NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 P 4.6291 0.0000 0.0000 62.5672 33.7053 174.5530 12 V 4.8015 8.7663 114.1069 59.3169 35.7330 173.2623 13 L 5.1318 10.0744 123.2883 53.1726 45.3803 175.8206 14 L 4.6843 8.7357 121.3530 53.1142 44.3417 174.9580 15 K 4.8366 8.7197 126.0802 53.9717 34.9558 175.1649 16 S 3.8533 8.8741 123.7153 58.6209 62.5876 174.9024 17 T 3.7401 8.2430 118.6914 64.8672 68.5638 175.7482 18 E 3.9783 8.1407 122.1967 58.1445 29.8295 176.9564 19 T 4.2948 7.6584 105.7938 60.2903 69.8586 174.6321 20 G 3.7687 7.8463 109.7115 46.4592 0.0000 173.3082 21 Q 4.5018 7.3316 118.1431 54.8375 30.7527 174.4569 22 Y 4.9656 8.8779 120.9712 56.5605 39.9632 175.3135 23 L 4.7412 9.1266 124.2460 55.1998 43.4017 176.2184 24 R 4.9725 9.0173 122.2230 53.9132 33.8066 173.4982 25 I 4.7949 8.3580 126.8919 59.8937 38.6326 175.3909 26 N 4.5876 8.8600 124.9965 51.5927 39.5464 174.7528 27 P 4.2404 0.0000 0.0000 65.4810 31.4892 177.2191 28 D 4.5221 7.9773 115.2937 53.5000 39.7170 177.1004 29 G 4.0723 8.4909 110.5018 45.3453 0.0000 174.1509 30 T 4.4222 8.2428 110.3063 61.1896 69.6955 173.6928 31 V 4.8951 8.1198 121.6537 61.2044 34.3750 174.2538 32 D 4.7558 8.8027 125.4447 52.5212 42.8610 173.6942 33 G 4.6653 8.6481 104.9324 45.2008 0.0000 172.9063 34 T 4.9004 8.9339 116.5385 60.4163 71.1823 174.3766 35 R 4.4676 8.7391 124.6218 56.2233 30.8848 176.7904 36 D 4.5693 8.1006 119.7142 53.3020 39.5895 176.5211 37 R 3.7906 8.4234 126.5186 58.0318 30.3114 177.2850 38 S 4.3765 8.2344 110.8503 58.8851 63.8217 173.8392 39 D 4.4178 7.9121 123.1212 54.1014 40.9122 177.3399 40 V 3.6108 8.3218 120.1366 64.3709 32.1089 177.2935 41 H 4.3962 8.6972 116.3382 56.6554 28.5408 176.2514 42 I 4.6082 7.1824 112.1606 60.2740 38.2052 175.4321 43 Q 4.5906 7.4919 121.6263 55.4508 29.9496 174.9524 44 F 5.3163 9.2869 121.9867 55.7202 43.4552 173.9252 45 Q 4.9474 9.3619 119.9606 54.3230 31.4340 174.7318 46 I 4.9557 8.4621 124.9463 60.0476 38.4031 175.1835 47 S 4.9199 8.5973 121.5953 55.5847 66.1614 171.9028 48 P 4.7750 0.0000 0.0000 62.6788 31.7309 175.4640 49 E 4.2761 8.9107 125.2719 54.6009 31.2528 175.4105 50 G 4.0460 8.7733 119.3521 46.9033 0.0000 173.0930 51 N 4.8091 8.8924 117.8462 52.6487 38.6397 175.7805 52 G 4.0328 8.0479 105.1017 44.8139 0.0000 171.5475 53 E 4.9772 7.7684 117.7758 54.5730 33.6138 174.9226 54 V 5.0355 8.7475 112.2202 60.1171 36.7181 174.9184 55 L 5.1387 9.0101 121.9022 53.1572 45.0295 176.0310 56 L 4.6311 8.7088 121.6769 53.1860 43.9631 174.9037 57 K 4.8969 8.8427 126.0579 54.0326 35.1287 175.1978 58 S 3.9119 8.8882 123.0508 58.7530 62.6873 174.6596 59 T 3.7980 8.3319 124.9373 66.9185 67.9907 175.9018 60 E 4.1203 8.1359 118.7301 57.8587 29.9390 177.3065 61 T 4.2930 7.5868 106.6081 60.3856 70.4521 175.4692 62 G 3.7412 8.0444 109.3827 45.5514 0.0000 173.3940 63 Q 4.3863 7.5188 118.5644 55.4944 30.4779 174.5885 64 Y 4.9200 8.9071 120.3741 56.3583 40.4683 174.9287 65 L 4.6411 9.0607 125.8898 55.2207 43.7132 175.5853 66 R 4.9776 9.1987 125.8857 54.6754 33.4660 173.6944 67 I 4.7780 8.0250 127.3034 59.7084 38.6210 175.6483 68 N 4.5007 9.1363 125.4948 51.7640 39.4341 174.4361 69 P 4.1257 0.0000 0.0000 65.9670 31.3892 177.2512 70 D 4.4987 7.9301 114.1633 53.7083 39.8536 176.9834 71 G 4.2101 8.4904 110.5089 45.0541 0.0000 173.8431 72 T 4.5594 8.1396 110.3388 61.4537 70.6061 173.8759 73 V 5.0133 8.2221 121.9776 61.5175 34.4181 174.0902 74 D 4.7678 8.9808 126.5791 52.5313 43.0236 173.7776 75 G 4.6069 8.7519 105.2745 45.2664 0.0000 173.0874 76 T 4.8857 8.8893 115.9293 60.4360 71.3169 174.2958 76A R 4.5373 8.6423 123.9129 56.0097 30.9283 