NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.4672 8.1693 120.6399 55.1100 43.4709 175.3393 8 H 4.9077 8.0330 114.3571 53.5544 32.2414 170.7879 9 K 4.6520 9.4253 120.6352 56.0154 33.6415 177.2733 10 E 5.0454 9.1395 123.0559 53.6743 33.7693 173.7545 11 P 4.8584 0.0000 0.0000 63.3844 32.3895 175.0283 12 A 4.9537 8.1651 121.5216 51.4658 22.7274 175.6180 13 T 4.7118 8.4153 108.9239 59.3457 72.4646 173.1367 14 L 4.3036 8.5023 125.2518 55.8555 42.3079 176.0741 15 I 4.2742 8.5427 127.3689 62.7159 38.2929 176.0856 16 K 4.5615 7.6175 120.4552 54.9677 35.4023 174.5378 17 A 4.3510 8.7807 129.9566 52.5998 18.5100 175.4630 18 I 4.4381 7.7819 118.6055 61.7363 40.9874 177.4082 19 D 4.6852 7.8362 119.2410 52.7854 41.6713 175.9008 20 G 3.7381 9.0071 106.6837 48.6155 0.0000 173.8222 21 D 5.1805 8.3945 117.8054 52.7625 41.1531 175.6407 22 T 5.7689 8.2768 108.0841 59.6227 72.6469 173.0844 23 V 4.8038 8.2233 121.3302 60.3880 35.3570 172.8278 24 K 4.9726 9.1085 125.2836 55.5025 33.5517 175.3021 25 L 5.3397 9.1814 126.7394 53.1540 46.6074 175.1375 26 M 5.0114 9.2233 121.9980 54.7518 33.6926 174.2080 27 Y 5.0102 9.0438 127.7367 56.3558 42.2960 175.4431 28 K 3.6139 9.3366 125.4099 57.3934 29.9049 175.8472 29 G 3.9480 8.4718 103.3878 45.5956 0.0000 173.7621 30 Q 4.8679 8.0010 118.6100 52.8410 32.4210 173.1923 31 P 5.0581 0.0000 0.0000 63.1634 32.2240 175.3941 32 M 4.9199 9.4851 120.1687 54.1175 35.4131 173.7464 33 T 4.7530 8.4180 117.0537 63.0624 70.4511 173.5612 34 F 4.9835 9.6474 125.5126 55.8324 41.5482 174.6172 35 R 5.0685 9.1708 123.8731 54.2587 32.3030 175.0540 36 L 4.3980 8.6804 127.3215 54.5561 42.1463 177.2410 37 L 3.9783 8.6128 124.1125 55.6671 42.9001 177.9239 38 L 4.2530 8.8970 119.5813 55.2231 39.3382 174.0777 39 V 5.1334 7.4066 110.2892 59.8141 36.2578 174.7659 40 D 4.9817 9.0910 121.6783 53.1571 43.9898 174.5845 41 T 4.8744 8.8905 116.8170 59.9027 70.5135 173.1799 42 P 4.5586 0.0000 0.0000 62.6590 32.1803 176.2631 43 E 4.0073 9.2109 122.4787 56.8359 30.2148 177.7488 *50 F 4.5931 8.5857 123.1355 58.3640 41.0372 175.7772 51 N 4.4056 8.2592 115.1520 53.8796 37.7457 174.2071 52 E 4.5252 7.8365 119.4643 53.7917 32.0407 175.0358 53 K 3.8530 8.1982 121.2915 58.2003 32.5526 176.7023 54 Y 4.1258 7.7260 121.0571 58.8239 36.3231 171.3439 55 G 3.6725 8.0797 107.6931 47.6931 0.0000 174.1769 56 P 4.4194 0.0000 0.0000 64.9668 31.2252 178.6807 57 E 4.0663 8.1573 116.9813 59.0968 29.5576 178.8990 58 A 4.0251 8.5214 121.3049 55.3547 17.9698 179.7388 59 S 4.1457 8.5307 113.7349 61.9141 62.8761 176.9534 60 A 4.1110 8.3997 123.4254 54.9105 18.0709 179.4915 61 F 4.0046 8.5521 119.2569 61.9113 39.5821 177.5551 62 T 3.9666 8.2762 115.3828 66.3810 68.2215 176.5152 63 K 3.8861 8.3051 121.6872 59.4457 32.2739 178.6220 64 K 3.8403 8.1900 119.9828 59.7276 31.8515 178.3063 65 M 3.8658 7.5304 117.1768 58.7040 32.0264 178.1763 66 V 3.8641 7.8865 112.2296 63.8645 31.7096 178.4406 67 E 4.0955 8.4685 118.0274 59.0085 29.4918 177.7484 68 N 4.4868 8.0503 114.3831 54.3192 39.0738 175.4520 69 A 4.3855 7.2862 121.0119 51.8031 18.9367 177.9978 70 K 4.1084 9.3290 123.0126 58.5558 32.6430 177.6008 71 K 4.5209 8.4536 120.3134 54.8747 35.3046 175.1502 72 I 4.9864 8.4280 128.1275 59.9436 39.6505 174.6135 73 E 4.9324 9.1235 124.4713 54.6380 34.1191 174.5622 74 V 4.5170 8.7172 122.4667 61.0602 34.4275 174.2200 75 E 5.0048 8.7175 127.1777 53.3769 32.3279 174.9095 76 F 4.7792 8.8073 125.6350 57.2528 40.5051 175.5517 77 D 4.9940 8.4078 120.0057 53.3298 43.2336 175.8215 78 K 4.2997 9.0260 117.2869 58.1601 33.1100 178.5099 79 G 4.1213 7.9914 110.5361 44.3100 0.0000 173.4885 80 Q 3.8753 8.6571 122.9640 57.0886 29.4041 177.8470 81 R 4.5395 8.5099 122.3600 56.2676 31.6080 175.8653 82 T 4.9416 7.4263 107.2096 59.5724 71.8176 173.5084 