NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 4.0004 8.2127 109.8054 45.6209 0.0000 175.8281 3 N 4.3382 9.0977 124.1991 54.2747 38.5163 173.8238 4 I 3.8948 8.5478 115.3251 63.8646 37.6404 177.2133 5 F 4.4909 8.0008 118.4576 59.5920 38.9445 177.6761 6 A 4.2268 7.5731 118.6571 55.1308 18.4782 179.0308 7 N 4.4571 8.8682 115.3496 56.5789 38.2161 177.1646 8 L 3.6980 7.4720 119.9823 58.1063 41.7996 179.3235 9 F 4.2731 7.9325 114.4829 58.1255 38.9401 177.5495 10 K 2.0000 8.0107 120.4356 58.2104 32.0333 178.2427 11 G 3.6651 7.0772 104.1880 45.9916 0.0000 174.1004 12 L 4.5069 6.9488 119.6715 54.5283 41.9222 176.6817 13 F 5.6662 7.1752 117.4686 55.7707 39.6843 175.2766 14 G 4.1368 8.3451 115.6350 44.8951 0.0000 172.2373 15 K 3.9676 8.4314 121.3576 57.2604 31.2007 176.0511 16 K 4.3744 7.7576 126.6106 56.3336 33.8808 173.9931 17 E 4.5512 8.7437 124.2557 55.3818 30.1233 174.9346 18 M 4.6124 8.9767 127.7869 54.2803 34.6649 175.4998 19 R 5.0207 8.2897 120.0480 54.7262 34.3586 173.8821 20 I 4.8329 8.3209 125.7778 59.4109 40.4547 174.4249 21 L 4.4856 8.4751 128.5554 54.1694 43.1715 175.9246 22 M 4.9341 8.8846 124.3546 54.0611 34.4875 174.6602 23 V 4.5638 8.0160 118.5838 57.6037 35.9136 175.1227 24 G 3.6539 7.5496 109.4817 45.7321 0.0000 171.8196 25 L 5.0344 8.2518 120.4173 53.4871 42.6453 177.1436 26 D 4.2955 8.5195 119.8267 54.6884 39.8379 176.0509 27 A 3.6746 8.7219 122.9619 53.1402 15.7836 178.8055 28 A 4.0506 7.9019 123.3023 54.9138 19.0771 179.1900 29 G 4.1091 8.3702 104.4958 45.7512 0.0000 176.0129 30 K 3.9524 8.3016 121.9522 59.6200 32.0550 179.3534 31 T 3.9764 7.7801 115.4297 66.6015 68.4182 176.9983 32 T 3.9561 7.7588 117.5644 66.4822 68.4172 176.7633 33 I 3.5781 7.6281 121.6034 64.2242 36.9039 178.4590 34 L 3.7759 7.4183 118.1285 57.9868 41.9043 178.7080 35 Y 4.2141 8.0892 119.3670 60.6059 38.4591 178.1978 36 K 3.9636 7.8370 118.6908 59.1074 32.1207 179.0168 37 L 3.1811 7.1513 118.8978 54.9265 42.1935 177.1948 38 K 3.6130 7.0297 115.3324 57.4199 29.8221 175.5671 39 L 4.0115 8.4452 115.8144 54.4825 42.6932 177.8364 40 G 4.0037 7.4150 104.8064 44.1869 0.0000 171.6603 41 E 4.0096 8.2146 120.1133 56.4406 29.7521 176.7221 42 I 4.3356 8.3594 125.0526 60.7965 38.0971 175.4632 43 V 4.4653 8.4357 121.0182 59.8050 34.1458 175.2116 44 T 5.1115 8.4904 121.5900 62.4801 70.3860 174.0347 45 T 4.6895 8.4730 113.5962 60.4035 73.0321 172.9625 46 I 5.1911 8.0643 122.7431 57.9141 38.1272 173.5419 47 P 4.5029 0.0000 0.0000 65.2788 31.7905 177.4560 48 T 4.7604 7.7634 112.4003 61.3269 72.5358 173.1071 49 I 3.7429 8.4399 124.6453 63.5280 37.3939 176.2830 50 G 3.8853 9.0943 112.3255 45.9537 0.0000 173.3472 51 F 4.9389 8.4556 122.8637 55.9721 39.7989 172.1743 52 N 5.0436 8.4572 123.7582 51.8165 39.8726 174.5472 53 V 4.4123 8.3643 123.8582 61.0272 34.5691 173.9110 54 E 5.1130 9.1887 127.7230 55.2139 32.2220 175.2324 55 T 5.7883 8.5575 118.5130 60.9235 73.4279 172.9612 56 V 4.6300 8.5709 124.5982 61.2214 34.4289 173.6459 57 E 4.9048 8.9313 127.6787 55.4608 30.3917 175.0660 58 Y 4.8707 9.5535 126.9626 59.2958 41.1641 175.4427 59 K 4.3953 8.0431 117.3876 56.6847 37.2115 176.8087 60 N 4.5697 9.1418 130.8802 54.6496 39.6629 175.5844 61 I 4.6293 7.7030 121.9794 60.3324 39.0832 174.4962 62 S 5.1227 8.7324 123.7735 56.8535 65.5678 173.5378 63 F 4.8448 9.8612 125.1850 56.4932 39.8486 174.4420 64 T 4.9379 8.4483 121.6207 62.0212 70.2613 174.4228 65 V 4.9402 9.1210 126.0286 59.8758 35.2674 174.0986 66 W 5.0356 7.6825 120.4861 