NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.8641 8.2133 109.7549 45.5296 0.0000 175.7087 *2 F 4.7591 7.9474 118.3070 57.6408 41.0315 177.3617 3 V 3.9926 8.0261 119.1311 66.3258 31.4204 177.9122 4 Q 4.0781 8.2210 117.8146 58.9613 28.5015 179.0368 5 S 4.1577 8.1477 115.5156 61.6762 63.1211 176.4299 6 A 4.0834 8.2042 123.4290 55.2370 18.0320 179.7206 7 L 4.1005 8.3338 117.6621 57.9403 41.6483 179.2170 8 H 4.1826 8.4655 118.5574 59.1135 29.6853 176.8624 9 Q 4.0066 8.1880 121.4908 59.3765 28.7620 178.4631 10 L 3.7928 7.8530 120.6371 57.8607 42.0891 178.7162 11 K 3.1426 8.2118 119.8307 59.2139 32.0216 178.8913 12 V 3.4174 7.7399 118.2712 65.7536 31.4299 177.7856 13 A 3.8706 7.5757 120.4804 55.0877 18.1446 179.7550 14 V 3.4438 7.4407 116.8041 66.3637 31.5025 177.8907 15 D 4.3262 8.4234 119.2069 57.5797 40.3610 179.0837 16 T 4.1319 7.8940 109.5964 64.9281 68.9895 176.7178 17 S 4.4603 8.1100 117.1636 61.3241 62.9167 176.4744 18 I 3.9338 7.8036 122.0515 64.0436 37.2605 179.4051 19 Q 4.3749 7.7930 119.2103 56.4299 28.5911 177.8839 *21 L 4.1749 7.9517 121.5207 55.8892 43.7291 178.3015 22 D 4.4322 7.6517 117.2082 56.7139 40.8140 177.0684 23 Q 4.1305 7.7170 115.8565 56.0765 28.9167 174.7118 24 Y 4.9125 7.2354 114.4423 55.9502 42.2791 174.9931 25 T 4.6639 8.1167 116.9876 61.9437 72.0939 176.0826 26 E 4.2221 8.6206 121.8996 59.7580 29.4760 179.7920 27 I 3.6321 7.6903 119.2057 64.5254 37.3418 177.8499 28 D 4.4234 8.1809 119.1120 57.6932 40.6928 178.9795 29 L 4.0888 8.1704 119.2075 57.6039 41.4011 179.7039 30 K 4.0520 7.9467 117.9311 59.2642 31.9577 179.3183 31 I 3.8209 7.7756 119.3282 63.2832 37.8946 176.5219 32 A 4.1168 7.5678 123.3915 51.3536 18.8878 175.4462 33 P 4.7340 0.0000 0.0000 62.2068 32.1604 176.3688 34 I 3.5982 8.2811 123.0030 64.8440 37.2186 178.1041 35 Q 4.3611 7.5006 126.5903 53.7145 27.0635 176.6818 36 S 4.5713 7.8495 118.5663 57.5519 65.1643 176.1340 37 K 4.2214 8.6550 125.4419 55.8788 32.0535 178.3100 38 R 4.7818 7.5975 115.2967 54.4846 32.5175 175.3869 39 S 5.0289 8.1139 113.7554 56.1813 65.5110 174.4165 40 L 4.0360 8.3852 122.8732 57.9910 41.9086 178.9182 41 F 4.1830 8.5572 120.9840 61.4250 39.6211 177.6799 42 E 4.1302 8.1249 117.8100 57.3657 29.0797 177.7726 *44 Y 4.5499 7.9816 116.8513 57.5671 39.9536 177.3015 45 A 3.8236 8.2853 121.0545 55.4717 18.5814 178.8866 46 H 4.3041 8.3169 116.7342 59.1823 29.9806 177.1452 47 L 3.6487 7.7733 122.0206 58.0852 41.7130 179.0002 48 S 4.3185 7.9529 112.8327 60.8055 63.1851 175.4647 49 L 4.4763 7.6274 121.1977 54.9269 41.7357 178.3627 50 I 3.7795 7.6055 120.8293 64.7624 37.2225 177.6786 51 C 4.1446 8.3099 116.6921 63.2954 27.9748 175.8621 52 H 4.1092 8.2955 116.6947 58.8501 28.4513 177.5277 53 A 3.8114 8.6318 122.7511 55.4814 18.2691 179.5288 54 D 4.4671 8.8179 117.6409 57.0907 40.8335 178.8571 55 L 3.9649 7.8631 120.7459 58.0250 42.1392 178.8423 56 L 3.8618 7.9476 119.0294 57.8158 41.5579 179.4972 57 I 3.6579 7.7614 119.5475 64.4354 36.8725 178.0841 58 L 3.2509 7.2590 119.4287 57.6901 41.7944 177.5066 59 N 4.8001 7.8488 114.6792 53.2898 39.4775 175.9014 60 G 3.8584 7.5470 106.3190 46.0790 0.0000 175.0504 61 S 4.2322 7.8509 115.3696 58.2521 63.5085 175.0200 62 T 4.2913 8.0982 114.0597 60.8042 71.0626 175.5364 63 E 2.5400 8.0911 121.1201 58.8602 29.5685 178.6031 64 K 3.8890 7.8018 119.1427 59.3008 32.2872 178.0884 65 E 3.9337 8.1069 119.6381 59.4519 29.5985 178.9102 66 L 4.2303 7.7715 118.4741 57.9051 41.6531 178.9185 67 H 4.2114 8.5398 118.3619 59.8019 29.8529 177.4052 68 T 3.9307 8.5122 117.8515 66.5951 68.2160 176.1799 69 F 4.2085 8.7866 122.8784 61.8491 39.2467 176.8869 70 Y 4.0304 8.0596 115.2583 60.6210 37.7010 178.4345 71 K 4.0738 8.1492 119.9807 59.4724 32.5146 178.0790 72 E 4.4000 8.3576 116.8746 57.4488 30.1774 176.9402 73 Q 4.3394 7.7923 116.0931 55.7037 28.8573 175.7037 74 T 3.9050 7.4934 115.8042 62.5197 68.9990 172.8442 75 P 4.3673 0.0000 0.0000 63.0460 31.8529 176.1071 76 E 4.8340 8.6966 119.3572 56.4981 30.3722 175.7789 77 T 4.9684 7.4527 107.7168 59.7371 72.1265 174.0606 