NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.4099 8.3344 115.4150 57.8169 65.0122 173.8489 6 D 4.5436 7.9775 118.3460 52.3120 41.5819 173.8713 7 L 3.8695 8.7777 120.6817 56.1278 43.1252 176.2566 8 I 3.9270 8.2934 127.2756 60.5673 37.7007 174.1236 9 P 4.4571 0.0000 0.0000 61.7740 32.1687 176.0239 10 A 2.9012 8.3799 123.8174 51.4723 18.7163 175.9668 11 P 4.2712 0.0000 0.0000 61.2721 32.4665 174.4515 12 P 4.2910 0.0000 0.0000 62.3312 32.0367 177.4237 13 L 3.9821 8.5254 121.3309 57.7431 41.6621 179.3959 14 S 4.1313 7.8596 111.4678 60.0928 63.0424 174.8821 15 K 4.0884 8.0434 119.7942 56.7053 32.2361 176.9936 16 V 4.1133 7.1361 119.5202 59.8075 30.9558 173.2698 17 P 4.3087 0.0000 0.0000 62.6129 31.9623 174.9125 18 L 5.0045 7.9602 121.8331 52.8801 44.3235 175.5934 19 Q 4.0712 8.7824 128.3892 56.4862 29.2653 176.0345 20 Q 4.1982 8.7962 125.7318 56.0766 29.9739 175.3366 21 N 4.2063 8.8725 116.2728 53.5992 36.3251 174.7072 22 F 4.1149 8.5619 118.5635 59.0999 39.9859 174.2473 23 Q 4.3242 8.2919 127.4542 53.7019 29.0474 175.8959 24 D 4.9730 8.7574 123.9171 55.5502 39.5910 177.7940 25 N 4.6515 8.0008 114.6129 52.7865 37.4951 175.1546 26 Q 4.3449 7.7284 117.3482 56.1612 30.9488 176.3766 27 F 4.8796 8.3031 118.3530 59.6511 39.8693 174.7798 28 H 4.4510 7.5729 114.8627 56.2196 29.0371 174.8297 29 G 3.5107 9.0768 105.8044 43.8524 0.0000 171.6227 30 K 4.5329 7.7347 119.5157 55.3186 33.2074 177.1428 31 W 5.0491 8.7646 126.2766 55.1028 33.2757 173.7218 32 Y 4.6954 9.1759 121.6089 56.5501 39.8477 175.5418 33 V 4.2633 8.3271 124.2866 62.5262 30.5754 175.5204 34 V 4.0215 8.5724 129.2404 64.7623 33.0365 175.8215 35 G 3.9630 8.1201 106.2642 44.1874 0.0000 171.6619 36 L 5.3973 8.8419 124.3894 53.2486 45.6314 174.8259 37 A 5.1589 9.6512 127.4318 50.2109 23.0890 174.8633 38 G 3.8534 7.9900 106.0924 45.7477 0.0000 174.2120 39 N 4.4438 7.9815 117.0756 54.2133 37.4744 176.0556 40 R 4.4237 7.5720 116.1769 56.0698 31.7947 175.9988 41 I 3.9649 7.3424 120.5337 60.7055 37.6859 174.6393 42 L 5.0291 8.1575 124.4167 52.5664 44.4908 176.3327 43 R 4.0139 9.2355 126.6600 56.4560 30.9230 175.8148 44 D 4.5927 8.5812 125.4047 52.8763 43.1404 175.2228 45 D 4.4691 8.9147 126.1031 56.2420 41.0840 177.5557 46 Q 4.1967 8.1523 118.8939 57.6721 29.8850 175.2688 47 H 4.9017 8.0715 114.0069 53.3535 29.2655 171.2845 48 P 4.3898 0.0000 0.0000 62.9679 32.5096 176.3267 49 M 4.4473 8.3818 120.0925 54.9108 33.6926 174.9884 50 N 4.9430 8.6955 123.0025 53.0321 39.7566 174.7128 51 M 4.5399 8.8953 123.0936 56.0298 33.4020 174.5766 52 Y 5.1510 8.4374 121.0857 55.4141 42.6406 173.2114 53 A 5.1284 8.8534 119.9089 50.3875 22.9654 175.2719 54 T 4.9131 8.6214 115.3598 61.7696 72.8008 173.1463 55 I 4.6982 8.7117 126.8701 59.6642 40.2863 174.1276 56 Y 4.5000 8.9979 125.6841 56.4892 39.6192 174.8061 57 E 4.9756 8.8534 125.7535 54.0675 31.7000 175.6870 58 L 4.4686 8.9690 127.9348 55.3994 42.9487 176.9109 59 K 4.5882 9.3343 126.6361 54.8877 33.8743 177.7892 60 E 3.9944 8.8898 119.2967 59.2409 29.5092 177.3442 61 D 4.6732 8.0550 117.1418 52.9191 39.5536 176.9120 62 K 3.8391 7.9174 116.3132 57.4324 30.3979 175.7398 63 S 4.8684 8.3165 115.0792 57.7111 64.7466 172.0622 64 Y 5.4538 9.0530 120.0109 56.3009 41.1642 174.9783 65 N 4.9255 9.2762 121.3736 52.1720 40.3781 174.3510 66 V 4.1557 8.7204 125.7648 61.4102 33.3348 174.3668 67 T 4.9350 8.4294 125.7819 61.9402 70.9588 173.7584 68 S 5.0676 8.8474 122.7697 56.7458 65.6679 173.2131 69 V 4.2451 8.7942 124.8412 61.0632 33.5830 174.3154 70 I 4.9230 