NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2760 8.1593 117.3738 63.5443 69.7582 173.5781 2 S 4.3943 8.3819 121.1705 55.9530 64.9620 173.2163 3 K 3.9940 9.4583 122.2434 59.7275 32.7536 179.5711 4 K 3.8270 8.1407 118.1420 59.6857 31.8362 178.7937 5 K 4.1008 7.6551 117.3182 58.3411 32.1270 177.7133 6 R 4.4711 7.7478 116.4430 56.6725 30.8610 177.5300 7 Q 4.1177 8.0752 119.7109 57.2209 28.4467 176.2321 8 R 4.0521 7.5148 119.1055 58.2152 30.2203 176.2787 9 G 4.1247 9.0458 111.7934 45.6565 0.0000 174.5345 10 S 4.1303 8.0039 113.4838 59.0825 63.4265 174.6103 11 R 4.2329 8.1284 125.0732 56.8993 29.2235 176.5174 12 T 4.3493 7.6342 104.5693 60.9682 69.5299 174.1361 13 H 4.7107 8.4502 117.4319 56.1614 26.5498 175.8342 14 G 3.9653 8.3072 106.4015 45.6914 0.0000 175.3735 15 G 3.6483 8.4216 107.9463 45.7693 0.0000 176.1163 16 G 3.8719 7.3893 106.9703 44.8755 0.0000 173.6206 17 S 4.1325 8.6619 116.1873 59.0021 62.6527 175.1635 18 H 4.4605 8.8322 120.9080 57.0420 28.3657 175.8724 19 K 4.0791 7.6699 119.1187 57.0673 31.8619 177.6297 20 N 4.3466 7.5744 117.4463 55.9254 39.0949 177.1746 21 R 4.3991 7.4289 120.6049 56.2945 29.1432 177.3206 22 R 4.4844 7.6087 121.5592 56.1452 30.9285 180.1427 23 G 4.1514 8.5921 122.5058 45.4818 0.0000 173.6514 24 A 4.2171 8.6933 120.3435 54.7031 18.2450 180.0777 25 G 3.5609 8.0875 104.3175 48.0252 0.0000 174.8510 26 H 4.5034 8.1476 118.5011 57.6869 29.8957 175.7237 27 R 4.4158 7.4867 116.9761 55.7818 30.9172 175.7184 28 G 3.8311 8.8126 105.7323 46.9382 0.0000 173.9097 29 G 3.9891 8.0631 105.4046 44.1037 0.0000 174.3583 30 R 4.3146 8.5584 117.9725 56.1877 32.0849 177.0119 31 G 3.8165 8.1602 110.0065 47.5314 0.0000 173.8004 32 D 4.7654 8.4950 119.9823 53.9915 41.1836 175.8303 33 A 3.9854 7.4384 122.6560 53.7000 18.9601 179.1254 34 G 3.7637 8.9662 110.0638 45.4143 0.0000 175.0744 35 R 3.9366 7.6364 116.5415 57.5687 29.1849 177.1921 36 D 5.0294 7.8465 115.4223 52.6747 42.3537 175.3588 37 K 4.4116 8.8131 118.8446 56.9677 32.2840 178.6055 38 H 4.3896 9.7824 126.1064 58.4732 28.0352 175.7809 39 E 4.7430 7.4524 121.0932 55.6879 30.5199 178.0769 40 F 4.9849 8.3702 115.4191 59.2140 38.3965 174.6341 41 H 3.5934 5.5969 115.3164 57.3191 28.4886 174.6429 42 N 4.3355 8.8600 119.8813 53.9751 36.0128 173.8582 43 H 4.7187 7.9243 115.3034 54.2676 30.1657 175.1862 44 E 4.1729 8.5090 121.9877 55.3539 29.9744 175.4469 45 P 4.4549 0.0000 0.0000 62.6897 31.8631 176.0674 46 L 4.1502 8.0250 119.0783 54.9648 42.2582 175.7762 47 G 4.1156 8.1631 105.8137 43.8499 0.0000 173.4140 48 K 4.5477 7.9481 119.1191 55.0415 34.2032 176.3972 49 S 4.3327 8.6188 111.6614 58.5988 65.2785 176.6506 50 G 4.0465 9.2922 117.8040 45.3630 0.0000 171.5765 51 F 4.9439 8.2348 112.5901 55.7441 40.8050 173.1622 52 K 4.2586 8.3113 119.2741 54.4359 35.0252 176.5106 53 R 4.5321 8.0565 121.4656 54.1103 31.5789 174.7481 54 P 4.3483 0.0000 0.0000 62.9499 31.4234 177.2385 55 Q 3.9337 8.9334 120.8428 58.9074 28.7691 178.2760 56 K 4.4634 7.9348 114.6540 56.7309 32.6827 176.9498 57 V 4.3517 7.9101 116.1071 62.8700 32.5619 175.1230 58 Q 4.5611 7.5844 116.7997 55.1949 30.0496 174.7496 59 E 4.5758 8.5093 120.4316 54.4155 32.0599 175.1397 60 E 4.4735 8.3860 123.0430 54.3066 31.8877 174.4244 61 A 4.1165 8.2560 128.8245 50.9593 20.2676 176.0775 62 A 4.5024 8.9154 124.0491 50.9540 20.2759 176.7624 63 T 5.4590 8.1293 112.1958 59.9377 72.0326 173.6017 64 I 4.3815 7.7649 119.5086 60.3825 41.5574 173.0827 65 D 5.2150 8.5840 128.4122 53.3109 42.3612 177.7932 66 V 3.6514 8.4836 116.3953 64.8348 31.4907 178.8879 67 R 3.9152 7.8550 117.8342 59.5145 29.5820 178.2222 68 E 3.9023 8.0821 117.8586 59.2395 29.8661 178.4753 69 I 3.8149 7.6722 119.3290 64.5617 37.0546 177.7729 70 D 4.3174 8.3309 117.6574 57.3989 41.1624 177.8417 71 E 4.2090 8.1791 117.5705 58.0375 29.6370 177.2869 72 N 4.9721 7.5736 116.4808 52.9006 39.5153 177.0040 73 V 3.2436 7.8939 112.6440 64.7489 31.7415 177.8100 74 T 4.0253 7.6589 108.0717 64.7367 68.6628 175.3371 75 L 4.0453 7.8851 120.7460 57.2117 42.1151 177.6705 76 L 4.3623 7.7486 119.7741 53.8039 41.0085 178.2126 77 A 4.1279 7.9060 122.1269 55.2617 18.8882 178.3330 78 A 4.3870 7.7873 117.7356 52.0449 18.5631 177.5521 79 D 4.2879 