NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.3648 8.3193 115.2898 58.4586 64.2900 174.7125 1 T 4.2108 8.0034 110.8094 60.0665 71.2284 174.1933 2 K 3.8740 8.5959 120.8938 59.3948 32.5045 180.4298 3 L 4.0022 7.9230 120.0726 58.4441 41.9792 178.7573 4 E 4.0276 8.2605 118.3166 59.5142 29.3381 179.2939 5 E 3.9652 8.3583 118.8464 59.6587 29.4660 179.1209 6 H 4.3754 8.2304 116.3816 58.7169 28.8789 177.8618 7 L 4.0459 8.0993 120.8863 57.8554 41.4087 179.2133 8 E 4.0891 8.6054 119.6430 59.1441 29.5860 178.8691 9 G 3.7745 8.6621 106.2963 48.0200 0.0000 175.7356 10 I 3.9410 7.9558 122.0216 64.1178 37.1876 178.4935 11 V 3.6597 7.8314 118.7551 66.3037 31.2411 177.7229 12 N 4.4662 8.5595 116.3264 56.5309 38.1017 177.5305 13 I 4.1157 8.0271 122.4557 63.7299 37.2310 178.0874 14 F 3.8823 8.4830 121.5304 61.7943 39.1626 176.9291 15 H 4.7212 8.8060 117.3733 58.6043 28.3538 177.8544 16 Q 3.9836 8.5080 119.9554 58.8510 28.5630 178.4840 17 Y 4.0517 7.8206 117.7796 60.6813 37.9824 178.0481 18 S 4.0874 8.1941 115.8427 61.2350 62.7351 176.7265 19 V 3.8916 7.7897 121.5287 63.8885 31.1910 178.4678 20 R 4.1073 7.6108 118.6990 57.7002 30.2379 176.1679 21 K 4.7179 7.1790 113.9923 54.9704 36.9980 178.8856 22 G 3.7341 8.2276 109.0638 47.1259 0.0000 175.0809 23 H 4.5295 8.6083 123.8015 55.0285 30.3216 175.8538 24 F 4.4647 8.2485 120.1794 58.4048 38.1244 175.4500 25 D 4.8921 6.9902 118.9170 53.7754 41.1417 174.6080 26 T 5.2179 7.5624 106.4335 59.9737 72.3811 172.6157 27 L 4.9949 8.4930 121.0323 53.5403 44.3058 176.2658 28 S 4.7009 9.0484 114.9274 58.2356 64.0291 175.4708 29 K 4.0244 8.9678 121.2908 59.5368 31.7821 179.6784 30 G 3.8288 8.2865 106.3507 48.2147 0.0000 175.4999 31 E 4.0382 8.1733 121.4390 58.8156 29.4164 179.1936 32 L 3.8176 8.1555 120.6168 57.9378 42.0922 178.8961 33 K 4.0375 8.4332 119.9539 59.6166 32.1707 178.5428 34 Q 4.2393 7.9849 121.1123 58.4484 28.9745 177.8258 35 L 3.5370 8.0538 121.6928 58.1484 42.0348 179.0568 36 L 3.9833 8.0515 119.1493 57.9946 41.4129 179.6315 37 T 4.0933 8.3495 109.8918 64.4036 68.4239 176.3493 38 K 4.0226 8.0859 122.0773 59.1653 32.3990 178.5356 39 E 4.2593 8.7646 116.8631 57.7977 29.6797 177.5278 40 L 4.7369 7.7983 118.5745 54.0791 42.8482 178.0628 41 A 4.0486 7.9482 124.2158 55.6938 18.0825 180.3284 42 N 4.3187 8.0440 113.9042 56.4870 39.0288 177.4324 43 T 3.8739 7.9699 116.6514 66.9140 68.3142 176.3117 44 I 3.7349 8.1330 120.2600 64.3249 37.2529 177.8849 45 K 3.9993 7.7208 118.9653 59.8592 32.0480 178.1513 46 N 4.5949 8.1154 114.9973 54.2843 38.5940 175.6112 47 I 3.9066 7.0602 121.5909 61.4212 37.2178 175.9817 48 K 4.3222 8.7356 124.0426 56.2732 33.0370 175.8956 49 D 4.7857 7.7010 120.2255 52.2530 41.8946 176.4597 50 K 3.7844 8.9311 126.0539 59.9009 31.9974 178.0191 51 A 4.0498 8.0365 120.0946 55.0593 18.1920 179.7664 52 V 3.4950 7.8404 116.7531 66.2295 31.7141 178.2867 53 I 3.8430 7.7494 119.0409 64.6450 36.9520 177.8567 54 D 4.4455 8.5382 120.0630 57.5036 40.4243 178.6141 55 E 3.9523 8.0970 118.6590 59.3352 29.7020 178.6153 56 I 3.7105 7.7250 118.9837 63.6141 37.2481 177.4521 57 F 4.6160 7.8329 115.1873 55.8261 39.6320 175.9288 58 Q 3.8053 7.5033 120.7050 57.4036 29.1245 177.5541 59 G 3.9104 9.5551 115.5819 44.7795 0.0000 172.4056 60 L 4.3252 8.5759 116.3923 55.1315 40.5837 175.0051 *62 A 4.1779 7.7027 120.1828 51.6809 19.1783 177.4308 63 N 4.3097 8.6549 115.1937 54.8535 38.9640 176.2776 64 Q 4.2441 8.6944 125.2306 57.8181 29.0660 177.4891 65 D 4.5690 8.9151 117.4163 54.7950 41.7514 176.4729 66 E 4.1398 7.9038 121.8266 56.3258 30.6992 175.9465 67 Q 4.8680 8.6196 125.0937 55.5861 30.2786 175.3045 68 V 4.7360 9.3438 123.5741 61.2346 34.8616 174.6923 69 D 5.2946 9.2271 127.4194 51.7442 42.0993 177.0416 70 F 3.3391 8.7759 119.2573 61.1879 38.9082 176.4370 71 Q 3.8505 8.1650 118.7610 59.2631 28.4229 178.1495 72 E 3.9178 8.4177 119.5946 59.0629 29.4067 178.8456 73 F 4.1342 8.0447 120.7922 61.3943 39.3076 176.8837 74 I 3.2466 7.3326 119.5517 64.7510 36.7993 178.2865 75 S 4.0226 7.5046 115.2778 61.6585 62.5036 176.9735 76 L 3.8240 7.2553 121.0117 57.4079 41.3159 179.2742 77 V 3.2170 7.3992 118.3756 66.0712 31.2744 177.9553 78 A 3.8876 8.1013 120.5500 55.1496 18.1615 179.7428 79 I 3.5869 7.3717 118.2715 64.4141 37.1214 178.5110 80 A 3.9683 8.1499 121.9864 54.8878 18.0547 179.5307 81 L 3.8447 8.1492 119.2100 58.0664 42.1490 178.7602 82 K 3.8246 7.9649 119.4812 59.7025 32.0434 178.4169 83 A 4.0170 8.0676 120.4031 