NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 V 3.8989 8.0544 114.0517 61.1329 33.1686 174.7543 *11 R 4.1367 7.4107 119.9003 56.2552 32.0196 174.6331 12 K 4.9869 8.4080 123.1548 54.7338 35.3419 175.0504 13 I 4.4053 8.1150 124.1834 59.4409 40.0985 174.4636 14 I 4.5715 7.8865 128.4156 59.9674 38.9409 174.7342 15 I 4.6828 8.5672 128.5862 58.8194 38.7829 176.8810 16 A 4.5276 8.7456 133.9111 50.7873 15.8898 177.1792 17 S 4.5039 7.7209 113.1595 58.0833 66.8680 176.7012 18 Q 4.5024 8.8188 124.1876 55.8228 29.0653 175.7840 19 N 4.4466 8.2926 118.9995 52.8382 39.8812 173.4923 20 P 4.2129 0.0000 0.0000 65.8024 31.5810 178.3733 21 A 4.0591 8.1117 119.1223 55.1611 18.2785 179.9410 22 K 4.0391 8.0001 116.4594 59.4963 32.2786 179.5648 23 V 3.5842 8.0034 118.6637 66.0610 31.3607 177.7024 24 N 4.1919 8.5988 116.3070 56.2863 38.4356 177.0411 25 A 4.0046 8.0659 121.9921 55.3064 18.4920 179.9068 26 V 3.6234 7.7328 116.4750 66.0521 31.5553 177.9780 27 R 2.5927 7.7077 118.5028 59.2355 29.7839 178.3514 28 S 4.0442 8.2442 112.7174 61.2532 62.3960 175.9958 29 A 3.9179 8.1617 123.4135 55.3280 18.0886 179.7163 30 F 4.0556 8.5018 116.3348 60.7896 38.8338 178.1959 31 S 4.4048 8.7480 115.2848 61.7292 62.3456 176.9587 32 T 3.9230 7.8824 117.8942 66.6632 68.3549 176.7348 33 V 3.5914 7.5168 118.6470 64.0889 32.7548 176.2024 34 F 5.1409 8.1809 117.7559 55.0355 38.7078 173.9556 35 P 4.7272 0.0000 0.0000 64.4401 31.9979 178.3129 36 D 4.5674 8.1106 117.9590 56.1189 41.4328 176.8994 37 Q 4.0427 7.5675 116.7795 55.1098 29.4537 174.9780 38 E 4.7489 7.7290 119.0117 54.4386 32.3679 175.6444 39 W 5.1796 8.2929 120.6934 54.9938 33.6660 174.3024 40 E 4.3333 9.1376 125.2165 55.4019 30.0218 175.0071 41 F 4.8724 8.8563 126.6610 56.6523 40.3808 175.5345 42 I 4.5025 8.9609 124.7035 59.3602 40.5062 174.7789 43 G 4.2197 8.7243 114.9228 45.0332 0.0000 172.9977 44 V 4.7027 8.8969 117.9024 59.5713 36.0181 174.6851 45 S 5.0127 8.6210 118.7077 57.2404 63.9555 174.2611 46 V 4.5832 8.2090 116.9389 58.6204 35.5831 173.6003 47 P 4.4443 0.0000 0.0000 62.7765 31.6110 177.0615 48 S 4.3235 8.6953 115.8684 58.5845 63.7765 174.8254 49 E 3.7524 8.3930 118.2819 57.0905 26.7064 173.7313 50 V 4.5012 7.4315 110.2509 59.1289 35.8748 175.0849 51 A 4.1753 8.4625 123.6893 52.3768 18.5889 177.5896 52 D 4.4254 8.8219 120.9352 56.9202 40.9735 176.4453 53 Q 4.4492 7.6491 119.2022 53.2559 30.3401 173.6075 54 P 5.1823 0.0000 0.0000 61.6756 33.1052 175.0416 *56 S 4.6454 8.4285 113.4604 58.7479 64.3317 174.5697 57 D 4.6569 9.8061 120.5971 57.7863 40.8745 178.2758 58 E 3.8326 8.2518 119.0869 59.4358 29.5530 178.2566 59 E 3.9676 8.2076 118.7112 59.4588 29.7369 178.7666 60 T 3.9631 8.2319 115.8517 66.5215 68.5488 176.5942 61 K 3.5485 8.1990 121.6343 59.4494 32.0804 178.6483 62 Q 3.9841 8.3340 118.8579 58.9551 28.6290 179.2686 63 G 3.6566 8.2304 106.2967 47.1726 0.0000 175.5847 64 A 4.0639 7.8613 123.0319 54.7643 18.4303 179.6763 65 L 3.9232 8.1311 117.7457 58.0796 41.6089 179.5645 66 N 4.3467 8.6204 116.7472 56.3847 38.3945 177.7485 67 R 3.9294 8.1597 119.5074 59.1150 30.1400 179.2793 68 V 3.6167 7.8368 118.1058 66.0097 31.5991 177.9595 69 R 3.7987 8.0311 118.3918 59.6336 29.8086 178.2728 70 N 4.3339 8.5241 116.2760 56.1405 38.4975 177.3064 71 A 4.1316 8.3040 122.4478 55.0521 18.2653 179.7643 72 K 3.1642 7.6777 116.0021 59.3258 32.1282 179.0699 