55.6297 30.8299 173.4641 67 D 5.0698 8.9706 121.7063 54.2890 41.5188 175.9415 68 V 4.6133 8.4745 119.2979 61.2384 34.9698 172.4729 69 G 4.0934 10.5309 116.4139 45.8781 0.0000 172.4210 70 G 4.0456 8.2415 111.4244 45.8924 0.0000 170.8031 *74 I 3.4383 7.3270 117.4556 61.3852 38.9827 173.8006 75 R 3.9075 6.5110 114.6896 53.5608 32.5578 174.6878 76 P 4.1411 0.0000 0.0000 65.6640 31.1987 178.6262 77 L 3.8377 7.7475 118.5649 58.2475 41.6490 178.9762 78 W 3.9524 7.4802 117.9480 59.7346 28.8714 178.2796 79 R 3.9277 8.0349 117.9337 59.6533 29.2973 178.3101 80 H 4.0914 7.7074 116.5373 59.5906 28.8273 176.5962 81 Y 4.0618 7.9229 117.7265 61.2713 37.9064 178.1571 82 F 4.9019 8.2104 118.6958 60.9720 38.7242 177.4609 83 Q 4.2449 7.7416 112.9743 56.7106 28.1984 176.2361 84 N 4.9108 8.2541 116.3745 53.4524 41.9793 174.3947 85 T 4.1926 7.4417 112.1006 64.4583 68.6214 173.8064 86 Q 4.2862 9.0804 127.2334 57.7597 30.3364 176.6189 87 G 4.4628 7.8932 104.1627 44.2152 0.0000 171.2005 88 L 5.3025 9.2625 124.4434 52.9960 45.2784 175.1444 89 I 4.9708 9.0967 126.5162 59.5963 40.7046 174.4918 90 F 5.0654 9.5269 127.8701 56.4936 42.0648 173.7403 91 V 4.8712 8.0278 126.3216 60.6293 32.4301 175.7139 92 V 4.4509 8.9825 123.6569 61.2035 35.0469 174.2562 93 D 4.6072 8.6243 126.4851 52.9935 40.5510 176.5279 94 S 4.0969 8.7586 122.7650 61.3805 63.1465 176.4855 95 N 4.4769 8.0443 116.3389 55.0261 39.2794 174.9393 96 D 4.6853 8.0843 119.2903 53.1752 39.6608 176.5639 97 R 4.1257 8.0684 122.7940 58.0363 30.7342 177.9187 98 E 4.1002 7.8614 117.4781 58.2401 29.9478 177.4274 99 R 4.6624 7.7475 114.9054 55.9717 30.7455 178.2102 100 V 3.7929 7.7733 114.6858 64.3203 31.3506 178.0473 101 N 4.3395 8.1385 116.0407 56.0503 38.3647 177.1342 102 E 4.0005 8.0539 119.5517 59.1658 29.7154 178.5366 103 A 4.2772 7.9857 120.9176 55.4665 18.4399 179.6091 104 R 3.6424 8.2409 117.0959 59.5223 30.0910 178.3430 105 E 3.9167 7.8273 118.1897 59.6393 29.4836 179.2181 106 E 4.1033 8.3780 118.2489 59.3693 29.5697 179.0030 107 L 3.5987 7.9440 120.3719 58.6503 41.8841 179.1141 108 M 3.9707 8.3979 118.6006 58.2981 31.6013 178.7652 109 R 4.0123 8.1757 118.5671 59.0633 30.5325 177.9210 110 M 4.2392 8.3849 118.7891 58.4978 32.1674 178.2002 111 L 4.0373 7.9235 117.7338 57.3313 41.7944 178.4579 112 A 4.3380 7.5057 117.9653 51.5440 18.8208 176.5942 113 E 4.4488 7.5233 119.1983 55.1329 30.6764 177.1062 114 D 4.4497 8.2105 123.1314 57.6181 41.0460 177.9961 115 E 4.2699 8.2269 116.1725 57.8747 29.8785 176.9528 116 L 4.6554 7.5494 118.3266 54.4892 42.0474 177.8160 117 R 4.1345 8.1072 121.7497 58.5283 30.2928 176.4563 118 D 4.9324 7.9614 116.5911 53.9094 41.6072 175.3242 119 A 5.4658 7.7370 119.8467 49.3626 21.4255 177.7428 120 V 3.9977 8.3537 122.1414 62.7767 33.2852 174.2952 121 L 5.2276 9.0130 129.8707 53.5983 44.3801 174.7569 122 L 5.1317 9.0202 127.4296 53.4380 45.4036 174.8381 123 V 4.7464 9.1168 127.2084 61.4265 33.6667 174.2606 124 F 5.3475 9.3204 127.6022 56.2892 40.6211 175.5098 125 A 4.7205 8.8907 129.0483 50.6248 17.7040 175.6952 126 N 4.9955 8.4679 120.8227 52.1460 41.5463 174.4098 127 K 4.3096 8.5878 116.6858 57.4931 29.2473 178.1474 128 Q 4.0904 8.0078 121.8885 58.5889 29.0958 176.7384 129 D 4.5158 7.9351 115.7324 54.8922 40.3229 176.3631 130 L 4.2285 7.9435 122.0885 53.7641 42.4051 175.7354 131 P 4.2009 0.0000 0.0000 65.5515 31.7112 177.4791 132 N 4.9248 7.8833 112.6007 52.2082 38.6790 174.6435 133 A 4.5662 7.6281 119.3938 50.8646 20.2450 179.0674 134 M 