NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.3745 8.3033 121.7366 55.3207 31.1227 175.1306 5 P 4.5399 0.0000 0.0000 61.0238 32.3803 174.5251 6 L 4.0571 7.9158 124.5202 56.1416 42.9153 176.8934 7 S 4.6341 8.6210 120.2742 57.0482 65.4881 174.9893 8 A 3.9247 8.6535 121.1537 55.3680 18.0078 179.6660 9 A 4.0134 8.0089 118.8745 55.1669 18.4925 179.8793 10 G 3.5459 8.0468 104.3046 48.0041 0.0000 175.7370 11 Q 3.9836 8.3547 122.2066 58.8923 29.0024 177.7353 12 N 4.3559 8.3324 118.1822 56.6158 38.8476 176.8911 13 L 3.9910 7.8867 120.4939 57.6768 41.6505 179.4061 14 I 3.6897 7.8045 119.7249 64.6071 37.0844 178.1945 15 D 4.3522 8.5010 119.9914 57.5950 40.6180 179.1122 16 T 3.8257 8.3124 116.3003 66.6767 68.5235 176.6454 17 A 4.0286 8.2034 122.8090 55.4339 18.3490 179.7908 18 T 3.8210 8.1437 114.3076 66.9547 68.3268 177.0090 19 S 4.1275 7.9566 115.7698 61.4628 63.1779 176.7166 20 V 3.7196 7.9000 120.8353 66.1927 30.9296 178.0277 21 I 3.7746 7.9347 118.3507 63.8600 37.6650 176.7960 22 N 4.8139 8.0737 114.8966 54.0336 38.7875 176.5170 23 G 3.9005 7.7065 106.3553 44.4601 0.0000 173.2541 24 I 4.6993 6.5495 112.3059 57.7559 40.5716 173.7191 25 P 4.3857 0.0000 0.0000 62.2130 31.7684 176.8380 26 V 3.7574 8.2201 121.7072 63.1985 32.0123 175.3637 27 S 4.7761 8.2843 120.1004 56.6241 65.4081 173.6707 28 D 4.2842 8.8358 126.1373 56.5281 41.0482 177.2693 29 F 4.4586 8.3224 117.3543 57.9866 40.1883 174.3885 30 Y 5.6816 7.6419 117.4297 55.6484 37.6249 174.5025 31 S 4.8144 9.6887 116.4791 57.5067 65.8478 174.2356 32 V 4.7942 8.0370 120.2815 61.2077 34.9789 173.8840 33 A 5.2916 8.8289 128.4611 50.4662 22.2819 175.2654 34 S 5.1618 9.0615 112.8736 56.6363 66.6755 172.7363 35 A 5.3581 8.8252 125.1255 50.3092 22.6341 174.9385 36 A 5.2407 9.1903 121.8037 50.1613 23.3543 174.7402 37 I 5.0036 8.4916 119.3601 59.2028 41.4454 175.4945 38 S 5.3029 8.9945 124.0449 57.1046 64.7745 174.8380 39 D 4.4293 8.8500 119.8465 55.7944 39.1459 176.8966 40 D 4.6351 8.2220 117.7970 53.0410 39.5604 176.9729 41 G 3.8946 8.2433 107.2284 45.5664 0.0000 173.6893 42 R 4.1254 7.9622 119.6112 55.1948 31.4731 175.5215 43 V 4.5933 7.8134 123.3484 61.1456 33.4264 174.7429 44 F 5.1501 8.9554 125.7498 55.7512 42.8084 174.0944 45 S 5.2876 8.5352 115.7351 57.0320 66.8271 172.2903 46 G 4.0763 8.1822 106.1831 46.2124 0.0000 172.2280 47 V 5.2062 8.3295 119.0415 60.4971 34.6574 174.6672 48 N 4.8517 8.6578 122.8493 53.0075 38.7793 174.9325 49 V 4.5299 8.8828 118.4656 61.2560 34.0328 173.2400 50 Y 4.8996 8.8606 129.9888 57.5596 39.4657 174.3167 51 H 4.2676 8.2689 123.5182 54.6964 32.7653 174.3287 52 F 4.1684 8.2905 120.9694 59.6329 37.7660 175.6305 53 N 4.4179 7.3573 116.9200 53.3926 38.2541 175.0988 54 G 3.8976 8.2348 106.5786 44.9671 0.0000 174.5515 55 G 4.5325 8.2716 105.4163 45.0406 0.0000 172.6466 56 P 4.6191 0.0000 0.0000 62.5730 32.7922 175.7572 57 C 4.6135 8.7929 119.2253 59.7685 29.1974 174.4683 58 A 4.0263 8.9053 122.2481 55.7790 17.3227 179.8882 59 E 3.9319 8.2295 116.3120 59.7226 29.6161 179.4827 60 L 4.1457 7.8838 118.4046 57.3241 41.8323 179.3945 61 V 3.5881 7.8143 118.4942 66.0361 31.4141 178.0825 62 V 3.6492 8.0510 118.1197 66.1906 31.2811 177.9148 63 L 4.0761 8.0820 118.7425 57.8010 41.4443 179.8098 64 G 3.5678 8.0101 105.2412 47.5540 0.0000 176.0622 65 V 3.4989 7.8976 120.3191 65.6796 31.5909 178.0166 66 A 2.5800 7.9881 120.5767 54.6571 18.1133 179.4457 67 A 3.8428 7.9677 119.0792 55.2412 18.2186 179.7200 68 A 3.8820 7.8065 117.9774 54.5604 18.4797 178.6734 69 A 4.4089 7.2173 117.1740 51.5469 19.1402 177.8905 70 G 3.6522 7.8563 105.2596 45.9354 0.0000 174.5323 71 A 4.3590 7.6346 123.7629 51.1471 17.2738 178.1804 72 T 4.1202 8.2785 111.9403 63.2608 69.9653 175.1263 73 K 4.4957 7.9729 123.2062 54.5165 33.7697 174.1066 74 L 5.1990 8.5342 126.5958 53.2977 43.7719 176.3645 75 T 4.5092 8.7831 112.7579 