8.4804 128.3530 59.4799 41.1216 174.2628 71 S 5.2471 8.4662 120.1272 56.7887 63.9659 173.5661 72 S 4.4186 8.9817 119.1762 58.9013 65.7953 174.5410 73 H 4.2225 9.5272 120.0305 57.1039 25.9704 175.4735 74 K 3.9327 8.4984 114.1891 56.8311 29.9411 175.6047 75 K 4.6961 7.8900 118.1911 54.6759 35.2280 174.0038 76 C 5.3434 8.6745 117.4586 55.5005 43.0177 173.2383 77 E 4.8415 9.2055 124.3867 54.8825 31.3906 174.5463 78 Y 5.1021 8.8250 122.0554 56.3431 40.3996 175.2056 79 T 4.8308 8.7197 113.5099 59.9712 72.5766 172.8968 80 I 5.1588 8.3316 122.2590 59.7651 41.1202 174.4688 81 A 4.7631 8.8021 125.3259 50.7708 23.3592 174.9565 82 T 5.0028 8.5626 115.7637 61.9638 71.3265 173.5002 83 F 5.5096 9.2003 126.3059 56.3406 40.6577 175.0647 84 V 4.5943 8.7976 125.1871 60.8790 32.9609 173.5035 85 P 4.1676 0.0000 0.0000 63.4742 31.5052 176.7558 86 G 4.1975 8.1335 113.2620 45.9022 0.0000 174.8947 87 S 4.3882 8.7723 115.5973 60.5325 63.7994 174.5102 88 Q 4.4876 7.3865 118.8090 53.1526 32.5813 172.1813 89 P 4.2169 0.0000 0.0000 64.0650 31.8612 176.9080 90 G 2.8191 8.2444 110.8786 44.2169 0.0000 172.0611 91 E 4.9695 7.4681 120.8762 54.4878 32.5284 174.6192 92 F 5.4615 9.4321 123.0809 56.4164 44.4147 173.2666 93 T 5.0895 8.8966 109.8792 59.6889 72.3560 173.4292 94 L 4.3612 8.5643 125.3156 55.4847 41.2416 178.1117 95 G 3.7354 8.8729 118.9802 45.3147 0.0000 170.8935 *97 I 3.9068 8.0008 115.2544 60.4612 38.6797 175.3402 98 K 4.2845 7.9677 117.3952 56.3109 34.8599 175.2213 99 S 4.5239 8.7155 120.5768 56.7199 62.9328 171.9918 100 Y 3.9187 8.2924 133.8196 57.3715 39.2726 177.8430 *105 S 4.2768 7.5094 116.5626 58.2419 63.9080 170.1259 106 Y 4.8301 8.0453 122.7439 55.3720 40.8638 173.3136 107 L 5.1285 9.0565 130.6225 53.2726 45.0740 175.0938 108 V 4.6791 8.8598 125.3698 61.0206 34.6849 174.0486 109 R 4.8260 8.9514 128.0806 54.3435 33.2038 174.2679 110 V 3.8178 8.7593 128.1179 62.8044 31.5828 176.6933 111 V 4.1225 8.3050 129.4968 65.1988 32.1688 176.4897 112 S 4.7556 7.5784 111.4158 58.0052 65.4738 174.0843 113 T 3.7540 8.8130 119.6356 61.2353 70.4804 172.5318 114 D 4.6828 7.3952 125.2388 52.6307 39.7432 178.5660 115 Y 4.1455 7.9249 117.8251 59.3435 37.5802 170.0933 116 N 4.9644 8.5467 113.5176 52.2234 38.6237 173.7072 117 Q 4.6742 8.4792 118.9468 57.6080 31.5762 173.9725 118 Y 6.1841 9.1985 114.7753 55.2794 42.5304 173.1464 119 A 4.3564 8.3002 119.6436 50.6914 22.8554 175.1024 120 V 4.6763 9.1802 123.2704 61.1281 33.9277 174.7110 121 V 4.7217 8.6497 127.1798 61.0242 34.9645 173.6067 122 F 5.2669 9.0434 130.1229 56.7185 41.5557 174.2710 123 F 5.0565 8.4847 123.9487 55.4113 42.7905 174.0045 124 K 4.2762 8.6552 123.9988 54.4681 35.8765 174.3804 125 L 4.6502 8.1662 130.0276 53.2123 44.0946 174.9870 126 A 4.4124 9.0585 130.2238 50.8324 19.8656 174.2502 127 E 3.3291 8.8353 125.6100 56.7257 28.0135 174.5407 *130 A 4.2050 8.3793 125.6778 51.8373 19.5365 175.1823 131 E 5.1459 8.0365 119.6851 55.3341 32.5658 174.3350 132 F 4.9588 8.0069 116.2136 56.8767 41.9151 172.2413 133 F 5.0562 8.7055 112.9076 55.3273 41.4628 173.4339 134 A 5.0497 8.8985 121.3676 51.0553 23.5031 174.9969 135 I 5.4783 9.8043 120.3042 60.0238 41.6058 174.9350 136 T 5.0777 9.2797 116.3674 59.7701 72.5020 172.7312 137 I 4.5790 7.9340 123.3343 59.5350 40.3821 174.2733 138 Y 5.3254 9.2581 128.2610 57.3798 39.9664 174.9968 139 G 4.8515 9.4166 107.7850 44.8136 0.0000 173.9491 140 R 4.2268 9.1616 121.3363 57.9190 30.7137 176.1808 141 T 4.6734 7.7929 107.2062 59.3243 71.7311 173.6564 142 K 4.0796 8.0692 