4.4471 8.3699 122.6014 55.6637 33.1371 175.8726 135 N 4.8843 8.5435 118.1485 51.3987 40.0354 175.7122 136 A 4.0170 8.7317 120.3037 55.1041 18.0291 179.6117 137 A 4.0757 7.9109 118.9429 54.8206 18.7476 179.5261 138 E 3.8898 8.6237 117.4637 59.7192 29.5354 179.5401 139 I 3.6964 7.7553 119.7423 64.7510 37.0859 178.5620 140 T 3.6903 7.8160 116.4170 66.6432 68.2202 176.4081 141 D 4.2650 7.8583 120.6069 57.4151 40.7700 178.7279 142 K 3.9085 8.1344 118.0209 59.6233 32.2175 178.8041 143 L 4.1324 8.1579 117.0272 54.3404 42.3030 176.8423 144 G 3.8997 8.3301 108.2429 46.4668 0.0000 175.6757 145 L 3.4082 7.7887 120.1378 57.0032 41.8662 179.2260 146 H 4.6504 7.8842 113.8660 57.0079 28.7162 175.7028 147 S 4.5934 7.3638 113.4377 58.5168 64.3079 175.2377 148 L 4.2790 7.3637 123.2847 54.1025 39.1736 178.1981 149 R 4.4911 7.3708 115.2234 54.7962 29.0725 175.3858 150 H 4.9116 7.8094 134.2592 56.6460 31.6482 174.5097 151 R 4.6304 7.8946 113.3971 53.7408 32.2560 175.0163 152 N 4.7933 8.6498 118.2137 53.3419 39.1000 173.4693 153 W 5.7481 7.9290 122.1908 54.0034 31.8696 173.8561 154 Y 4.1531 7.9297 116.6420 56.6721 41.1258 172.0006 155 I 4.6983 7.4479 125.1905 59.0182 40.7268 173.9841 156 Q 4.5117 8.8181 130.3821 54.0513 31.3424 174.2016 157 A 4.8637 8.6017 128.3477 52.1386 20.5991 176.1934 158 T 5.0465 8.5602 110.2249 60.3568 73.4563 172.6033 159 C 4.4695 8.3327 120.9659 58.4649 32.6224 174.2081 160 A 4.1274 9.4517 131.1213 54.9776 18.4216 179.2079 161 T 4.0745 7.8819 105.6564 64.6266 69.1768 176.0715 162 S 4.1955 7.9747 115.3637 58.7463 63.9616 175.1398 163 G 3.9676 8.8819 110.0612 44.8591 0.0000 172.8451 164 D 4.6555 7.5587 119.6058 54.2204 40.4539 177.4388 165 G 4.5672 9.1745 109.2274 46.4447 0.0000 175.7121 166 L 4.0572 7.7270 119.0166 57.8097 41.5403 178.7187 167 Y 4.2216 8.2672 119.0423 60.8987 38.9198 177.4097 168 E 4.2430 8.6346 119.2420 59.6207 29.7837 179.5773 169 G 3.9858 8.5862 105.7460 47.7623 0.0000 175.5414 170 L 4.4421 8.4176 120.5385 56.5229 41.7066 178.9508 171 D 3.9193 8.3102 119.2314 56.9332 41.1625 177.3790 172 W 3.9938 7.8799 128.4616 60.6770 30.5812 177.3463 173 L 3.6435 8.1836 119.4215 58.3516 41.5079 179.0432 174 S 3.9642 8.0129 112.7691 61.2356 62.0157 175.8430 175 N 4.0856 7.8497 118.5098 56.2978 38.5383 176.8502 176 Q 3.7758 7.5799 119.6357 59.0838 28.6656 179.3702 177 L 3.9093 7.6482 119.6327 57.6897 41.4007 179.3438 178 R 3.9178 7.6487 118.1093 58.5774 29.7805 176.5232 179 N 4.9807 7.4902 113.2167 52.4148 38.2431 175.4999 180 Q 3.9795 8.3964 121.4325 59.0045 29.3602 175.7933 181 K 4.1303 7.6301 121.4699 56.5107 32.5866 175.3927 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 2 G 8.21 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 3 N 9.10 4.34 0.00 2.96 2.82 0.00 0.00 6.63 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 4 I 8.55 3.89 1.46 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 -0.36 0.67 0.00 0.00 5 F 8.00 4.49 0.00 3.30 3.29 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 6 A 7.57 4.23 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 7 N 8.87 4.46 0.00 2.89 2.89 0.00 0.00 7.