NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 25 Q 4.5811 8.3449 121.9749 56.0133 30.4990 174.0716 26 I 4.6347 8.6976 126.4752 59.1961 40.7664 172.6016 27 D 5.3770 10.1686 128.2001 52.5246 44.0756 175.0624 28 L 5.0741 9.0591 123.4937 53.0965 44.4654 175.2042 29 N 5.2709 9.1907 123.2189 52.5615 39.8754 175.0821 30 V 5.1223 8.5172 117.0704 59.7990 34.8858 175.6903 31 T 4.5846 8.4311 114.4218 60.3309 70.7759 173.5842 32 C 4.3209 8.8716 118.8414 57.8397 36.5700 173.9369 33 R 4.7485 8.3721 120.1494 55.3753 31.9983 175.3500 34 Y 4.7278 8.6256 120.1227 55.9568 41.1628 175.7386 35 A 4.1272 9.2439 129.5443 51.9006 17.0116 177.8477 36 G 4.0116 8.2979 108.8574 46.1894 0.0000 173.6077 37 V 4.9674 7.8144 120.9202 61.9623 33.1291 174.8544 38 F 5.2314 9.1098 121.5155 55.8025 42.1932 172.3187 39 H 5.2570 9.6650 119.5902 54.5443 32.4134 173.3480 40 V 4.8614 8.4758 124.5672 60.9947 34.3968 173.5436 41 E 4.9229 9.0539 128.5492 54.1813 32.5597 174.0957 42 K 4.7262 8.6892 127.7820 55.3156 34.1969 175.7801 43 N 4.3153 9.8327 125.4675 54.3998 36.6808 174.9853 44 G 3.9875 8.9694 102.4623 46.1462 0.0000 174.1945 45 R 4.4640 7.5325 115.9809 54.3758 34.2822 174.6275 46 Y 4.5107 8.2993 118.1865 59.1770 37.4986 176.9310 47 S 4.7201 8.6989 116.3375 58.7937 65.0977 173.5089 48 I 4.4886 8.2551 123.3749 59.8023 38.8733 175.9097 49 S 4.7859 8.2621 120.3611 57.5014 65.6322 175.2056 50 R 2.5197 8.1656 121.5761 59.1863 29.6913 178.5182 51 T 3.8083 7.5939 109.3164 64.6837 68.9095 176.1400 52 E 4.0200 8.2566 122.0443 58.7225 29.5599 178.6242 53 A 3.9998 8.2179 120.9859 55.1237 18.5039 179.3231 54 A 3.9594 7.7269 118.7474 55.6179 18.4597 179.6056 55 D 4.4582 8.2202 117.3296 57.3501 40.7513 178.8598 56 L 3.6166 8.5521 121.2730 58.2667 42.0900 178.2572 57 C 4.4179 8.4269 116.6214 60.2642 37.3793 175.8712 58 Q 4.0489 8.2996 120.7504 59.3370 28.5589 178.3270 59 A 4.3162 8.1673 121.5639 54.6734 18.0009 178.4280 60 F 4.8574 7.5656 114.6252 56.7373 39.2473 175.0875 61 N 4.5072 8.5007 115.1687 54.1226 37.6052 173.3515 62 S 5.1473 8.3667 110.9164 56.4829 67.2609 173.0852 63 T 4.8852 8.7113 109.7258 59.5757 72.4671 173.4130 64 L 4.4419 8.5610 122.3767 54.3662 42.2026 175.7449 65 P 4.7844 0.0000 0.0000 62.6829 32.8750 176.3307 66 T 4.4394 8.9100 113.0333 61.0037 70.1318 175.4812 67 M 3.9316 8.6508 121.1854 59.1511 32.0915 178.0415 68 D 4.3402 7.9819 118.3174 57.4062 41.0373 178.6127 69 Q 3.8325 8.0304 118.5997 58.9491 28.5406 178.4715 70 M 4.0240 8.1110 119.2247 58.6627 32.3172 178.3629 71 K 3.9072 8.3533 119.0195 59.4232 31.9697 179.0914 72 L 3.9467 7.8104 119.4149 57.8969 42.3416 178.4608 73 A 4.2400 8.1182 120.7973 55.3046 18.3855 179.3861 74 L 4.2248 8.5963 120.6878 57.7336 41.9017 179.2982 75 S 4.2311 7.9625 113.2858 60.6852 62.9761 175.6283 76 K 4.4700 7.5976 119.9248 55.7978 32.2379 176.8141 77 G 4.0010 7.4555 107.2928 45.1311 0.0000 173.7905 78 F 3.7799 7.8608 123.7234 56.9174 39.8638 174.0855 79 E 4.3565 7.9658 124.7946 54.9615 32.2868 173.8764 80 T 4.5646 7.9010 109.7355 60.5821 72.3064 172.5490 81 C 4.9230 8.3314 119.1587 55.7551 43.9028 173.6896 82 R 4.9038 7.7086 116.6320 54.3869 34.1238 176.0859 83 Y 4.4514 9.0492 121.9924 58.3953 39.0816 175.3637 84 G 4.4314 9.1367 109.3219 44.6825 0.0000 172.2919 85 F 5.0155 8.7977 121.5065 57.4967 40.0034 174.9845 86 I 5.1020 8.7393 116.3208 58.4722 40.2964 173.7178 87 E 4.1611 8.8426 122.3787 58.5111 29.1345 176.3490 88 G 4.0954 10.3428 115.5947 45.3402 0.0000 171.6134 89 N 5.0632 7.7249 114.9569 52.1269 44.1569 173.2550 90 V 4.6923 8.1543 118.9309 61.4544 34.1536 174.7246 91 V 5.1368 8.8929 119.6361 60.0110 37.0291 174.2064 92 I 4.9478 8.7542 122.1419 58.9286 