118.6717 57.3131 32.2806 177.0139 143 E 4.8430 7.6726 117.5586 54.4573 33.1502 174.9424 144 L 4.8404 8.1108 119.3431 52.4451 46.2026 176.4359 145 A 4.0612 8.4451 123.6989 52.3557 19.1817 178.5429 146 S 4.0467 8.9257 116.2691 61.8295 62.1744 176.7005 147 E 3.9841 8.1381 120.4008 59.3834 29.2291 179.2246 148 L 3.8570 7.7464 118.4068 57.7735 41.6487 179.7323 149 K 4.2267 8.0019 117.8926 59.6055 32.0411 179.1021 150 E 4.0621 8.7100 119.3156 59.5742 29.3800 179.1801 151 N 4.4315 8.5625 116.7570 56.1823 38.5519 177.2833 152 F 4.4050 8.4872 122.3114 61.3816 39.4382 177.3511 153 I 3.6681 8.2270 119.7043 64.3329 36.8253 178.6776 154 R 3.9178 8.2248 119.0191 59.2145 29.6936 178.8936 155 F 4.2663 8.1728 119.4080 61.2907 39.6804 177.0990 156 S 3.9461 7.9410 114.7650 61.3930 62.5199 176.7520 157 K 4.6239 8.3948 122.9278 59.0042 31.6402 179.4629 158 S 3.6412 8.1716 113.1819 60.5015 62.7354 175.4064 159 L 4.3802 7.4014 121.1471 54.1489 41.6404 176.9826 160 G 3.8602 8.8387 108.2594 45.2252 0.0000 173.3857 161 L 4.4698 7.6035 120.3748 51.9686 42.7012 174.7829 162 P 4.8355 0.0000 0.0000 61.7889 32.7136 177.0991 163 E 4.0297 8.7196 117.7738 59.3937 29.4936 178.7412 164 N 4.6319 8.1970 114.1481 54.3085 37.9879 175.4111 165 H 5.6384 8.2513 115.7849 54.9157 29.1038 173.4870 166 I 5.0523 7.5820 119.6947 59.6527 39.9943 175.3853 167 V 4.5063 8.8799 119.2780 59.5473 36.1648 174.9593 168 F 4.9948 8.5964 120.9538 53.8172 40.4541 173.0666 169 P 4.5471 0.0000 0.0000 63.0813 32.1136 176.3374 170 V 3.8932 9.0401 124.4320 61.9074 32.6073 173.5762 171 P 4.7187 0.0000 0.0000 62.8518 31.6340 175.6992 172 I 4.6770 8.3606 116.5173 59.2841 40.6713 174.6068 173 D 4.7668 8.4532 118.8326 54.8931 42.5252 177.4335 174 Q 4.1761 7.9063 118.4286 56.6696 29.4327 178.3690 175 C 4.2338 8.8228 116.6735 58.2127 39.0207 174.0706 176 I 3.9193 7.7332 111.3473 61.5736 37.9791 176.4542 177 D 4.8520 8.2481 120.4687 53.9344 40.7791 176.4769 178 G 4.2228 7.6461 113.5292 46.1120 0.0000 174.0305 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 5 S 8.33 4.41 0.00 4.00 4.08 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 0.00 0.00 0.00 0.00 6 D 7.98 4.54 0.00 2.73 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 7 L 8.78 3.87 0.00 1.65 1.64 0.96 1.11 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 8 I 8.29 3.93 1.96 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 1.62 0.53 1.13 0.00 0.00 9 P 0.00 4.46 0.00 2.12 2.03 0.00 3.80 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 1.94 1.94 0.00 10 A 8.38 2.90 1.12 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 11 P 0.00 4.27 0.00 1.89 1.74 0.00 2.96 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 12 P 0.00 4.29 0.00 2.14 2.12 0.00 3.55 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.89 0.00 13 L 8.53 3.98 0.00 1.67 1.67 0.83 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.86 4.13 0.00 3.91 3.93 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 15 K 8.04 4.09 0.00 1.69 1.73 0.00 1.52 0.00 0.00 1.50 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.25 7.81 16 V 7.14 4.11 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 0.49 0.00 0.00 -0.06 0.00 0.00 17 P 0.00 4.31 0.00 2.13 1.94 0.00 3.74 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.11 0.00 18 L 7.96 5.00 0.00 1.52 1.46 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.78 4.07 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.69 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 20 Q 8.80 4.20 