NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6742 8.1633 120.6134 55.5862 33.8795 174.2400 2 N 5.0596 9.8196 123.1253 51.0286 42.8545 168.9964 3 V 4.6249 8.8102 120.0508 62.3832 34.9576 172.5230 4 L 4.1275 8.5612 132.3912 53.5265 42.9775 175.5935 5 V 4.1233 8.1306 127.8598 61.7290 32.5583 176.2297 6 I 4.3106 7.9397 131.3001 61.0506 37.3972 175.9550 7 E 4.2337 8.2961 122.3179 55.9851 30.3536 175.3621 8 D 4.8381 8.5324 122.6306 52.1626 40.0353 175.3001 9 D 4.7750 7.7252 120.2630 52.4845 42.4065 176.0940 10 K 3.8106 8.9228 129.0135 60.0242 32.6318 178.6669 11 V 3.5603 8.1036 117.2231 66.0298 31.5770 177.7019 12 F 4.1237 8.9791 120.7836 61.1169 39.0749 176.8170 13 R 3.8559 8.4638 117.5936 60.2587 30.0442 177.9453 14 G 3.6411 8.6224 105.3836 47.1504 0.0000 175.0641 15 L 3.6589 8.2576 121.6795 57.4954 42.4881 179.8746 16 L 3.8254 8.1031 119.2146 57.4221 41.5873 179.2730 17 E 3.8953 8.7427 119.2667 59.5341 29.3127 178.9738 18 E 4.0304 8.1417 117.3707 59.0938 29.7337 177.8593 19 Y 4.2176 7.7305 119.6072 60.3873 38.9303 177.3378 20 L 3.9333 8.0393 119.2268 57.0757 41.4904 179.7833 21 S 3.9282 7.7978 115.7031 61.9453 62.7367 176.0875 22 M 3.8207 7.1952 119.5640 58.5386 31.6886 178.7133 23 K 4.0237 7.5813 118.5574 59.4294 33.9242 176.6939 24 G 4.2585 7.5727 108.1149 45.6003 0.0000 172.7066 25 I 4.5751 7.5511 119.7686 59.8999 42.3999 176.7267 26 K 4.2443 8.6336 124.9494 56.6724 31.7147 175.8605 27 V 4.7912 8.1345 117.8947 59.8607 34.0192 175.8356 28 E 4.6146 8.9165 123.7841 54.8745 33.3354 176.2561 29 S 4.6928 9.1282 120.2719 59.5671 63.3662 173.6280 30 A 4.7731 8.0055 122.7971 52.3211 20.1816 175.9708 31 E 4.1100 8.3018 122.0112 59.7249 30.3579 177.2223 32 R 4.8039 7.4562 116.2242 54.1632 33.4806 175.1553 33 G 4.0582 8.6711 105.6874 47.9580 0.0000 175.9134 34 K 4.0522 8.0145 120.6708 58.8083 32.3175 178.8219 35 E 3.9126 8.3004 118.0881 59.8227 29.4712 179.5347 36 A 3.9292 7.5182 119.1566 55.3319 18.1971 179.1740 37 Y 3.9282 7.8387 114.7740 60.9867 37.9966 178.7591 38 K 4.0773 8.7916 120.9680 59.5069 32.4707 178.8061 39 L 3.7469 7.8732 118.7779 57.7887 41.3788 179.2264 40 L 4.5771 7.7808 116.7886 56.2976 42.0007 177.9061 41 S 4.7868 8.7662 112.0081 58.6339 62.6319 173.7246 42 E 4.4759 8.0131 118.5049 58.1490 30.8117 175.5744 43 K 4.5545 8.0423 114.5194 54.5321 35.5003 174.7739 44 H 4.8720 8.3400 118.7863 54.6285 31.1817 172.5908 45 F 4.8040 8.7193 125.5159 55.7627 41.0140 175.6614 46 N 4.4971 8.9105 122.5533 56.0901 39.2498 174.7136 47 V 4.9490 7.7862 118.3385 60.9609 34.9468 173.9432 48 V 4.6384 9.0365 126.6361 61.2336 34.6792 174.6951 49 L 5.1769 8.5348 128.6585 52.8012 41.1535 176.8013 50 L 4.1984 7.5310 125.9025 54.6149 45.1873 175.0920 *52 L 4.1449 8.6671 117.1708 54.8111 44.0365 177.9752 53 L 4.2958 7.8743 126.8038 53.5388 41.5726 175.4857 54 L 4.7990 7.5654 125.7065 52.0702 43.8225 175.8269 55 P 4.3523 0.0000 0.0000 66.2343 31.5064 177.7330 56 D 4.3791 8.1012 119.2474 54.8091 40.1545 176.1551 57 V 4.4892 7.3974 119.5600 60.1731 34.0422 174.2473 58 N 4.7828 8.9146 121.7121 52.6957 37.8707 177.7508 59 G 3.7118 8.7267 111.5598 46.4443 0.0000 173.7988 60 L 4.0331 8.0148 121.1335 57.6728 41.5748 179.1203 61 E 4.1245 8.6225 118.4899 59.8872 29.4534 179.6586 62 I 3.6923 7.7075 118.7915 64.3693 36.9368 177.9395 63 L 4.0256 7.9592 120.1299 58.2397 42.1975 178.3903 64 K 3.9965 8.8860 120.2262 59.7366 32.0779 177.8162 65 W 4.1971 8.9366 127.9584 61.2589 30.5513 177.8119 66 I 3.9426 9.0272 119.9088 64.4946 36.4469 178.4791 67 K 4.0512 7.8795 118.2199 59.0754 32.4081 178.6822 68 E 4.0001 8.0296 117.3093 58.8909 29.6161 177.6001 69 R 4.0133 