62.8399 71.4330 174.0245 76 H 5.4462 7.9870 117.0239 54.4631 33.6909 172.3293 77 I 5.2618 8.7142 120.2587 60.0224 42.0236 173.8086 78 V 4.9283 8.8590 125.4778 60.1428 35.4359 173.5260 79 A 5.2457 8.5756 122.4806 50.3158 22.5340 175.0912 80 I 5.0802 8.9375 121.3003 59.3159 41.0367 175.3987 81 A 4.6201 9.0221 129.3734 51.6428 19.5155 176.6855 82 N 4.5443 8.3786 116.6659 51.8494 39.7610 174.2499 83 E 3.9718 9.3941 116.3177 57.5380 27.6639 174.9191 84 G 3.9653 8.1057 102.8714 45.6580 0.0000 174.9499 85 R 4.3389 7.6618 117.6034 55.3622 32.0903 174.7249 86 G 3.7850 8.0766 102.3897 43.7341 0.0000 172.2856 87 I 4.3094 8.3274 120.8334 61.6366 37.6970 175.6864 88 L 4.7981 8.3684 126.5262 52.7323 43.6605 176.9357 89 S 4.4854 8.7280 119.7317 57.4676 63.7737 172.5090 90 P 4.5446 0.0000 0.0000 62.1770 31.7027 176.6383 91 C 4.5156 8.5562 116.9906 57.8331 31.7171 175.0536 92 G 3.5850 8.5028 107.1182 47.8657 0.0000 175.7291 93 R 3.8963 7.9526 120.7231 59.4316 30.0816 178.1100 94 C 4.1166 8.0964 115.9043 62.9184 28.0610 176.0655 95 R 3.9338 8.1770 119.6224 59.3253 29.6611 178.8299 96 Q 3.9779 8.1228 119.0724 59.2928 29.0365 178.4815 97 V 3.6477 7.9675 119.2684 65.9926 31.5759 177.9635 98 L 4.0301 8.3674 118.8372 57.7726 41.2713 179.3459 99 A 4.0458 8.0926 119.7350 55.3582 18.4112 179.1775 100 D 4.5215 8.2644 116.3475 57.1175 41.0732 178.2071 101 L 4.4745 8.1367 117.6269 55.2440 44.0227 176.7177 102 H 4.9231 8.5332 115.6428 52.6623 29.2534 171.0972 103 P 4.5574 0.0000 0.0000 64.6370 31.6713 177.8198 104 G 3.9398 9.6093 110.2560 45.8910 0.0000 173.4592 105 I 3.8853 7.6580 121.0753 61.3571 39.3935 174.5489 106 K 4.9366 8.8480 128.2168 54.9150 34.1223 175.2716 107 A 5.0628 8.8123 127.2329 50.8942 20.8774 175.9517 108 I 4.7163 8.3548 123.1601 60.6866 38.3048 175.8616 109 V 4.6396 8.7984 119.1453 59.2606 36.6199 174.8151 110 I 4.1162 8.4464 122.8815 61.7229 37.4797 175.8105 111 G 4.3168 8.4745 115.0703 42.8401 0.0000 174.2882 112 K 3.9821 8.7734 120.1294 57.1565 31.6490 176.1980 113 E 4.4878 9.6134 115.5799 55.3289 29.8780 175.4060 114 G 4.3991 7.0867 106.9046 42.5096 0.0000 170.8415 115 P 4.6690 0.0000 0.0000 62.4863 32.5414 175.9144 116 K 5.1009 9.2124 121.2048 55.4095 36.6480 174.7758 117 M 5.0674 9.0496 120.7421 53.7022 34.3076 175.5395 118 V 4.4175 8.5864 124.2402 60.3991 34.5224 174.6230 119 A 4.3932 8.8369 129.4366 52.6959 18.7293 178.4653 120 V 3.5830 9.0608 123.4403 65.2117 31.2231 178.7650 121 E 4.0182 8.1982 118.4581 59.2702 29.1083 178.7833 122 E 4.2131 8.2229 117.4290 58.4416 29.6441 178.2345 123 L 4.4507 7.5791 117.2181 54.6613 43.2951 177.0829 124 L 4.8019 7.4369 118.6850 51.6018 41.9522 174.3744 125 P 4.2684 0.0000 0.0000 63.8240 32.6895 177.2275 126 S 3.6699 8.6427 113.9890 59.6349 60.1633 172.7202 127 I 3.7853 7.4117 118.5315 61.2147 38.6036 173.9589 128 Y 4.3769 8.5907 126.8944 56.0531 39.4233 174.0410 129 A 4.6247 7.6401 130.5761 49.6641 20.1420 175.8205 130 W 4.2262 8.4159 134.0975 57.5272 31.4944 175.5814 131 D 4.3945 8.6748 125.6674 53.1967 39.6661 176.6054 132 K 2.5092 7.8527 126.5701 58.1111 32.2541 178.6600 133 D 4.3045 7.6695 120.7562 56.8024 40.8957 176.6714 *134 Y 4.7040 7.1025 116.0535 54.8708 40.7374 181.0063 135 D 5.0338 8.5017 123.6557 52.3280 39.6945 175.9426 136 R 4.7366 7.5952 117.8688 55.2441 33.7401 174.4493 137 I 4.5418 8.2703 121.9621 60.9122 37.2803 175.8407 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 E 8.30 4.37 0.00 2.08 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 0.00 2.29 2.37 0.00 5 P 0.00 4.54 0.00 2.06 1.97 0.00 3.76 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.15 0.00 6 L 7.92 4.06 0.00 1.81 1.60 0.94 1.33 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 7 S 8.62 4.63 0.00 3.90 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 8 A 8.65 3.92 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 9 