NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 3.9871 8.3645 123.5776 51.7644 19.8666 178.8522 *2 K 4.1391 7.5620 125.3069 55.2012 34.1573 177.5476 3 A 4.9003 8.2521 126.8530 49.2261 23.0380 174.0763 4 D 5.3433 8.7281 119.5005 52.5661 44.8795 175.1609 5 I 4.9563 8.8262 123.5926 60.0123 39.2570 174.5131 6 L 5.1144 9.3930 128.0886 53.2572 43.8687 175.4938 7 L 4.8992 9.0016 124.9954 53.3040 43.5385 175.6332 8 V 4.7814 8.5832 124.7884 61.2092 34.3549 174.3323 9 S 5.2768 8.1916 119.7222 58.6073 65.5975 175.0457 10 H 4.7259 8.8654 119.9518 57.4708 29.9238 175.2542 11 S 4.8710 8.1132 114.0415 56.0954 63.0918 175.9253 12 K 4.4182 8.4155 131.9911 56.4055 31.3739 178.8273 *14 I 4.1255 7.8906 118.1862 61.2466 39.2766 178.4644 15 T 3.9846 7.7330 110.4890 64.9708 68.4864 176.2513 16 D 4.5017 8.6897 122.3625 56.7959 40.5497 179.0376 17 G 3.5290 7.8036 105.1766 47.8781 0.0000 175.1913 18 I 3.8584 7.8312 122.0264 63.8831 37.5728 178.0147 19 K 4.1170 8.1078 120.1002 59.5780 32.0241 178.9491 20 E 3.9915 8.0548 114.3753 57.6103 28.7530 178.6495 *22 I 4.2701 7.5643 121.1010 61.6348 39.1058 177.0827 23 E 4.1483 8.0415 117.8739 59.5682 29.3281 179.8186 24 Q 4.1993 7.7929 117.7123 55.6560 27.8704 175.9791 *26 N 4.3215 8.1202 116.0124 54.1418 39.6705 175.8006 *28 S 4.4853 8.4175 115.6321 57.5361 66.0660 173.9873 29 E 3.9981 8.2609 123.5411 58.0920 27.2479 178.6090 *31 I 4.1385 8.7878 116.3229 61.5225 38.7624 174.8830 32 T 4.5546 8.3470 123.8067 61.7569 70.9679 173.5841 33 I 4.7033 8.2697 126.9755 60.3106 38.7816 174.6355 34 H 4.8352 9.3398 125.0541 53.9837 31.1662 173.6254 35 S 4.6401 8.8315 119.3916 57.3077 62.4193 173.0526 36 L 4.8613 8.5516 128.0703 54.3269 42.7408 177.6222 37 G 3.6399 8.2008 108.0455 46.4041 0.0000 175.0444 38 G 3.8902 8.5511 107.2917 45.2597 0.0000 172.5352 39 T 4.4439 8.1647 113.6435 60.1149 69.3182 174.8890 40 S 4.0969 8.7693 116.0342 61.3271 62.6288 174.7910 41 D 4.6408 8.1434 117.4858 52.6618 39.2559 177.1277 42 G 3.9009 8.2455 107.3538 45.9268 0.0000 174.2843 43 S 4.4076 7.6008 115.0649 57.3924 63.6521 173.4247 44 L 4.4837 8.3873 122.1563 53.7900 41.6110 177.7324 45 G 4.0618 7.0375 111.9105 45.0548 0.0000 170.8796 46 S 4.8599 7.5510 112.2641 56.5928 66.5820 173.3351 47 D 4.8077 8.4545 121.5310 51.7719 43.7394 175.6740 48 P 4.5186 0.0000 0.0000 62.2811 30.5477 177.8541 *50 K 4.2147 8.0274 120.9294 57.6298 34.4558 177.3595 51 I 3.7339 7.7311 119.4226 64.3910 36.9531 178.5404 52 I 3.6311 7.6256 120.0300 64.5691 37.1812 178.0210 53 D 4.3985 8.0600 119.1793 57.6798 40.3992 179.0030 54 T 3.8496 7.5630 114.9797 66.5728 68.7229 176.4376 55 I 3.1412 7.6614 121.7883 64.4067 36.9183 178.2797 56 N 4.4597 8.2969 115.5775 55.4786 38.4440 176.5738 57 E 4.2912 7.8486 117.8624 56.4578 30.0839 176.4704 58 A 4.4709 7.0320 121.4306 51.0272 19.5845 176.7664 59 D 4.6468 8.3694 119.4645 54.3041 41.3363 177.3761 60 S 4.3938 8.5684 114.7601 59.7670 63.3830 174.3451 61 D 4.7085 7.9334 119.6926 53.2219 39.6433 175.7889 62 R 4.6472 7.4591 118.3577 54.7545 32.0569 175.3248 63 E 4.4438 9.3835 123.8284 55.5789 31.4282 175.1900 64 F 5.1195 9.3363 123.7427 55.7766 41.6726 174.5409 65 L 5.0274 9.1456 124.5531 53.1528 43.9213 175.4474 66 I 4.7460 8.7320 125.9407 59.6452 39.2043 174.6940 67 F 5.0898 9.2427 126.2261 55.6876 41.5096 174.8565 68 A 5.7569 8.7768 122.8440 50.0020 22.2801 174.5789 69 D 4.7956 8.7736 117.1066 53.7282 40.4822 176.5851 70 L 4.5387 7.8485 117.2417 54.4008 43.9594 175.4316 71 G 3.9815 8.4065 107.3519 46.4776 0.0000 176.8499 72 S 4.2063 8.7427 115.0762 60.6604 63.5010 176.6429 73 A 4.1800 7.7733 124.7402 54.4838 18.0487 179.7685 74 V 3.5389 7.6201 116.6010 66.0122 31.6217 177.7777 75 L 3.9122 7.9379 119.4956 58.5601 41.9662 178.6242 76 S 4.1523 8.6391 115.1451 62.1669 62.5901 177.2021 77 S 4.3063 7.7020 116.5128 61.7477 62.5697 176.3500 78 E 4.1950 8.1742 121.1629 59.4016 29.3365 179.4019 79 L 4.0443 8.3335 119.2363 57.4988 41.4581 179.2860 80 A 4.0917 7.9584 120.0365 54.6605 18.2867 178.5227 81 F 3.2921 7.3796 119.1197 61.1873 39.4972 175.8403 82 D 4.3645 7.3113 118.1715 54.5276 40.4557 175.9755 *84 L 3.9726 7.6958 117.5862 54.5718 43.0170 176.3208 85 E 4.3350 8.4290 118.9195 55.1005 30.5345 177.4339 86 E 3.7551 8.8512 122.5689 59.8266 29.4756 178.7517 87 D 4.6145 7.9673 114.4362 55.5869 41.4485 176.7473 88 Q 4.4964 8.1223 118.8185 57.2669 30.1137 178.0302 89 Q 3.9136 7.6940 117.0425 58.5640 28.7229 