NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 29 T 4.2721 8.1631 115.2464 61.9452 67.6919 173.7318 30 G 3.8396 8.1463 118.8736 44.7905 0.0000 169.0615 31 D 4.5868 8.7836 122.0725 57.3355 43.3735 177.3689 32 T 4.1061 7.7123 115.0574 66.4181 68.7135 174.3702 33 D 4.8727 7.7981 121.1122 51.4990 38.3184 174.9114 34 Q 4.6727 8.1825 121.8884 53.4672 32.7067 174.0133 35 P 4.2251 0.0000 0.0000 63.6808 31.4964 175.3996 36 I 4.3343 8.2896 123.0963 60.3181 38.6608 174.7834 37 H 4.7193 9.1888 125.0439 54.2513 30.7872 173.2073 38 I 4.6277 8.1728 125.2035 59.4991 38.3458 175.1447 39 E 4.8746 8.6613 126.0717 54.6310 32.1028 175.4819 40 S 4.9747 8.2867 116.3335 58.3690 65.5778 173.4649 41 D 4.6900 8.9233 119.1726 56.7199 41.3963 177.6125 42 Q 4.7664 8.0327 116.4470 54.1209 33.4097 174.2371 43 Q 4.7476 8.5476 119.6354 54.5595 32.0792 175.1287 44 S 4.2966 8.3965 115.4595 57.4200 65.4699 172.9073 45 L 4.7894 8.2726 129.0092 53.3515 44.5559 176.1848 46 D 4.7370 7.9113 118.0276 53.0680 41.9768 175.4532 47 M 3.8332 8.1272 123.4561 58.4572 32.6677 177.6619 48 Q 4.4112 7.7354 116.4786 56.4706 28.8519 177.7082 49 G 4.3329 9.6611 113.8550 44.4879 0.0000 172.8660 50 N 4.1384 8.8613 116.3150 54.8991 36.3550 174.9861 51 V 4.6487 7.1057 116.5709 60.9733 31.0693 174.9542 52 V 3.9883 8.1422 122.8606 62.7709 33.2268 174.8956 53 T 5.0491 8.7517 123.9373 61.7863 72.4811 172.8531 54 F 5.4969 9.7744 123.9570 55.9894 42.9030 174.2519 55 T 5.1898 8.3786 112.1770 59.4822 72.8410 173.6682 56 G 4.0932 8.6741 106.8720 44.2260 0.0000 173.4884 57 N 4.6349 8.5133 115.4235 53.2902 38.3712 173.7034 58 V 4.3672 8.5444 124.1074 62.1227 33.6552 174.8758 59 I 4.6532 8.9791 128.3287 59.6423 40.4165 173.9261 60 V 4.6064 8.4636 128.1853 60.5071 33.2249 175.1889 61 T 5.5064 8.7180 115.8676 58.7591 71.6469 172.6620 62 Q 4.6619 8.4980 127.0995 54.8794 31.6516 177.1622 63 G 3.8297 9.0593 120.2826 47.0961 0.0000 174.2153 64 T 4.3747 7.0749 119.0909 61.5972 70.2494 174.8602 65 I 3.8537 7.5174 124.9997 61.4846 38.1419 175.4319 66 K 4.6787 8.9811 128.0931 55.2065 34.4944 174.0973 67 I 4.6481 8.8519 128.7750 60.0271 39.1186 174.6751 68 N 5.5511 8.1579 123.2818 51.6932 42.1595 173.3719 69 A 4.5726 8.2464 121.8096 51.8802 22.7184 176.8350 70 D 4.6837 9.2055 119.2545 56.3953 42.6072 177.2540 71 K 5.1134 8.0790 119.1995 54.8078 35.9663 175.0349 72 V 4.9603 9.1445 127.3312 61.3328 34.1357 174.6194 73 V 5.1139 9.1519 127.1537 59.4723 32.2005 172.9052 74 V 4.2626 8.1603 123.6318 61.5278 32.9111 175.5371 75 T 4.9929 8.9435 119.5144 60.1044 71.3079 172.5701 76 R 5.0014 8.0787 125.5364 53.0263 31.6000 173.2505 77 P 4.5397 0.0000 0.0000 65.0400 33.0261 177.7357 78 G 4.0443 7.9061 101.1002 45.4688 0.0000 174.9063 79 G 4.0410 8.8172 111.6879 44.8659 0.0000 173.4531 *83 K 4.3078 7.8771 117.2915 54.6303 35.1626 177.6060 84 E 4.8390 8.0947 119.9533 55.5875 32.5698 175.5042 85 V 4.2922 8.9395 122.9640 61.1177 34.3510 174.1230 86 I 4.3433 8.4181 130.1305 60.7902 38.3814 174.9627 87 D 5.0612 7.9781 126.6328 51.4677 43.8033 175.5750 88 G 4.1316 8.3376 110.9271 45.4589 0.0000 171.3747 89 Y 5.1473 8.4369 117.7867 55.9471 42.7861 174.7482 90 G 4.2071 7.9400 111.1773 46.7310 0.0000 173.3302 91 K 4.9428 8.3774 119.6477 51.9698 32.0278 172.1189 92 P 5.2269 0.0000 0.0000 60.5156 34.5705 176.0578 93 A 4.8719 9.2162 121.8870 51.1611 20.7739 176.5187 94 T 5.2415 8.9775 110.1664 59.9804 72.6004 172.7368 95 F 4.9380 9.1651 123.4780 56.9511 43.3206 172.6286 96 Y 5.4790 7.3867 123.5018 56.5386 42.6489 173.1487 97 Q 5.0132 7.4749 123.7858 55.9359 32.8608 172.3085 98 M 4.4972 8.4493 125.3470 54.1662 33.0905 175.9637 99 Q 4.2633 8.3121 125.0632 55.5127 29.7493 176.9220 100 D 4.3803 8.8737 120.6967 57.8504 40.8324 177.9933 101 N 4.4707 8.0041 112.7429 53.4666 37.5195 175.7665 102 G 3.8929 8.5080 110.9865 45.7408 0.0000 174.2081 103 K 4.4349 7.6206 121.3421 52.2841 32.8679 180.1412 104 P 4.4462 0.0000 0.0000 61.6653 32.8926 175.6216 105 V 4.4668 8.2789 121.0105 61.2771 33.7961 174.0524 106 E 5.2860 8.9509 127.5960 54.8219 32.4387 175.3917 107 G 4.8386 9.3722 