83 D 4.9121 8.9756 123.9536 51.0324 41.4907 176.9190 84 K 3.9171 8.1329 117.0630 59.1444 32.4489 176.9110 85 Y 4.5075 7.9851 116.6772 57.4829 38.1086 176.3799 86 G 3.8872 8.1533 107.8879 45.7822 0.0000 174.0493 87 R 4.2488 7.8759 119.0226 55.1996 31.5719 176.3996 88 G 3.4484 8.2731 110.6376 46.1517 0.0000 172.2917 89 L 5.3554 8.9947 122.8351 51.9600 43.8785 175.7445 90 A 4.4762 8.3120 123.9025 51.1219 23.2622 173.8198 91 Y 4.8349 8.6152 117.3643 57.1333 39.8890 175.1529 92 I 4.8025 8.1608 124.0904 59.7069 40.2072 173.9412 93 Y 5.2081 9.2602 124.3510 56.0773 41.2258 174.6402 94 A 4.8905 9.0918 125.5727 50.0798 21.3545 176.2964 95 D 4.4915 9.9048 125.3671 56.0887 38.9355 175.7155 96 G 3.9997 8.2720 104.9675 45.5199 0.0000 173.5172 97 K 4.5049 7.8479 120.2349 55.1437 33.6412 175.4398 98 M 4.0670 8.4444 123.0498 54.7253 33.2914 177.0758 99 V 3.6397 8.6271 127.0202 66.1736 31.7064 177.7427 100 N 4.3182 8.0289 115.6933 56.4659 38.3915 176.8321 101 E 3.9219 8.0864 119.8370 59.1222 29.8175 178.4507 102 A 4.0618 8.2058 120.8839 55.1456 18.5144 179.4369 103 L 3.4600 8.2248 117.6827 58.0486 41.7190 179.7588 104 E 4.0158 7.9707 118.1066 59.4275 29.1828 179.4371 105 R 4.1962 8.0948 117.9424 58.8633 30.2054 177.5221 106 Q 4.3673 7.8177 115.6904 54.9447 29.0375 175.8946 107 G 3.9058 8.0622 108.6168 46.7279 0.0000 174.9127 108 L 4.5793 7.7942 117.0185 53.9962 42.7751 176.0558 109 A 4.8636 7.6841 119.1708 50.3525 22.8438 175.3266 110 K 5.0145 8.5969 118.0776 54.3480 35.1929 176.4415 111 V 4.2686 9.2790 124.6321 63.3704 32.1525 174.9090 112 A 4.1399 9.2111 126.9499 51.3759 23.2399 175.0708 113 Y 3.2655 7.5126 113.8685 59.0223 35.0642 173.1473 114 V 4.0455 7.1630 118.7660 61.8018 31.4211 173.6472 115 Y 4.6943 8.0885 124.6493 55.5219 39.5923 175.6589 116 K 4.1197 8.6890 124.9515 58.1392 32.6125 177.2462 117 G 4.0815 9.0463 112.8627 45.9416 0.0000 172.8857 118 N 5.2742 8.1674 116.6241 53.0172 39.4812 174.1009 119 N 5.2585 7.9742 110.3161 52.7320 38.6620 176.6362 120 T 3.8360 8.8221 118.2987 68.0826 68.7466 175.0004 121 H 4.8270 8.1993 116.4191 55.8077 29.0684 176.6265 122 E 3.9835 8.3833 122.9815 59.9185 29.3413 179.1609 123 Q 3.9894 8.0555 117.3238 58.5146 28.9268 178.0882 124 L 3.9328 7.9458 121.1204 58.3641 42.0574 179.0342 125 L 4.0557 8.1401 118.8123 57.8289 41.4790 179.7075 126 R 3.9066 8.3970 118.4532 58.8834 29.9086 179.0620 127 K 3.8787 8.2659 119.5374 59.3206 32.1372 178.7926 128 A 3.9576 7.8896 120.8098 55.1222 18.2382 179.1234 129 E 3.9864 8.4273 117.7812 59.3789 29.5920 178.9078 130 A 3.7294 8.1674 121.0784 55.1267 18.4567 179.4380 131 Q 3.8178 8.0701 117.8533 59.1941 29.1345 178.1618 132 A 4.0268 8.1625 122.0398 55.0426 18.3180 179.5862 133 K 3.5231 7.9965 118.4404 59.3527 31.9278 179.1564 134 K 3.8664 7.9733 118.1497 59.4646 32.1001 178.4197 135 E 4.1615 8.1119 115.5440 55.7843 30.1837 176.5574 136 K 4.1107 7.8116 117.5520 56.0357 30.5239 175.1831 137 L 4.5094 8.2062 117.9174 54.8095 44.8813 177.5802 138 N 3.6456 9.1926 120.4702 54.0088 37.6570 176.7084 139 I 2.9407 5.4200 126.9087 64.4519 37.2151 176.6798 140 W 4.8315 7.7404 118.5942 56.5481 29.1799 176.6361 141 S 4.4746 7.9663 119.7605 58.5242 62.6803 173.9479 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 7 L 8.17 4.47 0.00 1.83 1.78 1.04 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 8 H 8.03 4.91 0.00 3.24 3.37 0.00 5.45 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.43 4.65 0.00 1.56 1.79 0.00 1.35 0.00 0.00 1.03 0.00 0.00 2.13 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.03 1.20 7.81 10 E 9.14 5.05 0.00 2.08 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 0.00 2.45 2.37 0.00 11 P 0.00 4.86 0.00 2.09 2.07 0.00 3.65 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 2.12 0.00 12 A 8.17 