NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 T 4.3733 8.1749 117.3945 63.5443 70.5661 174.4032 5 R 3.7257 7.7672 119.4982 55.2677 30.3473 175.3114 6 A 4.2490 8.4792 125.8705 51.7111 20.4478 176.6384 7 N 4.4787 8.9520 119.3247 55.6012 39.3650 176.1553 8 K 3.9529 8.8234 114.7275 57.6539 29.7284 174.3810 9 D 4.6211 8.4782 111.8065 55.5842 40.0567 174.7438 10 I 4.1179 8.0633 121.1865 63.6174 37.1551 177.5308 11 F 4.2268 8.9992 121.5942 61.8971 39.0386 177.2196 12 T 4.0642 8.2200 108.5764 64.6737 68.3780 176.2882 13 L 4.0418 8.0223 121.0855 56.9927 41.7095 178.4563 14 F 4.2424 7.8896 115.8370 57.4576 40.3361 175.4323 15 D 4.7838 7.4363 117.6629 52.4824 40.5316 175.6859 16 K 4.4596 7.9378 116.5924 56.5675 32.6840 177.7427 17 K 4.4781 7.7580 116.7972 55.4241 32.6319 176.3188 18 G 4.0908 8.0539 105.1832 46.7895 0.0000 174.7389 19 Q 4.1340 8.6617 117.0989 55.6847 29.5625 177.7905 20 G 3.9854 9.4365 105.0834 45.6296 0.0000 172.7619 21 A 5.2302 7.8186 118.7206 50.7314 22.2245 176.0645 22 I 4.5971 8.6815 112.2641 58.2739 41.5266 174.7958 23 A 4.3511 8.5054 124.3611 52.2960 18.8719 178.7428 24 K 3.8156 9.1674 123.8874 59.4609 32.4290 178.2204 25 D 4.6058 8.0582 115.4931 54.7672 39.7034 177.0788 26 S 4.6822 8.0981 116.3863 58.6462 63.1213 175.4294 27 L 4.0463 7.8906 125.3253 57.9719 41.8001 178.9557 28 G 3.6719 8.0832 105.1767 48.1897 0.0000 175.2874 29 D 4.4648 8.1178 121.2599 56.8403 40.8880 178.1132 30 Y 3.1779 7.8465 120.2116 60.4296 38.7663 178.1001 31 L 4.0436 8.2128 120.1112 57.8455 41.6954 179.8227 32 R 4.7633 8.4839 119.2045 58.8454 29.8116 178.9060 33 A 4.0427 8.0090 120.1094 54.8426 18.4964 178.9281 34 I 3.8659 7.1682 108.9307 61.1797 38.1516 175.5631 35 G 3.2538 7.0239 109.2743 45.5119 0.0000 173.7556 36 Y 4.6806 7.8128 119.2760 57.2690 39.8239 174.7852 37 N 5.4014 8.8137 116.5893 51.6445 39.1507 173.4609 38 P 4.4798 0.0000 0.0000 62.5043 32.9930 177.6419 39 T 4.2296 8.1622 110.6155 61.4350 71.0971 175.3105 40 N 4.3146 8.7032 119.5294 56.6138 38.4768 177.2884 41 Q 3.9466 8.0666 120.3820 59.1883 29.1841 178.0435 42 L 3.9046 7.8604 121.1681 58.0284 42.0943 179.0030 43 V 3.5746 7.6019 117.7689 66.2918 31.4862 178.0389 44 Q 4.0303 8.0961 117.6234 59.1106 28.2860 178.6352 45 D 4.4159 8.1348 119.1951 57.2393 40.8881 178.5979 46 I 3.8415 7.6101 119.4240 64.4676 37.2626 178.3468 47 I 3.8969 7.7701 120.5053 64.4597 36.8596 178.1637 48 N 4.5459 8.4414 115.4351 55.2180 38.4075 176.3030 49 A 4.1458 7.3205 119.7857 53.3658 18.7997 178.0463 *52 S 4.2662 7.8341 110.9571 57.3648 64.9312 173.8338 53 L 4.0676 7.7652 121.3450 53.8180 41.3731 175.9127 *56 A 4.1230 8.2075 126.1044 52.2420 19.6111 176.0380 57 S 4.7494 8.3965 114.8282 58.9745 63.9731 173.6668 58 S 5.2951 7.7835 113.5365 56.7760 66.5442 173.0731 59 L 5.1639 8.9226 120.0374 53.1054 45.3483 177.1390 60 T 4.7140 9.0554 113.4614 60.7190 70.1772 175.5616 61 L 3.4287 7.8678 123.2194 58.2606 41.8828 178.7697 62 D 4.3373 7.8067 118.3079 57.3757 40.7177 178.6562 63 Q 3.9995 7.8918 118.5594 58.8871 28.6259 178.7440 64 I 3.7335 7.8888 120.9644 64.6193 37.1147 178.5771 65 T 3.9995 8.3850 117.2293 66.4832 68.2458 176.8058 66 G 3.6515 8.1953 107.6090 47.9266 0.0000 175.6623 67 L 4.0151 8.0114 121.7246 57.5189 41.5589 179.8021 68 I 3.6942 8.0542 119.8987 64.3711 36.8324 178.3474 69 E 4.0765 8.1291 118.4823 59.4613 29.3697 179.3506 70 V 3.7901 7.7193 117.2509 64.8945 31.6758 176.2371 71 N 5.1324 7.5755 114.4106 51.8654 39.4667 176.1600 72 E 3.8953 7.8886 119.6432 59.7214 29.5711 178.8433 73 K 4.0159 7.9251 117.5904 59.5883 31.6885 179.1812 74 E 3.9920 8.0331 118.3730 59.1640 29.4429 179.2601 75 L 3.8189 8.0423 119.4481 57.5924 41.6675 178.8187 76 D 4.5356 8.6355 118.1814 57.3453 40.9173 178.1074 77 A 4.1591 8.0416 120.5071 54.6036 18.4048 178.6361 78 T 4.3549 7.7677 106.6333 62.4813 69.2493 175.1848 79 T 4.5597 7.7733 110.9608 61.7823 68.9990 174.5886 80 K 4.4368 7.9348 118.5750 56.3892 32.4187 176.3693 81 A 4.3410 7.8845 121.9679 52.1796 19.1172 177.5998 82 K 4.7769 8.9322 119.6571 54.3915 35.9550 177.7726 83 T 4.0462 8.6382 117.7545 66.8951 68.5079 