110.0326 45.6374 0.0000 170.7120 108 H 5.5543 9.2911 113.5396 54.9923 32.3339 172.7654 109 A 5.2858 8.6127 120.8455 52.6360 22.5426 176.7267 110 S 4.6655 9.0642 113.2826 60.7453 64.1629 174.7260 111 Q 4.7175 7.8850 119.5683 55.0903 32.5539 173.2770 112 M 4.5506 8.4640 125.5514 54.7988 34.6062 175.0823 113 H 5.1500 8.3823 119.6881 54.5333 31.8802 169.6285 114 Y 4.9789 9.1421 124.3972 56.0932 40.1134 173.6690 115 E 4.7642 9.2988 128.3704 55.0487 30.0738 177.7881 116 L 3.8814 8.5415 125.8243 57.0727 42.0761 179.5123 117 A 4.1060 8.0863 120.7501 54.2653 18.3566 177.9050 118 K 4.4858 7.8427 111.1981 55.2511 34.3615 175.3190 119 D 4.6578 7.9176 117.6220 55.8178 38.8271 173.4477 120 F 5.3794 8.7948 120.6204 56.5862 42.6198 174.3131 121 V 4.5034 8.4466 126.4631 61.1098 34.1939 174.9761 122 V 4.4512 7.9421 125.3768 61.2133 34.3456 173.7796 123 L 4.8013 8.8562 130.0103 53.8384 42.5680 176.2373 124 T 4.8941 8.2493 113.9267 60.6760 72.6373 169.9565 125 G 3.6245 8.9444 119.9104 45.7459 0.0000 173.3221 126 N 4.2659 8.5349 125.1784 53.8085 36.2848 173.9550 127 A 4.7083 7.7866 120.5062 51.8111 21.0569 177.7130 128 Y 5.0275 8.7508 122.1415 56.4337 42.3065 173.5520 129 L 4.9210 8.1965 128.2451 53.4828 46.1616 175.3252 130 Q 4.3741 8.2313 123.4186 55.5447 31.7222 174.3003 131 Q 4.5098 8.6108 127.4355 54.2616 30.5618 176.6777 132 V 3.7370 8.0564 118.2984 64.9102 31.2454 177.2403 133 D 4.5063 7.9663 118.7828 54.6476 40.3239 176.1999 134 S 5.0626 7.5941 116.0662 56.0164 65.9150 172.2886 135 N 5.0171 8.4626 118.3304 51.5393 40.0940 173.5963 136 I 4.6023 7.9425 126.8498 60.8483 39.8240 176.0903 137 K 4.8951 8.8100 127.8801 54.3676 35.7239 174.9003 138 G 3.8967 8.8468 115.8352 45.3102 0.0000 172.8963 139 D 4.7797 9.5535 118.8644 55.2205 43.6856 176.7238 140 K 4.9008 8.0557 119.8811 54.6775 35.3654 174.5815 141 I 5.0683 9.1598 129.4120 59.8724 39.3728 174.9603 142 T 4.8225 9.0107 118.1370 60.4783 71.7862 173.6986 143 Y 4.9966 8.3610 124.8743 56.4183 42.1848 173.8150 144 L 4.8754 9.0797 131.3065 54.3144 42.2723 177.6360 145 V 3.9754 9.1505 131.0248 66.4721 31.9258 178.4022 146 K 4.2483 8.2726 120.2884 57.7461 31.7245 180.7605 147 E 4.1115 8.2211 117.7998 57.1217 30.1477 176.0356 148 Q 3.5322 8.0036 116.0707 56.0759 25.6822 172.6742 149 K 4.5823 7.5005 116.9447 54.8642 36.6004 176.5491 150 M 5.1137 8.5780 123.7270 53.8272 35.1397 175.3154 151 Q 4.4326 8.9443 118.7610 54.3336 33.4640 173.9175 152 A 5.1647 8.0726 124.1240 50.2931 22.2236 175.0838 153 F 5.0932 8.7561 117.1078 56.1024 44.1007 173.7748 154 S 5.1728 8.5549 113.5978 56.6404 66.2910 173.4760 155 D 4.4476 9.5928 124.7423 54.4564 41.1079 176.0847 156 K 4.2071 8.6796 126.4257 55.1973 30.2722 172.4712 157 G 3.5060 7.9877 121.6600 45.0936 0.0000 171.5556 158 K 4.6135 8.5527 125.8054 53.4937 34.4522 181.1212 159 R 4.7967 7.9167 112.4683 56.1424 33.1937 171.2553 160 V 4.3503 8.1484 119.3804 62.8811 32.8158 175.3766 161 T 4.8394 8.9489 122.8298 62.2408 72.3860 173.1052 162 T 5.4562 8.2992 119.5578 61.3529 72.7675 173.3889 163 V 4.6188 8.3745 116.4613 59.6591 36.0301 174.0462 164 L 5.1314 8.4499 123.0711 53.9428 45.8356 176.3830 165 V 4.6928 8.0305 117.7302 59.1742 36.1562 172.3743 166 P 4.4119 0.0000 0.0000 63.9473 31.5179 176.1123 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 29 T 8.16 4.27 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 1.38 0.00 0.00 30 G 8.15 3.84 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 0.00 0.00 0.00 31 D 8.78 4.59 0.00 2.69 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 32 T 7.71 4.11 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 1.38 0.00 0.00 33 D 7.80 4.87 0.00 2.78 2.70 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 34 Q 8.18 4.67 0.00 2.25 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.78 0.00 0.00 0.00 0.00 0.00 2.48 2.41 0.00 35 P 0.00 4.23 0.00 2.33 2.13 0.00 3.77 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 36 I 8.29 4.33 1.85 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.72 0.89 0.00 0.00 37 H 9.19 4.72 0.00 3.01 3.20 0.00 5.62 