NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 R 4.3493 8.2431 119.7043 55.2530 31.6293 176.7079 4 G 4.1336 8.4905 118.3725 44.3747 0.0000 171.8671 5 C 4.6136 8.8284 125.0587 55.1541 45.6558 172.8817 6 A 3.9502 8.3976 131.5132 52.4952 18.1805 177.6376 7 R 4.1003 8.2671 120.8448 56.9689 30.7833 177.2458 8 W 4.7452 6.8465 113.5864 55.9861 28.5454 176.9586 9 C 4.0751 7.5183 116.8451 56.8713 36.8128 172.0215 10 P 4.5570 0.0000 0.0000 61.9261 31.8069 175.3101 11 Q 3.8010 8.3761 119.7298 58.0937 29.2009 176.0045 12 D 4.1871 8.8245 122.8984 54.9493 37.8400 173.2111 13 S 5.1737 7.5540 111.6700 56.8686 66.5415 173.1917 14 S 4.8552 8.8642 116.4630 56.3564 66.9203 171.2284 15 C 4.6625 8.6822 117.8024 55.9355 41.4738 173.8530 16 V 3.9153 8.4720 116.0777 62.3470 32.9768 175.4509 17 N 4.7867 7.4842 114.4245 53.3919 39.0478 174.4706 18 A 4.0508 8.7278 119.6041 55.1484 18.7709 178.4039 19 T 5.1633 8.4751 103.6825 61.0963 70.3632 173.6855 20 A 5.1240 7.8494 122.1170 51.5730 23.0507 176.1762 21 C 5.3617 9.1916 116.1252 55.4490 45.4781 173.0515 22 R 5.0077 8.6912 118.9733 54.8444 33.3134 173.6604 23 C 4.8160 8.9270 123.2161 57.2435 35.6425 173.3959 24 N 4.7680 9.1259 120.2578 52.2137 39.8249 172.9675 25 P 4.4566 0.0000 0.0000 64.5256 31.8454 177.2174 26 G 3.8522 9.4581 110.8222 44.8076 0.0000 172.3476 27 F 5.3905 7.7563 116.6231 55.6647 42.7155 174.4673 28 S 4.9610 9.5975 115.2846 56.7476 66.0154 172.8373 29 S 5.1075 8.5387 118.5284 56.4274 65.7585 173.6361 30 F 4.2440 9.3110 123.4658 61.3098 39.4978 175.7154 31 S 4.6789 7.9511 115.9164 56.7802 64.2344 175.1221 32 E 3.9481 8.6446 121.0415 58.2162 29.8041 176.9868 33 I 4.6342 7.0047 117.7554 59.2312 39.8071 175.0060 34 I 4.4655 9.0560 127.1182 60.5479 37.6157 176.5238 35 T 4.9698 9.2787 113.9801 61.4304 69.8287 173.6809 36 T 4.1006 7.7003 111.7287 59.3193 71.7708 172.6659 37 P 4.8133 0.0000 0.0000 64.6548 31.8375 177.2034 38 M 4.2270 7.3390 118.2577 57.3891 31.9363 176.7684 39 E 4.2909 7.8187 117.8602 56.2780 30.3132 175.6171 40 T 4.6819 8.2561 110.8915 60.1913 71.9973 174.3638 41 C 5.0835 8.7782 120.5691 55.6780 38.2430 172.9940 42 D 5.0809 9.0345 124.6880 52.8537 42.4617 176.0598 43 D 4.4977 8.9160 121.5514 54.6849 42.1591 175.2656 44 I 4.2059 7.9747 126.1762 59.9204 38.7082 175.7857 45 N 4.8779 8.5858 125.6535 51.6096 37.6935 174.8995 46 E 3.8568 8.3992 125.6612 59.0453 29.7790 179.8052 47 C 4.3040 8.1027 114.1269 58.0609 40.2696 173.8165 48 A 4.3470 7.5285 121.4652 52.0571 18.7637 177.7595 49 T 3.8331 6.7085 113.5269 65.2209 69.2405 174.3041 *54 S 4.1747 7.6476 112.2340 58.5901 63.3949 175.8304 55 C 4.4878 8.6681 124.5962 58.1463 40.8058 173.2534 56 G 4.0697 8.0249 104.2890 43.5754 0.0000 172.8993 57 K 3.6985 8.3572 117.2754 57.8187 33.3425 176.5461 58 F 3.8540 8.0945 117.5883 58.6085 36.4842 174.6116 59 S 5.4645 7.4639 112.9294 56.9245 66.6937 172.5165 60 D 4.8907 9.6689 118.4431 52.7502 45.2517 174.0220 61 C 4.9087 8.6089 121.5986 54.9349 43.8980 172.6222 62 W 4.7012 9.4466 126.7687 54.7266 31.2867 174.6241 63 N 5.0630 8.8743 124.6072 53.5824 39.8937 173.9637 64 T 4.6537 8.5879 114.4372 59.3749 72.2004 172.8287 65 E 4.2744 8.6203 121.1471 58.5367 28.8381 177.6480 66 G 3.6619 10.8201 114.4085 45.1752 0.0000 172.6452 67 S 4.2836 7.0377 114.7253 59.0168 65.0118 171.8638 68 Y 5.0557 7.4979 115.4239 57.0110 40.1316 173.2517 69 D 4.6349 9.0338 119.5458 52.8608 45.7783 173.8833 70 C 5.1258 8.8343 120.1608 55.7282 40.4470 173.3124 71 V 4.9628 8.6361 115.6628 59.4041 35.8944 174.4340 72 C 5.0877 9.0538 120.4767 57.1826 41.4905 174.0215 73 S 4.8818 9.2645 119.1907 57.0978 64.1128 172.1554 74 P 4.5821 0.0000 0.0000 64.2561 31.5273 177.0892 75 G 3.9424 9.2126 110.2614 46.1069 0.0000 172.5264 76 Y 5.0881 7.7627 116.1918 56.0644 41.3903 174.5282 77 E 5.0026 8.8783 119.2698 53.9761 34.0354 172.5625 78 P 4.6849 0.0000 0.0000 62.7694 32.0613 177.0637 79 V 3.7520 9.5455 126.6689 66.0016 31.4250 177.5923 