176.4952 77 D 4.5702 8.1351 119.8911 53.2364 39.7430 176.6658 78 R 3.8361 8.4655 127.1967 58.3472 30.2847 177.2891 79 S 4.4002 8.1042 110.5575 58.5259 63.6213 173.7878 80 D 4.4077 7.8449 122.5212 54.3965 41.1659 176.4352 81 V 3.7422 8.3100 119.0051 63.1669 31.9082 176.1800 82 H 4.7063 8.7831 117.8828 55.4963 28.5863 175.9476 83 I 4.7274 7.3896 110.9361 60.0742 38.4767 175.1187 84 Q 4.6172 7.5280 121.7508 55.3427 30.1289 174.7742 85 F 5.2840 9.3423 122.0307 55.6913 43.5098 173.9576 86 Q 4.9256 9.1463 119.5246 54.2969 31.8898 174.7574 87 I 4.9295 8.4773 124.5189 59.9656 38.6802 175.0358 88 S 4.8066 8.6438 122.8191 55.5909 65.0367 172.0473 89 P 4.4938 0.0000 0.0000 63.0712 31.1523 175.7401 90 E 4.3322 9.2247 123.3968 55.3003 31.8558 174.8016 91 G 4.0611 8.2565 109.8381 45.2896 0.0000 172.0550 92 N 4.6386 8.5755 120.5205 52.0250 38.3913 175.9485 93 G 3.9444 8.8450 110.9142 45.5708 0.0000 172.4036 94 E 4.9252 7.4909 118.3255 55.0479 31.9750 175.5125 95 V 5.0286 9.0403 114.7900 59.8624 36.6484 174.4558 96 L 5.1160 8.8702 121.8766 53.2558 44.8928 176.0314 97 L 4.6651 8.7180 121.3027 53.1728 44.1529 174.9140 98 K 4.8005 8.8520 126.2514 54.2628 34.8152 174.9962 99 S 4.0926 8.8485 123.7298 57.9352 62.6572 174.7380 100 T 3.7336 8.2528 118.7155 64.9234 68.4326 175.5745 101 E 3.9909 8.1643 122.1338 58.1413 29.8348 176.9430 102 T 4.3078 7.6252 105.2738 60.3429 70.0754 174.6439 103 G 3.6199 7.9753 110.5847 46.5664 0.0000 172.8815 *107 Q 4.5228 7.5135 117.2810 55.8746 30.7743 173.7359 108 Y 4.9820 8.9841 120.9170 56.5330 39.7123 174.9530 109 L 4.6445 9.0192 126.2854 55.3799 43.6889 175.6186 110 R 5.1072 9.2747 125.7223 54.7261 33.5551 173.5750 111 I 4.8319 8.0905 127.3291 59.8311 38.6560 175.5988 112 N 4.6392 9.0514 125.2506 51.5228 39.6391 174.6891 113 P 4.2253 0.0000 0.0000 65.6138 31.4716 177.3321 114 D 4.5215 7.9879 115.0537 53.5816 39.7250 177.1008 115 G 4.0177 8.4089 110.4226 45.0707 0.0000 173.8967 116 T 4.4747 8.1954 110.4594 61.5949 70.3440 173.6878 117 V 5.0279 8.2256 122.3939 61.5209 34.3994 174.1695 118 D 4.7852 8.9586 125.8929 52.7824 42.9822 173.7533 119 G 4.6705 8.6963 104.6278 44.7855 0.0000 172.6254 *123 T 4.7357 8.1199 115.2417 62.1115 68.6924 174.5222 123A R 4.3577 8.7324 124.3656 56.7017 30.8858 176.5220 124 D 4.5733 8.2064 119.4126 53.1276 39.9631 176.5648 125 R 3.5682 8.4905 127.6948 58.3755 30.2679 177.2159 126 S 4.4211 7.8996 110.5591 58.1664 63.5551 173.6312 127 D 4.4274 7.9469 123.1964 54.2826 41.0701 177.4508 128 V 3.5863 8.3226 119.8536 64.1445 31.9008 177.0263 129 H 4.5851 9.0619 117.0071 56.0520 28.5274 175.8703 130 I 4.7605 7.1202 112.2684 60.0731 38.5349 175.4915 131 Q 4.5397 7.4648 123.5767 55.5520 30.0016 174.9625 132 F 5.3642 9.3531 122.5672 55.4691 43.3861 173.9780 133 Q 4.9679 8.9761 119.2012 54.5512 31.2442 174.3018 134 I 4.9255 8.4648 124.0809 60.0820 38.5386 175.1783 135 S 4.8401 8.7674 121.5836 55.5149 66.1981 171.9362 136 P 4.6526 0.0000 0.0000 63.1957 31.3247 176.2538 137 E 4.0190 8.9780 125.1552 57.4013 29.9478 176.9653 138 G 3.7706 7.8534 110.4292 46.4892 0.0000 172.1421 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 11 P 0.00 4.63 0.00 2.08 2.11 0.00 3.49 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 1.98 2.11 0.00 12 V 8.77 4.80 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.98 0.00 0.00 13 L 10.07 5.13 0.00 1.71 1.73 0.76 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.74 4.68 0.00 1.40 1.38 -0.04 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.72 4.84 0.00 1.68 1.59 0.00 1.26 0.00 0.00 1.07 0.00 0.00 2.85 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.04 