NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.1180 8.2048 120.4703 55.6113 33.8953 174.2673 2 I 4.5646 8.3106 123.0394 59.1247 40.9319 173.3017 3 I 4.7385 8.4757 126.5675 60.0881 40.6828 173.7448 4 S 4.2735 8.1922 123.3301 57.2787 65.8644 172.1282 5 S 5.0541 8.5360 111.2642 56.7348 65.7219 175.4957 6 L 3.7685 8.7400 124.4518 55.8317 41.2292 177.6477 7 T 4.3533 7.4527 114.1667 63.2152 70.1546 174.2031 8 N 4.8538 8.0429 120.7745 50.6306 38.6689 174.1116 9 P 4.2395 0.0000 0.0000 65.7563 31.1886 176.5856 10 N 4.8206 8.1257 113.3235 52.2798 39.0904 175.9661 11 F 3.8415 8.8865 116.3347 60.0219 37.8860 177.1289 12 K 3.5367 6.6274 119.8011 58.5249 31.9989 177.1267 13 V 3.6025 8.0008 119.6361 64.4849 31.5454 176.4886 14 G 4.0398 8.8852 114.4818 45.6169 0.0000 173.5943 15 L 4.3607 7.8012 119.8634 53.3555 42.6614 175.7021 16 P 4.3586 0.0000 0.0000 62.5558 31.9895 177.5291 17 K 3.8498 8.9153 122.5007 60.0372 31.9048 179.3816 18 V 3.9419 7.7344 117.5649 66.0192 31.4527 177.9637 19 I 3.7748 7.7326 118.8962 63.7023 37.0072 178.1260 20 A 3.9856 8.0424 121.8674 55.2843 18.3995 179.1287 21 E 3.8927 9.3389 117.6265 60.0072 29.5292 180.2033 22 V 3.7140 7.6187 117.8248 66.1121 31.4114 177.7674 23 C 3.9966 8.2612 115.9514 62.7615 28.3112 175.3229 24 D 4.6821 8.4013 120.6331 57.9692 40.4681 178.6095 25 Y 4.1494 7.9099 119.1032 60.5606 38.8116 177.3946 26 L 3.6741 8.4021 120.3596 57.8074 41.4320 179.0475 27 N 4.4272 7.6718 114.7221 55.7248 38.5875 176.6553 28 T 3.8980 7.6608 116.8028 65.8010 68.7341 174.9204 29 L 4.1336 7.1150 120.5453 53.8245 42.9303 176.5805 30 D 4.6091 7.9907 120.1993 52.3788 40.2856 176.4614 31 L 3.9590 8.2233 126.0181 57.5385 42.0790 179.7183 32 N 4.2829 8.1291 114.3462 56.1659 38.5474 175.9555 33 A 4.1923 7.8261 118.6401 53.2937 18.8715 177.7881 34 L 4.0476 7.3452 115.9464 54.7672 42.2054 176.5269 35 E 4.4170 8.5422 122.9436 54.9600 30.7526 175.8769 36 N 4.5274 8.4849 122.4759 53.3935 39.5720 175.9761 37 G 3.7207 7.9088 107.9896 44.5292 0.0000 170.9471 38 R 5.3027 7.9674 121.1429 54.6293 31.4751 176.2103 39 H 5.0263 9.5001 124.0427 54.1029 31.3942 173.9452 40 D 4.7794 8.8155 122.9012 54.5017 41.5560 174.7988 41 I 4.3798 8.3661 118.1040 61.3923 40.6119 177.7975 42 N 5.1312 7.4895 121.9127 52.2845 40.9233 174.5693 43 D 4.6649 8.6455 118.2063 56.7150 41.2940 176.8934 44 Q 4.5468 7.9441 115.3231 55.6611 31.5481 175.1796 45 I 4.8719 7.9339 118.3316 59.0751 39.7142 174.7103 46 Y 5.1240 7.9560 123.3911 55.6298 42.0537 173.2867 47 M 5.2542 9.1966 117.0891 54.2957 36.3092 173.7743 48 N 5.5671 9.0144 121.2585 51.4963 42.8135 173.3743 49 V 4.7810 9.0102 123.7312 61.2605 34.7411 174.1607 50 M 5.1043 8.8029 123.6724 53.9705 35.1314 174.5734 51 E 4.7383 8.5768 119.0502 53.4013 31.5005 172.7939 52 P 4.1340 0.0000 0.0000 60.1171 32.5871 175.4702 *61 K 4.1234 8.2108 116.5265 57.2904 33.6526 175.4480 62 A 4.4872 8.7361 123.6328 51.1562 20.9548 175.8150 63 E 5.2002 8.7044 119.9437 54.7475 33.4765 174.3131 64 L 4.6314 8.0680 123.4938 54.6337 46.3919 173.2174 65 H 5.5003 8.4595 117.7119 54.7809 32.8847 173.8884 66 H 4.3710 9.2681 116.2305 57.0699 30.4952 176.0898 67 E 4.2970 10.3724 119.2123 57.7287 30.2206 175.5685 68 Y 5.1743 8.2393 113.9934 56.1340 40.7832 175.3099 69 L 4.7992 9.8794 121.9209 54.7003 43.9114 174.6182 70 D 5.0917 8.8987 118.8014 52.4964 44.0331 175.8585 71 V 4.4492 8.2773 123.7192 61.6296 32.7091 