4.95 1.18 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 0.00 0.00 13 T 8.42 4.71 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 1.22 0.00 0.00 14 L 8.50 4.30 0.00 1.66 1.62 0.97 1.01 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 15 I 8.54 4.27 2.01 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 1.15 0.76 0.93 0.00 0.00 16 K 7.62 4.56 0.00 1.80 1.60 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.42 7.81 17 A 8.78 4.35 1.25 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 18 I 7.78 4.44 2.04 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 1.47 0.89 0.90 0.00 0.00 19 D 7.84 4.69 0.00 2.88 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 9.01 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 21 D 8.39 5.18 0.00 2.75 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 22 T 8.28 5.77 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 1.22 0.00 0.00 23 V 8.22 4.80 2.11 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 0.75 0.00 0.00 1.03 0.00 0.00 24 K 9.11 4.97 0.00 1.93 1.92 0.00 1.50 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.65 7.81 25 L 9.18 5.34 0.00 1.73 1.51 0.37 0.69 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 26 M 9.22 5.01 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.52 0.00 27 Y 9.04 5.01 0.00 3.34 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 28 K 9.34 3.61 0.00 1.43 1.61 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.04 0.27 7.81 29 G 8.47 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 0.00 0.00 0.00 30 Q 8.00 4.87 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.95 0.00 0.00 0.00 0.00 0.00 2.26 2.43 0.00 31 P 0.00 5.06 0.00 2.11 2.10 0.00 3.78 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 32 M 9.49 4.92 0.00 2.04 1.96 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.80 0.00 33 T 8.42 4.75 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 1.22 0.00 0.00 34 F 9.65 4.98 0.00 3.10 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 35 R 9.17 5.07 0.00 1.87 1.75 0.00 3.34 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 36 L 8.68 4.40 0.00 1.60 1.78 0.96 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.61 3.98 0.00 0.82 1.28 0.26 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.90 4.25 0.00 2.04 1.90 1.17 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.41 5.13 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 0.81 0.00 0.00 0.99 0.00 0.00 40 D 9.09 4.98 0.00 2.93 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 41 T 8.89 4.87 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 42 P 0.00 4.56 0.00 2.05 2.07 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.09 0.00 43 E 9.21 4.01 0.00 2.07 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 2.47 2.43 0.00 *50 F 8.59 4.59 0.00 3.06 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 51 N 8.26 4.41 0.00 2.88 3.00 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 52 E 7.84 4.53 0.00 2.12 1.85 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 2.21 2.19 0.00 53 K 8.20 3.85 0.00 1.58 1.67 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.54 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.66 1.03 7.81 54 Y 7.73 4.13 0.00 3.17 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 55 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 56 P 0.00 4.42 0.00 2.05 2.00 0.00 3.38 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.13 0.00 57 E 8.16 4.07 0.00 2.33 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 58 A 8.52 4.03 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 59 S 8.53 4.15 0.00 4.25 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 60 A 8.40 4.11 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 61 F 