40.9240 173.2269 93 P 4.6957 0.0000 0.0000 62.5540 32.8774 175.3977 94 R 4.7021 8.9334 122.7354 54.8306 33.2088 175.7560 95 I 3.8210 9.1669 125.1307 63.0548 38.2475 175.7565 96 H 4.8107 7.9886 115.8025 52.9818 30.1700 173.1207 97 P 4.3231 0.0000 0.0000 62.7123 31.8662 175.2734 98 N 4.8733 8.4496 120.1663 51.3056 41.8027 174.8164 99 A 4.0477 8.7540 128.1564 54.3872 18.7417 178.4450 100 I 4.3299 8.0677 107.6803 60.5879 36.3326 175.2007 101 C 4.5543 7.5022 118.5873 55.9337 42.4161 173.4146 102 A 3.2282 8.5736 128.9600 53.1515 16.0087 176.8098 103 A 3.9559 7.9866 115.9828 53.7271 16.5713 178.5114 104 N 4.4964 8.1568 115.6374 54.5318 38.8191 173.7440 105 H 4.4783 7.9115 113.7660 56.0719 29.4916 174.4882 106 T 4.5887 8.4528 110.9438 60.3358 71.6153 173.9991 107 G 3.6667 8.9619 108.7849 44.1222 0.0000 172.6607 108 V 4.0337 7.8214 119.0154 62.3354 31.2735 175.0464 109 Y 4.2618 8.9579 130.7381 57.1368 39.9957 173.9021 110 I 4.4682 7.1831 127.3280 59.2597 38.8201 175.2231 111 L 3.9209 8.5456 130.6098 55.6007 41.9217 176.2371 112 V 3.9155 8.5734 125.9214 64.4493 32.4506 175.5470 113 T 4.5687 7.5916 115.1200 61.5986 70.6347 173.4447 114 S 4.6348 8.1996 119.5791 56.7885 65.5033 173.6592 115 N 4.4814 8.8094 123.6896 55.2972 38.6680 175.1790 116 T 4.6059 7.5002 106.8425 59.8013 71.1838 173.9938 117 S 4.7970 8.3561 113.5911 58.0664 64.0783 173.3028 118 H 5.1666 7.5684 118.4659 54.5196 30.9018 172.6575 119 Y 4.7661 8.7523 121.3610 57.1233 42.6993 173.4728 120 D 5.2692 8.8821 119.9183 54.4950 43.7965 175.4384 121 T 5.1547 8.3975 112.1720 61.2626 71.1738 172.9419 122 Y 5.1291 8.7288 123.0501 56.8382 40.4498 174.5220 123 C 5.1420 8.7875 117.7625 55.3420 46.7279 172.9188 124 F 5.3368 9.2433 123.1890 56.5957 42.2623 173.0632 125 N 4.8589 8.8148 125.8366 51.5159 39.8711 175.1761 126 A 3.8143 8.0720 129.9173 54.4057 18.7130 177.8571 127 S 4.3778 8.0558 110.1542 58.5507 63.3206 174.3790 128 A 4.1297 7.3793 123.7711 50.9022 18.7096 175.5663 129 P 4.4813 0.0000 0.0000 61.8091 31.9864 175.5471 130 P 4.5321 0.0000 0.0000 64.9520 32.8304 176.0551 131 E 4.8599 7.5981 118.1885 56.4893 32.4980 176.3395 132 E 4.1490 8.7906 130.1129 56.3947 30.7490 174.7845 133 D 4.5689 9.0050 126.7964 52.6749 43.5153 174.6830 134 C 4.8184 8.4875 122.6447 56.6740 40.6570 174.5496 135 T 4.1816 7.7165 110.3735 61.1842 69.0020 174.6138 136 S 4.3583 8.2288 118.9656 58.5108 63.5378 174.1372 137 V 3.8903 8.7090 124.8499 62.4178 31.8159 175.9501 138 T 4.4676 8.2223 114.9571 61.2597 69.7724 173.2882 139 D 4.1310 7.4781 120.3198 53.1375 45.2199 175.0288 140 L 4.4767 8.1536 124.3127 52.2392 41.5882 174.9164 141 P 4.4413 0.0000 0.0000 64.1750 31.8812 177.7058 142 N 5.0092 8.2822 117.5388 52.8973 39.0141 174.6454 143 S 4.3985 7.8109 112.8264 58.3316 64.3039 172.7472 144 F 5.1214 8.0641 116.0149 54.4340 41.3436 173.7821 145 D 4.7365 9.1477 118.6098 54.4903 41.6029 175.4810 146 G 4.1095 8.0459 110.8854 46.2596 0.0000 170.5709 147 P 4.7014 0.0000 0.0000 62.6511 32.2628 175.5920 148 V 4.0195 7.5788 121.0002 62.4606 33.2002 175.0547 149 T 4.6491 8.4824 124.4313 63.3465 69.5443 173.3704 150 I 4.7989 8.7978 129.0483 59.9296 39.4645 175.0496 151 T 4.9642 8.8391 124.1765 61.6910 71.4968 173.3789 152 I 4.6181 8.9899 128.5122 60.8382 38.9397 175.0354 153 V 4.6734 9.0237 127.3357 61.2344 33.8726 174.9721 154 N 5.0320 8.9828 125.7074 51.9821 39.7890 176.4144 155 R 3.8837 8.4612 120.2146 59.3503 30.2708 177.0338 156 D 4.5545 8.0513 114.8172 53.5004 39.5874 177.0091 157 G 4.0107 8.3024 109.9801 45.4178 0.0000 174.2828 158 T 4.1618 8.1846 111.1902 61.8327 69.8206 173.9121 159 R 5.2864 8.5922 122.6526 54.6151 34.0895 174.1655 160 Y 4.8381 8.8600 122.1936 