NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2030 8.1633 120.4879 55.2908 34.0047 173.7338 2 F 4.9633 8.3769 122.5229 55.7719 40.8900 174.2008 3 F 5.0733 10.3002 121.8361 56.1252 44.6492 173.0163 4 I 4.9548 8.5835 120.2749 59.6479 39.2088 175.3652 5 K 4.6188 9.0734 128.3894 54.4669 35.6464 174.5501 6 D 4.8832 8.5622 126.4928 53.9802 41.7998 175.4604 7 L 4.7015 8.3924 123.0890 53.2063 46.4294 175.1440 8 S 5.7467 7.9211 111.7662 58.3721 65.6451 173.7989 9 L 4.8661 8.4941 122.5386 53.6303 45.7751 174.3717 10 N 5.2675 8.8972 123.0842 52.3980 39.7271 174.3200 11 I 4.5148 8.6761 125.1002 59.7599 39.7462 175.5405 12 T 4.5210 8.6465 123.9198 62.1874 68.6641 173.9240 13 L 5.0086 8.9023 128.1552 53.4759 44.8559 175.2180 14 H 4.8331 8.7343 121.4859 54.7368 32.8582 174.7498 15 P 2.9700 0.0000 0.0000 65.0257 31.9709 177.9103 16 S 3.7851 7.2648 114.4667 60.8564 62.8242 175.6729 17 F 4.6566 7.1887 116.8204 58.2587 40.8687 175.7863 18 F 4.1209 7.5626 117.1339 55.3849 39.7153 175.5733 19 G 4.0586 8.2312 112.1489 45.1621 0.0000 171.0429 20 P 4.6280 0.0000 0.0000 63.0133 30.8902 177.4404 21 R 4.6850 8.0587 115.0172 54.8989 32.4168 176.8939 22 M 4.2285 8.0861 116.8684 57.6739 30.9495 178.5727 23 K 3.8835 7.8997 119.8425 59.5938 32.5441 178.7863 24 Q 4.0391 8.0779 119.1778 59.0441 28.8143 177.6441 25 Y 3.9475 7.8946 120.6539 60.7398 38.8819 177.4182 26 L 3.6964 8.0242 119.9667 57.8005 41.5812 179.9705 27 K 3.7618 7.9730 118.0356 59.7817 32.1411 179.3522 28 T 3.8310 7.7078 115.9495 66.8513 68.3666 176.7676 29 K 3.7995 7.9354 120.4051 58.8108 31.9864 179.1102 30 L 3.7483 7.8779 121.1175 58.2993 41.8809 179.0953 31 L 3.9381 8.0120 118.9312 57.6920 41.2456 179.5219 32 E 3.9071 7.6244 117.5090 59.6096 29.5370 178.9499 33 E 4.1409 8.0282 116.9842 58.4252 29.9100 178.1419 34 V 4.2837 7.6881 110.5891 61.0187 33.6738 175.5316 35 E 4.3569 7.7444 121.4912 57.2295 29.6059 176.7700 36 G 4.0019 9.3561 115.8594 45.0263 0.0000 173.1115 37 S 4.7008 7.8627 115.1110 57.8890 65.1741 172.5753 38 C 5.1304 8.2178 118.9197 58.3305 34.9242 172.4592 39 T 4.6749 8.7995 114.3500 59.9270 71.7679 175.1033 40 G 3.6558 8.3200 112.3407 48.2046 0.0000 175.1023 41 K 3.7662 8.0509 119.9639 58.8376 32.1877 177.4287 42 F 4.7071 7.8676 115.0289 57.3250 40.7288 176.0423 43 G 3.9809 8.2428 106.2308 44.1447 0.0000 171.3018 44 Y 4.9182 9.4223 119.2322 57.4341 39.6933 175.5267 45 I 4.6563 8.6920 126.4287 60.4498 36.6371 176.3794 46 L 4.2053 8.8050 127.0955 57.4429 42.7012 177.4349 47 C 4.7800 7.8305 119.3345 58.1877 34.6856 173.3201 48 V 4.3042 8.8474 127.7635 63.0895 31.7451 175.4237 49 L 4.5704 8.8711 127.6784 52.4508 44.3390 175.6378 50 D 4.3162 8.4379 116.9413 55.0911 39.5658 173.0906 51 Y 4.0006 8.0217 124.5623 61.2091 39.1641 177.8111 52 D 4.6403 8.3599 116.3221 56.3302 40.9620 176.6580 53 N 4.9658 7.9302 115.1183 52.5038 39.6648 174.4253 54 I 3.5502 7.3208 119.8183 61.7638 37.5877 175.2901 55 D 4.5012 8.5382 125.7829 53.6055 40.0584 176.0045 56 I 3.9876 7.7129 129.2912 59.5874 37.4812 176.0000 57 Q 3.7053 7.3906 123.2472 56.8545 28.5259 173.2108 *70 F 4.3894 7.4480 114.3716 56.3582 41.0265 173.0232 71 N 5.0221 8.9141 123.3729 52.4628 39.6293 174.0910 72 V 4.3816 8.7063 127.9476 61.8906 33.0827 174.8831 73 K 5.1878 9.1303 128.2072 55.6727 34.3829 175.1284 74 Y 4.8484 8.2871 120.0797 56.6836 41.7902 173.0470 75 R 5.0821 8.4871 117.7546 54.7820 33.8616 174.8368 76 A 5.0830 8.4479 121.2490 50.9758 23.7395 175.5751 77 V 4.5359 8.7932 120.3993 62.3895 32.6181 175.5594 78 V 5.2381 9.0744 121.4911 59.7567 35.4335 174.5102 79 F 5.2049 9.2288 124.6207 56.4073 42.4459 173.9851 80 K 4.8522 8.1372 127.2200 54.5940 35.0727 173.8497 81 P 4.5928 0.0000 0.0000 62.5363 