176.6164 84 E 4.0664 8.1083 117.7154 59.0109 29.6740 177.8817 85 D 4.2099 7.7335 118.9261 56.1418 41.0739 176.8327 86 F 5.1198 7.9005 115.6072 56.9363 41.2265 177.4415 87 V 3.8552 8.1638 120.5738 66.1601 31.2045 177.6706 88 K 3.9669 8.2579 117.4355 59.5137 31.6631 178.9196 89 A 4.0634 8.0411 119.5794 55.3421 18.6044 179.2821 90 F 3.9224 8.1738 115.8017 60.4627 38.8325 178.0040 91 Q 4.1223 8.4137 117.9459 58.6718 28.1933 178.8554 92 V 3.5800 7.5100 118.9359 65.0064 31.4706 177.0094 93 F 4.8785 8.1379 114.9631 56.1437 39.4397 175.1591 94 D 4.8364 7.7047 119.8691 52.3796 40.5936 176.0905 95 K 4.0859 8.8644 128.1259 59.2236 32.3675 177.6879 96 E 4.5581 8.1439 114.2373 55.3906 29.9424 175.8683 97 S 3.9768 7.7845 113.0174 60.0093 60.7551 173.2045 98 T 4.1584 8.4224 108.2796 61.7850 69.9264 175.7324 99 G 3.4609 9.4374 111.7390 44.9721 0.0000 172.7028 100 K 5.1548 7.5367 117.5005 54.3670 35.8811 175.8755 101 V 4.8159 8.7677 121.7456 60.9215 35.4060 175.0597 102 S 4.7539 8.7334 121.1920 58.0986 63.9521 175.4982 103 V 3.6639 8.9195 123.0454 65.0190 30.9243 179.0602 104 G 3.5706 8.0068 105.8214 47.8097 0.0000 175.3375 105 D 4.3720 8.2736 121.4283 56.7286 40.7585 178.6981 106 L 3.7441 7.9614 121.1933 57.9752 42.0153 178.8927 107 R 3.8205 8.1084 118.8356 59.4744 29.9183 177.6290 108 Y 4.0231 8.1408 119.3509 61.0670 38.3638 178.0480 109 M 3.7116 8.1205 119.6783 58.5334 31.9726 178.8589 110 L 4.0548 7.9786 118.9830 56.9484 41.6331 178.7785 111 T 4.7079 7.5156 109.6808 61.2368 69.7686 175.5927 112 G 3.6097 7.8437 108.8750 45.1773 0.0000 172.7519 113 L 4.7276 6.9827 117.9769 52.7738 46.1979 177.8813 114 G 3.6458 8.1946 108.8779 47.3001 0.0000 174.7990 115 E 4.1022 8.9311 122.2573 55.5765 29.6578 176.7268 116 K 3.6951 7.8074 116.9394 57.1619 29.3782 174.7084 117 L 4.2908 8.5788 122.9732 54.2561 42.6646 177.2654 118 T 4.4005 8.9019 111.9663 61.3345 71.0028 175.6476 119 D 4.3425 8.5503 121.2142 57.3620 40.7461 178.8645 120 A 3.9924 7.9630 120.8571 55.2877 18.3655 179.3157 121 E 3.8968 8.3699 117.1667 59.6129 29.5246 179.8656 122 V 3.6050 7.8894 118.3054 65.8425 31.3362 177.7186 123 D 4.3677 8.2258 118.3486 57.4375 40.7432 178.1590 124 E 4.0649 8.4181 119.8381 59.1257 29.4258 178.4085 125 L 4.0174 7.9717 119.5062 58.2509 42.4457 178.4573 126 L 4.3292 8.1433 116.7897 55.3489 41.5405 178.7658 127 K 3.7928 7.4503 119.0994 59.2112 32.1018 177.8170 128 G 4.0157 7.9739 103.2310 45.0015 0.0000 172.8015 129 V 4.0379 7.7319 120.5955 61.5182 32.2265 175.6282 130 E 4.1711 8.7395 127.2122 56.0551 30.0350 176.1911 131 V 4.4570 8.1677 123.0792 60.8500 34.0091 175.1540 132 D 4.7411 8.8163 127.6680 52.2633 40.9445 176.8182 133 S 4.2463 8.5469 112.4806 60.4141 62.9831 174.2985 134 N 4.7107 8.7693 118.4054 52.6924 38.6406 175.0677 135 G 3.9063 8.3220 106.5528 46.4227 0.0000 173.2833 136 E 5.2050 8.1607 117.8719 54.3573 32.9929 174.8593 137 I 4.7618 8.7330 122.0850 59.3680 41.1816 174.5970 138 D 4.8042 8.6476 126.3198 54.0725 41.4258 176.3114 139 Y 4.0694 8.1840 126.7660 59.7710 38.0468 177.9851 140 K 4.0521 7.6895 120.0635 59.2135 32.2191 178.9783 141 K 3.9479 8.4406 119.9570 59.2144 32.1199 178.6356 142 F 4.1690 8.3222 120.9610 61.4644 39.3335 177.0660 143 I 3.4322 8.2680 119.6610 64.4244 36.7738 178.1864 144 E 3.9488 8.2688 119.2632 59.5669 29.0566 179.2431 145 D 4.2777 7.8327 117.7523 57.3831 40.9614 178.7338 146 V 3.5413 7.2549 117.5723 65.5115 31.5743 177.3251 147 L 4.2961 7.7284 116.2485 54.2953 42.1115 177.1346 148 R 3.9547 7.0451 120.5992 56.3696 30.6044 176.2363 149 Q 4.1682 8.5698 122.8424 56.1637 28.8913 175.5255 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 4 T 8.17 4.37 4.39 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 1.25 0.00 0.00 5 R 7.77 3.73 0.00 1.52 1.75 0.00 3.03 0.00 0.00 2.98 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.50 0.00 6 A 8.48 4.25 1.23 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 0.00 0.00 0.00 7 N 8.95 4.48 0.00 2.91 2.91 0.00 0.00 7.16 6.74 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 8 K 8.82 3.95 0.00 1.91 1.86 0.00 1.92 