8.1777 119.8827 56.4181 44.3451 176.6174 80 D 4.1023 7.5900 122.3800 53.1931 39.8344 175.2337 81 V 4.2559 7.9130 123.0755 60.7880 31.8200 175.7614 82 A 4.3723 7.7652 128.7343 50.7416 20.2849 177.3386 83 E 3.7409 8.8287 112.0482 59.5702 29.6947 176.9065 *89 F 4.4920 7.7323 117.4306 57.3739 41.1636 173.7710 90 R 5.2037 8.6605 120.2810 54.7500 31.9220 175.0576 91 V 4.4928 8.7059 126.3601 59.8438 34.7957 174.3544 92 D 4.5552 8.6902 124.2830 53.0678 41.5138 176.5031 93 V 3.5833 8.6205 127.8250 66.2051 31.6864 178.3112 94 R 3.8155 7.7539 117.5634 59.3674 29.9567 176.9981 95 D 4.7675 8.1715 115.5265 54.2239 40.9684 176.4702 96 V 4.1451 8.2838 119.4334 64.2193 33.2835 176.5495 97 V 3.6803 7.6049 118.5192 62.5810 31.6721 175.4614 98 E 4.1886 8.6288 126.3711 56.5821 30.1658 176.1736 99 E 4.1515 8.6120 115.7247 57.6824 26.9675 175.2552 100 A 4.3967 7.5054 118.7886 52.5753 18.8396 178.7763 101 D 4.6638 7.5803 117.0604 56.7801 42.0049 179.3267 102 D 4.7605 7.8713 116.9760 53.5172 39.2029 175.6805 103 A 4.7219 7.9640 122.0506 51.1340 21.4785 177.0856 104 D 4.6266 8.6928 121.2166 56.9719 42.0315 175.6964 105 Y 4.6702 7.0623 113.9485 56.5049 40.8373 172.6290 106 V 4.7941 9.1944 121.1076 61.2491 33.8055 174.3784 107 K 4.7989 9.1600 128.9915 54.5684 35.6267 174.5559 108 V 4.5853 8.2777 127.4008 61.6234 33.1462 174.8506 109 L 4.8087 9.2337 128.1659 52.6186 44.4474 176.7656 110 G 4.3829 7.7623 106.7524 45.5331 0.0000 173.8832 111 A 4.5545 7.9870 121.0403 51.7399 21.3653 179.1585 112 G 4.0077 8.9433 108.8576 44.2802 0.0000 172.2142 113 Q 4.6011 8.1978 116.6277 53.9881 31.5070 175.3198 114 V 4.2632 8.0953 118.1902 61.7581 33.0149 174.9819 115 R 4.5474 8.7831 126.2177 55.9956 30.1660 175.7353 116 H 4.9760 7.6954 113.8459 54.2164 32.8939 172.5730 117 E 4.7196 8.7001 119.1744 54.9216 30.2606 175.5207 118 L 5.1283 8.5790 124.2854 53.0549 45.8069 175.9378 119 T 4.9622 9.1317 119.9732 62.1542 70.4479 172.9364 120 L 5.2413 8.6300 127.3407 53.1697 44.3521 176.0056 121 I 5.5607 8.8469 123.7741 59.0564 39.6301 174.5706 122 A 4.8265 8.6375 127.5083 50.5197 22.7717 175.8592 123 D 4.3989 8.5769 117.6200 56.7422 41.9891 176.3707 124 D 4.6446 7.0420 115.2334 53.5372 44.3796 174.2935 125 F 5.4324 8.7497 120.9601 55.7482 43.4551 174.3646 126 S 4.5736 8.6015 115.6162 57.4632 64.5828 174.6540 127 E 4.0256 9.2371 122.4905 59.9977 29.2591 179.7885 128 G 3.6051 8.1216 104.6922 47.6409 0.0000 175.4131 129 A 4.1141 8.1448 123.1441 54.9489 18.2903 179.9395 130 R 3.7271 7.9769 116.0409 59.5088 30.3628 178.5733 131 E 3.9145 8.0757 118.2080 59.8270 29.5558 180.0475 132 K 3.9915 7.9659 117.5620 59.4036 32.2089 179.7026 133 V 3.6285 7.8191 118.5800 66.0635 31.4547 177.9159 134 E 4.7445 8.0658 119.9690 58.4022 29.1005 179.4032 135 G 3.6685 7.8712 105.1244 46.9452 0.0000 174.2602 136 A 4.6320 7.9315 121.8155 51.3575 20.1142 177.2299 137 G 3.6089 8.0456 106.4560 48.7572 0.0000 173.3208 138 G 4.4829 8.0330 105.9733 43.9954 0.0000 172.4929 139 S 5.0821 8.8719 112.7657 56.3880 66.9688 173.3535 140 V 4.4363 8.1567 120.0757 61.1716 33.7044 174.2778 141 E 4.5857 9.5330 128.9110 54.4896 31.5497 174.9739 142 L 4.9405 8.5332 127.7076 54.5350 42.8981 176.5366 143 T 4.0951 8.9614 123.7359 63.7478 69.6870 175.2988 144 D 4.3292 8.7947 121.8783 57.5683 41.1258 178.9610 145 L 3.9666 8.1044 119.6719 58.0161 42.0777 178.1440 146 G 3.9204 7.5708 105.9395 46.9849 0.0000 173.2836 147 E 4.3946 8.1675 121.9128 56.1919 28.4513 176.4964 148 E 4.6702 7.7099 112.1480 56.1001 31.5722 177.5961 149 R 4.3793 7.5969 120.1881 53.6592 29.3277 176.1135 150 Q 4.2960 8.0496 121.9635 56.7612 29.2785 173.3171 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 1 T 8.16 4.28 4.24 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 1.20 0.00 0.00 2 S 8.38 4.39 0.00 4.05 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 K 9.46 3.99 0.00 1.84 1.84 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.53 7.81 4 K 8.14 3.83 0.00 1.83 1.87 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.53 7.81 5 K 7.66 4.10 0.00 1.68 2.02 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.15 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.52 7.81 6 R 7.75 4.47 0.00 1.89 1.91 0.00 