7.6836 118.9503 56.5180 31.5683 176.7067 70 S 4.6067 7.8251 115.3319 55.1507 62.7644 172.9570 71 P 4.4790 0.0000 0.0000 64.5071 30.8696 177.5171 72 E 4.4914 8.1090 116.3668 56.8580 30.8854 175.9594 73 T 4.4281 7.8599 117.1464 63.2208 69.3234 174.0477 74 E 4.3655 9.1620 127.4390 55.7802 31.1961 175.7586 75 V 4.8242 8.4792 123.7667 61.2926 34.4217 174.3713 76 I 4.9054 8.9456 128.3290 59.3149 39.8792 174.8927 77 V 4.6318 8.2079 128.2412 62.1217 32.2124 174.4530 78 I 4.6512 8.0903 128.5864 59.4498 40.0346 174.1931 79 T 4.4700 8.8163 123.0527 61.0421 71.3469 173.8328 80 G 3.9980 8.5697 110.2624 45.4202 0.0000 172.9808 81 H 4.9658 8.3559 117.0887 54.8874 29.3068 174.1338 82 G 4.3257 7.8663 107.2375 44.6855 0.0000 173.7330 83 T 4.6586 8.0393 114.8112 59.1427 71.8702 174.7724 84 I 3.5402 8.4382 127.6512 64.5345 37.1235 178.4969 85 K 3.8127 7.8970 119.5945 59.7984 32.0576 178.4768 86 T 3.7391 7.8827 115.1517 66.6893 68.3220 175.8677 87 A 2.5800 7.4886 122.1816 54.8405 18.0589 179.6615 88 V 3.3793 7.7576 115.2949 66.2158 31.7419 177.5773 89 E 3.9563 8.5900 119.0206 58.9757 29.5677 178.2790 90 A 4.0162 8.6496 121.8786 55.7181 18.3989 179.3150 91 M 3.9788 8.1836 117.0628 58.6027 31.9642 178.8388 92 K 4.1324 7.7518 116.8466 58.5677 32.3581 177.4039 93 M 4.5352 8.8645 117.1375 54.9742 33.0555 177.3405 94 G 4.7668 7.7821 117.2840 46.8623 0.0000 172.9816 95 A 4.0610 7.5695 121.4919 51.2126 18.9318 176.4809 96 Y 4.5311 9.1851 125.8095 60.5577 39.1582 174.8900 97 D 4.6330 7.9161 116.4007 53.0184 45.7670 173.8337 98 F 4.9059 8.5443 122.1294 56.5974 40.8344 173.1088 99 L 4.6732 8.7673 126.1499 53.6010 43.5579 175.6622 100 T 4.9768 8.2645 112.1069 59.9939 70.9579 173.8634 101 K 4.3220 8.7887 124.8870 54.6447 32.9773 175.4109 102 P 4.3046 0.0000 0.0000 63.0422 32.1080 175.6189 103 C 4.4620 8.0181 118.6209 57.4067 34.1734 174.2431 104 M 4.1942 8.5823 127.2478 55.1246 33.4787 177.1488 105 L 3.7477 8.3146 122.7344 57.9592 41.7426 179.5218 106 E 4.0972 8.0943 117.8445 59.7323 29.4374 179.0303 107 E 3.9977 8.1340 118.3870 59.3344 29.5114 178.7456 108 I 3.7401 7.5055 118.8877 64.5575 37.3010 177.4120 109 E 4.0594 9.0909 120.8011 59.4898 29.4345 178.3420 110 L 3.7574 8.7410 120.3794 58.7492 41.9532 178.7327 111 T 4.2871 7.8829 112.2872 64.5268 68.6613 175.5375 112 I 4.2960 8.7135 124.1772 63.1010 38.1867 177.4978 113 N 4.3488 8.0822 116.7687 56.4745 38.1861 177.4436 114 K 4.1318 8.2527 118.9094 58.8255 31.8213 179.1505 115 A 3.1883 7.8415 120.9559 54.5347 18.6664 179.3851 116 I 3.8018 7.5420 117.8533 64.2302 37.5653 177.6140 117 E 3.8831 8.1706 120.2875 59.9883 28.9783 178.5662 118 H 4.2453 7.8666 116.9538 58.3830 29.7000 176.1621 119 R 4.0889 7.8855 118.7590 56.7700 30.2552 176.4702 120 K 4.3374 7.2238 117.4778 58.4921 34.5041 176.5727 121 L 4.5115 7.3636 117.6317 53.6910 39.0498 175.5682 122 R 4.6606 7.2456 119.6928 57.2622 37.7400 178.2195 123 K 4.0503 8.6489 117.4282 59.3639 32.2082 178.4453 124 E 4.0916 8.1825 117.1600 58.3752 29.7834 176.5152 125 N 4.5602 7.5531 119.5439 53.2387 38.8147 174.4257 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 4.67 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.61 0.00 2 N 9.82 5.06 0.00 2.95 2.92 0.00 0.00 6.12 6.80 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 3 V 8.81 4.62 2.13 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 0.85 0.00 0.00 0.97 0.00 0.00 4 L 8.56 4.13 0.00 0.27 0.80 0.57 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.13 4.12 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 0.84 0.00 0.00 0.87 0.00 0.00 6 I 7.94 4.31 1.77 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.59 