NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4060 8.3049 120.3441 55.2393 33.4612 175.0732 2 T 3.8000 8.2739 123.0257 62.7220 69.9668 169.7845 3 E 4.9974 9.0617 126.5757 54.7000 32.8846 173.8667 4 Y 4.7383 8.9793 125.5621 56.3692 40.2743 175.1609 5 K 4.8728 9.2230 125.2438 55.5556 33.2700 175.7027 6 L 5.0369 8.7575 126.0247 52.8171 44.5079 175.9467 7 V 4.4922 8.4271 122.9711 60.9790 34.5210 174.1825 8 V 4.8258 8.4864 127.0828 61.4418 33.0186 174.9414 9 V 4.5120 10.2669 121.0229 59.0548 35.6683 174.8216 10 G 3.9523 8.2716 108.6290 43.3605 0.0000 172.7257 11 A 4.6778 7.3438 122.7789 51.1642 18.8586 177.6337 12 G 3.7346 8.5323 109.7190 47.2216 0.0000 174.2223 13 G 4.0108 9.0012 111.8064 45.2498 0.0000 174.5406 14 V 3.7490 7.1587 111.5271 62.2910 31.9933 177.0906 15 G 4.2769 8.4714 109.2909 45.5895 0.0000 175.7633 16 K 3.9089 8.5368 121.2997 59.3152 31.9103 178.4887 17 N 4.3212 8.1576 116.3969 56.6430 38.9536 176.5771 18 A 4.0470 8.0304 121.7231 55.1835 18.5386 179.3725 19 L 4.0220 8.4336 117.9033 58.2614 41.6259 179.9890 20 T 3.8291 7.8932 115.2179 66.8162 68.4136 176.8966 21 I 3.6973 8.0362 121.9727 64.3879 37.1965 178.3121 22 Q 3.9879 8.3811 120.6423 58.8862 28.6367 178.1168 23 L 3.8229 7.5221 120.4242 58.4118 42.2328 178.7355 24 I 3.7958 7.7592 118.7075 63.9069 37.2972 177.7659 25 Q 4.3244 8.4488 117.3407 55.0718 29.2888 175.6044 26 N 4.8072 8.7670 115.5364 53.4801 35.8645 173.2384 27 H 4.9460 7.9451 110.5661 54.4873 31.4592 172.0580 28 F 4.6242 8.5061 121.3148 56.2057 41.8986 174.2076 29 V 3.8041 6.9126 126.1324 60.6004 32.6396 175.5118 30 D 3.8631 8.1791 128.5138 56.8807 40.8192 177.6992 31 E 4.1843 7.5457 114.8124 57.1734 30.2885 174.8669 32 Y 4.4455 6.2927 115.8379 56.9650 40.9229 172.6464 33 D 4.6219 8.8252 120.1851 52.2551 41.0000 175.2176 34 P 4.6819 0.0000 0.0000 62.8387 32.0812 176.0363 35 T 4.6365 8.1870 117.7699 62.5413 71.9847 174.9576 36 I 4.1438 8.3221 125.6731 59.7027 37.1201 175.0284 37 E 4.2919 8.5847 120.2802 56.7098 27.8395 176.0526 38 D 4.4526 8.3119 127.3983 53.8978 40.3267 175.3664 39 S 3.9163 8.9136 115.0842 56.5348 61.9644 174.1329 *40 Y 4.5114 9.0172 121.7722 58.6970 39.5278 172.1916 41 R 4.8320 8.8303 121.8175 57.5180 28.3614 174.7062 42 K 4.5754 8.3023 123.6267 54.3546 35.2399 174.4995 43 Q 4.8220 8.7804 129.2313 55.7369 29.8980 175.0858 44 V 4.5257 8.7723 124.7085 60.5516 35.3722 173.0516 45 V 4.4739 8.3135 122.9612 61.8820 32.6243 175.1077 46 I 4.1647 8.5593 129.3801 60.3780 39.2712 175.5799 47 D 4.5318 9.7869 126.7043 55.3747 38.2144 175.0326 48 G 3.9313 8.3804 106.6394 45.2778 0.0000 173.3721 49 E 4.3337 7.8391 121.6451 55.0084 30.2778 174.8181 50 T 4.6301 8.4424 123.9922 63.4696 69.1997 173.6703 51 C 5.0285 9.2696 120.8705 56.6677 34.3855 172.4336 52 L 4.9985 9.4022 122.0580 53.3012 44.0811 174.9834 53 L 4.7767 8.8472 127.6849 54.0832 43.2373 175.4988 54 D 4.9715 9.4502 125.5921 52.7309 42.3540 174.6609 55 I 4.7246 8.0487 126.8419 58.8185 37.7415 177.0887 56 L 4.5197 8.1582 133.2129 54.4349 42.8828 179.3290 *72 M 4.5720 8.8804 121.7326 56.3067 32.7678 177.2630 73 R 4.4169 8.0096 112.8181 57.0442 30.0575 177.0802 74 T 4.1456 7.8442 109.1588 63.7949 69.5645 175.6899 75 G 3.6094 7.4688 109.1306 45.6993 0.0000 172.6870 76 E 4.7607 8.7743 116.9044 55.5309 31.0806 175.8062 77 G 4.3830 7.2627 106.6520 45.2821 0.0000 172.0311 78 F 5.4541 9.2266 120.3657 55.4840 43.6967 173.8748 79 L 4.7918 9.1906 124.0599 53.8815 42.9842 175.9328 80 C 4.8889 9.0107 123.8728 58.9034 28.9756 172.7825 81 V 4.8758 8.9183 125.6387 60.9979 33.5074 174.6442 82 F 5.4744 8.8506 121.5206 55.1112 42.0789 172.9774 83 A 5.0341 8.8328 119.7933 49.9032 21.0644 178.0299 84 I 3.7479 9.0527 122.4359 63.1813 38.2864 