174.3859 72 Q 4.8667 9.0110 128.5616 54.8737 30.8795 175.5994 73 V 4.7592 8.4789 122.5343 61.0014 34.2242 174.2702 74 L 4.4654 8.5220 131.0454 55.3592 42.7112 177.1042 75 I 4.3994 8.7831 125.2360 62.3172 39.9262 176.4041 76 R 4.4831 7.9395 118.9707 55.7983 34.4191 173.9205 77 G 4.1207 9.0953 106.7311 44.4653 0.0000 172.6760 78 T 4.8917 8.1164 116.0022 62.5355 72.6256 173.1414 79 E 4.7397 9.1109 125.1546 54.8819 32.5552 173.2652 80 N 5.3748 8.5903 121.8157 51.7198 41.1545 173.6048 81 I 4.7694 9.2914 126.0860 59.5760 40.0169 174.8780 82 E 4.7141 9.0309 126.4616 55.9402 31.2772 175.9179 83 V 4.3469 7.7738 122.2415 61.6958 35.2460 173.0961 84 G 4.4441 9.3021 115.4596 44.5204 0.0000 172.5829 85 A 4.8800 8.7374 121.4304 52.0673 21.0537 177.4058 86 T 4.2441 7.8244 112.3304 62.9092 69.2907 173.9239 87 Y 4.1607 8.5082 126.2696 56.9740 39.4518 174.2483 88 P 4.3837 0.0000 0.0000 62.2191 32.3440 175.8767 89 N 4.6344 8.1054 115.8776 52.8464 38.0563 175.8458 90 L 4.1235 8.4294 127.1959 57.0004 42.0895 179.6373 91 S 4.2635 8.3123 112.5999 60.2037 63.1872 175.0297 92 K 4.3949 7.8457 119.1979 56.6564 32.1797 175.6995 93 Y 4.5156 7.8619 117.6211 56.3298 39.2178 175.6289 94 E 4.3400 9.2964 123.6096 56.6842 30.6145 176.3485 95 D 4.8742 8.4499 121.4766 52.6592 41.4600 174.9727 96 Y 4.5259 8.5175 119.7917 57.3951 39.9421 173.9605 97 N 4.4738 7.3206 124.5377 51.5043 40.2125 175.0278 98 E 3.5960 8.6120 127.4548 58.4358 30.3397 177.9379 99 A 4.0420 8.2223 121.7712 55.3702 18.4662 178.2452 100 D 4.7072 8.0421 112.1987 53.4346 41.2777 176.7191 101 D 4.1661 7.8282 116.1547 54.1438 39.1061 171.5956 102 Y 5.8128 6.7694 117.0552 57.0070 41.8430 174.3765 103 Q 5.3284 8.8120 118.2676 54.4688 33.7736 173.9385 104 L 5.0945 8.2854 119.3955 53.6602 46.2187 174.8300 105 C 4.6344 8.1775 117.7014 58.8065 34.8324 174.5515 106 A 4.2909 8.5841 125.6222 53.6715 18.6492 177.1346 107 D 4.8435 7.3551 113.5726 52.5891 45.0978 174.6414 108 I 4.6056 7.9879 120.5238 59.7224 40.4688 175.0295 109 D 4.7132 8.6679 124.6460 54.5901 42.0122 175.9446 110 D 4.6886 8.8712 120.6474 55.0126 37.9282 174.4323 111 K 4.4838 8.0981 118.2747 56.7563 32.3402 176.1413 112 F 5.1428 8.3816 117.6905 55.7223 42.3067 173.2836 113 T 4.8599 8.7078 115.7472 62.0198 69.9643 174.3193 114 V 4.2601 8.4353 127.6665 62.0250 33.1995 174.6955 115 T 5.2500 8.4855 124.8178 62.2555 69.6064 173.9777 116 M 4.6257 10.6600 126.2703 53.8585 34.4126 175.5222 117 K 4.9447 8.3248 120.6691 53.3991 36.6801 173.5289 118 P 4.3496 0.0000 0.0000 64.7790 31.3910 175.0376 119 K 4.4019 8.7266 121.2366 56.7211 31.1965 177.0837 120 M 4.6405 8.4985 118.4592 55.6173 33.0049 175.9222 121 F 5.9559 9.8361 117.9277 54.1851 42.2191 173.7705 122 A 5.4918 8.3308 120.0446 50.1887 22.6071 174.9493 123 V 5.0428 8.1226 122.2198 60.3567 34.2058 174.0647 124 F 5.5712 8.2205 126.1789 56.0813 41.7223 174.9584 125 Y 4.6561 12.0000 121.3865 56.5224 39.4428 173.3937 126 P 4.4498 0.0000 0.0000 65.1057 31.7699 176.8394 127 Y 3.5461 8.3720 118.2079 58.1073 36.8638 169.0747 128 E 4.5713 8.6796 121.8434 54.8799 30.8049 174.2275 129 P 5.0398 0.0000 0.0000 62.9098 33.4238 174.6677 130 H 5.2115 8.5187 115.9283 55.3898 32.4342 172.9887 131 K 4.4355 7.9364 116.8246 54.6926 33.1859 171.2944 132 P 4.5983 0.0000 0.0000 63.3363 31.7439 175.6611 133 C 4.5753 8.5654 117.4686 59.4067 31.3160 173.5307 134 C 4.5099 7.6547 114.0468 59.9129 32.1096 