55.1818 18.1249 179.3705 84 A 3.9963 8.1645 118.4376 55.5403 18.6009 179.0608 85 H 4.2774 8.5760 116.8869 59.6217 30.0243 176.6067 86 Y 4.1029 8.2860 121.5196 61.3132 38.5558 177.8809 87 H 4.1480 8.5594 119.0415 59.1876 29.7002 177.2746 88 T 3.8444 7.4888 111.1267 64.3985 68.5534 175.1931 89 H 4.4121 7.5217 116.6975 54.2707 29.3702 175.1795 90 K 3.6016 6.9197 122.4643 56.9436 32.4978 176.2083 91 E 4.1253 8.5569 123.1806 56.7274 29.4802 176.5950 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 0 S 8.32 4.36 0.00 3.85 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 1 T 8.00 4.21 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 1.22 0.00 0.00 2 K 8.60 3.87 0.00 1.83 1.91 0.00 1.69 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.49 7.81 3 L 7.92 4.00 0.00 1.78 1.69 0.96 1.00 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 4 E 8.26 4.03 0.00 2.22 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 2.34 2.37 0.00 5 E 8.36 3.97 0.00 2.07 1.94 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 2.31 2.47 0.00 6 H 8.23 4.38 0.00 3.37 3.35 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.10 4.05 0.00 1.90 1.77 0.95 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.61 4.09 0.00 2.04 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 2.34 2.35 0.00 9 G 8.66 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 10 I 7.96 3.94 2.19 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.06 1.16 0.00 0.00 11 V 7.83 3.66 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 0.66 0.00 0.00 0.87 0.00 0.00 12 N 8.56 4.47 0.00 3.04 2.93 0.00 0.00 7.10 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 I 8.03 4.12 2.23 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.46 1.13 0.00 0.00 14 F 8.48 3.88 0.00 2.84 3.28 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 0.00 15 H 8.81 4.72 0.00 3.42 3.37 0.00 5.70 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 8.51 3.98 0.00 2.30 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.64 0.00 17 Y 7.82 4.05 0.00 2.89 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 18 S 8.19 4.09 0.00 3.95 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 19 V 7.79 3.89 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 0.81 0.00 0.00 0.93 0.00 0.00 20 R 7.61 4.11 0.00 1.92 1.99 0.00 2.94 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 21 K 7.18 4.72 0.00 1.80 1.74 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.41 1.41 7.81 22 G 8.23 3.73 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 0.00 0.00 0.00 23 H 8.61 4.53 0.00 3.21 3.12 0.00 5.87 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 F 8.25 4.46 0.00 3.13 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 25 D 6.99 4.89 0.00 1.64 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 26 T 7.56 5.22 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 1.24 0.00 0.00 27 L 8.49 4.99 0.00 1.65 1.57 0.69 0.88 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 28 S 9.05 4.70 0.00 4.12 4.04 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 0.00 0.00 0.00 29 K 8.97 4.02 0.00 1.86 1.93 0.00 1.93 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.67 7.81 30 G 8.29 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 31 E 8.17 4.04 0.00 2.20 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 2.39 2.34 0.00 32 L 8.16 3.82 0.00 1.80 1.82 1.03 0.89 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 33 K 8.43 4.04 0.00 1.97 2.05 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.58 1.77 7.81 34 Q 7.98 4.24 0.00 2.26 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.54 2.33 0.00 35 L 8.05 3.54 0.00 0.97 1.56 0.32 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.05 3.98 0.00 1.64 1.45 0.44 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.35 4.09 4.31 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 1.39 0.00 0.00 38 K 8.09 4.02 0.00 2.06 1.95 0.00 1.76 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.50 1.54 7.81 39 E 8.76 4.26 0.00 2.04 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 0.00 2.67 2.61 0.00 40 L 7.80 4.74 0.00 1.89 1.64 0.84 0.82 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 41 A 7.95 4.05 1.41 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 0.00 0.00 42 N 8.04 4.32 0.00 2.76 2.87 0.00 0.00 7.10 7.05 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 43 T 7.97 3.87 4.40 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 