80 S 4.1630 8.3507 114.2143 59.6148 63.1218 175.1139 81 G 3.8660 7.8845 108.9120 45.0293 0.0000 173.3473 82 A 4.1091 7.6693 123.7560 51.7696 18.2694 178.4027 83 K 4.1454 8.8212 123.2142 59.7560 32.9651 177.4857 84 T 4.9159 7.2411 111.2015 61.6729 71.9900 172.5779 85 F 4.9973 8.3487 117.7143 56.1476 41.1347 174.8539 86 K 4.3601 9.6163 119.9201 56.9498 33.7819 176.2068 87 N 5.3263 8.1401 114.1241 50.8482 40.7051 174.4863 88 E 4.2399 9.0158 118.9494 58.6562 29.6621 179.3302 89 S 4.1416 8.1521 111.7937 60.7684 63.0329 174.5326 90 E 4.3103 8.0252 118.3604 55.8088 29.6074 175.2745 91 N 3.4207 7.7351 119.6866 53.2860 39.0078 174.5961 92 T 4.6928 7.6717 116.9660 61.5456 70.1763 173.9378 93 C 5.3642 9.1744 120.8141 58.1802 42.0590 173.4907 94 Q 4.9806 9.1754 122.1961 53.5994 32.9124 174.4233 95 D 4.2407 8.7170 121.0100 54.5608 42.1425 175.6651 96 V 3.8948 7.9270 125.6916 61.8932 32.5331 176.3506 97 D 4.8069 8.4862 129.4618 52.7841 40.2941 175.9196 98 E 3.8559 8.4400 126.5606 58.8206 29.0595 179.6250 99 C 4.2666 7.9912 116.4287 60.1074 40.2464 176.0454 100 S 4.0647 8.0377 115.7272 61.4279 62.5378 176.4698 101 S 4.3127 8.0669 115.1451 58.6830 62.9806 174.9052 102 G 3.7588 7.2108 109.3618 46.6378 0.0000 174.7259 103 Q 4.0652 7.5231 119.7233 57.0069 29.1487 176.4362 104 H 3.9415 7.4625 112.7891 55.5556 28.9610 174.6643 105 Q 4.7150 8.4240 117.8595 55.6480 29.3669 175.9932 106 C 4.5579 8.4069 114.2249 56.8754 38.8326 173.4331 107 D 4.6713 8.4148 121.7898 53.6953 41.4884 177.3905 108 S 4.2166 8.6360 119.5774 60.1918 62.8954 174.8891 109 S 3.7204 7.9242 115.2560 58.7034 63.3599 173.1315 110 T 4.7826 7.8091 111.2024 59.9000 72.3014 173.1808 111 V 4.3850 8.7875 121.5166 59.5581 33.9129 174.4946 112 C 4.7904 8.7652 125.0103 56.6789 43.3997 172.2038 113 F 5.0182 9.5782 128.3153 56.1868 41.7402 173.5136 114 N 4.6819 8.6886 125.7938 53.6034 40.0799 173.8810 115 T 4.2745 8.2055 114.5395 59.1967 72.0393 173.3485 116 V 3.7242 8.1105 122.2218 64.9575 31.4353 176.1651 117 G 3.6030 10.8529 117.9683 45.2835 0.0000 171.9580 118 S 4.3623 7.0959 113.5430 59.1937 65.0179 171.7900 119 Y 4.8509 7.5781 115.9001 57.0323 40.4660 172.7812 120 S 4.6461 9.0185 114.3057 57.4495 67.4740 171.8118 121 C 5.5367 9.0501 116.2815 55.3225 41.6870 173.9430 122 R 5.4965 8.7517 121.9791 52.2190 33.5571 176.6807 123 C 4.3376 9.2089 115.9299 57.5816 39.0304 175.8191 *126 G 3.9386 8.1818 116.5691 46.1655 0.0000 173.7156 127 W 4.6755 8.2365 120.7704 55.3149 31.2171 175.1622 128 K 4.8556 8.4647 118.6391 53.8994 35.8415 174.5333 129 P 4.8330 0.0000 0.0000 62.7338 31.8503 176.7477 130 R 4.4818 9.0004 122.7602 55.7637 31.5334 176.0252 131 H 4.1594 8.4756 116.9308 57.3504 28.8051 176.0457 132 G 4.0057 9.1897 110.7785 45.1738 0.0000 173.0672 133 I 4.4888 7.0769 119.8497 58.7471 39.6096 173.9691 134 P 4.5369 0.0000 0.0000 61.9941 32.4637 175.2322 135 N 4.6350 8.3573 117.7292 54.0695 39.8837 173.8931 136 N 4.4876 8.3587 118.9914 55.1010 37.7592 173.6839 137 Q 4.7497 7.9721 113.5450 53.1200 32.5486 177.0325 138 K 3.9876 8.5259 118.3070 58.9073 32.1356 178.0161 139 D 4.8165 7.8323 115.6683 52.9305 39.7384 176.4489 140 T 3.9242 7.6789 116.8339 64.4217 68.9899 173.5110 141 V 4.4533 8.2911 124.5913 61.5868 34.9393 174.9360 142 C 5.6932 8.7442 125.1948 55.7015 43.7183 173.8836 143 E 4.5574 9.4757 117.5963 57.3566 28.8325 175.3314 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 3 R 8.24 4.35 0.00 1.81 1.79 0.00 3.12 0.00 0.00 3.23 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 4 G 8.49 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 0.00 0.00 0.00 5 C 8.83 4.61 0.00 2.83 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 6 A 8.40 3.95 0.33 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 7 R 8.27 4.10 0.00 1.85 1.98 0.00 3.24 0.00 0.00 3.30 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 8 W 6.85 4.75 0.00 3.55 3.22 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 