174.6105 135 V 3.4768 8.3593 111.0822 62.0839 27.7004 171.5753 *143 I 4.2184 7.3706 119.7331 61.1731 38.6524 174.5201 144 K 4.9123 8.4275 126.6431 54.8179 36.2866 174.6405 145 K 4.8150 8.0588 121.4693 56.8958 36.5714 172.9475 146 L 5.1132 8.3152 119.7188 54.8064 44.7659 175.2186 147 V 4.7395 8.6837 118.8455 61.6736 35.0456 173.3521 148 V 4.5039 8.7769 128.9735 61.3373 33.3649 174.4410 149 K 4.6285 8.5424 128.1345 54.9914 32.9989 175.6095 150 V 4.5951 8.1221 125.4274 59.9980 34.3448 173.1513 151 P 3.9421 0.0000 0.0000 62.2909 32.0491 177.3949 152 V 3.8010 8.4762 122.7347 65.9047 31.5754 178.2463 153 K 4.0714 7.8537 117.8210 59.1076 32.0158 177.5462 154 L 4.4059 8.0929 117.1540 54.9542 41.4570 177.0025 155 I 4.2186 7.5387 125.4840 61.5413 37.8911 175.1410 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 8.20 5.12 0.00 2.31 2.40 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.64 0.00 2 I 8.31 4.56 1.97 0.00 0.00 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 1.38 1.05 0.96 0.00 0.00 3 I 8.48 4.74 1.87 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 1.23 0.65 0.86 0.00 0.00 4 S 8.19 4.27 0.00 3.50 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 5 S 8.54 5.05 0.00 3.83 3.60 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 6 L 8.74 3.77 0.00 1.39 1.54 0.76 0.43 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 7 T 7.45 4.35 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 1.21 0.00 0.00 8 N 8.04 4.85 0.00 3.04 2.99 0.00 0.00 6.52 7.30 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 9 P 0.00 4.24 0.00 2.23 2.31 0.00 3.80 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.07 0.00 10 N 8.13 4.82 0.00 2.77 2.83 0.00 0.00 6.85 8.13 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 11 F 8.89 3.84 0.00 3.37 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 12 K 6.63 3.54 0.00 1.22 1.62 0.00 1.64 0.00 0.00 1.17 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 0.99 7.81 13 V 8.00 3.60 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 0.72 0.00 0.00 0.94 0.00 0.00 14 G 8.89 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 15 L 7.80 4.36 0.00 1.73 1.68 1.18 1.48 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 16 P 0.00 4.36 0.00 2.22 2.07 0.00 3.72 0.00 0.00 4.02 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 17 K 8.92 3.85 0.00 1.80 1.89 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.53 7.81 18 V 7.73 3.94 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 1.06 0.00 0.00 0.98 0.00 0.00 19 I 7.73 3.77 2.01 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.50 0.83 0.00 0.00 20 A 8.04 3.99 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 21 E 9.34 3.89 0.00 2.02 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 2.35 2.36 0.00 22 V 7.62 3.71 2.28 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 1.09 0.00 0.00 0.91 0.00 0.00 23 C 8.26 4.00 0.00 3.18 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 24 D 8.40 4.68 0.00 3.00 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 25 Y 7.91 4.15 0.00 3.01 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 26 L 8.40 3.67 0.00 1.57 1.59 0.80 0.56 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 27 N 7.67 4.43 0.00 2.90 2.85 0.00 0.00 7.04 6.99 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 28 T 7.66 3.90 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 