NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 L 4.3004 8.1849 122.5267 54.9436 43.9501 177.0076 9 Q 4.1901 8.0403 116.3221 53.2974 29.7538 173.5999 10 S 4.7060 8.3219 111.0823 57.7182 65.7666 173.3238 11 Q 4.6616 7.4995 121.8625 54.0960 31.0368 174.5620 12 F 4.8413 8.7300 124.2677 55.7885 43.2491 174.5419 13 F 4.7698 9.4171 120.7629 55.7006 41.5024 176.3918 14 I 3.5979 8.7140 119.1882 64.9216 37.1108 177.4423 15 E 4.0602 8.1505 118.0406 59.6198 29.5054 178.4711 16 H 4.8733 8.5810 116.7236 58.9313 28.8391 177.8899 17 I 3.9660 7.9261 121.2926 64.4831 36.7916 178.2918 18 L 4.0281 7.9295 118.7514 57.6119 41.5305 178.9210 19 Q 4.1509 8.0037 116.7755 56.8346 28.6046 177.0950 20 I 3.4766 7.1972 118.5528 62.4842 38.8518 176.0777 21 L 4.1847 7.6325 119.5166 53.6463 42.0691 175.7838 22 P 4.3157 0.0000 0.0000 65.0009 31.9667 176.6812 23 H 4.1371 8.0511 115.6816 56.3412 29.1510 174.2020 24 R 4.7250 8.0628 119.9418 54.2193 34.3990 173.6963 25 Y 4.2778 8.6200 119.9675 57.8696 39.0337 174.3358 26 P 3.9641 0.0000 0.0000 63.1091 31.8299 175.5826 27 M 4.5332 8.6708 115.6969 55.8670 33.2961 175.8707 28 L 4.5537 7.8865 121.6386 53.9994 41.5780 175.9450 29 L 4.8049 9.0812 129.1921 54.3144 42.2896 177.1293 30 V 4.4872 7.6877 117.5118 61.4381 33.9597 174.2292 31 D 4.6616 8.5651 126.9272 55.8768 42.2327 176.8492 32 R 4.4473 7.0565 115.9451 55.0864 33.8483 173.5421 33 I 4.6746 8.6211 126.1452 59.9819 38.7660 176.2906 34 T 4.3115 8.8744 117.6266 62.6396 70.4541 174.9405 35 E 4.8931 7.8935 119.7792 54.7635 34.4706 174.5939 36 L 4.9164 8.3683 123.4924 54.4919 45.3617 174.2056 37 Q 4.6983 9.3019 125.9044 53.6320 31.6814 175.1950 38 A 4.1122 8.9119 127.2122 54.0580 18.6803 176.6519 39 N 4.5955 9.3940 118.8386 54.0792 36.5869 174.0957 40 Q 4.7698 7.8768 114.8878 56.1128 31.4364 175.6155 41 K 5.1736 7.7025 115.2880 56.0537 37.2404 174.0185 42 I 5.0540 8.8975 119.7879 59.7161 42.0744 173.5193 43 V 4.9525 8.8051 127.0509 61.2345 34.4795 174.2442 44 A 5.3217 9.2478 128.7874 51.3310 23.5794 173.5671 45 Y 4.8350 8.4611 115.6255 55.9675 42.0978 173.8371 46 K 4.8837 8.6688 120.9617 54.6180 35.4436 175.0422 47 N 4.9106 9.4319 125.5826 53.2788 39.7234 174.4907 48 I 4.5382 8.6366 124.0749 60.0167 39.3335 174.7578 49 T 4.9029 9.5813 121.3001 60.0123 70.7318 174.5642 50 F 3.8394 8.9973 127.5488 61.0938 39.7040 176.6152 51 N 4.7431 7.5849 117.6096 53.4438 38.2088 174.1486 52 E 4.8162 8.0279 115.5751 53.7123 32.9477 176.8330 53 D 4.3382 8.8592 122.0438 57.7056 41.2711 178.9688 54 V 3.4515 7.5902 112.2597 64.3580 31.1629 178.2010 55 F 4.4582 7.7161 116.7309 60.0146 38.3979 177.2521 56 N 4.3906 8.2344 116.0108 55.1200 38.3704 175.7488 57 G 4.1108 7.8112 105.7515 45.4477 0.0000 173.1183 58 H 3.8568 7.7559 119.1232 53.7730 29.9904 171.6017 59 F 5.2592 8.9640 121.4920 53.9446 43.1182 173.0072 60 P 4.4731 0.0000 0.0000 64.5964 31.2458 176.9123 61 N 4.5388 9.5574 119.0368 53.6599 36.7690 175.0276 62 K 4.5988 8.3001 119.7152 53.7490 32.5752 171.3224 63 P 4.8083 0.0000 0.0000 62.6761 32.2319 176.1841 64 I 4.8958 8.9209 125.7640 59.1952 40.5315 175.3089 65 F 4.1465 9.6910 131.3607 57.5685 39.9564 173.2746 66 P 3.6926 0.0000 0.0000 62.9299 31.8903 177.1167 67 G 3.1492 8.5616 109.8496 48.0587 0.0000 176.0706 68 V 3.7945 7.5387 114.0993 63.9086 31.4654 178.3100 69 L 4.0848 7.6091 118.5820 57.0426 41.3702 179.4082 70 I 4.1342 7.7027 120.3966 64.4679 37.0564 178.4654 71 V 3.6997 7.9847 118.6694 66.0118 31.3980 177.4227 72 E 4.2286 8.3930 119.2673 59.3835 29.5901 179.0917 73 G 3.6074 8.2039 107.2030 47.3553 0.0000 175.6868 74 M 3.6506 7.6798 120.7339 57.8197 31.9709 178.6635 75 A 3.8228 8.0901 121.0511 55.3340 18.5453 179.7817 76 Q 3.9749 8.0270 116.4928 58.9433 28.6312 179.3369 77 S 4.1647 7.6893 116.2671 