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 38 I 8.17 4.63 1.03 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.31 -0.25 0.00 0.00 39 E 8.66 4.87 0.00 2.03 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 2.16 2.22 0.00 40 S 8.29 4.97 0.00 4.19 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 41 D 8.92 4.69 0.00 2.75 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 Q 8.03 4.77 0.00 1.93 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.70 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 43 Q 8.55 4.75 0.00 1.38 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.74 0.00 0.00 0.00 0.00 0.00 2.11 2.23 0.00 44 S 8.40 4.30 0.00 3.80 3.60 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 45 L 8.27 4.79 0.00 1.77 1.48 0.93 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 46 D 7.91 4.74 0.00 2.73 2.46 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 47 M 8.13 3.83 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.14 0.00 48 Q 7.74 4.41 0.00 2.05 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.18 0.00 0.00 0.00 0.00 0.00 2.19 1.90 0.00 49 G 9.66 4.33 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 0.00 50 N 8.86 4.14 0.00 2.94 2.86 0.00 0.00 6.36 7.58 0.00 0.00 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 V 7.11 4.65 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 0.80 0.00 0.00 1.02 0.00 0.00 52 V 8.14 3.99 2.18 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 0.73 0.00 0.00 0.94 0.00 0.00 53 T 8.75 5.05 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 1.18 0.00 0.00 54 F 9.77 5.50 0.00 2.96 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 55 T 8.38 5.19 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 1.23 0.00 0.00 56 G 8.67 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 57 N 8.51 4.63 0.00 2.71 2.81 0.00 0.00 6.48 7.68 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 58 V 8.54 4.37 2.21 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 0.93 0.00 0.00 1.17 0.00 0.00 59 I 8.98 4.65 1.83 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 1.43 0.75 0.92 0.00 0.00 60 V 8.46 4.61 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 0.89 0.00 0.00 0.90 0.00 0.00 61 T 8.72 5.51 4.18 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 1.15 0.00 0.00 62 Q 8.50 4.66 0.00 2.17 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 5.89 0.00 0.00 0.00 0.00 0.00 2.35 2.62 0.00 63 G 9.06 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 64 T 7.07 4.37 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 1.24 0.00 0.00 65 I 7.52 3.85 1.90 0.00 0.00 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 0.92 0.56 0.58 0.00 0.00 66 K 8.98 4.68 0.00 1.65 1.56 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.23 1.31 7.81 67 I 8.85 4.65 1.88 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.45 0.96 0.00 0.00 68 N 8.16 5.55 0.00 2.58 2.68 0.00 0.00 6.47 7.67 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 69 A 8.25 4.57 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 70 D 9.21 4.68 0.00 2.79 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 71 K 8.08 5.11 0.00 1.85 1.73 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.60 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.48 1.78 7.81 72 V 9.14 4.96 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 0.92 0.00 0.00 0.96 0.00 0.00 73 V 9.15 5.11 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 1.04 0.00 0.00 1.06 0.00 0.00 74 V 8.16 4.26 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 0.95 0.00 0.00 0.95 0.00 0.00 75 T 8.94 4.99 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 1.28 0.00 0.00 76 R 8.08 5.00 0.00 1.85 1.79 0.00 3.17 0.00 0.00 3.07 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 77 P 0.00 4.54 0.00 2.09 2.11 0.00 3.97 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 78 G 7.91 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 0.00 0.00 0.00 79 G 8.82 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 0.00 0.00 0.00 *83 K 7.88 4.31 0.00 1.49 1.83 