9 C 7.52 4.08 0.00 2.79 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 10 P 0.00 4.56 0.00 2.24 2.32 0.00 3.79 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 11 Q 8.38 3.80 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.67 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 12 D 8.82 4.19 0.00 2.29 1.54 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 0.00 0.00 0.00 0.00 13 S 7.55 5.17 0.00 3.87 3.72 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 14 S 8.86 4.86 0.00 3.69 3.68 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 15 C 8.68 4.66 0.00 2.97 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.47 3.92 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 0.71 0.00 0.00 0.97 0.00 0.00 17 N 7.48 4.79 0.00 2.89 2.89 0.00 0.00 6.63 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 18 A 8.73 4.05 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 19 T 8.48 5.16 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 1.31 0.00 0.00 20 A 7.85 5.12 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 21 C 9.19 5.36 0.00 2.79 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 22 R 8.69 5.01 0.00 1.85 1.69 0.00 3.10 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 23 C 8.93 4.82 0.00 2.98 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 24 N 9.13 4.77 0.00 2.74 2.86 0.00 0.00 6.97 7.73 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 25 P 0.00 4.46 0.00 2.09 2.04 0.00 3.72 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 26 G 9.46 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 27 F 7.76 5.39 0.00 3.07 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 28 S 9.60 4.96 0.00 3.82 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 29 S 8.54 5.11 0.00 3.95 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 30 F 9.31 4.24 0.00 2.99 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 31 S 7.95 4.68 0.00 4.14 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 32 E 8.64 3.95 0.00 2.07 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 2.25 2.33 0.00 33 I 7.00 4.63 1.91 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 1.31 0.97 0.96 0.00 0.00 34 I 9.06 4.47 2.08 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 1.08 1.23 1.23 0.00 0.00 35 T 9.28 4.97 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 1.30 0.00 0.00 36 T 7.70 4.10 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 1.10 0.00 0.00 37 P 0.00 4.81 0.00 2.25 2.58 0.00 3.32 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.76 0.00 38 M 7.34 4.23 0.00 1.93 2.13 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.51 0.00 39 E 7.82 4.29 0.00 2.17 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 2.39 2.28 0.00 40 T 8.26 4.68 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 1.28 0.00 0.00 41 C 8.78 5.08 0.00 2.94 3.07 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 42 D 9.03 5.08 0.00 2.68 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 43 D 8.92 4.50 0.00 2.94 2.59 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 44 I 7.97 4.21 1.87 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 1.10 0.69 0.86 0.00 0.00 45 N 8.59 4.88 0.00 2.69 2.68 0.00 0.00 7.69 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 46 E 8.40 3.86 0.00 1.68 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 2.29 2.27 0.00 47 C 8.10 4.30 0.00 3.02 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.53 4.35 1.20 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 0.00 0.00 0.00 49 T 6.71 3.83 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 1.15 0.00 0.00 *54 S 7.65 4.17 0.00 3.86 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 55 C 8.67 4.49 0.00 3.07 3.20 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 0.00 56 G 8.02 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 0.00 0.00 0.00 57 K 8.36 3.70 0.00 0.79 1.50 0.00 1.59 0.00 0.00 1.58 