32.4923 175.5414 82 F 4.6392 8.5627 117.8891 54.9781 42.1027 174.8572 83 K 4.1387 8.5855 125.7186 58.1825 32.3417 177.0372 84 G 4.0157 9.1711 115.3840 44.9442 0.0000 173.1794 85 E 4.1907 8.2711 121.9770 56.1035 30.8749 175.4128 86 V 4.8491 8.3498 126.2920 61.6389 33.1840 175.1051 87 V 4.7183 9.0576 120.1219 59.9180 36.3914 173.8744 88 D 5.3991 8.6934 121.7398 53.2763 43.2536 175.8936 89 G 4.2056 8.8961 108.0299 46.1397 0.0000 171.2704 90 T 5.1991 8.1680 115.7230 61.2241 71.5781 174.5490 91 V 4.0604 8.7072 127.0753 63.5004 31.8443 176.4553 92 V 4.1645 9.0352 128.6878 64.6045 32.8165 175.9720 93 S 4.8053 7.7077 111.5754 57.6455 65.5961 174.2099 94 C 5.7521 8.7023 118.9635 58.7211 31.8146 172.9591 95 S 4.6235 8.8706 114.7949 57.5386 65.5713 175.8177 96 Q 2.7814 8.1354 117.8003 58.5394 28.3481 176.9859 97 H 4.6415 9.0694 115.8637 56.3695 30.0302 175.0305 98 G 3.3360 6.3174 107.4310 44.2718 0.0000 171.8585 99 F 5.4833 6.8518 115.7133 55.3432 41.8669 173.9142 100 E 5.0243 9.4140 121.2321 55.8188 31.2626 175.3809 101 V 4.8216 8.8378 124.1541 61.0833 34.5259 174.0450 102 Q 4.6077 9.4000 130.0949 55.6085 30.4232 174.5984 103 V 4.2506 9.1921 127.8717 60.6872 33.8909 175.3637 104 G 3.3969 8.7605 120.4643 46.4285 0.0000 171.5652 105 P 4.2695 0.0000 0.0000 62.6850 31.5237 175.2574 106 M 4.7784 7.5052 118.5363 53.7013 35.2880 173.6448 107 K 5.1724 8.5286 121.1947 54.5974 34.7726 175.6521 108 V 4.5157 9.0770 125.1902 61.2071 33.9585 173.9611 109 F 4.7729 9.2270 131.0913 56.9172 41.1042 174.5602 110 V 4.8653 7.4890 127.4727 60.3609 32.0508 175.5094 111 T 4.1301 7.8643 118.5147 60.7299 69.6661 175.3869 112 K 3.5885 8.5293 124.5836 59.9514 32.1979 178.3638 113 H 4.5196 7.5019 113.7806 57.3650 29.0657 175.6499 114 L 4.7077 8.0342 119.7225 54.5830 42.6940 175.5508 115 M 4.9368 7.3369 116.7790 52.5438 34.3802 174.2634 116 P 4.2449 0.0000 0.0000 63.2263 32.2371 176.3908 117 Q 4.0935 9.0403 121.1042 59.4759 28.7514 178.5407 118 D 4.5504 8.1291 114.4372 54.3361 39.4369 174.7449 119 L 5.2220 7.6511 122.5591 53.8351 43.9390 175.3714 120 T 5.0782 8.7953 115.6580 59.5471 72.9167 173.0272 121 F 3.4705 8.7305 123.9712 58.0822 39.9391 174.7734 122 N 4.4215 6.5628 117.4254 51.2750 41.6850 172.3828 123 A 3.8201 5.9642 128.9779 52.2432 26.3000 178.1694 *129 S 4.6383 8.7800 118.7776 57.6348 66.0998 173.4986 130 Y 4.9939 8.6411 116.0695 56.4540 41.0225 175.3703 131 Q 5.2079 9.2498 122.1047 54.3373 33.2915 174.1638 132 S 5.2626 8.7704 115.2612 54.6789 66.4798 173.6206 133 S 4.5071 8.5082 114.5726 57.9961 62.2332 173.9787 134 E 4.5678 7.0241 125.8857 58.4516 33.8518 176.1380 135 D 4.4788 7.5596 117.1365 53.6465 42.2216 175.9583 136 V 4.6229 7.9862 120.6354 61.8246 34.2347 174.0962 137 I 4.3806 8.7338 130.0049 60.2399 39.2915 175.4807 138 T 4.7426 7.9906 121.7397 62.3766 73.3156 172.8969 139 I 4.0883 8.2682 122.7630 63.3363 37.3586 177.3067 140 K 4.0167 8.7312 121.5127 56.6248 31.1048 176.6268 141 S 4.3123 7.7825 115.1247 58.1822 63.6232 173.0028 142 R 4.8744 8.4779 125.4114 55.4693 31.7416 175.1691 143 I 5.0009 8.9876 122.9364 59.5491 42.4560 173.2752 144 R 5.0151 8.9528 128.7962 55.1025 31.5067 175.2191 145 V 4.9078 9.0584 126.2309 60.9646 35.6809 173.6698 146 K 4.9712 8.5873 126.8934 54.6781 34.3956 175.2508 147 I 4.4101 8.9743 129.3633 61.6581 37.3871 176.3076 148 E 4.4736 9.2974 127.3958 57.4684 31.1509 176.6544 149 G 4.2724 7.6621 103.9936 45.3273 0.0000 172.0596 150 C 5.4499 8.6272 119.0198 57.6618 31.9492 173.4818 151 I 4.5631 9.1297 124.1143 59.4836 39.7997 174.4783 152 S 5.0337 8.7204 122.3121 56.9005 64.5573 174.0483 153 Q 4.4165 8.7918 124.5923 54.0392 30.9938 176.6728 154 V 3.6931 8.5300 119.4040 65.3682 32.2680 177.4458 155 S 4.8952 