1.22 0.00 0.00 44 I 8.13 3.73 2.15 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 1.61 0.63 0.94 0.00 0.00 45 K 7.72 4.00 0.00 1.88 2.00 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.50 7.81 46 N 8.12 4.59 0.00 2.74 2.48 0.00 0.00 7.11 7.07 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 47 I 7.06 3.91 2.01 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.73 0.98 0.00 0.00 48 K 8.74 4.32 0.00 2.06 1.88 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.01 7.81 49 D 7.70 4.79 0.00 2.63 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.93 3.78 0.00 1.81 1.83 0.00 1.96 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.53 7.81 51 A 8.04 4.05 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 52 V 7.84 3.50 2.17 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 1.00 0.00 0.00 0.85 0.00 0.00 53 I 7.75 3.84 2.02 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.70 0.97 0.00 0.00 54 D 8.54 4.45 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 55 E 8.10 3.95 0.00 2.08 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 0.00 2.28 2.32 0.00 56 I 7.73 3.71 1.95 0.00 0.00 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 1.39 0.75 0.31 0.00 0.00 57 F 7.83 4.62 0.00 3.15 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 58 Q 7.50 3.81 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.05 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 59 G 9.56 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 60 L 8.58 4.33 0.00 1.81 2.14 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.00 0.00 *62 A 7.70 4.18 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 63 N 8.65 4.31 0.00 2.74 2.75 0.00 0.00 6.95 6.73 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 64 Q 8.69 4.24 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.30 6.62 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 65 D 8.92 4.57 0.00 2.84 2.72 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 0.00 0.00 0.00 0.00 66 E 7.90 4.14 0.00 2.19 1.94 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 2.30 2.17 0.00 67 Q 8.62 4.87 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.45 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 68 V 9.34 4.74 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 1.06 0.00 0.00 1.00 0.00 0.00 69 D 9.23 5.29 0.00 2.88 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 70 F 8.78 3.34 0.00 2.66 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 71 Q 8.16 3.85 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.69 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 72 E 8.42 3.92 0.00 2.20 1.97 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 2.31 2.53 0.00 73 F 8.04 4.13 0.00 2.87 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 74 I 7.33 3.25 1.84 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 -0.08 0.78 0.00 0.00 75 S 7.50 4.02 0.00 3.92 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 76 L 7.26 3.82 0.00 1.49 1.45 0.83 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 77 V 7.40 3.22 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 0.92 0.00 0.00 -0.03 0.00 0.00 78 A 8.10 3.89 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 79 I 7.37 3.59 1.90 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.76 0.85 0.00 0.00 80 A 8.15 3.97 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 81 L 8.15 3.84 0.00 1.85 1.64 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 82 K 7.96 3.82 0.00 1.86 1.97 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.49 7.81 83 A 8.07 4.02 1.40 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 0.00 0.00 84 A 8.16 4.00 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 0.00 0.00 0.00 0.00 0.00 85 H 8.58 4.28 0.00 3.23 3.52 0.00 5.61 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 Y 8.29 4.10 0.00 3.19 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 87 H 8.56 4.15 0.00 3.38 3.44 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 T 7.49 3.84 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 1.28 0.00 0.00 89 H 7.52 4.41 0.00 3.06 3.24 0.00 5.69 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 K 6.92 3.60 0.00 1.58 1.57 0.00 1.63 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.37 7.81 91 E 8.56 4.13 0.00 1.96 1.81 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 2.27 2.25 0.00 * Residues marked with a * may have inaccurate shift predictions.