78 I 3.6947 8.7769 123.1012 64.5961 37.6065 177.5481 79 A 4.1779 8.2842 122.7704 55.5670 18.3677 181.0639 80 Q 4.3707 7.7515 115.5620 55.9749 28.0290 178.8785 *82 Q 4.2661 8.2178 117.7262 56.0634 31.0948 177.3338 83 K 4.1362 8.2811 117.2834 59.9603 32.2618 180.1736 84 T 4.0831 8.1253 112.9133 64.3251 67.8786 176.2296 *86 I 4.1537 7.9203 124.1531 61.6932 39.3248 178.1119 87 Q 4.1331 8.4032 119.2405 58.9605 28.5073 179.1628 88 G 3.3582 8.3963 106.9691 47.7792 0.0000 175.0298 89 Y 3.9511 7.9497 121.6796 60.3417 38.8268 177.2475 90 D 4.2376 8.4908 119.3340 57.5533 41.3298 178.2366 91 L 3.8707 7.9899 120.6026 57.7720 41.9757 178.6986 92 L 3.9858 7.9261 120.4969 58.0859 42.0418 179.0435 93 S 3.9234 8.0045 115.3669 61.6682 62.5582 176.9232 94 K 3.9803 7.8815 119.7874 59.6899 31.9783 179.3671 95 T 3.6172 7.8314 116.0199 66.6515 68.3238 176.8961 96 F 3.7424 8.5235 119.8319 60.0687 38.7738 177.1866 97 L 4.3953 8.2083 117.3983 55.8903 41.6968 178.0671 98 S 4.4680 7.5071 113.2354 57.7951 64.0050 173.6517 99 Y 4.8703 6.8259 120.0191 57.5108 38.7844 176.1850 100 S 4.6098 8.8444 119.6124 57.5679 65.8158 175.1844 101 N 4.4816 8.6464 118.6570 56.4688 37.8953 177.4891 102 E 3.9664 8.0567 118.7973 59.5456 29.9659 178.9392 103 Q 3.9676 7.9191 117.5766 58.8636 28.6695 178.7142 104 L 4.0809 8.4653 120.2186 57.6106 41.4603 179.0252 105 A 4.1570 7.9890 119.0337 55.5203 19.2387 179.3678 106 E 4.1773 7.8899 118.2744 55.6182 31.8406 175.4449 *108 K 4.3950 8.5795 115.5326 56.8122 34.0049 174.9765 109 T 4.8843 8.4422 121.2778 61.9788 69.7705 174.9747 110 A 3.8091 8.6369 129.8730 51.2594 19.0010 177.7935 111 Y 4.1323 7.9981 118.0322 59.7880 37.8873 177.5517 112 W 4.5898 7.1589 114.6984 56.4963 28.5285 176.0319 113 G 4.0188 7.8783 108.8366 45.6843 0.0000 174.7325 114 I 3.6051 7.1808 113.5775 60.5579 38.2163 174.2934 115 S 5.1126 8.1465 118.7770 56.7823 63.9352 172.4391 116 Y 5.1976 8.6788 123.8946 55.8140 42.0008 175.4081 117 S 4.6225 8.6776 115.3401 58.4449 64.3942 175.5019 118 R 4.2967 8.8849 120.7725 59.5881 29.8301 179.1706 119 F 4.2583 8.7988 120.7820 61.4998 39.4360 176.8212 120 E 3.6241 8.3996 118.7826 58.6949 29.2134 178.6224 121 W 4.0540 8.1653 119.1565 59.8047 29.3303 177.9043 122 L 3.5763 7.7808 120.0022 58.2738 41.1552 179.1572 123 L 3.8191 7.1492 118.1752 57.5369 41.4971 178.9946 124 E 3.8350 8.3721 119.7152 59.2056 29.4505 178.9894 125 I 4.0470 8.1960 120.1995 64.4049 37.1797 178.3912 126 V 3.6837 7.7499 118.6426 66.0585 31.3350 177.8725 127 A 4.1047 8.3678 120.6284 55.4378 18.2611 178.9231 128 H 4.1762 8.9410 117.0447 59.5124 29.9334 177.1503 129 F 3.9460 8.7858 122.6358 61.6978 39.2001 176.7144 130 Y 4.1395 8.4578 116.4253 61.1601 37.6053 177.9202 131 H 4.1462 8.9355 119.7160 59.7654 30.0486 176.7868 132 H 4.0818 8.3332 119.8873 59.2644 29.6166 177.2476 133 R 3.8315 8.1820 120.7988 59.0094 29.8988 178.7688 134 G 3.5696 8.3103 106.1026 47.7063 0.0000 175.6529 135 Q 3.9020 7.8811 120.5183 58.7159 28.7209 179.0454 136 I 3.4792 7.3898 120.5779 64.4975 36.8731 177.6508 137 H 3.9955 7.9470 117.6619 59.5603 30.0451 176.6341 138 I 3.8245 7.5970 119.5618 64.0843 37.6585 177.6170 139 L 4.1507 7.4280 118.0567 56.7352 41.5546 178.7432 140 L 4.1711 7.6055 118.1942 56.3925 41.7557 176.6147 141 C 4.4994 7.7714 116.2917 61.4489 28.7758 173.5699 142 E 4.1190 8.2834 124.3959 56.9953 29.2758 175.3250 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 G 8.21 3.86 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 0.00 0.00 0.00 *2 F 7.95 4.76 0.00 2.96 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.03 3.99 2.28 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 1.44 0.00 0.00 1.29 0.00 0.00 4 Q 8.22 4.08 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.43 2.59 0.00 5 S 8.15 4.16 0.00 4.16 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 6 A 8.20 4.08 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 7 L 8.33 4.10 0.00 1.80 1.85 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 8 H 8.47 4.18 0.00 3.33 3.50 0.00 5.60 