7.5886 113.0173 56.3091 62.6900 173.3306 156 S 4.5636 7.6250 112.3790 59.1207 65.7196 174.8389 157 I 5.0981 8.0522 112.8052 59.6764 40.5934 174.0718 158 H 5.1568 9.6237 120.4879 54.0640 32.9079 172.3423 159 A 5.2633 8.6103 121.9069 50.3154 22.7843 174.7137 160 I 4.9336 8.8474 122.0884 59.5627 40.3735 175.1532 161 G 4.6345 9.2099 112.7456 44.6342 0.0000 171.0658 162 S 5.1423 8.8314 113.6284 56.3510 67.1112 174.2730 163 I 4.6656 8.3114 110.9851 61.1353 38.1787 176.8384 164 K 4.0735 8.4332 124.0706 60.0811 31.8411 177.5945 165 E 4.2035 7.9290 117.2430 55.8076 30.1037 175.9028 166 D 4.1711 8.2835 119.9521 56.0695 41.1895 176.6230 167 Y 3.7463 8.1142 118.3952 58.5536 35.4878 169.2459 168 L 4.7038 7.3593 118.6004 53.4565 44.5371 175.9733 169 G 3.8339 9.4476 104.7241 44.2530 0.0000 172.1931 170 A 3.8994 8.2310 121.1499 53.5407 18.8782 177.9991 171 I 3.5454 8.5733 123.3106 61.6735 37.5299 173.4298 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 1 M 8.16 4.20 0.00 1.64 1.86 0.00 0.00 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.59 0.00 2 F 8.38 4.96 0.00 2.95 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 3 F 10.30 5.07 0.00 3.01 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 4 I 8.58 4.95 1.94 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 1.30 0.67 0.95 0.00 0.00 5 K 9.07 4.62 0.00 1.81 1.54 0.00 1.42 0.00 0.00 1.58 0.00 0.00 2.95 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.13 1.14 7.81 6 D 8.56 4.88 0.00 2.50 2.47 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 0.00 0.00 0.00 0.00 7 L 8.39 4.70 0.00 0.27 1.03 0.71 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 8 S 7.92 5.75 0.00 3.91 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 9 L 8.49 4.87 0.00 1.87 1.54 0.97 0.63 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 10 N 8.90 5.27 0.00 2.69 2.80 0.00 0.00 6.84 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 11 I 8.68 4.51 1.87 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 1.20 0.60 0.84 0.00 0.00 12 T 8.65 4.52 4.32 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 1.29 0.00 0.00 13 L 8.90 5.01 0.00 1.50 1.53 0.86 0.84 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 14 H 8.73 4.83 0.00 3.30 3.09 0.00 5.87 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 P 0.00 2.97 0.00 1.94 2.04 0.00 3.28 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.63 0.00 16 S 7.26 3.79 0.00 3.11 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 17 F 7.19 4.66 0.00 2.86 2.68 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 F 7.56 4.12 0.00 2.97 2.96 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 19 G 8.23 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 20 P 0.00 4.63 0.00 2.07 2.09 0.00 3.65 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 2.04 2.12 0.00 21 R 8.06 4.69 0.00 1.85 1.91 0.00 3.49 0.00 0.00 3.25 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 22 M 8.09 4.23 0.00 2.28 2.27 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.84 0.00 23 K 7.90 3.88 0.00 1.82 1.85 0.00 1.67 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.48 7.81 24 Q 8.08 4.04 0.00 2.17 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.93 0.00 0.00 0.00 0.00 0.00 2.51 2.53 0.00 25 Y 7.89 3.95 0.00 3.16 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 26 L 8.02 3.70 0.00 1.74 1.56 0.47 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.97 3.76 0.00 1.89 1.58 0.00 1.40 0.00 0.00 0.61 0.00 0.00 2.67 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.14 1.51 7.81 28 T 7.71 3.83 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 1.14 0.00 0.00 29 K 7.94 3.80 0.00 1.48 1.59 0.00 1.12 0.00 0.00 1.31 0.00 