176.9846 85 N 4.9647 8.0831 115.1486 51.5616 37.6607 174.4863 86 N 4.9182 8.3311 118.9028 51.3178 39.6041 174.5252 87 T 3.9788 8.4324 121.0532 66.4069 68.6203 175.5399 88 K 4.0965 8.3254 120.9547 59.7491 31.8785 178.6263 89 S 4.3089 8.1847 113.2855 61.0706 63.4213 176.0262 90 F 4.0290 8.1269 124.0371 61.1543 39.0203 176.8987 91 E 3.7296 8.2051 116.8354 58.9266 29.5418 178.5404 92 D 4.6502 7.8167 118.6717 56.3747 40.9275 178.2878 93 I 3.8569 7.3749 120.6525 65.0805 37.0365 177.5244 94 H 4.2447 8.0864 119.4475 58.6373 29.7108 177.1253 95 Q 3.8489 8.0262 119.7375 59.2839 28.7057 178.1551 96 Y 4.1088 7.9184 117.0669 61.2424 37.8834 178.9822 97 R 3.7185 8.1848 119.4197 59.2798 30.3191 178.1801 98 E 3.7617 8.1181 118.7197 59.6570 29.5500 178.6702 99 Q 3.8344 8.4134 119.4335 59.6227 28.9968 178.3635 100 I 3.3184 7.8253 120.0375 64.5230 37.2116 178.0636 101 K 3.7076 8.3053 119.2786 59.8186 31.9625 179.4755 102 R 3.8904 7.7271 115.4519 59.2816 29.2469 178.6978 103 V 3.7445 7.5844 116.8335 64.0859 31.5946 176.9113 104 K 4.3471 7.3979 115.9686 55.5696 33.5821 175.5833 105 D 4.3025 8.2364 119.0137 54.5587 39.9154 173.0037 106 S 4.6454 7.8096 113.0727 56.9579 66.1444 173.1765 107 D 4.3821 8.6688 124.8663 56.1490 41.2796 175.6945 108 D 4.6066 7.7654 117.2748 51.4595 40.4774 174.4866 109 V 4.2009 7.9880 124.0390 60.1593 33.3902 173.5434 110 P 4.5343 0.0000 0.0000 63.4808 31.9750 175.0895 111 M 5.3834 8.4880 120.6733 54.2894 34.4942 174.0717 112 V 4.5211 8.6492 119.0037 60.9931 35.5252 174.0779 113 L 4.9592 9.0818 130.1841 54.5884 43.3876 175.3118 114 V 4.6143 9.0658 127.8060 61.1750 33.8896 174.7812 115 G 3.4157 8.5518 116.8205 44.7420 0.0000 172.5050 116 N 5.0329 8.4521 126.6941 51.3913 41.4749 174.5079 117 K 4.1938 8.6588 116.5149 57.3042 29.1170 177.3963 118 C 4.3586 8.0043 112.6946 59.4539 29.3442 173.7917 119 D 4.4854 7.7735 120.0882 54.4648 39.8384 176.0721 120 L 4.3003 7.5790 120.2814 53.9780 42.5413 176.7948 121 A 4.1171 8.4378 124.0571 54.0446 19.2887 178.1339 122 A 4.3206 7.6186 121.3899 51.1277 17.4858 177.2848 123 R 4.5839 7.6223 122.1524 55.8748 31.0319 175.8426 124 T 4.3759 8.4078 114.4910 61.0849 70.2918 174.0783 125 V 4.1672 7.5134 121.9554 60.7377 32.8928 174.8119 126 E 4.1417 9.0950 128.2325 55.9018 30.2238 178.0805 127 S 4.1672 8.8425 116.6064 61.7882 62.2284 176.6286 128 R 3.8216 7.9420 120.6507 59.4608 29.7878 178.1963 129 Q 3.8591 7.7791 117.0165 59.0718 28.7275 178.9384 130 A 3.8707 7.4182 121.0059 54.9484 18.2681 179.5134 131 Q 3.9073 7.9416 116.8042 59.1814 28.8080 178.7304 132 D 4.2900 8.2140 120.0852 57.1549 40.7438 178.6045 133 L 3.5755 7.9160 120.4676 58.0450 42.1415 178.8132 134 A 4.0582 8.2665 121.0740 55.2566 18.4380 179.5373 135 R 3.8925 8.4430 117.8552 59.5707 29.9208 178.9269 136 S 4.1642 7.8205 113.0655 61.0838 62.8847 175.2990 137 Y 4.7797 7.7106 119.2116 57.5460 37.7569 176.1778 138 G 3.7788 7.9624 107.6077 46.4831 0.0000 173.1960 139 I 4.8428 7.7189 111.2457 57.7891 40.9364 173.3964 140 P 4.6111 0.0000 0.0000 62.8006 32.7200 174.5414 141 Y 5.3911 8.5786 123.1569 56.0573 41.1838 174.8288 142 I 4.2917 8.5142 126.6588 59.4170 41.3981 174.0713 143 E 4.7594 8.3249 126.0043 55.3480 30.4684 175.3737 144 T 4.8289 8.5589 113.0665 60.0783 73.3955 173.0185 145 S 4.5338 8.8647 116.1259 56.8017 64.4417 174.4654 146 A 4.1058 8.3645 130.9731 54.6273 18.5843 178.7680 147 K 2.5754 7.4148 116.5498 58.9165 32.2456 177.8730 148 T 4.0478 7.2391 105.4698 61.4757 69.6146 175.5932 149 R 3.9627 8.3671 122.6180 55.7715 30.1646 175.2385 150 Q 3.9873 7.5333 118.4533 58.4405 29.3219 177.6033 151 G 3.8848 8.8799 111.8946 46.2854 0.0000 175.4120 152 V 3.5313 7.5333 119.3202 66.1081 31.5588 177.5507 153 E 3.7074 8.0273 