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 9 Q 8.19 4.01 0.00 2.42 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.42 2.64 0.00 10 L 7.85 3.79 0.00 1.82 1.90 0.56 0.52 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 11 K 8.21 3.14 0.00 1.63 1.55 0.00 1.58 0.00 0.00 1.45 0.00 0.00 2.90 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.15 0.29 7.81 12 V 7.74 3.42 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 0.98 0.00 0.00 0.75 0.00 0.00 13 A 7.58 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 V 7.44 3.44 1.83 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 0.93 0.00 0.00 0.56 0.00 0.00 15 D 8.42 4.33 0.00 2.66 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 16 T 7.89 4.13 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 1.28 0.00 0.00 17 S 8.11 4.46 0.00 4.28 4.22 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.80 3.93 2.01 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 1.59 0.64 0.90 0.00 0.00 19 Q 7.79 4.37 0.00 2.22 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.38 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 *21 L 7.95 4.17 0.00 1.76 1.66 0.76 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 22 D 7.65 4.43 0.00 2.75 2.68 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 0.00 0.00 0.00 0.00 23 Q 7.72 4.13 0.00 1.10 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.81 0.00 0.00 0.00 0.00 0.00 2.26 2.14 0.00 24 Y 7.24 4.91 0.00 2.91 2.81 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 0.00 0.00 0.00 25 T 8.12 4.66 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 1.24 0.00 0.00 26 E 8.62 4.22 0.00 2.02 1.95 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 2.72 2.52 0.00 27 I 7.69 3.63 1.87 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.85 0.90 0.00 0.00 28 D 8.18 4.42 0.00 2.95 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 29 L 8.17 4.09 0.00 2.13 2.02 0.90 0.28 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 30 K 7.95 4.05 0.00 1.81 1.74 0.00 1.34 0.00 0.00 1.38 0.00 0.00 2.28 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.06 0.95 7.81 31 I 7.78 3.82 1.88 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 1.64 0.74 0.91 0.00 0.00 32 A 7.57 4.12 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 33 P 0.00 4.73 0.00 2.15 2.22 0.00 3.67 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.06 0.00 34 I 8.28 3.60 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 0.81 0.91 0.00 0.00 35 Q 7.50 4.36 0.00 2.06 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.82 0.00 0.00 0.00 0.00 0.00 2.22 1.90 0.00 36 S 7.85 4.57 0.00 3.74 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 37 K 8.65 4.22 0.00 1.81 1.70 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.74 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.33 1.02 7.81 38 R 7.60 4.78 0.00 1.77 1.81 0.00 3.00 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.49 0.00 39 S 8.11 5.03 0.00 4.14 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 40 L 8.39 4.04 0.00 1.83 1.83 0.85 0.59 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 41 F 8.56 4.18 0.00 3.25 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 42 E 8.12 4.13 0.00 2.21 1.95 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 2.31 2.16 0.00 *44 Y 7.98 4.55 0.00 3.05 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 45 A 8.29 3.82 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 46 H 8.32 4.30 0.00 3.35 3.23 0.00 5.60 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 L 7.77 3.65 0.00 1.52 1.75 -0.18 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 48 S 7.95 4.32 0.00 4.11 4.01 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 49 L 7.63 4.48 0.00 1.72 1.47 0.41 0.38 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 50 I 7.61 3.78 2.16 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.75 0.97 0.00 0.00 51 C 8.31 4.14 0.00 3.03 3.08 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 52 H 8.30 4.11 0.00 3.62 3.39 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.63 