8.55 4.00 0.00 3.23 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 62 T 8.28 3.97 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 1.30 0.00 0.00 63 K 8.31 3.89 0.00 1.90 2.04 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.54 1.55 7.81 64 K 8.19 3.84 0.00 1.86 1.77 0.00 1.65 0.00 0.00 1.48 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.39 7.81 65 M 7.53 3.87 0.00 1.95 1.77 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.52 0.00 66 V 7.89 3.86 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 0.90 0.00 0.00 1.02 0.00 0.00 67 E 8.47 4.10 0.00 2.02 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 2.34 2.35 0.00 68 N 8.05 4.49 0.00 2.75 2.83 0.00 0.00 6.99 6.65 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 69 A 7.29 4.39 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 70 K 9.33 4.11 0.00 1.87 1.88 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.51 7.81 71 K 8.45 4.52 0.00 1.79 1.73 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.32 1.40 7.81 72 I 8.43 4.99 2.01 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.04 0.84 0.00 0.00 73 E 9.12 4.93 0.00 1.88 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 2.20 2.22 0.00 74 V 8.72 4.52 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 -0.08 0.00 0.00 0.27 0.00 0.00 75 E 8.72 5.00 0.00 2.23 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 0.00 2.48 2.37 0.00 76 F 8.81 4.78 0.00 3.01 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 77 D 8.41 4.99 0.00 2.74 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 78 K 9.03 4.30 0.00 1.97 1.89 0.00 1.82 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.57 7.81 79 G 7.99 4.12 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 0.00 0.00 0.00 80 Q 8.66 3.88 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.67 0.00 0.00 0.00 0.00 0.00 2.47 2.28 0.00 81 R 8.51 4.54 0.00 1.61 1.34 0.00 2.71 0.00 0.00 2.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.51 0.00 82 T 7.43 4.94 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 1.11 0.00 0.00 83 D 8.98 4.91 0.00 2.73 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 84 K 8.13 3.92 0.00 1.56 1.70 0.00 1.24 0.00 0.00 1.42 0.00 0.00 2.66 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.66 0.21 7.81 85 Y 7.99 4.51 0.00 3.11 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 86 G 8.15 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 0.00 0.00 0.00 87 R 7.88 4.25 0.00 2.01 1.86 0.00 3.12 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 88 G 8.27 3.45 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 0.00 89 L 8.99 5.36 0.00 1.53 1.57 0.86 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.31 4.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.62 4.83 0.00 3.00 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 92 I 8.16 4.80 1.78 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 1.24 0.81 0.82 0.00 0.00 93 Y 9.26 5.21 0.00 2.83 2.82 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 94 A 9.09 4.89 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 0.00 0.00 0.00 0.00 0.00 95 D 9.90 4.49 0.00 2.76 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 96 G 8.27 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 97 K 7.85 4.50 0.00 1.97 1.77 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.38 7.81 98 M 8.44 4.07 0.00 1.87 1.53 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 2.16 0.00 99 V 8.63 3.64 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 1.15 0.00 0.00 0.96 0.00 0.00 100 N 8.03 4.32 0.00 2.85 2.93 0.00 0.00 6.74 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 0.00 101 E 8.09 3.92 0.00 1.96 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 2.37 2.36 0.00 102 A 8.21 4.06 1.66 