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.77 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.05 7.81 84 E 8.09 4.84 0.00 1.85 1.82 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 2.27 2.31 0.00 85 V 8.94 4.29 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 0.93 0.00 0.00 0.94 0.00 0.00 86 I 8.42 4.34 1.86 0.00 0.00 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 1.17 0.28 0.93 0.00 0.00 87 D 7.98 5.06 0.00 2.51 2.34 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 88 G 8.34 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 0.00 0.00 0.00 89 Y 8.44 5.15 0.00 2.92 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 90 G 7.94 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 0.00 0.00 0.00 0.00 91 K 8.38 4.94 0.00 1.73 1.58 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.24 0.95 7.81 92 P 0.00 5.23 0.00 2.19 2.15 0.00 3.34 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.74 0.00 93 A 9.22 4.87 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 94 T 8.98 5.24 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 1.26 0.00 0.00 95 F 9.17 4.94 0.00 3.11 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 96 Y 7.39 5.48 0.00 3.06 2.62 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 97 Q 7.47 5.01 0.00 1.87 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.73 0.00 0.00 0.00 0.00 0.00 2.28 2.09 0.00 98 M 8.45 4.50 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.65 0.00 99 Q 8.31 4.26 0.00 2.44 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.21 6.48 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 100 D 8.87 4.38 0.00 2.64 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 0.00 101 N 8.00 4.47 0.00 2.82 2.92 0.00 0.00 6.22 7.00 0.00 0.00 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 G 8.51 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 0.00 103 K 7.62 4.43 0.00 1.73 1.70 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.31 1.23 7.81 104 P 0.00 4.45 0.00 1.64 1.87 0.00 3.68 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 1.97 2.03 0.00 105 V 8.28 4.47 2.14 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 1.04 0.00 0.00 0.88 0.00 0.00 106 E 8.95 5.29 0.00 2.07 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 2.49 2.28 0.00 107 G 9.37 4.84 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 0.00 0.00 0.00 108 H 9.29 5.55 0.00 3.35 3.47 0.00 5.31 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 0.00 109 A 8.61 5.29 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 0.00 110 S 9.06 4.67 0.00 3.97 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 0.00 111 Q 7.89 4.72 0.00 2.12 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.21 2.16 0.00 112 M 8.46 4.55 0.00 2.09 1.91 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.62 0.00 113 H 8.38 5.15 0.00 3.23 3.05 0.00 5.81 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 Y 9.14 4.98 0.00 2.99 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 0.00 115 E 9.30 4.76 0.00 2.27 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 2.39 2.54 0.00 116 L 8.54 3.88 0.00 1.67 1.58 0.74 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 117 A 8.09 4.11 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 0.00 118 K 7.84 4.49 0.00 2.07 1.82 0.00 2.02 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.32 0.98 7.81 119 D 7.92 4.66 0.00 2.99 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 0.00 120 F 8.79 5.38 0.00 3.04 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 0.00 121 V 8.45 4.50 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 0.50 0.00 0.00 0.34 0.00 0.00 122 V 7.94 4.45 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 0.85 0.00 0.00 0.56 0.00 0.00 123 L 8.86 4.80 0.00 1.54 1.52 0.78 -0.04 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 0.00 124 T 8.25 4.89 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 1.20 0.00 0.00 125 G 8.94 3.62 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 0.00 126 N 8.53 4.27 0.00 3.00 2.87 0.00 0.00 6.94 7.27 