61.4254 62.7884 176.8653 78 G 3.6681 8.2736 108.7437 47.6678 0.0000 175.8810 79 G 3.4454 8.4394 108.6306 47.5093 0.0000 175.5064 80 F 3.8307 8.1612 123.0870 60.7461 39.3919 177.0206 81 L 3.8904 7.9145 119.7885 57.9169 41.9623 178.6566 82 A 2.0000 8.0100 121.3562 54.3923 18.0911 179.3710 83 F 3.7891 7.9643 119.4548 61.5948 39.5041 177.4631 84 T 4.3638 7.5784 110.4870 64.1264 68.3370 176.8094 85 S 4.1452 7.4691 117.5213 61.0707 62.8367 176.2304 86 L 3.7425 6.9890 120.7125 56.5105 41.5016 177.9377 87 W 4.4555 7.3005 115.2233 55.6868 30.0702 177.9980 88 G 3.8395 7.7997 109.1309 44.9255 0.0000 173.1047 89 F 4.5332 8.7171 119.9580 57.1029 38.0474 174.8115 90 D 4.7267 7.9962 123.7987 50.4818 42.2405 173.0187 91 P 4.2418 0.0000 0.0000 64.6830 31.3525 177.9969 92 E 3.8886 8.0084 115.8011 59.1755 29.4870 179.0572 93 I 3.7286 7.5885 119.2810 64.0789 37.3392 178.1248 94 A 3.5623 7.9455 121.5166 54.7582 17.7253 179.2435 95 K 3.7198 7.7512 117.8931 59.1697 32.1877 177.2141 96 T 4.5101 7.3914 107.4548 61.1765 69.8965 174.1984 97 K 5.1369 7.9522 121.1381 55.4158 34.5243 175.2996 98 I 4.6237 8.8781 115.0778 59.3583 41.7762 173.8092 99 V 4.7751 7.9662 121.4013 61.2477 34.0369 173.9363 100 Y 4.9044 8.9345 125.2482 56.0559 40.8452 174.7280 101 F 4.4993 9.1245 126.2596 58.7547 39.8865 174.1359 102 M 4.7713 9.4882 125.7859 56.9563 33.8030 176.0581 103 T 4.8583 7.8395 106.2434 60.7150 72.9119 172.5694 104 I 5.2241 8.0816 121.8748 60.2803 41.2727 174.2424 105 D 4.6817 9.5375 125.7688 52.0218 45.8701 175.3478 106 K 4.0674 8.1194 117.2079 57.2463 29.4687 175.1397 107 V 4.3130 7.2098 118.5110 61.7220 33.4403 175.8811 108 K 4.4523 8.5704 127.9905 54.8465 35.8333 174.4260 109 F 5.1768 8.8216 125.6436 56.2609 40.0959 175.5188 110 R 4.6635 9.0839 121.8300 56.7495 32.6753 176.8051 111 I 4.6944 7.6709 117.7129 58.5385 40.8573 173.1322 112 P 4.5211 0.0000 0.0000 62.7571 32.2197 175.7187 113 V 4.6292 8.5684 123.6512 61.8162 33.5266 174.6387 114 T 5.1325 9.0650 116.9380 58.7407 72.8587 171.4820 115 P 4.5048 0.0000 0.0000 64.5396 31.5666 176.9818 116 G 4.0443 9.1522 111.4867 45.1523 0.0000 173.5320 117 D 4.5656 8.0466 120.0841 53.9142 42.6233 175.8942 118 R 4.4880 8.3743 122.7245 54.6722 31.4976 174.8739 119 L 4.3741 8.4551 130.6561 54.2561 42.9037 174.8120 120 E 4.7370 9.3762 129.8401 55.1148 31.4049 174.2366 121 Y 5.1513 9.2786 126.4919 57.3451 40.2112 174.4253 122 H 5.0635 9.6435 121.2645 54.2474 31.7701 172.4150 123 L 5.3943 8.9269 123.6680 52.8357 45.0087 175.7892 124 E 5.1480 9.2594 121.7083 54.3739 33.6399 175.2576 125 V 4.1063 9.2576 125.2989 63.1516 31.3887 175.7279 126 L 4.4146 8.8621 128.7694 55.9635 42.8990 177.2867 127 K 4.3301 7.4312 117.5809 56.0494 35.0761 173.2433 128 H 4.9167 8.2463 121.4697 54.0305 32.0589 173.2654 129 K 3.9314 8.7971 120.4672 56.5881 35.1737 175.8160 130 G 3.8180 8.1349 118.3560 47.4781 0.0000 175.4252 131 M 4.3678 8.7219 125.5919 56.1624 32.4621 175.0065 132 I 4.8960 7.7365 121.1366 59.9912 38.7255 174.6795 133 W 4.8596 9.2312 127.9934 54.7966 31.8335 174.8896 134 Q 5.0273 9.7163 127.9059 54.7157 29.8895 174.4624 135 V 5.0212 9.1049 127.0995 60.2132 34.8283 174.9525 136 G 4.3698 8.6762 107.9492 44.7914 0.0000 173.2820 137 G 4.7988 8.2262 107.7015 45.9589 0.0000 171.2986 138 T 5.3372 7.7981 110.8654 60.2100 73.3244 172.7568 139 A 5.4060 9.1650 123.4104 50.4078 21.9141 175.5408 140 Q 5.0632 9.5004 119.7966 54.1668 33.9389 174.4738 141 V 4.5658 8.2456 120.9209 60.3023 34.6054 175.1060 142 D 4.4756 9.6194 128.5240 55.3785 39.2658 174.1850 143 G 3.9412 7.9554 103.9463 45.8435 0.0000 172.9439 144 K 4.4843 7.6008 119.5956 54.2767 33.9774 175.9398 145 V 4.1611 8.2845 122.6562 62.9700 31.7972 175.8582 146 V 4.3487 8.8686 127.4816 62.8787 33.4881 175.4618 147 A 5.1361 