A 8.01 4.01 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 10 G 8.05 3.55 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 0.00 0.00 0.00 11 Q 8.35 3.98 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.55 0.00 12 N 8.33 4.36 0.00 2.86 2.94 0.00 0.00 7.22 6.28 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 13 L 7.89 3.99 0.00 1.92 1.71 0.98 0.83 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 14 I 7.80 3.69 2.04 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.69 0.91 0.00 0.00 15 D 8.50 4.35 0.00 2.78 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 16 T 8.31 3.83 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 1.20 0.00 0.00 17 A 8.20 4.03 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 18 T 8.14 3.82 4.41 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 1.21 0.00 0.00 19 S 7.96 4.13 0.00 4.01 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 20 V 7.90 3.72 2.24 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 1.01 0.00 0.00 1.01 0.00 0.00 21 I 7.93 3.77 1.90 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 1.55 1.08 1.06 0.00 0.00 22 N 8.07 4.81 0.00 2.88 2.85 0.00 0.00 7.01 7.80 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 23 G 7.71 3.90 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 0.00 0.00 0.00 24 I 6.55 4.70 1.89 0.00 0.00 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 1.48 0.83 0.91 0.00 0.00 25 P 0.00 4.39 0.00 2.13 2.07 0.00 3.71 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 26 V 8.22 3.76 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 0.77 0.00 0.00 0.95 0.00 0.00 27 S 8.28 4.78 0.00 4.01 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 28 D 8.84 4.28 0.00 2.22 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 0.00 0.00 0.00 0.00 29 F 8.32 4.46 0.00 2.42 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 30 Y 7.64 5.68 0.00 3.01 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 31 S 9.69 4.81 0.00 3.79 4.17 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 32 V 8.04 4.79 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 1.03 0.00 0.00 0.93 0.00 0.00 33 A 8.83 5.29 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 34 S 9.06 5.16 0.00 3.88 3.75 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 35 A 8.83 5.36 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 36 A 9.19 5.24 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 37 I 8.49 5.00 1.86 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 1.28 1.81 0.95 0.00 0.00 38 S 8.99 5.30 0.00 4.11 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 0.00 39 D 8.85 4.43 0.00 2.85 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 40 D 8.22 4.64 0.00 2.82 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 41 G 8.24 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 0.00 0.00 0.00 42 R 7.96 4.13 0.00 1.77 1.33 0.00 3.27 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 43 V 7.81 4.59 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 0.73 0.00 0.00 0.83 0.00 0.00 44 F 8.96 5.15 0.00 3.01 2.89 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 45 S 8.54 5.29 0.00 3.90 3.82 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 46 G 8.18 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.33 5.21 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 1.09 0.00 0.00 0.97 0.00 0.00 48 N 8.66 4.85 0.00 3.05 2.95 0.00 0.00 6.61 7.68 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 49 V 8.88 4.53 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 1.10 0.00 0.00 1.11 0.00 0.00 50 Y 8.86 4.90 0.00 2.89 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 51 H 8.27 4.27 0.00 3.05 2.90 0.00 5.73 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 F 8.29 4.17 0.00 3.10 2.97 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 53 N 7.36 