117.6701 59.5848 29.1999 178.9429 154 D 4.3441 7.9779 117.9523 57.2345 40.8272 178.5714 155 A 3.8539 8.0329 121.2634 55.2245 18.4389 179.7273 156 F 4.0471 7.9655 115.4379 60.9732 39.0694 177.5912 157 Y 4.2244 8.7502 116.7948 61.5685 37.7599 178.9258 158 T 3.9291 8.3584 116.8842 66.4248 68.5238 176.4552 159 L 3.9580 7.8769 122.3684 58.1377 42.1351 179.1392 160 V 3.3610 7.8100 118.1484 66.1105 31.4122 178.2423 161 R 3.9787 8.0039 117.3395 58.7811 29.6001 178.7873 162 E 4.1169 7.8060 117.9695 59.1538 29.6613 178.8190 163 I 3.9555 7.8433 120.0418 64.2508 36.9233 178.6021 164 R 3.9934 7.9145 118.0087 59.4642 30.1158 178.7175 165 Q 4.0838 7.8640 117.2922 58.8598 28.9815 176.5050 166 H 4.5629 7.8026 121.1755 56.1490 29.0769 174.7106 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 8.30 4.41 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.55 0.00 2 T 8.27 3.80 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 0.74 0.00 0.00 3 E 9.06 5.00 0.00 1.85 1.68 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 2.12 2.40 0.00 4 Y 8.98 4.74 0.00 2.90 2.84 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 5 K 9.22 4.87 0.00 1.68 1.72 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.39 7.81 6 L 8.76 5.04 0.00 1.67 1.61 1.12 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.43 4.49 1.67 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 0.97 0.00 0.00 0.63 0.00 0.00 8 V 8.49 4.83 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 0.87 0.00 0.00 1.06 0.00 0.00 9 V 10.27 4.51 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 0.82 0.00 0.00 1.04 0.00 0.00 10 G 8.27 3.95 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 0.00 0.00 0.00 11 A 7.34 4.68 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 G 8.53 3.73 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 0.00 0.00 0.00 13 G 9.00 4.01 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 0.00 0.00 0.00 14 V 7.16 3.75 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 0.79 0.00 0.00 0.93 0.00 0.00 15 G 8.47 4.28 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 0.00 16 K 8.54 3.91 0.00 1.83 1.91 0.00 1.83 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.48 7.81 17 N 8.16 4.32 0.00 2.78 2.83 0.00 0.00 7.04 8.10 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 18 A 8.03 4.05 1.56 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 0.00 0.00 19 L 8.43 4.02 0.00 2.00 1.95 0.85 0.59 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 20 T 7.89 3.83 4.43 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 1.19 0.00 0.00 21 I 8.04 3.70 1.86 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 0.91 0.94 0.00 0.00 22 Q 8.38 3.99 0.00 2.32 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 23 L 7.52 3.82 0.00 1.41 1.48 0.77 0.01 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 24 I 7.76 3.80 1.84 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.86 0.89 0.00 0.00 25 Q 8.45 4.32 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.71 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 26 N 8.77 4.81 0.00 2.89 2.94 0.00 0.00 7.07 8.16 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 27 H 7.95 4.95 0.00 3.21 3.23 0.00 5.66 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.51 4.62 0.00 3.01 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 V 6.91 3.80 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.67 0.00 0.00 30 D 8.18 3.86 0.00 2.64 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 31 E 7.55 4.18 0.00 2.18 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 0.00 2.05 2.31 0.00 32 Y 6.29 4.45 0.00 3.08 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 33 D 8.83 4.62 0.00 2.76 