0.00 2.72 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.07 0.52 7.81 30 L 7.88 3.75 0.00 1.59 1.66 0.36 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.01 3.94 0.00 1.81 1.69 1.06 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 32 E 7.62 3.91 0.00 2.03 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 2.30 2.36 0.00 33 E 8.03 4.14 0.00 1.89 1.98 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 2.31 2.39 0.00 34 V 7.69 4.28 2.16 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 0.89 0.00 0.00 0.76 0.00 0.00 35 E 7.74 4.36 0.00 1.87 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 2.35 2.42 0.00 36 G 9.36 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 37 S 7.86 4.70 0.00 3.96 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 38 C 8.22 5.13 0.00 2.61 2.51 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 39 T 8.80 4.67 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 1.26 0.00 0.00 40 G 8.32 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.05 3.77 0.00 1.46 1.54 0.00 1.42 0.00 0.00 1.12 0.00 0.00 2.13 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.30 0.89 7.81 42 F 7.87 4.71 0.00 3.14 3.01 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 43 G 8.24 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 44 Y 9.42 4.92 0.00 3.05 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.69 4.66 2.17 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.85 1.07 0.00 0.00 46 L 8.81 4.21 0.00 1.87 1.83 1.15 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 47 C 7.83 4.78 0.00 3.02 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 48 V 8.85 4.30 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 0.85 0.00 0.00 0.82 0.00 0.00 49 L 8.87 4.57 0.00 1.61 1.63 0.97 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 50 D 8.44 4.32 0.00 2.89 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 51 Y 8.02 4.00 0.00 3.10 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 52 D 8.36 4.64 0.00 2.76 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 53 N 7.93 4.97 0.00 3.09 2.77 0.00 0.00 6.95 7.05 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 54 I 7.32 3.55 1.67 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 1.13 0.58 0.88 0.00 0.00 55 D 8.54 4.50 0.00 2.71 2.58 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 0.00 0.00 0.00 0.00 56 I 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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 0.00 0.00 0.00 77 V 8.79 4.54 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 1.18 0.00 0.00 1.01 0.00 0.00 78 V 9.07 5.24 2.35 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 0.75 0.00 0.00 1.19 0.00 0.00 79 F 9.23 5.20 0.00 2.81 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 80 K 8.14 4.85 0.00 2.02 1.92 0.00 1.95 0.00 0.00 1.57 0.00 0.00 2.59 0.00 0.00 2.35 0.00 0.00 0.00 0.00 1.14 1.34 7.81 81 P 0.00 4.59 0.00 2.25 2.12 0.00 3.76 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.10 0.00 82 F 8.56 4.64 0.00 3.11 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.59 4.14 0.00 1.71 1.76 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.53 7.81 84 G 9.17 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 0.00 0.00 0.00 85 E 8.27 4.19 0.00 2.15 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 0.00 2.36 2.29 0.00 86 V 8.35 4.85 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 0.95 0.00 0.00 0.97 0.00 0.00 87 V 9.06 4.72 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 0.76 0.00 0.00 1.07 0.00 0.00 88 D 8.69 5.40 0.00 2.58 2.59 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 0.00 0.00 0.00 0.00 89 G 8.90 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 