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.31 7.81 58 F 8.09 3.85 0.00 2.97 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 7.46 5.46 0.00 4.34 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 0.00 60 D 9.67 4.89 0.00 2.82 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 61 C 8.61 4.91 0.00 2.90 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 62 W 9.45 4.70 0.00 3.22 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 63 N 8.87 5.06 0.00 2.98 2.70 0.00 0.00 6.66 7.22 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 64 T 8.59 4.65 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 1.31 0.00 0.00 65 E 8.62 4.27 0.00 2.07 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 2.38 2.34 0.00 66 G 10.82 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 67 S 7.04 4.28 0.00 3.75 3.56 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 0.00 0.00 0.00 0.00 68 Y 7.50 5.06 0.00 3.06 3.01 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 69 D 9.03 4.63 0.00 2.54 2.44 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 0.00 70 C 8.83 5.13 0.00 1.37 1.74 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 71 V 8.64 4.96 2.13 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 0.75 0.00 0.00 1.19 0.00 0.00 72 C 9.05 5.09 0.00 3.03 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 73 S 9.26 4.88 0.00 3.90 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 74 P 0.00 4.58 0.00 2.13 2.07 0.00 3.80 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.20 0.00 75 G 9.21 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 76 Y 7.76 5.09 0.00 3.09 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 77 E 8.88 5.00 0.00 2.01 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 2.19 2.26 0.00 78 P 0.00 4.68 0.00 2.22 2.28 0.00 3.75 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 79 V 9.55 3.75 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 0.77 0.00 0.00 0.94 0.00 0.00 80 S 8.35 4.16 0.00 3.99 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 81 G 7.88 3.87 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 0.00 0.00 0.00 82 A 7.67 4.11 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 83 K 8.82 4.15 0.00 1.89 1.98 0.00 1.50 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.47 7.81 84 T 7.24 4.92 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 1.20 0.00 0.00 85 F 8.35 5.00 0.00 3.41 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 86 K 9.62 4.36 0.00 1.87 1.93 0.00 1.34 0.00 0.00 0.93 0.00 0.00 2.61 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.25 1.40 7.81 87 N 8.14 5.33 0.00 2.89 2.98 0.00 0.00 5.90 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 88 E 9.02 4.24 0.00 2.16 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 2.31 2.23 0.00 89 S 8.15 4.14 0.00 4.02 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 90 E 8.03 4.31 0.00 2.19 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 2.30 2.27 0.00 91 N 7.74 3.42 0.00 2.63 2.70 0.00 0.00 6.87 7.20 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 92 T 7.67 4.69 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 1.11 0.00 0.00 93 C 9.17 5.36 0.00 3.05 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 94 Q 9.18 4.98 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.97 0.00 0.00 0.00 0.00 0.00 2.50 2.45 0.00 95 D 8.72 4.24 0.00 2.35 2.42 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 96 V 7.93 3.89 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 0.73 0.00 0.00 1.00 0.00 0.00 97 D 8.49 4.81 0.00 2.68 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.44 3.86 0.00 1.71 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 99 C 7.99 4.27 0.00 3.02 3.06 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 0.00 100 S 8.04 4.06 0.00 3.81 3.88 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 0.00 101 S 8.07 4.31 0.00 3.97 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 