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.66 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 21 N 8.87 4.21 0.00 2.92 2.94 0.00 0.00 6.88 7.45 0.00 0.00 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 F 8.56 4.11 0.00 3.18 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 23 Q 8.29 4.32 0.00 1.35 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.56 0.00 0.00 0.00 0.00 0.00 2.29 2.05 0.00 24 D 8.76 4.97 0.00 3.09 3.40 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 25 N 8.00 4.65 0.00 2.77 2.92 0.00 0.00 5.81 7.39 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 26 Q 7.73 4.34 0.00 1.24 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.98 0.00 0.00 0.00 0.00 0.00 2.03 1.91 0.00 27 F 8.30 4.88 0.00 3.16 3.37 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 28 H 7.57 4.45 0.00 3.68 3.73 0.00 5.61 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 29 G 9.08 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 30 K 7.73 4.53 0.00 1.53 1.41 0.00 1.47 0.00 0.00 1.08 0.00 0.00 2.52 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.70 0.98 7.81 31 W 8.76 5.05 0.00 2.43 2.36 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 0.00 32 Y 9.18 4.70 0.00 3.22 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 33 V 8.33 4.26 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.36 0.00 0.00 34 V 8.57 4.02 2.29 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 1.02 0.00 0.00 1.07 0.00 0.00 35 G 8.12 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 0.00 0.00 0.00 36 L 8.84 5.40 0.00 1.70 1.45 0.98 1.13 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 37 A 9.65 5.16 1.10 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 0.00 0.00 38 G 7.99 3.85 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 0.00 0.00 0.00 39 N 7.98 4.44 0.00 2.85 2.93 0.00 0.00 6.83 7.39 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 40 R 7.57 4.42 0.00 1.64 1.88 0.00 3.33 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.48 0.00 41 I 7.34 3.96 2.10 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 1.21 0.92 0.87 0.00 0.00 42 L 8.16 5.03 0.00 1.42 1.49 0.89 0.82 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 43 R 9.24 4.01 0.00 1.94 1.89 0.00 3.45 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 44 D 8.58 4.59 0.00 2.78 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.91 4.47 0.00 2.73 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 46 Q 8.15 4.20 0.00 2.02 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.35 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 47 H 8.07 4.90 0.00 3.15 3.19 0.00 5.91 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 48 P 0.00 4.39 0.00 2.21 2.09 0.00 3.75 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 2.00 1.97 0.00 49 M 8.38 4.45 0.00 2.18 1.98 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.66 0.00 50 N 8.70 4.94 0.00 2.68 2.78 0.00 0.00 6.97 7.66 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 51 M 8.90 4.54 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.65 0.00 52 Y 8.44 5.15 0.00 3.23 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 53 A 8.85 5.13 0.96 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 0.00 0.00 54 T 8.62 4.91 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 0.83 0.00 0.00 55 I 8.71 4.70 1.73 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 1.05 0.67 0.81 0.00 0.00 56 Y 9.00 4.50 0.00 2.50 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 0.00 0.00 