56.0495 41.9820 174.2861 161 S 5.1357 8.0102 121.5614 56.6429 66.5793 173.2005 162 K 4.4662 8.5017 120.5523 55.4534 36.4087 174.4789 163 K 4.6546 8.3483 122.8209 55.7433 33.1722 176.2869 164 G 4.0580 8.7127 113.6742 47.0483 0.0000 171.3094 165 E 4.9679 7.8412 120.6308 55.3624 33.1786 176.7011 166 Y 4.0806 7.4450 118.8894 55.8296 39.6376 175.4668 167 R 4.2400 7.8891 121.5275 55.8736 30.6137 176.3306 168 T 4.4343 9.1299 112.6516 61.6687 70.1524 173.9835 169 H 4.7888 7.8886 120.7236 53.8129 30.4818 174.8761 170 Q 4.0193 8.8996 126.4119 59.0998 29.0058 178.3470 171 E 3.9945 8.1402 114.3565 58.8503 29.7233 177.3085 172 D 4.5848 8.0600 117.9258 55.4503 41.4003 176.8482 173 I 3.9861 7.9123 121.6528 63.4147 38.4863 176.0764 *174 D 4.4415 7.8945 121.6280 53.4136 40.3393 177.1684 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 25 Q 8.34 4.58 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.79 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 26 I 8.70 4.63 1.97 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 1.29 0.84 1.06 0.00 0.00 27 D 10.17 5.38 0.00 2.68 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 28 L 9.06 5.07 0.00 1.65 1.73 0.81 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 29 N 9.19 5.27 0.00 2.73 2.78 0.00 0.00 6.48 7.95 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 30 V 8.52 5.12 2.07 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 0.67 0.00 0.00 0.98 0.00 0.00 31 T 8.43 4.58 4.56 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 1.53 0.00 0.00 32 C 8.87 4.32 0.00 2.92 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 33 R 8.37 4.75 0.00 1.59 1.70 0.00 2.21 0.00 0.00 2.93 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.58 0.00 34 Y 8.63 4.73 0.00 2.69 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 35 A 9.24 4.13 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 36 G 8.30 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 37 V 7.81 4.97 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 1.07 0.00 0.00 38 F 9.11 5.23 0.00 3.09 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 39 H 9.67 5.26 0.00 3.59 3.49 0.00 5.52 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 40 V 8.48 4.86 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 0.94 0.00 0.00 0.78 0.00 0.00 41 E 9.05 4.92 0.00 2.00 1.73 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 2.16 2.33 0.00 42 K 8.69 4.73 0.00 1.95 1.73 0.00 2.16 0.00 0.00 1.93 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.55 7.81 43 N 9.83 4.32 0.00 2.92 2.90 0.00 0.00 7.11 8.47 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 44 G 8.97 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 0.00 0.00 0.00 45 R 7.53 4.46 0.00 1.73 1.82 0.00 3.37 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.75 0.00 46 Y 8.30 4.51 0.00 2.97 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 47 S 8.70 4.72 0.00 4.01 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 48 I 8.26 4.49 2.27 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.88 1.06 0.00 0.00 49 S 8.26 4.79 0.00 3.99 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 50 R 8.17 2.52 0.00 1.59 1.76 0.00 2.66 0.00 0.00 2.95 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 51 T 7.59 3.81 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 1.01 0.00 0.00 52 E 8.26 4.02 0.00 2.24 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 2.53 2.59 0.00 53 A 8.22 4.00 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 54 A 7.73 3.96 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 55 D 8.22 4.46 0.00 3.08 3.21 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 56 L 