0.00 102 G 7.21 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 0.00 0.00 0.00 103 Q 7.52 4.07 0.00 1.86 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.88 0.00 0.00 0.00 0.00 0.00 2.30 2.20 0.00 104 H 7.46 3.94 0.00 2.31 2.36 0.00 5.66 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 0.00 105 Q 8.42 4.72 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.94 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 106 C 8.41 4.56 0.00 2.89 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 D 8.41 4.67 0.00 2.76 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.64 4.22 0.00 3.98 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 0.00 109 S 7.92 3.72 0.00 3.97 4.03 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 0.00 0.00 0.00 110 T 7.81 4.78 4.34 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 1.18 0.00 0.00 111 V 8.79 4.39 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 0.72 0.00 0.00 0.90 0.00 0.00 112 C 8.77 4.79 0.00 2.56 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 0.00 113 F 9.58 5.02 0.00 3.03 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 0.00 114 N 8.69 4.68 0.00 2.78 2.54 0.00 0.00 6.66 7.22 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 0.00 115 T 8.21 4.27 4.10 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 0.45 0.00 0.00 116 V 8.11 3.72 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 0.87 0.00 0.00 0.93 0.00 0.00 117 G 10.85 3.60 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 0.00 0.00 0.00 118 S 7.10 4.36 0.00 3.69 3.54 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 0.00 0.00 0.00 0.00 119 Y 7.58 4.85 0.00 2.89 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 0.00 120 S 9.02 4.65 0.00 3.94 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 0.00 121 C 9.05 5.54 0.00 2.98 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.75 5.50 0.00 1.68 1.74 0.00 3.01 0.00 0.00 3.12 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.46 0.00 123 C 9.21 4.34 0.00 2.98 2.33 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 *126 G 8.18 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 0.00 127 W 8.24 4.68 0.00 3.10 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 0.00 128 K 8.46 4.86 0.00 1.74 1.68 0.00 1.62 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.52 7.81 129 P 0.00 4.83 0.00 1.96 2.08 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 130 R 9.00 4.48 0.00 1.94 1.85 0.00 3.16 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.61 0.00 131 H 8.48 4.16 0.00 3.22 3.33 0.00 5.56 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 G 9.19 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 0.00 0.00 0.00 133 I 7.08 4.49 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 1.32 0.76 0.93 0.00 0.00 134 P 0.00 4.54 0.00 2.05 1.99 0.00 3.68 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 2.07 0.00 135 N 8.36 4.63 0.00 2.73 2.67 0.00 0.00 6.58 6.71 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 0.00 136 N 8.36 4.49 0.00 2.85 2.96 0.00 0.00 6.93 6.97 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 0.00 137 Q 7.97 4.75 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.19 6.58 0.00 0.00 0.00 0.00 0.00 2.26 2.43 0.00 138 K 8.53 3.99 0.00 1.64 1.79 0.00 1.51 0.00 0.00 1.24 0.00 0.00 2.32 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.74 1.07 7.81 139 D 7.83 4.82 0.00 2.78 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 0.00 140 T 7.68 3.92 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 1.22 0.00 0.00 141 V 8.29 4.45 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 1.22 0.00 0.00 1.04 0.00 0.00 142 C 8.74 5.69 0.00 3.11 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 0.00 143 E 9.48 4.56 0.00 1.84 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 2.25 2.21 0.00 * Residues marked with a * may have inaccurate shift predictions.