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 34 P 0.00 4.68 0.00 2.01 2.00 0.00 3.52 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.82 0.00 35 T 8.19 4.64 4.28 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 1.23 0.00 0.00 36 I 8.32 4.14 1.87 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 1.27 0.64 0.91 0.00 0.00 37 E 8.58 4.29 0.00 1.98 1.82 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 2.23 1.87 0.00 38 D 8.31 4.45 0.00 2.85 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 39 S 8.91 3.92 0.00 3.78 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 *40 Y 9.02 4.51 0.00 2.67 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 0.00 0.00 0.00 41 R 8.83 4.83 0.00 1.93 2.24 0.00 3.24 0.00 0.00 3.80 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.52 0.00 42 K 8.30 4.58 0.00 1.75 1.58 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.38 7.81 43 Q 8.78 4.82 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.47 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 44 V 8.77 4.53 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 0.53 0.00 0.00 0.94 0.00 0.00 45 V 8.31 4.47 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 46 I 8.56 4.16 1.61 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.48 0.57 0.00 0.00 47 D 9.79 4.53 0.00 2.75 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.38 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 0.00 0.00 0.00 49 E 7.84 4.33 0.00 2.03 1.95 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 2.29 2.29 0.00 50 T 8.44 4.63 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 1.21 0.00 0.00 51 C 9.27 5.03 0.00 3.28 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 9.40 5.00 0.00 1.69 1.54 0.92 0.74 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 53 L 8.85 4.78 0.00 1.63 1.60 0.94 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 54 D 9.45 4.97 0.00 2.73 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.05 4.72 1.86 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.66 0.99 0.00 0.00 56 L 8.16 4.52 0.00 1.51 1.23 0.91 1.38 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 *72 M 8.88 4.57 0.00 2.26 2.48 0.00 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.54 0.00 73 R 8.01 4.42 0.00 1.98 2.13 0.00 3.05 0.00 0.00 3.30 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 74 T 7.84 4.15 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 1.22 0.00 0.00 75 G 7.47 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 76 E 8.77 4.76 0.00 1.94 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 2.25 2.30 0.00 77 G 7.26 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 F 9.23 5.45 0.00 2.89 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 79 L 9.19 4.79 0.00 1.49 1.50 0.72 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 80 C 9.01 4.89 0.00 3.01 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 81 V 8.92 4.88 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 0.91 0.00 0.00 0.86 0.00 0.00 82 F 8.85 5.47 0.00 3.28 3.30 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 83 A 8.83 5.03 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 I 9.05 3.75 2.00 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 1.37 1.39 0.97 0.00 0.00 85 N 8.08 4.96 0.00 2.94 2.88 0.00 0.00 6.09 8.04 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 86 N 8.33 4.92 0.00 2.76 2.82 0.00 0.00 7.21 7.83 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 87 T 8.43 3.98 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 88 K 8.33 4.10 0.00 1.91 2.07 0.00 1.64 0.00 0.00 1.90 0.00 0.00 3.13 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.56 1.64 7.81 89 S 8.18 4.31 0.00 4.27 