7.6205 120.5867 51.0856 22.5668 174.8546 148 E 5.1625 8.7026 116.6567 54.9540 33.3495 174.3607 149 A 4.9888 8.8579 122.1154 51.1072 23.6225 174.5501 150 E 5.1458 8.8196 119.7239 54.4053 33.1007 174.6496 151 L 5.1881 9.3287 125.6014 54.5306 44.7364 174.1310 152 K 5.2046 9.2160 121.2436 54.7755 35.1015 174.7738 153 A 5.2544 9.1292 128.2463 50.2604 23.0761 174.0126 154 M 5.3376 9.3301 119.1573 53.8612 35.2376 174.6783 155 I 4.8068 8.6724 126.9362 60.8061 38.5711 175.1264 156 A 4.9121 9.0088 126.8230 50.4227 23.2364 174.6848 157 E 4.6844 8.7610 119.1228 55.3526 30.7015 176.9679 158 R 3.8061 9.1701 126.8000 57.3633 30.7724 177.4547 *159 E 4.1387 8.7774 118.8507 56.1615 30.4792 172.1550 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 8 L 8.18 4.30 0.00 1.73 1.85 0.97 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 8.04 4.19 0.00 1.72 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.71 0.00 0.00 0.00 0.00 0.00 2.22 2.05 0.00 10 S 8.32 4.71 0.00 3.93 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 11 Q 7.50 4.66 0.00 1.88 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.74 0.00 0.00 0.00 0.00 0.00 2.23 2.19 0.00 12 F 8.73 4.84 0.00 2.80 2.91 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 0.00 0.00 0.00 13 F 9.42 4.77 0.00 3.21 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 14 I 8.71 3.60 2.00 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 1.66 1.25 0.96 0.00 0.00 15 E 8.15 4.06 0.00 1.88 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 2.29 2.46 0.00 16 H 8.58 4.87 0.00 3.69 3.90 0.00 5.82 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.93 3.97 2.03 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 0.68 0.90 0.00 0.00 18 L 7.93 4.03 0.00 1.84 1.75 0.94 0.80 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 19 Q 8.00 4.15 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.60 0.00 0.00 0.00 0.00 0.00 2.40 2.76 0.00 20 I 7.20 3.48 1.74 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 1.45 0.30 0.08 0.00 0.00 21 L 7.63 4.18 0.00 1.65 1.63 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.32 0.00 2.01 2.21 0.00 3.75 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.81 0.00 23 H 8.05 4.14 0.00 3.09 3.34 0.00 5.84 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 R 8.06 4.73 0.00 1.78 1.82 0.00 3.32 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.54 0.00 25 Y 8.62 4.28 0.00 2.96 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 26 P 0.00 3.96 0.00 1.62 0.65 0.00 3.62 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 27 M 8.67 4.53 0.00 1.92 2.02 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 2.47 2.47 0.00 28 L 7.89 4.55 0.00 1.64 1.64 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 29 L 9.08 4.80 0.00 1.66 1.83 1.03 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.69 4.49 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 0.74 0.00 0.00 0.87 0.00 0.00 31 D 8.57 4.66 0.00 2.39 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.06 4.45 0.00 1.41 0.77 0.00 3.22 0.00 0.00 3.07 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.26 0.00 33 I 8.62 4.67 2.02 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.19 0.98 0.00 0.00 34 T 8.87 4.31 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 1.37 0.00 0.00 35 E 7.89 4.89 0.00 1.90 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 0.00 2.30 2.30 0.00 36 L 8.37 4.92 0.00 1.83 1.75 1.09 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 9.30 4.70 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.69 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 38 A 8.91 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 39 N 9.39 4.60 0.00 2.92 3.02 0.00 0.00 6.83 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 