2.03 2.08 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 2.17 2.41 0.00 44 F 8.93 4.86 0.00 3.07 3.15 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 0.00 45 A 7.74 4.57 1.09 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 46 S 7.65 4.65 0.00 3.61 3.58 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 47 G 7.57 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 0.00 0.00 0.00 48 K 8.47 5.28 0.00 1.56 1.65 0.00 1.74 0.00 0.00 1.88 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.28 1.35 7.81 49 T 8.67 4.19 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 50 S 8.74 4.69 0.00 3.99 4.13 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 0.00 0.00 0.00 51 E 8.72 3.97 0.00 1.97 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 0.00 2.31 2.24 0.00 52 S 7.93 4.45 0.00 4.00 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 53 G 8.34 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 0.00 0.00 0.00 54 E 7.76 5.08 0.00 1.92 1.67 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 2.23 2.41 0.00 55 L 8.64 4.84 0.00 1.63 1.40 0.86 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 56 H 8.76 4.93 0.00 3.14 3.15 0.00 5.97 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 57 G 8.69 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 58 L 7.26 3.99 0.00 1.66 1.72 0.88 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 59 T 7.19 4.38 4.32 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 1.16 0.00 0.00 60 T 8.03 4.81 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 1.22 0.00 0.00 61 E 8.80 4.13 0.00 2.04 2.15 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 2.40 2.35 0.00 62 E 8.32 4.12 0.00 1.98 2.04 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 2.34 2.35 0.00 63 E 7.88 4.27 0.00 2.11 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 0.00 2.74 2.43 0.00 64 F 8.27 4.81 0.00 3.15 3.13 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 0.00 0.00 0.00 65 V 7.37 3.95 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 0.81 0.00 0.00 0.95 0.00 0.00 66 E 8.05 4.51 0.00 1.81 1.87 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 2.44 2.30 0.00 67 G 7.77 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 0.00 0.00 0.00 68 I 7.12 4.84 1.67 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.53 1.07 0.00 0.00 69 Y 8.71 5.04 0.00 1.75 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.19 4.89 0.00 0.79 0.74 0.00 1.37 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.16 0.00 0.00 0.00 0.00 1.02 1.00 7.81 71 V 9.12 4.77 2.19 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 0.97 0.00 0.00 1.16 0.00 0.00 72 E 9.68 4.97 0.00 2.03 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 0.00 2.17 1.98 0.00 73 I 8.85 4.59 1.73 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.48 0.77 0.00 0.00 74 D 8.96 4.93 0.00 2.81 2.58 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 75 T 7.87 3.95 4.45 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 1.15 0.00 0.00 76 K 8.13 4.04 0.00 2.06 1.90 0.00 1.81 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.55 1.58 7.81 77 S 8.39 4.14 0.00 4.02 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 78 Y 7.57 3.88 0.00 2.98 2.80 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 79 W 8.02 4.20 0.00 3.55 3.36 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 80 K 8.51 4.01 0.00 1.96 1.89 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.76 7.81 81 A 7.81 4.05 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 82 L 7.10 4.39 0.00 1.89 1.74 0.38 0.73 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 83 G 7.98 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 84 I 7.79 4.44 2.10 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.98 0.79 0.00 0.00 85 S 8.67 4.37 0.00 3.86 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 86 P 0.00 4.45 0.00 2.25 2.10 0.00 3.82 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 1.96 2.12 0.00 87 F 8.30 4.07 0.00 1.79 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 88 H 7.83 4.38 0.00 3.31 3.48 0.00 5.95 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 89 E 8.64 4.01 0.00 1.72 1.87 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 2.16 2.13 0.00 90 H 7.56 4.87 0.00 3.23 3.25 0.00 5.11 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 8.52 4.58 0.29 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 E 8.78 5.08 0.00 1.87 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.36 0.00 93 V 8.90 4.51 2.19 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 0.95 0.00 0.00 0.98 0.00 0.00 94 V 8.67 5.14 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 1.13 0.00 0.00 0.92 0.00 0.00 95 F 8.91 5.11 0.00 3.16 3.12 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 T 8.70 4.93 4.32 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 1.34 0.00 0.00 97 A 8.90 4.69 0.83 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 98 N 8.92 5.46 0.00 2.70 2.76 0.00 0.00 7.03 8.72 0.00 0.00 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 D 8.90 5.02 0.00 2.70 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 0.00 100 S 8.60 4.63 0.00 3.83 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 *104 R 7.72 4.29 0.00 1.53 1.86 0.00 3.23 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.24 0.00 105 Y 8.87 4.82 0.00 2.80 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 0.00 106 T 9.02 4.80 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 1.17 0.00 0.00 107 I 8.79 4.70 1.80 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.81 0.87 0.00 0.00 108 A 9.01 5.24 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 0.00 109 A 9.00 5.19 1.15 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 0.00 0.00 0.00 110 L 9.21 5.00 0.00 1.76 1.59 0.98 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 111 L 9.03 5.36 0.00 1.86 2.01 0.55 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 112 S 9.47 5.15 0.00 3.89 3.71 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 0.00 113 P 0.00 3.22 0.00 2.10 1.65 0.00 3.28 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 1.72 0.69 0.00 114 Y 7.83 4.60 0.00 2.80 2.82 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 0.00 0.00 0.00 0.00 115 S 8.05 4.75 0.00 3.80 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 0.00 116 Y 7.77 5.50 0.00 3.10 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 0.00 117 S 9.25 4.94 0.00 3.82 3.78 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 0.00 0.00 0.00 118 T 8.48 5.22 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 1.34 0.00 0.00 119 T 8.94 4.83 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 0.00 120 A 8.59 5.14 1.15 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 0.00 0.00 0.00 121 V 8.87 4.23 2.04 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 0.83 0.00 0.00 0.91 0.00 0.00 122 V 8.45 4.75 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 0.52 0.00 0.00 0.93 0.00 0.00 123 T 8.76 4.60 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 1.16 0.00 0.00 124 N 8.71 4.63 0.00 2.78 3.11 0.00 0.00 6.78 7.56 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 * Residues marked with a * may have inaccurate shift predictions.