3.20 0.00 0.00 3.21 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.77 0.00 7 Q 8.08 4.12 0.00 1.89 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.69 6.96 0.00 0.00 0.00 0.00 0.00 2.59 2.44 0.00 8 R 7.51 4.05 0.00 1.79 1.90 0.00 3.35 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 9 G 9.05 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 10 S 8.00 4.13 0.00 3.97 3.98 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 0.00 0.00 0.00 11 R 8.13 4.23 0.00 1.98 2.13 0.00 3.20 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 12 T 7.63 4.35 4.32 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 1.31 0.00 0.00 13 H 8.45 4.71 0.00 3.23 3.37 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.31 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 0.00 0.00 0.00 15 G 8.42 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 16 G 7.39 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.66 4.13 0.00 3.87 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 18 H 8.83 4.46 0.00 3.31 3.38 0.00 5.57 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.67 4.08 0.00 1.73 1.81 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.29 1.30 7.81 20 N 7.57 4.35 0.00 2.75 2.57 0.00 0.00 6.96 7.06 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 21 R 7.43 4.40 0.00 1.78 1.90 0.00 3.18 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 22 R 7.61 4.48 0.00 1.74 0.97 0.00 3.21 0.00 0.00 3.20 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 23 G 8.59 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.69 4.22 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 0.00 0.00 0.00 0.00 0.00 25 G 8.09 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 H 8.15 4.50 0.00 3.19 3.47 0.00 5.90 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.49 4.42 0.00 2.04 1.88 0.00 3.37 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 28 G 8.81 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 0.00 0.00 0.00 29 G 8.06 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 30 R 8.56 4.31 0.00 1.89 1.85 0.00 3.29 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 31 G 8.16 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 0.00 0.00 0.00 32 D 8.49 4.77 0.00 2.73 2.68 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 33 A 7.44 3.99 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.97 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.64 3.94 0.00 1.61 1.79 0.00 2.74 0.00 0.00 3.17 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 36 D 7.85 5.03 0.00 2.74 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 37 K 8.81 4.41 0.00 1.77 1.39 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.36 1.51 7.81 38 H 9.78 4.39 0.00 3.32 3.46 0.00 5.47 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.45 4.74 0.00 1.94 1.90 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 2.20 2.00 0.00 40 F 8.37 4.98 0.00 3.24 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 41 H 5.60 3.59 0.00 2.87 3.07 0.00 5.76 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.86 4.34 0.00 2.82 2.91 0.00 0.00 7.14 8.16 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 43 H 7.92 4.72 0.00 3.32 3.25 0.00 5.85 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.51 4.17 0.00 1.98 1.90 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 2.32 2.30 0.00 45 P 0.00 4.45 0.00 2.19 2.09 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 46 L 8.02 4.15 0.00 1.66 1.64 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.16 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 48 K 7.95 4.55 0.00 1.76 1.76 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.41 7.81 49 S 8.62 4.33 0.00 3.79 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 50 G 9.29 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 F 8.23 4.94 0.00 3.14 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 52 K 8.31 4.26 0.00 1.68 1.62 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.73 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.20 1.34 7.81 53 R 8.06 4.53 0.00 1.77 1.89 0.00 3.34 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.52 0.00 54 P 0.00 4.35 0.00 2.23 2.21 0.00 3.79 