40 Q 7.88 4.77 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.61 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 41 K 7.70 5.17 0.00 1.92 1.92 0.00 1.54 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.49 7.81 42 I 8.90 5.05 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 1.14 1.50 0.96 0.00 0.00 43 V 8.81 4.95 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 0.88 0.00 0.00 0.99 0.00 0.00 44 A 9.25 5.32 1.23 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 0.00 0.00 0.00 45 Y 8.46 4.84 0.00 2.87 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 46 K 8.67 4.88 0.00 2.07 1.55 0.00 1.93 0.00 0.00 1.45 0.00 0.00 2.90 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.25 1.46 7.81 47 N 9.43 4.91 0.00 2.69 2.77 0.00 0.00 6.96 8.25 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 48 I 8.64 4.54 2.01 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.71 1.06 0.00 0.00 49 T 9.58 4.90 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 50 F 9.00 3.84 0.00 2.88 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 51 N 7.58 4.74 0.00 2.91 2.88 0.00 0.00 7.01 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 52 E 8.03 4.82 0.00 2.18 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 2.39 2.62 0.00 53 D 8.86 4.34 0.00 2.84 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 54 V 7.59 3.45 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 0.62 0.00 0.00 0.23 0.00 0.00 55 F 7.72 4.46 0.00 3.02 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 56 N 8.23 4.39 0.00 2.84 2.89 0.00 0.00 6.71 7.04 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 57 G 7.81 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 58 H 7.76 3.86 0.00 2.79 2.74 0.00 5.53 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 F 8.96 5.26 0.00 3.09 2.86 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 60 P 0.00 4.47 0.00 2.12 2.10 0.00 3.96 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.41 0.00 61 N 9.56 4.54 0.00 2.95 3.03 0.00 0.00 6.82 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.30 4.60 0.00 1.82 1.80 0.00 1.59 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.60 7.81 63 P 0.00 4.81 0.00 1.83 1.58 0.00 3.73 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.39 0.00 64 I 8.92 4.90 2.02 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.93 1.06 0.00 0.00 65 F 9.69 4.15 0.00 3.16 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 66 P 0.00 3.69 0.00 1.61 1.47 0.00 2.37 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.22 0.00 67 G 8.56 3.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 V 7.54 3.79 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 0.82 0.00 0.00 0.77 0.00 0.00 69 L 7.61 4.08 0.00 1.04 1.39 0.43 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 70 I 7.70 4.13 2.42 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.08 1.23 0.00 0.00 71 V 7.98 3.70 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 1.24 0.00 0.00 1.13 0.00 0.00 72 E 8.39 4.23 0.00 2.29 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 0.00 2.33 2.38 0.00 73 G 8.20 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 M 7.68 3.65 0.00 2.10 2.27 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.74 0.00 75 A 8.09 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 8.03 3.97 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.76 0.00 0.00 0.00 0.00 0.00 1.84 2.27 0.00 77 S 7.69 4.16 0.00 3.99 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 78 G 8.27 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 79 G 8.44 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 0.00 0.00 0.00 80 F 8.16 3.83 0.00 3.10 3.11 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 