73 Q 4.0277 7.6042 118.2549 59.3494 29.1487 178.0093 74 R 4.0304 8.1534 118.6225 58.3231 31.4961 176.2197 75 H 4.9870 8.3447 114.3793 53.3530 28.9488 171.1171 76 P 4.5701 0.0000 0.0000 63.2117 32.3316 177.6286 77 G 3.9648 9.0015 107.1344 45.2694 0.0000 174.0218 78 A 4.1420 7.6093 122.0476 51.6209 18.9199 177.2438 79 E 3.9940 8.8992 121.7081 58.8313 30.7977 176.3462 80 Y 4.9921 7.3737 114.9361 56.2399 42.6437 174.0320 81 Y 5.1801 9.3456 119.1017 56.2546 42.1432 174.7776 82 V 4.8896 9.0965 123.2501 61.1337 34.7162 174.2656 83 G 4.4985 9.2199 115.5355 44.6303 0.0000 173.2079 84 L 4.7540 8.3332 125.3344 53.8932 44.3598 174.6239 85 E 4.7961 9.2633 126.0129 54.5281 33.3765 175.3660 86 A 4.7727 8.8690 126.3070 51.9872 20.4719 176.1603 87 G 4.5298 8.3405 106.1004 46.4033 0.0000 171.7922 88 I 4.8781 8.0734 119.5989 59.3969 41.0088 175.3992 89 E 4.7126 9.1156 125.5448 54.8111 33.3160 174.2549 90 E 3.5601 9.1173 126.0903 58.1444 28.5458 174.8058 91 N 4.8536 9.0193 124.4211 53.4282 37.5889 174.1371 92 K 5.0155 8.1391 118.4421 55.3986 35.3582 175.0883 93 T 4.9570 8.6028 116.8915 59.6102 71.1570 172.4653 94 F 4.9894 7.1068 119.1487 56.5112 41.2356 171.9502 95 A 5.1501 8.7625 119.3013 50.5028 22.8426 176.2292 96 W 4.6010 8.9833 121.0522 55.2555 32.8241 174.7290 *98 I 4.4936 8.0158 119.7053 61.8595 38.2973 175.0710 99 V 5.0082 8.9630 127.2291 61.1609 34.2417 174.1016 100 E 5.5753 9.5400 126.9840 55.0438 33.4215 175.9401 101 S 4.7657 8.7497 118.6150 56.2715 65.6143 173.3969 102 D 4.5269 8.6509 118.7829 56.6673 40.7305 176.9447 103 Q 4.6156 8.0894 114.0936 55.6588 30.4096 174.8980 104 Q 4.5994 8.1663 118.9676 54.3852 32.4589 173.0373 105 R 5.3852 8.4081 121.7515 54.6731 33.0622 174.3122 106 G 4.8915 9.8013 113.0852 43.9509 0.0000 171.4880 107 E 5.2927 8.5277 117.1043 55.6162 32.4301 174.2637 108 S 4.5896 8.6253 113.8554 57.3878 65.4856 173.3525 109 R 3.9487 7.6441 127.1575 54.4029 30.7465 176.1138 110 S 4.3783 8.5383 121.3465 57.7520 64.0747 173.8417 111 A 4.1493 8.5521 122.8043 52.8734 18.4549 177.1046 112 C 5.0147 8.6414 116.9310 56.6388 31.8473 173.7293 113 L 4.4138 8.6019 123.5743 55.1217 44.4540 176.5495 *115 L 4.4629 8.5864 116.7946 53.4467 43.0066 174.4693 116 P 4.3810 0.0000 0.0000 62.0495 32.2182 175.6345 117 P 4.2336 0.0000 0.0000 66.0062 31.2814 178.6098 118 L 3.8894 7.8815 118.2715 58.0338 41.8887 179.1441 119 V 3.5188 7.6137 117.5724 66.0481 31.6980 177.7470 120 L 3.9980 7.9641 118.6917 57.8256 41.2227 179.3727 121 E 3.9618 8.1702 117.5323 59.7622 29.7283 179.5637 122 R 4.0731 7.9463 117.6152 58.6240 29.9678 178.8462 123 L 3.9118 8.2942 120.9806 58.2134 41.9829 178.9366 124 R 3.9625 7.8861 116.2762 58.4745 30.0455 177.2310 125 Q 4.4287 7.5591 115.1380 54.9680 29.5834 174.5660 126 A 4.5317 8.4040 124.5842 52.0567 22.8001 179.2964 *128 E 4.1685 9.0097 119.2790 57.4713 30.6588 176.3419 129 L 3.9724 8.5477 122.6704 58.1849 42.5802 179.4109 130 G 3.7427 8.1651 104.3946 47.9890 0.0000 174.8767 131 D 4.5942 8.1382 121.3928 56.9407 40.6719 178.6572 132 V 3.7968 7.3606 115.4299 63.9937 31.2500 177.0369 *134 D 4.6041 7.9598 118.8243 54.2029 42.7263 177.5409 135 E 3.9408 7.9572 118.6365 59.1134 29.8794 178.0711 136 V 3.5517 7.9872 117.7922 65.4309 31.5437 176.7021 137 F 4.4527 8.0674 115.8659 57.1036 39.4673 177.0037 138 G 3.8174 7.9588 107.5705 46.2125 0.0000 174.6438 *146 G 3.6180 