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.55 7.81 9 D 8.48 4.62 0.00 2.83 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 10 I 8.06 4.12 2.13 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 1.49 0.75 1.21 0.00 0.00 11 F 9.00 4.23 0.00 3.19 3.16 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 12 T 8.22 4.06 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 13 L 8.02 4.04 0.00 1.73 1.59 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 14 F 7.89 4.24 0.00 2.91 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 15 D 7.44 4.78 0.00 2.35 2.40 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 16 K 7.94 4.46 0.00 1.75 1.80 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.53 7.81 17 K 7.76 4.48 0.00 1.75 1.77 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.33 7.81 18 G 8.05 4.09 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 0.00 0.00 0.00 19 Q 8.66 4.13 0.00 2.37 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.28 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 20 G 9.44 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 21 A 7.82 5.23 1.28 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 0.00 0.00 22 I 8.68 4.60 1.71 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 0.99 1.18 -0.06 0.00 0.00 23 A 8.51 4.35 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 24 K 9.17 3.82 0.00 1.94 1.83 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.39 7.81 25 D 8.06 4.61 0.00 2.82 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 26 S 8.10 4.68 0.00 4.09 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 27 L 7.89 4.05 0.00 1.83 1.72 0.98 1.01 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 28 G 8.08 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 29 D 8.12 4.46 0.00 2.97 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 30 Y 7.85 3.18 0.00 2.23 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 31 L 8.21 4.04 0.00 1.94 1.82 0.92 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.48 4.76 0.00 2.07 1.99 0.00 3.35 0.00 0.00 3.30 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 33 A 8.01 4.04 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 34 I 7.17 3.87 1.78 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 1.40 0.36 0.38 0.00 0.00 35 G 7.02 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Y 7.81 4.68 0.00 3.26 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 37 N 8.81 5.40 0.00 2.87 2.75 0.00 0.00 7.01 8.46 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 38 P 0.00 4.48 0.00 2.18 2.04 0.00 3.82 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 2.01 1.98 0.00 39 T 8.16 4.23 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 40 N 8.70 4.31 0.00 2.76 2.93 0.00 0.00 6.48 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 8.07 3.95 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.90 0.00 0.00 0.00 0.00 0.00 2.43 2.65 0.00 42 L 7.86 3.90 0.00 1.81 1.79 0.89 0.85 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 43 V 7.60 3.57 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 0.98 0.00 0.00 0.96 0.00 0.00 44 Q 8.10 4.03 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.60 2.55 0.00 45 D 8.13 4.42 0.00 2.75 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 46 I 7.61 3.84 2.02 0.00 0.00 0.79 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 0.56 0.89 0.00 0.00 47 I 7.77 3.90 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 1.52 1.35 0.91 0.00 0.00 48 N 8.44 4.55 0.00 2.69 2.88 0.00 0.00 7.08 7.25 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 49 A 7.32 4.15 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 *52 S 7.83 4.27 0.00 4.01 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 53 L 7.77 4.07 0.00 1.65 1.67 0.92 0.77 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 *56 A 8.21 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 57 S 8.40 4.75 0.00 3.80 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 7.78 5.30 0.00 3.91 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 59 L 8.92 5.16 0.00 1.56 1.55 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 60 T 9.06 4.71 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 1.21 0.00 0.00 61 L 7.87 3.43 0.00 0.27 1.15 0.66 0.86 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 62 D 7.81 4.34 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 63 Q 7.89 4.00 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 64 I 7.89 3.73 1.92 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.75 1.02 0.00 0.00 65 T 8.39 4.