81 L 7.91 3.89 0.00 1.86 1.80 1.05 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 82 A 8.01 2.00 0.16 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 0.00 0.00 83 F 7.96 3.79 0.00 3.07 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 84 T 7.58 4.36 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 85 S 7.47 4.15 0.00 3.80 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 86 L 6.99 3.74 0.00 0.63 0.13 0.43 0.85 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 87 W 7.30 4.46 0.00 2.78 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 88 G 7.80 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 89 F 8.72 4.53 0.00 3.17 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 90 D 8.00 4.73 0.00 2.95 2.60 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 91 P 0.00 4.24 0.00 2.11 1.93 0.00 3.86 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.36 0.00 92 E 8.01 3.89 0.00 1.88 1.96 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 2.29 2.32 0.00 93 I 7.59 3.73 1.87 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.71 -0.11 0.00 0.00 94 A 7.95 3.56 0.58 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 0.00 0.00 95 K 7.75 3.72 0.00 1.78 1.90 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.39 7.81 96 T 7.39 4.51 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 1.14 0.00 0.00 97 K 7.95 5.14 0.00 1.58 1.77 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.65 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.55 7.81 98 I 8.88 4.62 1.52 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.46 0.76 0.00 0.00 99 V 7.97 4.78 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 0.76 0.00 0.00 0.87 0.00 0.00 100 Y 8.93 4.90 0.00 2.93 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 F 9.12 4.50 0.00 3.18 2.91 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 0.00 0.00 0.00 102 M 9.49 4.77 0.00 1.96 2.32 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.52 0.00 103 T 7.84 4.86 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 1.26 0.00 0.00 104 I 8.08 5.22 1.80 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 1.24 0.37 0.94 0.00 0.00 105 D 9.54 4.68 0.00 2.58 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 0.00 106 K 8.12 4.07 0.00 1.81 1.88 0.00 1.87 0.00 0.00 1.63 0.00 0.00 2.76 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.40 7.81 107 V 7.21 4.31 1.96 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 0.18 0.00 0.00 0.87 0.00 0.00 108 K 8.57 4.45 0.00 1.75 1.48 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.41 7.81 109 F 8.82 5.18 0.00 3.00 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 0.00 110 R 9.08 4.66 0.00 1.72 1.98 0.00 3.27 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 111 I 7.67 4.69 1.94 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.65 0.96 0.00 0.00 112 P 0.00 4.52 0.00 2.01 2.07 0.00 3.72 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 113 V 8.57 4.63 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 1.09 0.00 0.00 1.07 0.00 0.00 114 T 9.07 5.13 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 1.28 0.00 0.00 115 P 0.00 4.50 0.00 1.97 2.09 0.00 3.51 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.08 0.00 116 G 9.15 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 0.00 117 D 8.05 4.57 0.00 2.77 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.37 4.49 0.00 1.76 1.69 0.00 2.86 0.00 0.00 2.97 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.40 0.00 119 L 8.46 4.37 0.00 1.66 1.43 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 120 E 9.38 4.74 0.00 1.96 1.90 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 2.18 2.35 0.00 121 Y 9.28 5.15 0.00 2.94 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 