3.81 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 54 D 8.82 4.47 0.00 3.02 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 55 L 7.86 3.96 0.00 1.92 1.85 0.98 0.60 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 56 L 7.95 3.86 0.00 1.76 1.56 0.13 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.76 3.66 1.89 0.00 0.00 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 1.79 1.34 0.47 0.00 0.00 58 L 7.26 3.25 0.00 1.16 1.78 0.77 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 59 N 7.85 4.80 0.00 2.73 2.75 0.00 0.00 7.09 7.23 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 60 G 7.55 3.86 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 0.00 0.00 0.00 61 S 7.85 4.23 0.00 3.90 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 62 T 8.10 4.29 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 1.19 0.00 0.00 63 E 8.09 2.54 0.00 1.54 1.75 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 2.23 2.08 0.00 64 K 7.80 3.89 0.00 1.82 1.76 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.50 7.81 65 E 8.11 3.93 0.00 2.07 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 2.26 2.34 0.00 66 L 7.77 4.23 0.00 1.96 2.05 1.13 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 67 H 8.54 4.21 0.00 3.36 3.51 0.00 5.79 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 68 T 8.51 3.93 4.46 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 1.27 0.00 0.00 69 F 8.79 4.21 0.00 3.10 3.17 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 70 Y 8.06 4.03 0.00 3.02 2.91 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 71 K 8.15 4.07 0.00 1.81 1.98 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.47 7.81 72 E 8.36 4.40 0.00 2.04 1.98 0.00 0.00 0.00 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 2.35 0.00 73 Q 7.79 4.34 0.00 1.33 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.57 0.00 74 T 7.49 3.91 4.23 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 0.00 0.00 0.00 1.21 0.00 0.00 75 P 0.00 4.37 0.00 1.94 1.94 0.00 3.55 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 1.96 2.04 0.00 76 E 8.70 4.83 0.00 1.99 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 2.30 2.31 0.00 77 T 7.45 4.97 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 1.27 0.00 0.00 78 I 8.78 3.69 1.89 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 1.30 0.64 0.89 0.00 0.00 79 A 8.28 4.18 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 80 Q 7.75 4.37 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.18 6.34 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 *82 Q 8.22 4.27 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.41 7.06 0.00 0.00 0.00 0.00 0.00 2.24 2.50 0.00 83 K 8.28 4.14 0.00 1.96 1.88 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.57 7.81 84 T 8.13 4.08 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 1.30 0.00 0.00 *86 I 7.92 4.15 2.04 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 1.60 0.98 0.96 0.00 0.00 87 Q 8.40 4.13 0.00 2.41 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.58 0.00 88 G 8.40 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 0.00 0.00 0.00 89 Y 7.95 3.95 0.00 3.05 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 90 D 8.49 4.24 0.00 2.96 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 91 L 7.99 3.87 0.00 1.87 1.71 0.87 0.42 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 92 L 7.93 3.99 0.00 1.96 1.64 1.07 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 93 S 8.00 3.92 0.00 3.70 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 94 K 7.88 3.98 0.00 1.67 1.79 0.00 1.66 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.54 7.81 95 T 7.83 3.62 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 0.63 0.00 0.00 96 F 8.52 3.74 0.00 3.25 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 97 L 8.21 4.40 0.00 1.60 1.71 0.92 0.86 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 98 S 7.51 4.47 0.00 3.92 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 