7.8250 107.8601 43.7970 0.0000 174.4038 147 G 4.1323 7.7607 109.8211 44.4078 0.0000 173.9343 148 A 3.8026 8.4777 119.0348 55.4653 18.0201 179.8120 149 I 3.6554 7.7032 117.5709 64.3859 37.1102 178.6342 150 G 3.5254 7.7960 105.7750 47.3533 0.0000 175.2414 151 L 3.6941 7.5260 122.0637 57.4873 41.4246 179.9492 152 L 4.0608 7.8908 117.4731 56.8765 41.9364 178.5639 153 T 4.3527 7.6869 108.1998 60.1718 69.2042 174.7660 154 R 3.8630 8.4564 119.0122 58.0553 28.2951 176.5035 155 H 4.1912 8.2737 110.2576 56.8277 26.9955 176.4745 156 H 4.3707 7.9204 118.2121 57.8877 28.8325 175.4556 157 L 4.8792 7.9821 118.2664 52.3591 45.5393 175.1168 158 T 4.8427 8.0698 110.1592 59.0072 73.0147 174.9574 159 R 3.5305 8.3905 121.2755 59.6395 29.8997 178.6534 160 S 4.0299 7.8041 113.5846 61.6594 62.8067 176.3967 161 T 3.9484 7.9436 113.4112 64.2546 68.0205 176.9984 162 V 3.7192 7.8084 121.2957 66.0995 31.5249 177.7051 163 Y 4.3707 8.3890 116.9067 61.1231 37.6224 177.8426 164 H 4.1365 8.4178 119.4075 59.4021 29.9418 177.2353 165 Q 3.9181 7.7865 118.0781 59.0743 28.5109 178.8640 166 A 3.9480 7.6877 120.6779 54.9987 18.1274 179.7088 167 L 3.8794 7.9534 117.0212 57.9598 42.0186 179.4258 168 I 3.6566 7.6200 119.7144 64.3601 37.1371 178.5290 169 L 3.9489 8.0567 119.6102 57.6347 41.4412 179.3077 170 A 4.1628 8.3243 120.4758 54.2514 18.3237 178.7342 171 L 4.5557 7.6619 116.4942 55.5773 42.0544 178.6440 172 I 3.5707 7.4203 120.9170 64.2493 36.8882 176.2729 173 P 3.4531 0.0000 0.0000 65.1607 31.0286 178.3077 174 F 4.5357 7.6326 116.0378 60.4066 39.0276 177.6870 175 I 4.1715 7.9452 118.1794 63.0716 38.4488 175.8464 176 N 5.4482 8.3230 115.5012 49.8836 38.9030 173.5919 177 P 4.4100 0.0000 0.0000 65.9052 32.1393 179.1636 178 E 3.9530 8.3428 117.9969 58.8011 29.4898 177.6769 179 H 4.6698 8.1557 113.5504 55.7313 29.6944 174.3628 180 Y 4.4711 8.7694 118.9141 57.7918 40.2260 174.1813 181 P 4.6231 0.0000 0.0000 62.3380 31.6655 169.9970 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 9 V 8.05 3.90 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 0.84 0.00 0.00 0.91 0.00 0.00 *11 R 7.41 4.14 0.00 1.85 1.87 0.00 3.17 0.00 0.00 3.31 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.82 0.00 12 K 8.41 4.99 0.00 1.58 1.52 0.00 1.62 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.38 7.81 13 I 8.12 4.41 0.88 0.00 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 -0.23 0.45 0.00 0.00 14 I 7.89 4.57 1.34 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.69 0.95 0.00 0.00 15 I 8.57 4.68 1.90 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.72 0.95 0.00 0.00 16 A 8.75 4.53 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 17 S 7.72 4.50 0.00 3.93 3.68 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 18 Q 8.82 4.50 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.71 0.00 0.00 0.00 0.00 0.00 2.48 2.31 0.00 19 N 8.29 4.45 0.00 2.79 2.74 0.00 0.00 7.19 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 20 P 0.00 4.21 0.00 2.19 2.09 0.00 3.67 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 21 A 8.11 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 22 K 8.00 4.04 0.00 2.03 1.92 0.00 1.74 0.00 0.00 1.91 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.67 1.59 7.81 23 V 8.00 3.58 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 1.04 0.00 0.00 0.96 0.00 0.00 24 N 8.60 