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 7.47 3.70 0.00 1.62 0.89 0.45 0.65 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 9 F 7.93 4.27 0.00 3.57 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 10 K 8.01 2.00 0.00 1.89 1.71 0.00 1.94 0.00 0.00 1.79 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.74 7.81 11 G 7.08 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 12 L 6.95 4.51 0.00 1.89 1.81 0.90 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 13 F 7.18 5.67 0.00 2.99 2.83 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 14 G 8.35 4.14 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 0.00 0.00 0.00 15 K 8.43 3.97 0.00 1.72 1.79 0.00 1.88 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.43 7.81 16 K 7.76 4.37 0.00 1.92 1.79 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.26 1.22 7.81 17 E 8.74 4.55 0.00 1.97 1.92 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 2.22 2.39 0.00 18 M 8.98 4.61 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.49 0.00 19 R 8.29 5.02 0.00 1.90 1.87 0.00 3.38 0.00 0.00 3.44 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 20 I 8.32 4.83 1.02 0.00 0.00 0.50 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 0.30 0.80 0.00 0.00 21 L 8.48 4.49 0.00 1.53 1.36 1.03 -0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 22 M 8.88 4.93 0.00 2.00 1.97 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 2.46 2.42 0.00 23 V 8.02 4.56 1.72 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 -0.11 0.00 0.00 0.82 0.00 0.00 24 G 7.55 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 25 L 8.25 5.03 0.00 1.53 1.66 1.08 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.52 4.30 0.00 2.80 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 27 A 8.72 3.67 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.90 4.05 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 29 G 8.37 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.30 3.95 0.00 1.75 1.80 0.00 1.68 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.44 7.81 31 T 7.78 3.98 4.20 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 0.00 0.00 0.00 1.15 0.00 0.00 32 T 7.76 3.96 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 1.19 0.00 0.00 33 I 7.63 3.58 1.94 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.80 0.81 0.00 0.00 34 L 7.42 3.78 0.00 1.79 1.67 0.91 0.66 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 35 Y 8.09 4.21 0.00 3.06 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 36 K 7.84 3.96 0.00 1.86 1.68 0.00 1.75 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.77 7.81 37 L 7.15 3.18 0.00 1.13 1.24 0.27 0.04 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 38 K 7.03 3.61 0.00 1.87 1.74 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.74 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.06 1.24 7.81 39 L 8.45 4.01 0.00 1.26 1.41 0.73 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.42 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 41 E 8.21 4.01 0.00 2.00 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 2.34 2.36 0.00 42 I 8.36 4.34 1.89 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.58 0.91 0.00 0.00 43 V 8.44 4.47 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 0.93 0.00 0.00 0.95 0.00 0.00 44 T 8.49 5.11 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 1.18 0.00 0.00 45 T 8.47 4.69 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 1.23 0.00 0.00 46 I 8.06 5.19 1.88 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 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4.30 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 1.30 0.00 0.00 56 V 8.57 4.63 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 1.01 0.00 0.00 0.95 0.00 0.00 57 E 8.93 4.90 0.00 1.94 1.91 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 