0.00 122 H 9.64 5.06 0.00 3.06 3.26 0.00 5.56 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 0.00 123 L 8.93 5.39 0.00 1.59 1.58 0.97 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 124 E 9.26 5.15 0.00 2.01 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 0.00 2.26 2.28 0.00 125 V 9.26 4.11 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 0.84 0.00 0.00 1.30 0.00 0.00 126 L 8.86 4.41 0.00 1.69 1.71 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 127 K 7.43 4.33 0.00 1.73 1.55 0.00 1.60 0.00 0.00 1.82 0.00 0.00 2.80 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.12 1.10 7.81 128 H 8.25 4.92 0.00 1.40 1.99 0.00 5.82 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 K 8.80 3.93 0.00 1.58 1.53 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.84 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.26 1.25 7.81 130 G 8.13 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 0.00 0.00 0.00 131 M 8.72 4.37 0.00 2.46 2.22 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 2.85 2.60 0.00 132 I 7.74 4.90 1.86 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.69 0.95 0.00 0.00 133 W 9.23 4.86 0.00 3.27 3.20 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 0.00 134 Q 9.72 5.03 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.71 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 135 V 9.10 5.02 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 0.79 0.00 0.00 1.10 0.00 0.00 136 G 8.68 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 0.00 0.00 0.00 0.00 137 G 8.23 4.80 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 0.00 0.00 0.00 138 T 7.80 5.34 4.39 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 1.23 0.00 0.00 139 A 9.16 5.41 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 0.00 140 Q 9.50 5.06 0.00 1.95 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.71 0.00 0.00 0.00 0.00 0.00 2.38 2.28 0.00 141 V 8.25 4.57 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 1.15 0.00 0.00 0.93 0.00 0.00 142 D 9.62 4.48 0.00 2.73 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 G 7.96 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 0.00 0.00 0.00 144 K 7.60 4.48 0.00 1.97 1.72 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.35 7.81 145 V 8.28 4.16 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 0.87 0.00 0.00 0.93 0.00 0.00 146 V 8.87 4.35 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 0.86 0.00 0.00 1.09 0.00 0.00 147 A 7.62 5.14 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 0.00 148 E 8.70 5.16 0.00 1.99 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 2.27 2.18 0.00 149 A 8.86 4.99 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 0.00 150 E 8.82 5.15 0.00 2.12 1.85 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 2.22 2.25 0.00 151 L 9.33 5.19 0.00 2.24 1.94 0.80 0.63 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 0.00 152 K 9.22 5.20 0.00 1.90 1.75 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.39 1.57 7.81 153 A 9.13 5.25 1.05 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 0.00 0.00 154 M 9.33 5.34 0.00 2.16 1.98 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.64 0.00 155 I 8.67 4.81 2.05 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 1.22 0.70 1.21 0.00 0.00 156 A 9.01 4.91 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.76 4.68 0.00 1.90 1.90 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 2.29 2.29 0.00 158 R 9.17 3.81 0.00 1.69 1.88 0.00 3.14 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 *159 E 8.78 4.14 0.00 1.77 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 2.15 2.62 0.00 * Residues marked with a * may have inaccurate shift predictions.