8.55 3.62 0.00 1.85 1.87 0.07 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 57 C 8.43 4.42 0.00 3.07 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 58 Q 8.30 4.05 0.00 2.21 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.83 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 59 A 8.17 4.32 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 60 F 7.57 4.86 0.00 3.27 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 61 N 8.50 4.51 0.00 2.82 2.90 0.00 0.00 6.94 7.58 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 62 S 8.37 5.15 0.00 4.07 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 63 T 8.71 4.89 4.35 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 0.00 0.00 1.30 0.00 0.00 64 L 8.56 4.44 0.00 1.76 1.83 0.93 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.78 0.00 2.10 1.99 0.00 3.73 0.00 0.00 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.14 0.00 66 T 8.91 4.44 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 1.20 0.00 0.00 67 M 8.65 3.93 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.66 0.00 68 D 7.98 4.34 0.00 2.66 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.03 3.83 0.00 2.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.61 6.38 0.00 0.00 0.00 0.00 0.00 1.75 2.04 0.00 70 M 8.11 4.02 0.00 2.21 1.99 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.47 0.00 71 K 8.35 3.91 0.00 1.92 1.82 0.00 1.69 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.56 7.81 72 L 7.81 3.95 0.00 1.62 1.80 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 73 A 8.12 4.24 1.56 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 0.00 0.00 74 L 8.60 4.22 0.00 1.78 1.82 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 75 S 7.96 4.23 0.00 4.10 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 76 K 7.60 4.47 0.00 2.14 2.08 0.00 1.86 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.77 1.69 7.81 77 G 7.46 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.86 3.78 0.00 2.52 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 79 E 7.97 4.36 0.00 1.99 1.65 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 2.07 2.18 0.00 80 T 7.90 4.56 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 0.94 0.00 0.00 81 C 8.33 4.92 0.00 2.83 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 82 R 7.71 4.90 0.00 1.61 1.99 0.00 3.28 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.64 0.00 83 Y 9.05 4.45 0.00 2.97 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 84 G 9.14 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.80 5.02 0.00 3.20 3.03 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 86 I 8.74 5.10 2.16 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 1.29 1.02 0.98 0.00 0.00 87 E 8.84 4.16 0.00 1.94 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 2.34 2.32 0.00 88 G 10.34 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 0.00 0.00 0.00 0.00 89 N 7.72 5.06 0.00 2.41 2.63 0.00 0.00 6.25 7.53 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 90 V 8.15 4.69 1.63 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 0.15 0.00 0.00 0.36 0.00 0.00 91 V 8.89 5.14 2.07 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 0.80 0.00 0.00 0.85 0.00 0.00 92 I 8.75 4.95 1.78 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.41 0.74 0.00 0.00 93 P 0.00 4.70 0.00 1.94 1.91 0.00 3.42 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.20 0.00 94 R 8.93 4.70 0.00 1.75 1.79 0.00 3.25 0.00 0.00 3.03 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 95 I 9.17 3.82 1.82 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 1.19 0.41 0.62 0.00 0.00 96 H 7.99 4.81 0.00 