90 T 8.17 5.20 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 1.27 0.00 0.00 91 V 8.71 4.06 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 0.84 0.00 0.00 0.67 0.00 0.00 92 V 9.04 4.16 2.16 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 0.88 0.00 0.00 1.03 0.00 0.00 93 S 7.71 4.81 0.00 4.00 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 94 C 8.70 5.75 0.00 3.10 3.33 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 95 S 8.87 4.62 0.00 3.98 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 96 Q 8.14 2.78 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 7.03 0.00 0.00 0.00 0.00 0.00 2.13 1.95 0.00 97 H 9.07 4.64 0.00 3.38 3.54 0.00 5.61 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 98 G 6.32 3.34 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 0.00 99 F 6.85 5.48 0.00 3.18 3.08 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 0.00 100 E 9.41 5.02 0.00 2.13 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 2.62 2.60 0.00 101 V 8.84 4.82 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 1.09 0.00 0.00 1.19 0.00 0.00 102 Q 9.40 4.61 0.00 2.19 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.52 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 103 V 9.19 4.25 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 1.04 0.00 0.00 1.00 0.00 0.00 104 G 8.76 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 0.00 0.00 0.00 105 P 0.00 4.27 0.00 1.19 1.73 0.00 2.20 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 1.11 0.00 106 M 7.51 4.78 0.00 2.06 1.86 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.56 0.00 107 K 8.53 5.17 0.00 1.71 1.78 0.00 1.82 0.00 0.00 2.01 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.42 7.81 108 V 9.08 4.52 2.15 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 1.05 0.00 0.00 1.02 0.00 0.00 109 F 9.23 4.77 0.00 3.14 2.92 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 0.00 110 V 7.49 4.87 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 0.00 0.00 0.34 0.00 0.00 0.62 0.00 0.00 111 T 7.86 4.13 4.31 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 1.38 0.00 0.00 112 K 8.53 3.59 0.00 1.74 1.71 0.00 1.80 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.37 1.54 7.81 113 H 7.50 4.52 0.00 2.98 3.35 0.00 5.87 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 L 8.03 4.71 0.00 1.53 1.55 0.94 0.93 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 0.00 115 M 7.34 4.94 0.00 1.86 2.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.12 0.00 116 P 0.00 4.24 0.00 1.96 2.02 0.00 3.72 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.22 0.00 117 Q 9.04 4.09 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 7.01 0.00 0.00 0.00 0.00 0.00 2.47 2.31 0.00 118 D 8.13 4.55 0.00 2.84 2.92 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 0.00 119 L 7.65 5.22 0.00 1.70 1.79 1.02 0.97 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 0.00 120 T 8.80 5.08 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 1.31 0.00 0.00 121 F 8.73 3.47 0.00 2.55 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 0.00 122 N 6.56 4.42 0.00 2.43 2.39 0.00 0.00 6.92 7.53 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 0.00 123 A 5.96 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *129 S 8.78 4.64 0.00 4.20 4.07 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 0.00 130 Y 8.64 4.99 0.00 3.07 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 0.00 131 Q 9.25 5.21 0.00 1.92 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.55 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 132 S 8.77 5.26 0.00 3.88 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 