0.77 7.81 16 S 8.87 3.85 0.00 3.48 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 17 T 8.24 3.74 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 1.16 0.00 0.00 18 E 8.14 3.98 0.00 1.79 1.87 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 2.10 2.29 0.00 19 T 7.66 4.29 4.20 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 1.20 0.00 0.00 20 G 7.85 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 Q 7.33 4.50 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.24 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 22 Y 8.88 4.97 0.00 3.12 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 23 L 9.13 4.74 0.00 1.64 1.73 0.49 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 24 R 9.02 4.97 0.00 1.95 1.95 0.00 3.23 0.00 0.00 3.32 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.47 0.00 25 I 8.36 4.79 1.78 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.87 0.92 0.00 0.00 26 N 8.86 4.59 0.00 2.88 2.65 0.00 0.00 6.57 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 27 P 0.00 4.24 0.00 2.00 2.10 0.00 3.53 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 28 D 7.98 4.52 0.00 2.78 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 29 G 8.49 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 30 T 8.24 4.42 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 1.31 0.00 0.00 31 V 8.12 4.90 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 0.98 0.00 0.00 1.02 0.00 0.00 32 D 8.80 4.76 0.00 2.99 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 33 G 8.65 4.67 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 34 T 8.93 4.90 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 1.33 0.00 0.00 35 R 8.74 4.47 0.00 1.88 2.01 0.00 3.27 0.00 0.00 3.16 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.61 0.00 36 D 8.10 4.57 0.00 2.81 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.42 3.79 0.00 1.80 1.93 0.00 2.84 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 38 S 8.23 4.38 0.00 3.98 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 39 D 7.91 4.42 0.00 2.77 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 40 V 8.32 3.61 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 0.73 0.00 0.00 0.68 0.00 0.00 41 H 8.70 4.40 0.00 3.31 3.42 0.00 5.80 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.18 4.61 1.94 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.26 1.01 0.00 0.00 43 Q 7.49 4.59 0.00 1.92 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.72 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 44 F 9.29 5.32 0.00 2.95 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 45 Q 9.36 4.95 0.00 1.95 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 46 I 8.46 4.96 1.89 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 1.36 0.54 0.92 0.00 0.00 47 S 8.60 4.92 0.00 3.95 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 48 P 0.00 4.78 0.00 1.97 2.04 0.00 3.65 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 49 E 8.91 4.28 0.00 2.07 1.80 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 2.15 2.24 0.00 50 G 8.77 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 0.00 0.00 0.00 51 N 8.89 4.81 0.00 2.80 2.93 0.00 0.00 5.58 7.00 0.00 0.00 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 G 8.05 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 0.00 0.00 0.00 53 E 7.77 4.98 0.00 2.06 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 2.19 2.23 0.00 54 V 8.75 5.