4.42 0.00 2.42 2.68 0.00 0.00 7.18 7.65 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 54 G 8.23 3.90 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 0.00 0.00 0.00 55 G 8.27 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.62 0.00 2.17 2.22 0.00 3.75 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 2.13 2.03 0.00 57 C 8.79 4.61 0.00 2.94 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 58 A 8.91 4.03 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 59 E 8.23 3.93 0.00 2.10 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 0.00 2.43 2.50 0.00 60 L 7.88 4.15 0.00 1.82 1.73 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.81 3.59 2.27 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 1.02 0.00 0.00 1.06 0.00 0.00 62 V 8.05 3.65 2.30 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 1.15 0.00 0.00 1.03 0.00 0.00 63 L 8.08 4.08 0.00 1.92 1.75 1.00 0.94 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 64 G 8.01 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.90 3.50 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 1.09 0.00 0.00 0.97 0.00 0.00 66 A 7.99 2.58 1.05 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 0.00 0.00 67 A 7.97 3.84 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 68 A 7.81 3.88 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 69 A 7.22 4.41 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 70 G 7.86 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 71 A 7.63 4.36 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 72 T 8.28 4.12 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 1.28 0.00 0.00 73 K 7.97 4.50 0.00 1.79 1.99 0.00 1.70 0.00 0.00 1.99 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.45 7.81 74 L 8.53 5.20 0.00 1.46 1.51 0.76 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 75 T 8.78 4.51 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 1.24 0.00 0.00 76 H 7.99 5.45 0.00 3.09 3.19 0.00 5.81 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 I 8.71 5.26 1.90 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 1.31 1.47 0.98 0.00 0.00 78 V 8.86 4.93 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 0.64 0.00 0.00 0.94 0.00 0.00 79 A 8.58 5.25 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 80 I 8.94 5.08 1.88 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 1.17 1.29 0.92 0.00 0.00 81 A 9.02 4.62 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 82 N 8.38 4.54 0.00 2.92 3.16 0.00 0.00 6.95 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 83 E 9.39 3.97 0.00 2.11 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 0.00 2.19 2.29 0.00 84 G 8.11 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 85 R 7.66 4.34 0.00 2.19 1.97 0.00 3.14 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.74 0.00 86 G 8.08 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 0.00 0.00 0.00 87 I 8.33 4.31 1.87 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 1.35 0.58 0.92 0.00 0.00 88 L 8.37 4.80 0.00 1.50 1.56 0.91 0.77 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 89 S 8.73 4.49 0.00 3.76 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 90 P 0.00 4.54 0.00 2.19 2.08 0.00 3.39 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.93 0.00 91 C 8.56 4.52 0.00 3.18 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 92 G 8.50 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 0.00 0.00 0.00 93 R 7.95 3.90 0.00 1.88 1.94 0.00 3.17 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 94 C 8.10 4.12 0.00 3.16 2.99 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 95 R 8.18 3.93 0.00 2.04 2.01 0.00 3.15 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 96 Q 8.12 3.98 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.59 0.00 97 V 7.97 3.65 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 