0.78 0.00 0.00 7 E 8.30 4.23 0.00 2.01 1.89 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 2.51 2.55 0.00 8 D 8.53 4.84 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 9 D 7.73 4.78 0.00 2.77 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 10 K 8.92 3.81 0.00 1.83 1.84 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.47 7.81 11 V 8.10 3.56 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 1.03 0.00 0.00 0.95 0.00 0.00 12 F 8.98 4.12 0.00 3.21 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 13 R 8.46 3.86 0.00 1.84 2.07 0.00 3.31 0.00 0.00 3.51 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 14 G 8.62 3.64 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 0.00 0.00 0.00 15 L 8.26 3.66 0.00 2.02 1.55 0.85 0.71 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 16 L 8.10 3.83 0.00 1.64 1.50 0.77 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.74 3.90 0.00 2.06 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 2.30 2.49 0.00 18 E 8.14 4.03 0.00 1.95 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 2.32 2.38 0.00 19 Y 7.73 4.22 0.00 3.09 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 20 L 8.04 3.93 0.00 1.80 1.70 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 21 S 7.80 3.93 0.00 3.79 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 22 M 7.20 3.82 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.52 0.00 23 K 7.58 4.02 0.00 1.51 1.90 0.00 1.58 0.00 0.00 1.92 0.00 0.00 3.15 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.51 7.81 24 G 7.57 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.55 4.58 2.02 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 1.22 0.53 0.93 0.00 0.00 26 K 8.63 4.24 0.00 1.78 1.81 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.42 7.81 27 V 8.13 4.79 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 0.75 0.00 0.00 0.98 0.00 0.00 28 E 8.92 4.61 0.00 2.11 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 2.31 2.39 0.00 29 S 9.13 4.69 0.00 3.95 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 30 A 8.01 4.77 1.20 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 31 E 8.30 4.11 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 32 R 7.46 4.80 0.00 1.79 2.00 0.00 3.12 0.00 0.00 3.33 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 33 G 8.67 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 34 K 8.01 4.05 0.00 1.82 1.90 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.59 1.58 7.81 35 E 8.30 3.91 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 36 A 7.52 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 7.84 3.93 0.00 2.86 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 38 K 8.79 4.08 0.00 1.79 1.95 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.50 7.81 39 L 7.87 3.75 0.00 1.89 2.05 1.02 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.78 4.58 0.00 1.78 2.19 0.99 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.77 4.79 0.00 4.11 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.01 4.48 0.00 2.05 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 2.27 2.59 0.00 43 K 8.04 4.55 0.00 1.32 1.38 0.00 1.58 0.00 0.00 1.50 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.28 1.30 7.81 44 H 8.34 4.87 0.00 3.02 3.14 0.00 5.90 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.72 4.80 0.00 2.95 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 46 N 8.91 4.50 0.00 2.88 2.87 0.00 0.00 6.50 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 7.79 4.95 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 0.98 0.00 0.00 0.95 0.00 0.00 