3.11 3.20 0.00 5.70 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 P 0.00 4.32 0.00 2.15 2.15 0.00 3.72 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 98 N 8.45 4.87 0.00 2.64 2.58 0.00 0.00 7.06 8.20 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 99 A 8.75 4.05 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 0.00 100 I 8.07 4.33 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 1.42 0.71 0.91 0.00 0.00 101 C 7.50 4.55 0.00 2.86 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 0.00 102 A 8.57 3.23 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.99 3.96 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 0.00 104 N 8.16 4.50 0.00 2.85 2.90 0.00 0.00 7.17 8.01 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 0.00 105 H 7.91 4.48 0.00 3.08 3.27 0.00 5.65 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 T 8.45 4.59 4.21 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 1.20 0.00 0.00 107 G 8.96 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 0.00 0.00 0.00 108 V 7.82 4.03 2.03 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 0.63 0.00 0.00 0.87 0.00 0.00 109 Y 8.96 4.26 0.00 3.12 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 0.00 110 I 7.18 4.47 1.57 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.70 0.76 0.00 0.00 111 L 8.55 3.92 0.00 1.51 1.48 0.58 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 112 V 8.57 3.92 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 0.80 0.00 0.00 0.86 0.00 0.00 113 T 7.59 4.57 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 0.00 114 S 8.20 4.63 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 0.00 115 N 8.81 4.48 0.00 2.73 2.84 0.00 0.00 6.80 7.53 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 0.00 116 T 7.50 4.61 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 1.14 0.00 0.00 117 S 8.36 4.80 0.00 4.09 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 0.00 118 H 7.57 5.17 0.00 2.96 3.24 0.00 5.66 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 Y 8.75 4.77 0.00 2.25 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 0.00 120 D 8.88 5.27 0.00 2.82 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 0.00 121 T 8.40 5.15 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 1.21 0.00 0.00 122 Y 8.73 5.13 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 0.00 123 C 8.79 5.14 0.00 1.23 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 0.00 124 F 9.24 5.34 0.00 3.12 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 0.00 125 N 8.81 4.86 0.00 2.85 2.54 0.00 0.00 6.48 8.00 0.00 0.00 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 A 8.07 3.81 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 0.00 127 S 8.06 4.38 0.00 3.94 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 0.00 128 A 7.38 4.13 1.16 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 0.00 0.00 0.00 0.00 0.00 129 P 0.00 4.48 0.00 1.98 1.95 0.00 3.58 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 2.05 2.01 0.00 130 P 0.00 4.53 0.00 2.23 2.32 0.00 3.63 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 131 E 7.60 4.86 0.00 1.87 1.52 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 2.30 2.22 0.00 132 E 8.79 4.15 0.00 1.91 1.76 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 1.98 1.48 0.00 133 D 9.00 4.57 0.00 2.60 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 0.00 0.00 0.00 0.00 134 C 8.49 4.82 0.00 2.93 3.03 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 0.00 135 T 7.72 4.18 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 1.19 0.00 0.00 136 S 8.23 4.36 0.00 3.85 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 