1.11 0.00 0.00 1.00 0.00 0.00 98 L 8.37 4.03 0.00 1.94 1.75 0.98 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 99 A 8.09 4.05 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 0.00 100 D 8.26 4.52 0.00 2.94 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 0.00 101 L 8.14 4.47 0.00 1.68 1.61 0.99 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 102 H 8.53 4.92 0.00 3.20 3.19 0.00 5.64 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 P 0.00 4.56 0.00 2.17 2.09 0.00 3.89 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 104 G 9.61 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 0.00 105 I 7.66 3.89 1.99 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 1.23 1.65 0.99 0.00 0.00 106 K 8.85 4.94 0.00 1.65 1.70 0.00 1.64 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.30 7.81 107 A 8.81 5.06 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 0.00 108 I 8.35 4.72 1.89 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 1.26 0.65 0.92 0.00 0.00 109 V 8.80 4.64 2.09 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 0.76 0.00 0.00 0.94 0.00 0.00 110 I 8.45 4.12 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.74 0.91 0.00 0.00 111 G 8.47 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 0.00 0.00 0.00 0.00 112 K 8.77 3.98 0.00 1.79 1.74 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.76 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.03 7.81 113 E 9.61 4.49 0.00 1.93 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 2.23 2.28 0.00 114 G 7.09 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 0.00 0.00 0.00 0.00 115 P 0.00 4.67 0.00 2.09 1.99 0.00 3.54 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 116 K 9.21 5.10 0.00 1.86 1.87 0.00 1.25 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.39 7.81 117 M 9.05 5.07 0.00 1.91 2.05 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.47 0.00 118 V 8.59 4.42 2.09 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 1.04 0.00 0.00 0.94 0.00 0.00 119 A 8.84 4.39 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 0.00 120 V 9.06 3.58 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 0.81 0.00 0.00 1.01 0.00 0.00 121 E 8.20 4.02 0.00 2.08 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 0.00 2.41 2.48 0.00 122 E 8.22 4.21 0.00 2.08 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 2.35 2.35 0.00 123 L 7.58 4.45 0.00 1.82 1.72 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 124 L 7.44 4.80 0.00 1.63 1.59 1.05 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.27 0.00 2.19 2.07 0.00 3.93 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 2.00 2.01 0.00 126 S 8.64 3.67 0.00 4.02 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 0.00 127 I 7.41 3.79 1.99 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 1.33 0.79 0.91 0.00 0.00 128 Y 8.59 4.38 0.00 3.12 2.89 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 0.00 129 A 7.64 4.62 1.10 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 0.00 0.00 130 W 8.42 4.23 0.00 3.33 3.25 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 0.00 131 D 8.67 4.39 0.00 2.66 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 K 7.85 2.51 0.00 1.40 1.30 0.00 1.59 0.00 0.00 1.78 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.57 1.09 7.81 133 D 7.67 4.30 0.00 2.63 2.65 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 0.00 0.00 0.00 *134 Y 7.10 4.70 0.00 2.32 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 0.00 0.00 0.00 135 D 8.50 5.03 0.00 2.73 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 0.00 136 R 7.60 4.74 0.00 1.80 1.85 0.00 3.29 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 137 I 8.27 4.54 1.83 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.20 0.64 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.