0.00 0.00 57 E 8.85 4.98 0.00 1.96 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 2.23 2.20 0.00 58 L 8.97 4.47 0.00 1.91 1.70 0.96 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 59 K 9.33 4.59 0.00 1.96 1.76 0.00 1.77 0.00 0.00 1.93 0.00 0.00 2.95 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.48 1.57 7.81 60 E 8.89 3.99 0.00 2.09 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 2.30 2.27 0.00 61 D 8.06 4.67 0.00 2.81 2.81 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 62 K 7.92 3.84 0.00 2.01 2.03 0.00 1.85 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.38 1.52 7.81 63 S 8.32 4.87 0.00 4.01 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 64 Y 9.05 5.45 0.00 3.03 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 65 N 9.28 4.93 0.00 2.67 2.74 0.00 0.00 6.38 8.51 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 66 V 8.72 4.16 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 -0.09 0.00 0.00 -0.25 0.00 0.00 67 T 8.43 4.94 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 1.31 0.00 0.00 68 S 8.85 5.07 0.00 3.68 3.74 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 69 V 8.79 4.25 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 0.53 0.00 0.00 0.33 0.00 0.00 70 I 8.48 4.92 1.74 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.49 0.77 0.00 0.00 71 S 8.47 5.25 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 72 S 8.98 4.42 0.00 3.76 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 73 H 9.53 4.22 0.00 3.31 3.39 0.00 5.84 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.50 3.93 0.00 1.94 1.95 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.47 7.81 75 K 7.89 4.70 0.00 1.95 1.70 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.57 7.81 76 C 8.67 5.34 0.00 3.02 3.12 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 77 E 9.21 4.84 0.00 1.82 1.83 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 2.26 2.26 0.00 78 Y 8.83 5.10 0.00 2.76 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 79 T 8.72 4.83 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 80 I 8.33 5.16 1.85 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 1.28 0.68 0.89 0.00 0.00 81 A 8.80 4.76 1.17 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 0.00 0.00 0.00 0.00 0.00 82 T 8.56 5.00 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 1.39 0.00 0.00 83 F 9.20 5.51 0.00 3.05 3.02 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 84 V 8.80 4.59 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 1.04 0.00 0.00 1.07 0.00 0.00 85 P 0.00 4.17 0.00 1.96 1.90 0.00 3.82 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.39 0.00 86 G 8.13 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 0.00 0.00 0.00 0.00 87 S 8.77 4.39 0.00 3.94 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 136 T 9.28 5.08 3.86 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 0.00 0.00 0.00 1.28 0.00 0.00 137 I 7.93 4.58 1.08 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 1.23 1.66 0.14 0.00 0.00 138 Y 9.26 5.33 0.00 2.36 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 0.00 139 G 9.42 4.85 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 0.00 0.00 0.00 140 R 9.16 4.23 0.00 1.70 1.87 0.00 2.57 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.47 0.00 141 T 7.79 4.67 4.17 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 0.00 0.00 1.22 0.00 0.00 142 K 8.07 4.08 0.00 1.57 1.72 0.00 1.48 0.00 0.00 1.51 0.00 0.00 2.59 