4.19 0.00 2.91 2.82 0.00 0.00 6.94 7.47 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 25 A 8.07 4.00 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 0.00 0.00 26 V 7.73 3.62 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 1.17 0.00 0.00 1.08 0.00 0.00 27 R 7.71 2.59 0.00 1.02 1.74 0.00 3.01 0.00 0.00 3.01 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.15 0.00 28 S 8.24 4.04 0.00 3.88 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 29 A 8.16 3.92 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 30 F 8.50 4.06 0.00 3.48 3.41 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 31 S 8.75 4.40 0.00 4.08 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 32 T 7.88 3.92 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 1.20 0.00 0.00 33 V 7.52 3.59 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 -0.38 0.00 0.00 0.60 0.00 0.00 34 F 8.18 5.14 0.00 3.76 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 35 P 0.00 4.73 0.00 2.23 2.24 0.00 3.47 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.98 0.00 36 D 8.11 4.57 0.00 2.73 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 37 Q 7.57 4.04 0.00 1.26 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.60 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 38 E 7.73 4.75 0.00 1.73 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 2.20 2.24 0.00 39 W 8.29 5.18 0.00 2.54 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 0.00 0.00 0.00 40 E 9.14 4.33 0.00 2.00 1.78 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 2.25 2.30 0.00 41 F 8.86 4.87 0.00 2.92 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 42 I 8.96 4.50 1.79 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 1.15 0.96 0.87 0.00 0.00 43 G 8.72 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 0.00 0.00 0.00 44 V 8.90 4.70 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 0.54 0.00 0.00 0.96 0.00 0.00 45 S 8.62 5.01 0.00 3.77 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 46 V 8.21 4.58 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 0.81 0.00 0.00 1.05 0.00 0.00 47 P 0.00 4.44 0.00 2.04 1.99 0.00 3.68 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 2.03 2.08 0.00 48 S 8.70 4.32 0.00 4.02 4.13 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 49 E 8.39 3.75 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 2.22 2.31 0.00 50 V 7.43 4.50 2.27 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 0.69 0.00 0.00 0.95 0.00 0.00 51 A 8.46 4.18 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 52 D 8.82 4.43 0.00 2.69 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 53 Q 7.65 4.45 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.94 0.00 0.00 0.00 0.00 0.00 2.21 2.40 0.00 54 P 0.00 5.18 0.00 2.17 2.07 0.00 4.08 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.10 0.00 *56 S 8.43 4.65 0.00 4.14 4.10 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 57 D 9.81 4.66 0.00 2.67 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 58 E 8.25 3.83 0.00 2.07 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 2.35 2.32 0.00 59 E 8.21 3.97 0.00 2.11 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 0.00 2.41 2.42 0.00 60 T 8.23 3.96 4.93 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 1.57 0.00 0.00 61 K 8.20 3.55 0.00 0.79 1.39 0.00 0.61 