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.05 0.00 0.00 55 L 9.01 5.14 0.00 1.74 1.74 0.72 0.50 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 56 L 8.71 4.63 0.00 1.36 1.32 -0.21 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.84 4.90 0.00 1.83 1.61 0.00 1.22 0.00 0.00 1.33 0.00 0.00 2.86 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.04 0.68 7.81 58 S 8.89 3.91 0.00 3.60 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.33 3.80 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 1.14 0.00 0.00 60 E 8.14 4.12 0.00 1.82 1.89 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 2.21 2.13 0.00 61 T 7.59 4.29 4.20 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 1.21 0.00 0.00 62 G 8.04 3.74 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 0.00 0.00 0.00 63 Q 7.52 4.39 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.65 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.28 0.00 64 Y 8.91 4.92 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 65 L 9.06 4.64 0.00 1.97 1.62 1.02 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 66 R 9.20 4.98 0.00 1.99 2.07 0.00 3.19 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 67 I 8.02 4.78 1.80 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.92 0.97 0.00 0.00 68 N 9.14 4.50 0.00 2.84 2.66 0.00 0.00 6.54 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 69 P 0.00 4.13 0.00 1.99 2.11 0.00 3.53 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.01 0.00 70 D 7.93 4.50 0.00 2.76 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 71 G 8.49 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 0.00 0.00 0.00 0.00 72 T 8.14 4.56 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 73 V 8.22 5.01 2.31 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 1.00 0.00 0.00 1.01 0.00 0.00 74 D 8.98 4.77 0.00 2.97 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 75 G 8.75 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.89 4.89 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 76A R 8.64 4.54 0.00 1.87 1.98 0.00 3.26 0.00 0.00 3.15 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 77 D 8.14 4.57 0.00 2.73 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.47 3.84 0.00 1.83 1.95 0.00 2.95 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 79 S 8.10 4.40 0.00 4.01 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 80 D 7.84 4.41 0.00 2.75 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.31 3.74 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 0.68 0.00 0.00 0.65 0.00 0.00 82 H 8.78 4.71 0.00 3.25 3.38 0.00 5.59 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.39 4.73 1.93 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.40 1.02 0.00 0.00 84 Q 7.53 4.62 0.00 1.95 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.80 0.00 0.00 0.00 0.00 0.00 2.48 2.39 0.00 85 F 9.34 5.28 0.00 2.85 2.87 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 86 Q 9.15 4.93 0.00 1.95 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 87 I 8.48 4.93 1.89 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 1.37 0.55 0.92 0.00 0.00 88 S 8.64 4.81 0.00 3.95 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 89 P 0.00 4.49 0.00 1.97 2.06 0.00 3.64 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 90 E 9.22 4.33 0.00 1.84 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 2.17 2.23 0.00 91 G 8.26 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 92 N 8.58 4.64 0.00 2.87 2.96 0.00 0.00 6.20 7.43 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 93 G 8.84 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 94 E 7.49 4.93 0.00 2.02 1.86 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 2.24 2.45 0.00 95 