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 66 G 8.20 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.01 4.02 0.00 1.88 1.72 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 68 I 8.05 3.69 2.06 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.34 1.03 0.00 0.00 69 E 8.13 4.08 0.00 2.06 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 2.36 2.59 0.00 70 V 7.72 3.79 2.19 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 0.82 0.00 0.00 0.95 0.00 0.00 71 N 7.58 5.13 0.00 2.80 2.66 0.00 0.00 6.49 8.39 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 72 E 7.89 3.90 0.00 2.25 1.96 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 2.35 2.42 0.00 73 K 7.93 4.02 0.00 1.87 1.83 0.00 1.61 0.00 0.00 1.81 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.53 1.59 7.81 74 E 8.03 3.99 0.00 1.99 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 2.37 2.43 0.00 75 L 8.04 3.82 0.00 1.14 0.13 0.50 0.87 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 76 D 8.64 4.54 0.00 2.89 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 77 A 8.04 4.16 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 T 7.77 4.35 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 1.25 0.00 0.00 79 T 7.77 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 1.36 0.00 0.00 80 K 7.93 4.44 0.00 1.77 1.86 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.38 1.61 7.81 81 A 7.88 4.34 1.45 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 0.00 0.00 0.00 82 K 8.93 4.78 0.00 1.68 1.64 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.48 7.81 83 T 8.64 4.05 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 1.30 0.00 0.00 84 E 8.11 4.07 0.00 2.06 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 2.23 2.27 0.00 85 D 7.73 4.21 0.00 1.59 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 0.00 0.00 0.00 86 F 7.90 5.12 0.00 3.40 3.29 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 87 V 8.16 3.86 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 1.14 0.00 0.00 88 K 8.26 3.97 0.00 1.88 1.89 0.00 1.74 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.58 1.56 7.81 89 A 8.04 4.06 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 90 F 8.17 3.92 0.00 2.66 1.51 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 91 Q 8.41 4.12 0.00 2.31 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.79 0.00 0.00 0.00 0.00 0.00 2.61 2.75 0.00 92 V 7.51 3.58 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 0.24 0.00 0.00 0.97 0.00 0.00 93 F 8.14 4.88 0.00 2.98 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 94 D 7.70 4.84 0.00 3.07 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 95 K 8.86 4.09 0.00 1.79 1.86 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.47 7.81 96 E 8.14 4.56 0.00 2.00 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 2.23 2.32 0.00 97 S 7.78 3.98 0.00 4.05 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 98 T 8.42 4.16 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 1.25 0.00 0.00 99 G 9.44 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 0.00 0.00 0.00 100 K 7.54 5.15 0.00 1.58 1.70 0.00 1.63 0.00 0.00 1.72 0.00 0.00 2.65 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.28 1.26 7.81 101 V 8.77 4.82 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 0.90 0.00 0.00 1.35 0.00 0.00 102 S 8.73 4.75 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 0.00 103 V 8.92 3.66 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 0.77 0.00 0.00 0.90 0.00 0.00 104 G 8.01 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 D 8.27 4.37 0.00 2.88 