0.00 0.00 1.01 0.00 0.00 2.44 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.80 0.21 7.81 62 Q 8.33 3.98 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 63 G 8.23 3.66 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 149 I 7.70 3.66 1.82 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 1.53 0.70 0.79 0.00 0.00 150 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 0.00 151 L 7.53 3.69 0.00 1.29 0.80 0.44 0.27 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 0.00 152 L 7.89 4.06 0.00 1.55 1.71 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 153 T 7.69 4.35 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 1.23 0.00 0.00 154 R 8.46 3.86 0.00 1.87 1.98 0.00 3.28 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 155 H 8.27 4.19 0.00 3.23 3.38 0.00 5.66 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 H 7.92 4.37 0.00 3.26 3.34 0.00 5.60 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 L 7.98 4.88 0.00 1.63 1.46 0.91 0.54 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 0.00 158 T 8.07 4.84 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 159 R 8.39 3.53 0.00 1.60 1.70 0.00 2.73 0.00 0.00 2.95 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.50 0.00 160 S 7.80 4.03 0.00 4.04 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 0.00 161 T 7.94 3.95 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 1.17 0.00 0.00 162 V 7.81 3.72 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 1.12 0.00 0.00 0.98 0.00 0.00 163 Y 8.39 4.37 0.00 3.02 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 0.00 164 H 8.42 4.14 0.00 3.42 3.50 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 Q 7.79 3.92 0.00 2.32 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 166 A 7.69 3.95 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 0.00 167 L 7.95 3.88 0.00 1.77 1.66 1.01 1.18 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 0.00 168 I 7.62 3.66 1.87 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.70 0.78 0.00 0.00 169 L 8.06 3.95 0.00 1.79 1.67 0.87 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 170 A 8.32 4.16 1.40 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 0.00 0.00 171 L 7.66 4.56 0.00 1.84 1.62 0.41 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 172 I 7.42 3.57 1.80 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 1.47 1.03 0.62 0.00 0.00 173 P 0.00 3.45 0.00 1.12 1.62 0.00 3.44 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.26 0.00 174 F 7.63 4.54 0.00 3.35 3.35 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 0.00 175 I 7.95 4.17 2.04 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.66 0.94 0.00 0.00 176 N 8.32 5.45 0.00 3.09 2.98 0.00 0.00 6.76 7.32 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 0.00 177 P 0.00 4.41 0.00 2.28 2.42 0.00 3.90 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.11 0.00 178 E 8.34 3.95 0.00 1.87 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 2.35 2.39 0.00 179 H 8.16 4.67 0.00 3.16 2.93 0.00 5.60 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 Y 8.77 4.47 0.00 2.83 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 0.00 181 P 0.00 4.62 0.00 2.20 1.91 0.00 3.77 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 1.71 1.30 0.00 * Residues marked with a * may have inaccurate shift predictions.