99 Y 6.83 4.87 0.00 3.06 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 0.00 100 S 8.84 4.61 0.00 4.10 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 0.00 101 N 8.65 4.48 0.00 2.76 2.91 0.00 0.00 6.81 7.66 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 0.00 102 E 8.06 3.97 0.00 1.93 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 2.31 2.34 0.00 103 Q 7.92 3.97 0.00 2.27 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 104 L 8.47 4.08 0.00 1.86 1.91 1.06 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 105 A 7.99 4.16 1.36 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 0.00 0.00 106 E 7.89 4.18 0.00 2.19 1.83 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 2.22 2.31 0.00 *108 K 8.58 4.39 0.00 1.91 1.74 0.00 1.66 0.00 0.00 1.78 0.00 0.00 2.80 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.41 7.81 109 T 8.44 4.88 4.18 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 1.14 0.00 0.00 110 A 8.64 3.81 -0.17 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 0.00 111 Y 8.00 4.13 0.00 3.09 3.31 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 0.00 112 W 7.16 4.59 0.00 3.39 3.26 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 0.00 113 G 7.88 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.18 3.61 1.43 0.00 0.00 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 0.92 0.32 1.04 0.00 0.00 115 S 8.15 5.11 0.00 3.79 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 0.00 116 Y 8.68 5.20 0.00 2.11 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 0.00 0.00 0.00 0.00 117 S 8.68 4.62 0.00 4.15 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 0.00 118 R 8.88 4.30 0.00 2.13 2.11 0.00 2.21 0.00 0.00 2.59 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.55 0.00 119 F 8.80 4.26 0.00 3.29 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 0.00 120 E 8.40 3.62 0.00 1.96 1.58 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 1.47 1.93 0.00 121 W 8.17 4.05 0.00 3.87 3.40 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 0.00 122 L 7.78 3.58 0.00 0.34 1.14 0.43 0.37 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 0.00 123 L 7.15 3.82 0.00 1.56 1.50 0.85 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 124 E 8.37 3.83 0.00 1.49 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 2.32 2.42 0.00 125 I 8.20 4.05 2.04 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.94 1.02 0.00 0.00 126 V 7.75 3.68 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 1.22 0.00 0.00 0.98 0.00 0.00 127 A 8.37 4.10 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 0.00 128 H 8.94 4.18 0.00 3.48 3.67 0.00 5.61 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 F 8.79 3.95 0.00 3.19 2.91 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 0.00 130 Y 8.46 4.14 0.00 3.29 3.04 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 0.00 131 H 8.94 4.15 0.00 3.31 3.62 0.00 5.79 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 0.00 132 H 8.33 4.08 0.00 3.32 3.08 0.00 5.84 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 R 8.18 3.83 0.00 1.71 2.02 0.00 3.23 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 134 G 8.31 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 0.00 135 Q 7.88 3.90 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.19 2.28 0.00 136 I 7.39 3.48 1.69 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.37 0.25 0.00 0.00 137 H 7.95 4.00 0.00 3.24 3.51 0.00 5.76 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 I 7.60 3.82 1.88 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 1.52 1.05 0.93 0.00 0.00 139 L 7.43 4.15 0.00 1.65 1.64 0.84 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 140 L 7.61 4.17 0.00 1.77 1.78 1.07 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 141 C 7.77 4.50 0.00 3.07 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 0.00 142 E 8.28 4.12 0.00 2.03 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 2.25 0.00 * Residues marked with a * may have inaccurate shift predictions.