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 0.00 103 L 8.22 3.46 0.00 1.85 1.65 1.01 1.16 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 0.00 104 E 7.97 4.02 0.00 2.13 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 0.00 2.52 2.50 0.00 105 R 8.09 4.20 0.00 1.87 2.13 0.00 3.30 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 106 Q 7.82 4.37 0.00 1.59 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.35 0.00 0.00 0.00 0.00 0.00 2.49 2.54 0.00 107 G 8.06 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 0.00 108 L 7.79 4.58 0.00 1.16 1.49 0.52 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.68 4.86 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.60 5.01 0.00 1.71 1.77 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.41 0.00 0.00 2.48 0.00 0.00 0.00 0.00 1.40 1.14 7.81 111 V 9.28 4.27 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 0.74 0.00 0.00 1.08 0.00 0.00 112 A 9.21 4.14 1.08 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 0.00 0.00 113 Y 7.51 3.27 0.00 3.24 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 0.00 114 V 7.16 4.05 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 0.93 0.00 0.00 0.98 0.00 0.00 115 Y 8.09 4.69 0.00 3.06 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 0.00 116 K 8.69 4.12 0.00 1.77 1.79 0.00 1.87 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.49 7.81 117 G 9.05 4.08 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 0.00 0.00 0.00 118 N 8.17 5.27 0.00 2.79 2.85 0.00 0.00 6.69 7.75 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 0.00 119 N 7.97 5.26 0.00 2.88 3.18 0.00 0.00 6.09 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 0.00 120 T 8.82 3.84 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 1.09 0.00 0.00 121 H 8.20 4.83 0.00 2.96 3.08 0.00 5.63 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.38 3.98 0.00 2.21 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 2.33 2.40 0.00 123 Q 8.06 3.99 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.65 0.00 0.00 0.00 0.00 0.00 2.46 2.36 0.00 124 L 7.95 3.93 0.00 1.74 1.81 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.14 4.06 0.00 1.78 1.74 1.06 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.40 3.91 0.00 1.82 1.95 0.00 3.12 0.00 0.00 3.07 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 127 K 8.27 3.88 0.00 1.91 1.96 0.00 1.49 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.47 7.81 128 A 7.89 3.96 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 0.00 129 E 8.43 3.99 0.00 2.27 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 0.00 2.01 2.48 0.00 130 A 8.17 3.73 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 0.00 131 Q 8.07 3.82 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 132 A 8.16 4.03 1.62 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 0.00 133 K 8.00 3.52 0.00 0.79 1.42 0.00 1.23 0.00 0.00 1.17 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.10 0.78 7.81 134 K 7.97 3.87 0.00 1.85 1.82 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.50 7.81 135 E 8.11 4.16 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 136 K 7.81 4.11 0.00 1.88 1.90 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.51 7.81 137 L 8.21 4.51 0.00 1.93 1.70 0.96 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 138 N 9.19 3.65 0.00 2.66 1.45 0.00 0.00 7.14 7.26 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 0.00 139 I 5.42 2.94 0.99 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 -0.15 -0.43 0.00 0.00 140 W 7.74 4.83 0.00 3.53 3.10 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 0.00 141 S 7.97 4.47 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 * Residues marked with a * may have inaccurate shift predictions.