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.56 0.68 7.81 143 E 7.67 4.84 0.00 1.88 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 2.20 2.19 0.00 144 L 8.11 4.84 0.00 1.60 1.54 1.08 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 145 A 8.45 4.06 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 0.00 146 S 8.93 4.05 0.00 3.85 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 0.00 147 E 8.14 3.98 0.00 2.02 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 2.39 2.39 0.00 148 L 7.75 3.86 0.00 1.81 1.54 0.86 0.26 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 0.00 149 K 8.00 4.23 0.00 1.83 1.77 0.00 1.24 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.62 1.67 7.81 150 E 8.71 4.06 0.00 2.14 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 2.34 2.54 0.00 151 N 8.56 4.43 0.00 3.06 2.90 0.00 0.00 6.66 8.77 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 0.00 152 F 8.49 4.41 0.00 3.22 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.23 3.67 2.14 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.10 0.97 0.00 0.00 154 R 8.22 3.92 0.00 2.08 2.02 0.00 3.16 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.96 0.00 155 F 8.17 4.27 0.00 3.01 3.21 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 0.00 156 S 7.94 3.95 0.00 3.80 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 0.00 157 K 8.39 4.62 0.00 1.90 1.83 0.00 1.69 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.57 1.50 7.81 158 S 8.17 3.64 0.00 3.95 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 0.00 159 L 7.40 4.38 0.00 1.57 1.74 0.46 0.50 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 0.00 160 G 8.84 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 L 7.60 4.47 0.00 1.77 1.55 0.69 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 162 P 0.00 4.84 0.00 2.25 2.22 0.00 3.72 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.07 0.00 163 E 8.72 4.03 0.00 2.08 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 0.00 2.46 2.34 0.00 164 N 8.20 4.63 0.00 2.81 3.03 0.00 0.00 6.17 7.90 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 0.00 165 H 8.25 5.64 0.00 3.37 3.40 0.00 5.56 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 0.00 166 I 7.58 5.05 1.98 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 1.13 0.72 0.82 0.00 0.00 167 V 8.88 4.51 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 0.76 0.00 0.00 0.97 0.00 0.00 168 F 8.60 4.99 0.00 2.95 3.04 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 0.00 169 P 0.00 4.55 0.00 2.17 2.22 0.00 3.82 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 170 V 9.04 3.89 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 1.05 0.00 0.00 0.98 0.00 0.00 171 P 0.00 4.72 0.00 1.95 1.93 0.00 3.68 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 172 I 8.36 4.68 1.89 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 1.55 0.72 1.00 0.00 0.00 173 D 8.45 4.77 0.00 2.67 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 0.00 174 Q 7.91 4.18 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.08 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 175 C 8.82 4.23 0.00 3.12 3.18 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 0.00 176 I 7.73 3.92 2.07 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.06 1.01 0.00 0.00 177 D 8.25 4.85 0.00 2.74 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 0.00 178 G 7.65 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 * Residues marked with a * may have inaccurate shift predictions.