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 90 F 8.13 4.03 0.00 2.60 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 91 E 8.21 3.73 0.00 2.09 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.62 0.00 92 D 7.82 4.65 0.00 3.04 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 93 I 7.37 3.86 1.84 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.89 1.08 0.00 0.00 94 H 8.09 4.24 0.00 3.26 3.29 0.00 5.91 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 95 Q 8.03 3.85 0.00 2.06 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.52 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 96 Y 7.92 4.11 0.00 3.15 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 97 R 8.18 3.72 0.00 1.64 1.74 0.00 2.28 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.32 0.00 98 E 8.12 3.76 0.00 2.08 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.33 0.00 99 Q 8.41 3.83 0.00 2.07 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.69 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 100 I 7.83 3.32 1.71 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.68 -0.00 0.00 0.00 101 K 8.31 3.71 0.00 1.77 1.89 0.00 1.57 0.00 0.00 1.54 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.48 7.81 102 R 7.73 3.89 0.00 2.03 2.13 0.00 2.74 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.59 0.00 103 V 7.58 3.74 2.04 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 0.88 0.00 0.00 0.93 0.00 0.00 104 K 7.40 4.35 0.00 1.81 1.80 0.00 2.03 0.00 0.00 1.71 0.00 0.00 3.15 0.00 0.00 3.42 0.00 0.00 0.00 0.00 1.43 1.53 7.81 105 D 8.24 4.30 0.00 2.67 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 S 7.81 4.65 0.00 3.92 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 0.00 107 D 8.67 4.38 0.00 2.66 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 0.00 108 D 7.77 4.61 0.00 2.82 2.67 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 0.00 109 V 7.99 4.20 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 0.90 0.00 0.00 0.86 0.00 0.00 110 P 0.00 4.53 0.00 2.29 2.02 0.00 3.71 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 2.19 1.65 0.00 111 M 8.49 5.38 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.77 0.00 112 V 8.65 4.52 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 0.96 0.00 0.00 0.95 0.00 0.00 113 L 9.08 4.96 0.00 2.08 2.04 1.37 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 114 V 9.07 4.61 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 0.71 0.00 0.00 0.78 0.00 0.00 115 G 8.55 3.42 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 0.00 0.00 0.00 0.00 116 N 8.45 5.03 0.00 2.69 2.68 0.00 0.00 7.08 6.40 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 0.00 117 K 8.66 4.19 0.00 1.98 1.85 0.00 2.16 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.32 7.81 118 C 8.00 4.36 0.00 3.13 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 0.00 119 D 7.77 4.49 0.00 2.76 2.84 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 0.00 120 L 7.58 4.30 0.00 1.76 1.62 0.92 0.54 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 0.00 121 A 8.44 4.12 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 0.00 122 A 7.62 4.32 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 R 7.62 4.58 0.00 1.78 1.85 0.00 3.19 0.00 0.00 3.36 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 124 T 8.41 4.38 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 1.22 0.00 0.00 125 V 7.51 4.17 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 -0.07 0.00 0.00 0.86 0.00 0.00 126 E 9.10 4.14 0.00 1.94 1.79 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 2.29 2.18 0.00 127 S 8.84 4.17 0.00 3.98 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 0.00 128 