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 55 Q 8.93 3.93 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.09 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 56 K 7.93 4.46 0.00 1.86 1.88 0.00 1.52 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.42 7.81 57 V 7.91 4.35 2.22 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 0.85 0.00 0.00 0.95 0.00 0.00 58 Q 7.58 4.56 0.00 2.24 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.38 0.00 0.00 0.00 0.00 0.00 2.31 2.47 0.00 59 E 8.51 4.58 0.00 1.94 1.81 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 2.25 2.29 0.00 60 E 8.39 4.47 0.00 1.92 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 61 A 8.26 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.92 4.50 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 63 T 8.13 5.46 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 1.19 0.00 0.00 64 I 7.76 4.38 1.85 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 1.34 1.20 0.89 0.00 0.00 65 D 8.58 5.21 0.00 2.74 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 66 V 8.48 3.65 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 0.85 0.00 0.00 1.00 0.00 0.00 67 R 7.85 3.92 0.00 1.97 1.98 0.00 3.09 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 68 E 8.08 3.90 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 69 I 7.67 3.81 2.01 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 1.52 0.59 0.90 0.00 0.00 70 D 8.33 4.32 0.00 2.68 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 E 8.18 4.21 0.00 1.98 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 2.34 2.62 0.00 72 N 7.57 4.97 0.00 2.61 2.71 0.00 0.00 6.82 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 73 V 7.89 3.24 0.67 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 0.42 0.00 0.00 0.53 0.00 0.00 74 T 7.66 4.03 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 1.22 0.00 0.00 75 L 7.89 4.05 0.00 1.74 1.77 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.75 4.36 0.00 1.82 1.62 0.87 0.64 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 77 A 7.91 4.13 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 78 A 7.79 4.39 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 79 D 8.18 4.29 0.00 2.88 2.61 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 80 D 7.59 4.10 0.00 3.25 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 7.91 4.26 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 0.47 0.00 0.00 1.01 0.00 0.00 82 A 7.77 4.37 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 83 E 8.83 3.74 0.00 2.05 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 0.00 2.26 2.35 0.00 *89 F 7.73 4.49 0.00 3.00 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 90 R 8.66 5.20 0.00 1.85 1.85 0.00 3.22 0.00 0.00 3.45 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 91 V 8.71 4.49 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 0.69 0.00 0.00 0.95 0.00 0.00 92 D 8.69 4.56 0.00 2.78 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 8.62 3.58 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 0.87 0.00 0.00 0.99 0.00 0.00 94 R 7.75 3.82 0.00 1.93 2.01 0.00 3.22 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 95 D 8.17 4.77 0.00 2.77 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.28 4.15 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 0.75 0.00 0.00 0.93 0.00 0.00 97 V 7.60 3.68 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 0.83 0.00 0.00 0.97 0.00 0.00 98 E 8.63 4.19 0.00 2.05 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 2.38 2.31 0.00 99 E 8.61 4.15 0.00 2.07 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 2.20 2.26 0.00 100 A 7.51 4.40 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 D 7.58 4.66 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 0.00 102 D 7.87 4.76 0.00 2.76 2.74 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 0.00 103 A 7.96 4.72 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 0.00 104 D 8.69 4.63 0.00 2.57 2.61 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 0.00 105 Y 7.06 4.67 0.00 3.09 2.98 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 0.00 0.00 0.00 106 V 9.19 4.79 