178.2935 90 K 4.2638 8.0512 114.8752 58.7235 32.9202 176.8885 91 H 5.0220 8.4153 116.0121 54.9003 29.3160 172.4077 92 Y 4.8253 7.9038 122.1886 56.5898 39.6311 175.0858 93 H 4.8441 9.0475 126.0975 53.6719 30.9632 173.5430 94 L 4.2173 8.4547 124.1998 54.5670 42.1454 176.9174 95 V 3.8401 7.8478 125.4099 61.2198 32.2743 175.8275 96 D 4.5125 8.6379 128.5010 53.4042 39.7490 174.2814 97 A 4.6278 7.9267 125.5995 49.4658 22.4344 174.3569 98 P 4.2274 0.0000 0.0000 63.0137 32.0243 176.7168 99 L 4.0053 8.7527 125.1006 58.7883 42.4337 179.2124 100 V 3.4993 7.7781 116.7638 66.3020 31.6758 177.9552 101 E 4.1047 8.1413 117.8780 58.8738 29.3304 179.5386 102 G 3.6141 8.3937 105.9431 47.7527 0.0000 175.5605 103 A 2.6119 7.2598 123.9460 54.0975 18.3083 179.3433 104 F 3.8612 8.2556 118.9319 61.4672 39.4028 177.0708 105 A 3.9525 8.1021 120.2416 55.3170 18.1803 179.7165 106 S 4.0392 8.3588 113.6375 61.7431 62.7224 176.6668 107 A 3.8993 7.8752 122.5356 55.2598 17.7909 179.5449 108 I 3.6605 7.3249 117.9924 64.7662 37.3532 178.8381 109 T 3.8895 8.1200 116.6638 66.4568 67.9976 176.6947 110 A 4.2592 7.9810 122.1694 54.7356 18.4527 178.9976 111 G 3.8284 7.4458 100.4787 45.3248 0.0000 174.1502 112 V 4.3988 7.4612 117.8345 62.0291 33.1443 175.1059 113 S 4.5984 7.7300 111.7718 58.0185 65.1178 172.8195 114 D 4.6895 8.6719 125.0991 54.1489 41.1796 176.0771 115 D 4.6864 7.8916 120.5504 52.3408 42.1804 176.2317 116 L 3.8329 8.4397 129.2849 58.8504 41.8872 178.7650 117 T 3.8630 7.7815 110.6485 64.9906 67.6094 175.7802 118 Q 4.1011 8.1259 119.6993 58.9441 28.7222 178.2420 119 I 3.6650 7.5715 120.8277 64.7460 37.3234 178.2432 120 L 3.9541 7.8548 118.9879 57.7433 41.5114 179.4749 121 A 4.2077 7.7113 121.7584 54.8691 18.1701 179.6835 122 E 4.0628 8.1414 114.7196 59.1527 29.6816 179.0639 123 A 4.2164 7.6782 120.7778 55.1185 18.4553 179.3753 124 Q 4.3107 8.0517 120.2140 59.2170 28.6964 179.4677 125 N 4.7154 7.6242 115.5452 54.6009 38.1043 176.8695 126 A 4.2979 6.8681 121.6829 53.8229 19.0026 177.9859 127 G 3.9385 8.7360 107.3778 45.2732 0.0000 174.0722 128 K 4.3754 7.4695 118.2990 55.3947 33.2824 176.5584 129 K 3.9866 7.9603 118.6419 54.9814 33.7192 176.1714 130 G 3.7752 8.0374 106.1313 46.8479 0.0000 173.8256 131 W 4.6855 8.1466 123.9369 56.5859 29.7488 175.8530 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 0 A 8.36 3.99 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 *2 K 7.56 4.14 0.00 1.49 1.80 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.03 7.81 3 A 8.25 4.90 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 D 8.73 5.34 0.00 2.71 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 5 I 8.83 4.96 1.90 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.70 0.97 0.00 0.00 6 L 9.39 5.11 0.00 1.65 1.65 1.19 0.35 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 7 L 9.00 4.90 0.00 1.62 1.64 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.58 4.78 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 1.00 0.00 0.00 1.03 0.00 0.00 9 S 8.19 5.28 0.00 3.93 3.80 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 10 H 8.87 4.73 0.00 3.14 3.33 0.00 5.94 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 S 8.11 4.87 0.00 3.88 3.75 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 12 K 8.42 4.42 0.00 1.96 1.77 0.00 1.82 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.67 1.48 7.81 *14 I 7.89 4.13 2.04 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.48 0.92 0.00 0.00 15 T 7.73 3.98 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 1.26 0.00 0.00 16 D 8.69 4.50 0.00 2.86 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 17 G 7.80 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 7.83 3.86 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.76 0.89 0.00 0.00 19 K 8.11 4.12 0.00 1.94 1.98 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.57 1.48 7.81 20 E 8.05 3.99 0.00 2.34 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 2.33 2.36 0.00 *22 I 7.56 4.27 1.95 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.75 0.84 0.00 0.00 23 E 8.04 4.15 0.00 2.00 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 0.00 2.33 2.40 0.00 24 Q 7.79 4.20 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.48 0.00 0.00 0.00 0.00 0.00 2.66 2.49 0.00 *26 N 8.12 4.32 0.00 2.73 2.77 0.00 0.00 7.00 7.57 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 *28 S 8.42 4.49 0.00 3.65 3.80 