0.00 137 V 8.71 3.89 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 0.73 0.00 0.00 0.63 0.00 0.00 138 T 8.22 4.47 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 1.12 0.00 0.00 139 D 7.48 4.13 0.00 2.50 2.38 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 0.00 140 L 8.15 4.48 0.00 1.60 1.47 -0.37 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 141 P 0.00 4.44 0.00 2.22 2.15 0.00 3.94 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 142 N 8.28 5.01 0.00 2.97 2.89 0.00 0.00 6.62 8.28 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 0.00 143 S 7.81 4.40 0.00 3.91 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 0.00 144 F 8.06 5.12 0.00 3.07 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 0.00 145 D 9.15 4.74 0.00 2.78 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 0.00 146 G 8.05 4.11 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 0.00 0.00 0.00 147 P 0.00 4.70 0.00 2.17 2.16 0.00 3.73 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 1.90 1.92 0.00 148 V 7.58 4.02 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 0.88 0.00 0.00 0.86 0.00 0.00 149 T 8.48 4.65 4.21 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 1.16 0.00 0.00 150 I 8.80 4.80 1.84 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 1.31 0.83 0.92 0.00 0.00 151 T 8.84 4.96 4.43 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 152 I 8.99 4.62 2.10 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.02 1.07 0.00 0.00 153 V 9.02 4.67 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 0.96 0.00 0.00 0.96 0.00 0.00 154 N 8.98 5.03 0.00 3.01 2.71 0.00 0.00 6.45 7.52 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 0.00 155 R 8.46 3.88 0.00 1.81 1.99 0.00 3.29 0.00 0.00 3.32 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 156 D 8.05 4.55 0.00 2.81 2.76 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 0.00 157 G 8.30 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 0.00 158 T 8.18 4.16 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 1.27 0.00 0.00 159 R 8.59 5.29 0.00 1.69 1.85 0.00 3.16 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 160 Y 8.86 4.84 0.00 3.06 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 0.00 161 S 8.01 5.14 0.00 3.54 3.53 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 0.00 162 K 8.50 4.47 0.00 1.72 1.65 0.00 1.56 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.23 1.34 7.81 163 K 8.35 4.65 0.00 1.75 1.72 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.57 1.41 7.81 164 G 8.71 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 0.00 0.00 0.00 0.00 165 E 7.84 4.97 0.00 1.91 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 2.23 2.00 0.00 166 Y 7.45 4.08 0.00 2.94 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 0.00 167 R 7.89 4.24 0.00 1.66 1.82 0.00 3.14 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.50 0.00 168 T 9.13 4.43 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 1.38 0.00 0.00 169 H 7.89 4.79 0.00 3.38 3.61 0.00 5.64 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 Q 8.90 4.02 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.90 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 171 E 8.14 3.99 0.00 2.13 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 0.00 2.29 2.29 0.00 172 D 8.06 4.58 0.00 2.88 2.92 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 0.00 173 I 7.91 3.99 1.97 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 1.08 0.65 0.88 0.00 0.00 *174 D 7.89 4.44 0.00 2.44 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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.