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 0.87 0.00 0.00 0.93 0.00 0.00 107 K 9.16 4.80 0.00 2.02 1.65 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.52 7.81 108 V 8.28 4.59 1.90 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 1.01 0.00 0.00 0.78 0.00 0.00 109 L 9.23 4.81 0.00 1.77 1.56 0.92 0.91 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 0.00 110 G 7.76 4.38 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 0.00 111 A 7.99 4.55 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 0.00 112 G 8.94 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 0.00 113 Q 8.20 4.60 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.75 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 114 V 8.10 4.26 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 0.96 0.00 0.00 0.95 0.00 0.00 115 R 8.78 4.55 0.00 1.62 1.79 0.00 3.14 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 116 H 7.70 4.98 0.00 3.16 3.33 0.00 5.69 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.70 4.72 0.00 2.01 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 0.00 2.29 2.24 0.00 118 L 8.58 5.13 0.00 1.64 1.63 1.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 119 T 9.13 4.96 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 1.24 0.00 0.00 120 L 8.63 5.24 0.00 1.82 1.85 1.09 0.67 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 0.00 121 I 8.85 5.56 1.94 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 1.18 0.40 0.97 0.00 0.00 122 A 8.64 4.83 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 D 8.58 4.40 0.00 2.74 2.63 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 0.00 0.00 0.00 0.00 124 D 7.04 4.64 0.00 2.49 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 0.00 0.00 0.00 0.00 125 F 8.75 5.43 0.00 2.86 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 0.00 126 S 8.60 4.57 0.00 3.92 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 0.00 127 E 9.24 4.03 0.00 2.07 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 2.52 2.42 0.00 128 G 8.12 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 0.00 129 A 8.14 4.11 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 0.00 0.00 0.00 0.00 0.00 130 R 7.98 3.73 0.00 1.99 1.94 0.00 3.15 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 131 E 8.08 3.91 0.00 2.19 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 2.34 2.58 0.00 132 K 7.97 3.99 0.00 1.85 1.86 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.68 7.81 133 V 7.82 3.63 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 1.08 0.00 0.00 1.05 0.00 0.00 134 E 8.07 4.74 0.00 2.01 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 2.27 2.29 0.00 135 G 7.87 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 0.00 136 A 7.93 4.63 1.43 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 0.00 137 G 8.05 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 0.00 138 G 8.03 4.48 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 0.00 0.00 0.00 139 S 8.87 5.08 0.00 3.81 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 0.00 140 V 8.16 4.44 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 -0.77 0.00 0.00 0.37 0.00 0.00 141 E 9.53 4.59 0.00 2.06 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 2.23 2.21 0.00 142 L 8.53 4.94 0.00 1.72 1.63 1.23 1.11 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 0.00 143 T 8.96 4.10 4.37 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 1.26 0.00 0.00 144 D 8.79 4.33 0.00 2.71 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 0.00 145 L 8.10 3.97 0.00 1.61 1.85 0.98 1.00 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 0.00 146 G 7.57 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 0.00 0.00 0.00 147 E 8.17 4.39 0.00 2.02 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 2.33 2.47 0.00 148 E 7.71 4.67 0.00 1.82 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.58 0.00 149 R 7.60 4.38 0.00 1.77 1.87 0.00 3.30 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 150 Q 8.05 4.30 0.00 1.99 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.65 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 * Residues marked with a * may have inaccurate shift predictions.