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 29 E 8.26 4.00 0.00 1.85 1.36 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 2.22 2.43 0.00 *31 I 8.79 4.14 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.49 0.86 0.00 0.00 32 T 8.35 4.55 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 1.08 0.00 0.00 33 I 8.27 4.70 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.77 0.90 0.00 0.00 34 H 9.34 4.84 0.00 3.06 3.25 0.00 5.61 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.83 4.64 0.00 4.01 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 36 L 8.55 4.86 0.00 1.74 1.64 0.96 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 37 G 8.20 3.64 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 0.00 0.00 0.00 38 G 8.55 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 39 T 8.16 4.44 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 1.32 0.00 0.00 40 S 8.77 4.10 0.00 4.02 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 41 D 8.14 4.64 0.00 2.80 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 42 G 8.25 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 S 7.60 4.41 0.00 3.94 3.81 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 44 L 8.39 4.48 0.00 1.62 1.60 0.93 0.88 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 45 G 7.04 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 46 S 7.55 4.86 0.00 3.89 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 47 D 8.45 4.81 0.00 2.56 2.52 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 48 P 0.00 4.52 0.00 2.26 2.45 0.00 3.79 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 *50 K 8.03 4.21 0.00 1.99 1.92 0.00 1.74 0.00 0.00 1.84 0.00 0.00 3.17 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.49 7.81 51 I 7.73 3.73 2.08 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.49 1.08 0.00 0.00 52 I 7.63 3.63 1.84 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 1.56 0.40 0.86 0.00 0.00 53 D 8.06 4.40 0.00 2.67 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 7.56 3.85 4.29 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 1.03 0.00 0.00 55 I 7.66 3.14 1.76 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.28 0.52 0.00 0.00 56 N 8.30 4.46 0.00 2.68 2.86 0.00 0.00 7.11 7.37 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 57 E 7.85 4.29 0.00 2.11 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 2.32 2.47 0.00 58 A 7.03 4.47 1.61 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 59 D 8.37 4.65 0.00 2.80 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 60 S 8.57 4.39 0.00 4.01 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 61 D 7.93 4.71 0.00 2.75 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 62 R 7.46 4.65 0.00 1.29 1.12 0.00 3.13 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.55 0.00 63 E 9.38 4.44 0.00 1.71 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 2.39 2.43 0.00 64 F 9.34 5.12 0.00 2.98 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 65 L 9.15 5.03 0.00 1.76 1.60 1.01 0.49 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 66 I 8.73 4.75 1.52 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.32 0.86 0.00 0.00 67 F 9.24 5.09 0.00 2.97 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 68 A 8.78 5.76 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 69 D 8.77 4.80 0.00 2.81 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 70 L 7.85 4.54 0.00 1.83 1.76 0.89 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.41 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 0.00 0.00 0.00 72 S 8.74 4.21 0.00 4.07 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 A 7.77 4.18 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 74 V 7.62 3.54 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 0.99 0.00 0.00 0.94 0.00 0.00 75 L 7.94 3.91 0.00 1.81 1.68 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 76 S 8.64 4.15 0.00 3.94 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 77 S 7.70 4.31 0.00 4.05 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 78 E 8.17 4.19 0.00 2.19 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 2.62 0.00 79 L 8.33 4.04 0.00 1.84 1.72 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 80 A 7.96 4.09 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.38 3.29 0.00 2.48 3.05 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 82 D 7.31 4.36 0.00 2.90 