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 0.00 127 A 7.79 4.71 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 0.00 128 Y 8.75 5.03 0.00 2.95 2.38 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 0.00 129 L 8.20 4.92 0.00 1.57 1.20 0.84 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 130 Q 8.23 4.37 0.00 1.96 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.48 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 131 Q 8.61 4.51 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.72 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 132 V 8.06 3.74 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 0.68 0.00 0.00 0.93 0.00 0.00 133 D 7.97 4.51 0.00 2.76 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 0.00 134 S 7.59 5.06 0.00 3.83 3.96 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 0.00 0.00 0.00 135 N 8.46 5.02 0.00 2.52 2.86 0.00 0.00 7.16 8.15 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 0.00 136 I 7.94 4.60 1.71 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 1.09 0.61 0.87 0.00 0.00 137 K 8.81 4.90 0.00 1.41 1.62 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.76 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.27 1.27 7.81 138 G 8.85 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 0.00 139 D 9.55 4.78 0.00 2.79 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 0.00 140 K 8.06 4.90 0.00 1.82 1.78 0.00 1.59 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.44 7.81 141 I 9.16 5.07 1.79 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.57 0.81 0.00 0.00 142 T 9.01 4.82 4.35 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 1.52 0.00 0.00 143 Y 8.36 5.00 0.00 2.74 2.41 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 0.00 144 L 9.08 4.88 0.00 2.02 1.75 1.12 0.92 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 0.00 145 V 9.15 3.98 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 0.70 0.00 0.00 0.38 0.00 0.00 146 K 8.27 4.25 0.00 1.82 1.71 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 1.03 7.81 147 E 8.22 4.11 0.00 2.00 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 0.00 2.34 2.42 0.00 148 Q 8.00 3.53 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 149 K 7.50 4.58 0.00 1.79 1.65 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.80 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.41 1.01 7.81 150 M 8.58 5.11 0.00 1.69 1.74 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.15 0.00 151 Q 8.94 4.43 0.00 2.04 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.71 0.00 0.00 0.00 0.00 0.00 2.18 2.34 0.00 152 A 8.07 5.16 1.03 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 0.00 0.00 153 F 8.76 5.09 0.00 2.95 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 0.00 154 S 8.55 5.17 0.00 3.84 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 0.00 155 D 9.59 4.45 0.00 2.73 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 0.00 156 K 8.68 4.21 0.00 1.77 1.67 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.03 7.81 157 G 7.99 3.51 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 0.00 158 K 8.55 4.61 0.00 1.64 1.62 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.29 1.22 7.81 159 R 7.92 4.80 0.00 1.76 1.65 0.00 3.22 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.17 0.00 160 V 8.15 4.35 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 0.93 0.00 0.00 0.90 0.00 0.00 161 T 8.95 4.84 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 1.23 0.00 0.00 162 T 8.30 5.46 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 1.20 0.00 0.00 163 V 8.37 4.62 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 0.99 0.00 0.00 0.97 0.00 0.00 164 L 8.45 5.13 0.00 1.43 1.52 0.89 0.75 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 0.00 165 V 8.03 4.69 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 0.78 0.00 0.00 0.93 0.00 0.00 166 P 0.00 4.41 0.00 2.14 2.05 0.00 3.49 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.06 0.00 * Residues marked with a * may have inaccurate shift predictions.