V 9.04 5.03 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 0.78 0.00 0.00 1.02 0.00 0.00 96 L 8.87 5.12 0.00 1.79 1.79 0.73 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.72 4.67 0.00 1.40 1.36 -0.05 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 98 K 8.85 4.80 0.00 1.65 1.57 0.00 1.37 0.00 0.00 1.42 0.00 0.00 2.59 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.02 0.48 7.81 99 S 8.85 4.09 0.00 3.52 3.46 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 0.00 100 T 8.25 3.73 4.16 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 1.19 0.00 0.00 101 E 8.16 3.99 0.00 1.90 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 2.04 2.30 0.00 102 T 7.63 4.31 4.20 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 1.20 0.00 0.00 103 G 7.98 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.51 4.52 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.40 6.91 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 108 Y 8.98 4.98 0.00 3.08 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 0.00 109 L 9.02 4.64 0.00 1.87 1.59 1.02 0.15 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 0.00 110 R 9.27 5.11 0.00 1.98 2.10 0.00 3.14 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 111 I 8.09 4.83 1.81 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.93 0.93 0.00 0.00 112 N 9.05 4.64 0.00 2.85 2.66 0.00 0.00 6.57 8.24 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 0.00 113 P 0.00 4.23 0.00 2.01 2.11 0.00 3.58 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 114 D 7.99 4.52 0.00 2.76 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 0.00 115 G 8.41 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 0.00 116 T 8.20 4.47 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 1.26 0.00 0.00 117 V 8.23 5.03 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 0.98 0.00 0.00 1.00 0.00 0.00 118 D 8.96 4.79 0.00 3.03 2.78 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 0.00 119 G 8.70 4.67 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 *123 T 8.12 4.74 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 1.33 0.00 0.00 123A R 8.73 4.36 0.00 1.89 2.02 0.00 3.27 0.00 0.00 3.16 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.63 0.00 124 D 8.21 4.57 0.00 2.80 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.49 3.57 0.00 1.81 1.90 0.00 3.32 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.17 0.00 126 S 7.90 4.42 0.00 4.01 3.92 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 0.00 127 D 7.95 4.43 0.00 2.83 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.32 3.59 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 0.69 0.00 0.00 0.63 0.00 0.00 129 H 9.06 4.59 0.00 3.28 3.47 0.00 5.79 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 I 7.12 4.76 1.98 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.17 1.02 0.00 0.00 131 Q 7.46 4.54 0.00 1.96 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.73 0.00 0.00 0.00 0.00 0.00 2.52 2.34 0.00 132 F 9.35 5.36 0.00 2.88 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 0.00 133 Q 8.98 4.97 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 134 I 8.46 4.93 1.89 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 1.37 0.61 0.92 0.00 0.00 135 S 8.77 4.84 0.00 3.92 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 0.00 136 P 0.00 4.65 0.00 1.97 2.05 0.00 3.70 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 137 E 8.98 4.02 0.00 2.05 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 2.26 2.35 0.00 138 G 7.85 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.