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 *84 L 7.70 3.97 0.00 1.41 1.43 0.65 0.89 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 85 E 8.43 4.33 0.00 1.95 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 2.22 2.34 0.00 86 E 8.85 3.76 0.00 1.93 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 2.36 2.34 0.00 87 D 7.97 4.61 0.00 2.72 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.12 4.50 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 89 Q 7.69 3.91 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.86 0.00 0.00 0.00 0.00 0.00 1.19 2.00 0.00 90 K 8.05 4.26 0.00 1.85 1.93 0.00 1.51 0.00 0.00 1.86 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.03 1.28 7.81 91 H 8.42 5.02 0.00 3.56 3.68 0.00 5.60 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 Y 7.90 4.83 0.00 3.04 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 H 9.05 4.84 0.00 3.04 3.16 0.00 5.67 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 L 8.45 4.22 0.00 1.48 1.56 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 95 V 7.85 3.84 0.82 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 0.63 0.00 0.00 0.44 0.00 0.00 96 D 8.64 4.51 0.00 2.68 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 97 A 7.93 4.63 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.23 0.00 2.26 2.04 0.00 3.94 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.05 0.00 99 L 8.75 4.01 0.00 1.95 1.70 1.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 100 V 7.78 3.50 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 1.04 0.00 0.00 0.92 0.00 0.00 101 E 8.14 4.10 0.00 2.09 1.97 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 2.33 2.36 0.00 102 G 8.39 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 0.00 103 A 7.26 2.61 0.80 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 0.00 0.00 104 F 8.26 3.86 0.00 3.11 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 0.00 105 A 8.10 3.95 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.36 4.04 0.00 4.03 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 0.00 107 A 7.88 3.90 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 108 I 7.32 3.66 1.70 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.38 0.81 0.00 0.00 109 T 8.12 3.89 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 1.19 0.00 0.00 110 A 7.98 4.26 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 0.00 111 G 7.45 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 0.00 112 V 7.46 4.40 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 0.78 0.00 0.00 0.96 0.00 0.00 113 S 7.73 4.60 0.00 3.79 3.81 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 0.00 114 D 8.67 4.69 0.00 2.67 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 0.00 115 D 7.89 4.69 0.00 2.78 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 0.00 116 L 8.44 3.83 0.00 1.74 1.62 0.73 0.58 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 0.00 117 T 7.78 3.86 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 1.27 0.00 0.00 118 Q 8.13 4.10 0.00 2.36 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.49 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 119 I 7.57 3.66 2.00 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 1.50 0.93 0.93 0.00 0.00 120 L 7.85 3.95 0.00 1.70 1.70 0.88 1.00 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 0.00 121 A 7.71 4.21 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 0.00 122 E 8.14 4.06 0.00 1.94 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 2.44 0.00 123 A 7.68 4.22 1.64 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 0.00 0.00 124 Q 8.05 4.31 0.00 2.39 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 125 N 7.62 4.72 0.00 2.88 2.72 0.00 0.00 7.08 7.34 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 0.00 126 A 6.87 4.30 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 0.00 127 G 8.74 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 0.00 128 K 7.47 4.38 0.00 1.70 1.68 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.79 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.42 7.81 129 K 7.96 3.99 0.00 0.79 0.74 0.00 1.29 0.00 0.00 1.39 0.00 0.00 2.96 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.94 0.50 7.81 130 G 8.04 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 0.00 0.00 0.00 131 W 8.15 4.69 0.00 3.33 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.