R 7.94 3.82 0.00 1.88 1.86 0.00 3.22 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 129 Q 7.78 3.86 0.00 1.99 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 130 A 7.42 3.87 0.39 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 0.00 131 Q 7.94 3.91 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.55 2.67 0.00 132 D 8.21 4.29 0.00 2.78 2.65 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 0.00 133 L 7.92 3.58 0.00 1.72 1.76 0.43 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.27 4.06 1.51 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 0.00 135 R 8.44 3.89 0.00 1.90 2.09 0.00 3.10 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 136 S 7.82 4.16 0.00 3.98 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 0.00 137 Y 7.71 4.78 0.00 3.14 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 0.00 138 G 7.96 3.78 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 0.00 0.00 0.00 139 I 7.72 4.84 2.17 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.95 1.05 0.00 0.00 140 P 0.00 4.61 0.00 2.14 2.05 0.00 3.76 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 2.15 2.13 0.00 141 Y 8.58 5.39 0.00 2.95 2.90 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 0.00 142 I 8.51 4.29 1.67 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 1.12 0.56 0.74 0.00 0.00 143 E 8.32 4.76 0.00 1.66 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.03 0.00 144 T 8.56 4.83 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 1.06 0.00 0.00 145 S 8.86 4.53 0.00 3.73 3.58 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 0.00 146 A 8.36 4.11 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 K 7.41 2.58 0.00 0.79 1.33 0.00 1.68 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.15 1.02 7.81 148 T 7.24 4.05 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 1.10 0.00 0.00 149 R 8.37 3.96 0.00 1.96 2.10 0.00 3.18 0.00 0.00 3.06 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.51 0.00 150 Q 7.53 3.99 0.00 2.03 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.61 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 151 G 8.88 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 V 7.53 3.53 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 1.22 0.00 0.00 0.92 0.00 0.00 153 E 8.03 3.71 0.00 1.76 1.24 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 2.08 2.23 0.00 154 D 7.98 4.34 0.00 2.84 2.66 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 0.00 155 A 8.03 3.85 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 0.00 156 F 7.97 4.05 0.00 3.16 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 0.00 157 Y 8.75 4.22 0.00 3.01 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 0.00 158 T 8.36 3.93 4.46 0.00 0.00 0.00 0.00 0.00 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 0.00 159 L 7.88 3.96 0.00 1.83 1.90 1.07 0.93 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 0.00 160 V 7.81 3.36 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 0.14 0.00 0.00 0.64 0.00 0.00 161 R 8.00 3.98 0.00 2.06 1.96 0.00 3.19 0.00 0.00 3.17 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.92 0.00 162 E 7.81 4.12 0.00 2.24 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 2.57 2.54 0.00 163 I 7.84 3.96 2.10 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 1.71 1.46 1.12 0.00 0.00 164 R 7.91 3.99 0.00 1.99 2.03 0.00 3.14 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.69 0.00 165 Q 7.86 4.08 0.00 2.31 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.91 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 166 H 7.80 4.56 0.00 3.33 3.25 0.00 5.93 0.00 0.00 0.00 0.00 6.98 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.