2.30 2.34 0.00 58 Y 9.55 4.87 0.00 2.98 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 59 K 8.04 4.40 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.71 0.00 0.00 2.72 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.74 0.21 7.81 60 N 9.14 4.57 0.00 3.11 3.00 0.00 0.00 5.88 7.82 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 61 I 7.70 4.63 2.08 0.00 0.00 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 1.49 0.96 0.65 0.00 0.00 62 S 8.73 5.12 0.00 3.93 3.79 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 63 F 9.86 4.84 0.00 3.06 2.98 0.00 0.00 0.00 0.00 0.00 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0.00 1.03 1.10 0.78 0.00 0.00 75 R 6.51 3.91 0.00 0.67 0.66 0.00 2.41 0.00 0.00 2.50 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.02 0.00 76 P 0.00 4.14 0.00 2.04 1.97 0.00 3.35 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.98 0.00 77 L 7.75 3.84 0.00 1.61 1.40 0.99 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 78 W 7.48 3.95 0.00 3.45 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 79 R 8.03 3.93 0.00 1.90 2.16 0.00 3.19 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.93 0.00 80 H 7.71 4.09 0.00 3.07 3.58 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 Y 7.92 4.06 0.00 3.42 3.32 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 82 F 8.21 4.90 0.00 3.38 3.13 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 83 Q 7.74 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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 A 8.89 4.72 1.27 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 0.00 0.00 0.00 126 N 8.47 5.00 0.00 2.87 2.85 0.00 0.00 7.07 5.86 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 0.00 127 K 8.59 4.31 0.00 2.02 1.88 0.00 2.05 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.39 7.81 128 Q 8.01 4.09 0.00 2.25 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.97 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 129 D 7.94 4.52 0.00 2.82 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 0.00 130 L 7.94 4.23 0.00 1.85 1.71 1.01 1.03 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 0.00 131 P 0.00 4.20 0.00 2.03 2.15 0.00 3.63 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 132 N 7.88 4.92 0.00 2.68 2.77 0.00 0.00 6.80 7.35 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 0.00 133 A 7.63 4.57 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 0.00 134 M 8.37 4.45 0.00 1.88 2.02 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.70 0.00 135 N 8.54 4.88 0.00 2.76 2.95 0.00 0.00 5.87 7.23 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 0.00 136 A 8.73 4.02 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 0.00 137 A 7.91 4.08 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 0.00 138 E 8.62 3.89 0.00 2.33 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 2.33 2.58 0.00 139 I 7.76 3.70 1.85 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 1.73 1.00 0.90 0.00 0.00 140 T 7.82 3.69 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 1.09 0.00 0.00 141 D 7.86 4.26 0.00 2.96 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 0.00 142 K 8.13 3.91 0.00 1.74 1.86 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.63 7.81 143 L 8.16 4.13 0.00 1.43 1.49 0.78 0.93 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 0.00 144 G 8.33 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 0.00 145 L 7.79 3.41 