48 V 9.04 4.64 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 0.70 0.00 0.00 0.90 0.00 0.00 49 L 8.53 5.18 0.00 1.64 1.59 0.94 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 50 L 7.53 4.20 0.00 1.73 1.55 0.84 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 *52 L 8.67 4.14 0.00 1.69 1.69 1.00 0.51 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 53 L 7.87 4.30 0.00 1.62 1.60 0.88 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 54 L 7.57 4.80 0.00 2.00 1.53 0.82 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.35 0.00 2.16 2.17 0.00 3.73 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 56 D 8.10 4.38 0.00 2.86 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 7.40 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 1.02 0.00 0.00 1.01 0.00 0.00 58 N 8.91 4.78 0.00 2.89 2.94 0.00 0.00 7.49 7.81 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 59 G 8.73 3.71 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 0.00 0.00 0.00 60 L 8.01 4.03 0.00 1.72 1.82 1.05 1.04 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 61 E 8.62 4.12 0.00 2.10 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 0.00 2.42 2.56 0.00 62 I 7.71 3.69 1.90 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.40 0.63 0.00 0.00 63 L 7.96 4.03 0.00 1.66 1.94 1.00 0.90 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 64 K 8.89 4.00 0.00 1.99 2.13 0.00 1.83 0.00 0.00 1.63 0.00 0.00 3.27 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.69 7.81 65 W 8.94 4.20 0.00 3.82 3.64 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 66 I 9.03 3.94 2.02 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.78 1.04 0.00 0.00 67 K 7.88 4.05 0.00 1.94 1.88 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.62 1.63 7.81 68 E 8.03 4.00 0.00 1.91 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 2.18 2.30 0.00 69 R 7.68 4.01 0.00 1.21 1.42 0.00 2.74 0.00 0.00 2.25 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.18 0.00 70 S 7.83 4.61 0.00 4.29 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 71 P 0.00 4.48 0.00 2.20 2.34 0.00 3.80 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 72 E 8.11 4.49 0.00 2.11 2.10 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 2.34 2.42 0.00 73 T 7.86 4.43 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 74 E 9.16 4.37 0.00 1.86 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 2.25 2.36 0.00 75 V 8.48 4.82 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 1.00 0.00 0.00 76 I 8.95 4.91 1.91 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 1.23 1.36 0.93 0.00 0.00 77 V 8.21 4.63 1.69 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 0.81 0.00 0.00 1.01 0.00 0.00 78 I 8.09 4.65 1.81 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.29 0.97 0.00 0.00 79 T 8.82 4.47 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 0.86 0.00 0.00 80 G 8.57 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 81 H 8.36 4.97 0.00 3.10 3.24 0.00 5.65 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 82 G 7.87 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.04 4.66 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 84 I 8.44 3.54 1.83 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 1.48 0.46 0.85 0.00 0.00 85 K 7.90 3.81 0.00 1.78 1.77 0.00 1.72 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.50 7.81 86 T 7.88 3.74 4.40 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 1.37 0.00 0.00 87 A 7.49 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 V 7.76 3.38 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 0.77 0.00 