0.00 133 S 8.51 4.51 0.00 4.02 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 0.00 134 E 7.02 4.57 0.00 2.04 1.86 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 2.04 2.18 0.00 135 D 7.56 4.48 0.00 2.75 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 0.00 136 V 7.99 4.62 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 0.79 0.00 0.00 0.93 0.00 0.00 137 I 8.73 4.38 1.84 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 1.09 0.43 0.18 0.00 0.00 138 T 7.99 4.74 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 1.22 0.00 0.00 139 I 8.27 4.09 1.88 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 1.46 0.50 0.98 0.00 0.00 140 K 8.73 4.02 0.00 1.92 1.99 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.50 7.81 141 S 7.78 4.31 0.00 4.07 3.57 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 0.00 142 R 8.48 4.87 0.00 1.80 1.95 0.00 3.15 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 143 I 8.99 5.00 1.81 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.72 0.99 0.00 0.00 144 R 8.95 5.02 0.00 2.02 1.83 0.00 3.28 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 145 V 9.06 4.91 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 1.03 0.00 0.00 1.03 0.00 0.00 146 K 8.59 4.97 0.00 1.91 1.65 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.42 7.81 147 I 8.97 4.41 2.05 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.81 0.98 0.00 0.00 148 E 9.30 4.47 0.00 1.79 1.99 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 2.42 2.37 0.00 149 G 7.66 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 0.00 0.00 0.00 0.00 150 C 8.63 5.45 0.00 2.73 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 0.00 151 I 9.13 4.56 1.91 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 1.27 0.86 0.89 0.00 0.00 152 S 8.72 5.03 0.00 3.77 3.77 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 0.00 153 Q 8.79 4.42 0.00 1.98 2.07 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 2.36 2.52 0.00 154 V 8.53 3.69 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 0.97 0.00 0.00 0.91 0.00 0.00 155 S 7.59 4.90 0.00 3.82 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 0.00 156 S 7.62 4.56 0.00 3.73 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 0.00 157 I 8.05 5.10 1.87 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.85 0.81 0.00 0.00 158 H 9.62 5.16 0.00 3.02 3.21 0.00 5.56 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 0.00 159 A 8.61 5.26 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 0.00 160 I 8.85 4.93 1.89 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 0.96 1.00 0.00 0.00 161 G 9.21 4.63 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 0.00 0.00 0.00 162 S 8.83 5.14 0.00 3.95 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 0.00 163 I 8.31 4.67 1.92 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.71 1.02 0.00 0.00 164 K 8.43 4.07 0.00 1.76 1.90 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.79 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.52 7.81 165 E 7.93 4.20 0.00 2.03 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 2.41 2.30 0.00 166 D 8.28 4.17 0.00 2.63 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 0.00 0.00 0.00 167 Y 8.11 3.75 0.00 3.18 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 L 7.36 4.70 0.00 1.77 1.75 1.01 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 0.00 169 G 9.45 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 0.00 170 A 8.23 3.90 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 0.00 171 I 8.57 3.55 1.89 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 1.16 0.45 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.