0.00 0.70 0.13 0.53 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 146 H 7.88 4.65 0.00 3.15 3.37 0.00 5.68 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 S 7.36 4.59 0.00 3.91 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 0.00 148 L 7.36 4.28 0.00 1.58 1.68 0.52 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 149 R 7.37 4.49 0.00 1.97 2.07 0.00 3.22 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.90 0.00 150 H 7.81 4.91 0.00 3.15 3.38 0.00 5.68 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 R 7.89 4.63 0.00 1.97 1.89 0.00 3.15 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.78 0.00 152 N 8.65 4.79 0.00 2.92 2.87 0.00 0.00 6.45 7.95 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 0.00 153 W 7.93 5.75 0.00 3.41 3.06 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 0.00 154 Y 7.93 4.15 0.00 1.43 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 0.00 155 I 7.45 4.70 1.88 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 1.13 1.20 0.86 0.00 0.00 156 Q 8.82 4.51 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.77 0.00 0.00 0.00 0.00 0.00 2.85 2.53 0.00 157 A 8.60 4.86 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 0.00 158 T 8.56 5.05 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 1.03 0.00 0.00 159 C 8.33 4.47 0.00 2.96 2.94 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 0.00 160 A 9.45 4.13 1.22 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 0.00 161 T 7.88 4.07 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 0.00 162 S 7.97 4.20 0.00 4.00 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 0.00 163 G 8.88 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 0.00 164 D 7.56 4.66 0.00 3.02 2.83 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 0.00 165 G 9.17 4.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 L 7.73 4.06 0.00 2.01 1.76 0.74 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 167 Y 8.27 4.22 0.00 3.15 3.07 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 0.00 0.00 0.00 168 E 8.63 4.24 0.00 2.40 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.67 0.00 169 G 8.59 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 0.00 170 L 8.42 4.44 0.00 1.98 1.95 1.24 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 171 D 8.31 3.92 0.00 2.41 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 0.00 172 W 7.88 3.99 0.00 3.15 3.38 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 0.00 173 L 8.18 3.64 0.00 2.18 1.81 1.17 0.73 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 0.00 174 S 8.01 3.96 0.00 3.51 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 0.00 175 N 7.85 4.09 0.00 2.56 2.59 0.00 0.00 7.08 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 0.00 176 Q 7.58 3.78 0.00 1.59 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.80 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 177 L 7.65 3.91 0.00 1.61 1.68 0.88 0.89 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 0.00 178 R 7.65 3.92 0.00 2.00 1.87 0.00 3.10 0.00 0.00 3.18 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 179 N 7.49 4.98 0.00 2.72 2.73 0.00 0.00 6.94 8.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 Q 8.40 3.98 0.00 1.97 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.26 0.00 181 K 7.63 4.13 0.00 1.67 1.57 0.00 1.86 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.39 7.81 * Residues marked with a * may have inaccurate shift predictions.