0.00 0.87 0.00 0.00 89 E 8.59 3.96 0.00 2.06 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 2.31 2.32 0.00 90 A 8.65 4.02 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.18 3.98 0.00 2.00 2.27 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 2.56 2.87 0.00 92 K 7.75 4.13 0.00 1.83 2.00 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.53 7.81 93 M 8.86 4.54 0.00 2.08 2.28 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 2.68 2.56 0.00 94 G 7.78 4.77 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 0.00 0.00 0.00 95 A 7.57 4.06 1.47 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 0.00 0.00 96 Y 9.19 4.53 0.00 2.85 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 97 D 7.92 4.63 0.00 2.39 2.39 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 98 F 8.54 4.91 0.00 2.97 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 99 L 8.77 4.67 0.00 1.56 1.50 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 100 T 8.26 4.98 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 1.27 0.00 0.00 101 K 8.79 4.32 0.00 1.40 1.50 0.00 1.32 0.00 0.00 1.59 0.00 0.00 2.74 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.82 1.12 7.81 102 P 0.00 4.30 0.00 2.13 1.99 0.00 3.73 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.91 0.00 103 C 8.02 4.46 0.00 3.12 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 0.00 104 M 8.58 4.19 0.00 2.24 1.95 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.61 0.00 105 L 8.31 3.75 0.00 0.96 0.32 0.60 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 106 E 8.09 4.10 0.00 2.06 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 0.00 2.44 2.54 0.00 107 E 8.13 4.00 0.00 2.03 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 2.39 2.41 0.00 108 I 7.51 3.74 2.00 0.00 0.00 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 1.47 0.89 0.97 0.00 0.00 109 E 9.09 4.06 0.00 2.32 2.27 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 2.39 2.41 0.00 110 L 8.74 3.76 0.00 1.80 1.83 0.95 0.95 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 0.00 111 T 7.88 4.29 4.41 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 1.25 0.00 0.00 112 I 8.71 4.30 2.06 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.30 0.95 0.00 0.00 113 N 8.08 4.35 0.00 2.90 2.90 0.00 0.00 7.13 7.62 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 0.00 114 K 8.25 4.13 0.00 2.03 2.12 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.68 7.81 115 A 7.84 3.19 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 0.00 0.00 116 I 7.54 3.80 1.97 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 1.51 0.79 0.90 0.00 0.00 117 E 8.17 3.88 0.00 2.17 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 2.34 2.41 0.00 118 H 7.87 4.25 0.00 3.17 2.83 0.00 5.63 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 R 7.89 4.09 0.00 1.94 1.95 0.00 3.44 0.00 0.00 3.14 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 120 K 7.22 4.34 0.00 1.86 1.94 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.43 7.81 121 L 7.36 4.51 0.00 1.66 1.60 0.91 0.80 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 0.00 122 R 7.25 4.66 0.00 1.76 1.87 0.00 3.27 0.00 0.00 3.30 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.52 0.00 123 K 8.65 4.05 0.00 1.77 1.86 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.59 1.55 7.81 124 E 8.18 4.09 0.00 1.94 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 2.31 2.32 0.00 125 N 7.55 4.56 0.00 2.69 2.69 0.00 0.00 6.86 7.44 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 * Residues marked with a * may have inaccurate shift predictions.