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 0.00 106 L 7.96 3.74 0.00 1.66 1.71 0.82 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 0.00 0.00 0.00 0.00 107 R 8.11 3.82 0.00 1.89 2.06 0.00 3.17 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 108 Y 8.14 4.02 0.00 3.13 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 0.00 109 M 8.12 3.71 0.00 1.59 1.81 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.84 0.00 110 L 7.98 4.05 0.00 1.63 1.66 0.95 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 111 T 7.52 4.71 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 1.28 0.00 0.00 112 G 7.84 3.61 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 0.00 113 L 6.98 4.73 0.00 1.77 1.49 1.08 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 114 G 8.19 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 E 8.93 4.10 0.00 2.08 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 2.31 0.00 116 K 7.81 3.70 0.00 1.86 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.33 7.81 117 L 8.58 4.29 0.00 1.73 1.67 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 118 T 8.90 4.40 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 0.00 119 D 8.55 4.34 0.00 2.70 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 0.00 120 A 7.96 3.99 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 0.00 121 E 8.37 3.90 0.00 2.18 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 2.34 2.32 0.00 122 V 7.89 3.60 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 1.02 0.00 0.00 0.96 0.00 0.00 123 D 8.23 4.37 0.00 2.83 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 0.00 124 E 8.42 4.06 0.00 2.13 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 2.31 2.32 0.00 125 L 7.97 4.02 0.00 1.76 2.01 1.05 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.14 4.33 0.00 1.75 1.69 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 127 K 7.45 3.79 0.00 1.93 1.92 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.64 1.58 7.81 128 G 7.97 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 0.00 129 V 7.73 4.04 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 1.22 0.00 0.00 130 E 8.74 4.17 0.00 2.01 1.88 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 2.33 2.25 0.00 131 V 8.17 4.46 2.08 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 0.85 0.00 0.00 0.98 0.00 0.00 132 D 8.82 4.74 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 0.00 133 S 8.55 4.25 0.00 4.00 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 0.00 134 N 8.77 4.71 0.00 2.78 2.86 0.00 0.00 6.94 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 0.00 135 G 8.32 3.91 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 0.00 0.00 0.00 136 E 8.16 5.20 0.00 2.24 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 2.33 2.49 0.00 137 I 8.73 4.76 1.80 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.71 0.81 0.00 0.00 138 D 8.65 4.80 0.00 2.67 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 Y 8.18 4.07 0.00 1.97 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 0.00 140 K 7.69 4.05 0.00 1.85 1.89 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.61 1.46 7.81 141 K 8.44 3.95 0.00 1.82 1.95 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.44 7.81 142 F 8.32 4.17 0.00 3.13 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 0.00 143 I 8.27 3.43 2.06 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.55 1.12 0.00 0.00 144 E 8.27 3.95 0.00 2.12 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 2.59 2.50 0.00 145 D 7.83 4.28 0.00 2.70 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 0.00 146 V 7.25 3.54 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 0.63 0.00 0.00 0.19 0.00 0.00 147 L 7.73 4.30 0.00 1.66 1.72 1.16 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 148 R 7.05 3.95 0.00 1.86 1.80 0.00 3.22 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 149 Q 8.57 4.17 0.00 2.05 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.42 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 * Residues marked with a * may have inaccurate shift predictions.