1.11 0.00 0.00 29 L 7.11 4.13 0.00 1.51 1.38 0.13 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 30 D 7.99 4.61 0.00 2.62 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 31 L 8.22 3.96 0.00 1.68 1.65 0.83 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 32 N 8.13 4.28 0.00 2.69 2.87 0.00 0.00 6.87 7.35 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 33 A 7.83 4.19 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 34 L 7.35 4.05 0.00 1.75 1.57 0.86 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.54 4.42 0.00 2.01 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 2.26 2.34 0.00 36 N 8.48 4.53 0.00 2.76 2.84 0.00 0.00 6.98 7.65 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 37 G 7.91 3.72 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 0.00 0.00 0.00 38 R 7.97 5.30 0.00 2.05 1.79 0.00 2.78 0.00 0.00 2.25 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 39 H 9.50 5.03 0.00 3.07 3.23 0.00 5.66 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 8.82 4.78 0.00 2.59 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 41 I 8.37 4.38 2.07 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 1.28 0.65 0.75 0.00 0.00 42 N 7.49 5.13 0.00 2.68 2.75 0.00 0.00 6.92 8.06 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 43 D 8.65 4.66 0.00 2.68 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 44 Q 7.94 4.55 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.71 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 45 I 7.93 4.87 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.69 0.91 0.00 0.00 46 Y 7.96 5.12 0.00 3.02 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 47 M 9.20 5.25 0.00 2.24 1.94 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.55 0.00 48 N 9.01 5.57 0.00 2.71 2.69 0.00 0.00 6.42 7.70 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 49 V 9.01 4.78 2.37 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 1.05 0.00 0.00 0.97 0.00 0.00 50 M 8.80 5.10 0.00 2.11 2.08 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 2.48 2.63 0.00 51 E 8.58 4.74 0.00 1.91 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 2.37 2.42 0.00 52 P 0.00 4.13 0.00 2.03 2.05 0.00 3.85 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 *61 K 8.21 4.12 0.00 1.80 1.78 0.00 1.53 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.24 1.38 7.81 62 A 8.74 4.49 1.19 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 0.00 0.00 0.00 63 E 8.70 5.20 0.00 1.89 1.42 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 2.04 1.97 0.00 64 L 8.07 4.63 0.00 1.64 1.42 0.47 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 65 H 8.46 5.50 0.00 3.17 3.44 0.00 5.63 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 H 9.27 4.37 0.00 3.25 3.20 0.00 5.66 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 E 10.37 4.30 0.00 2.28 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 2.37 2.66 0.00 68 Y 8.24 5.17 0.00 2.78 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 69 L 9.88 4.80 0.00 1.61 1.70 0.83 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 70 D 8.90 5.09 0.00 2.68 2.57 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 71 V 8.28 4.45 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 0.78 0.00 0.00 0.79 0.00 0.00 72 Q 9.01 4.87 0.00 1.94 1.99 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 2.25 2.12 0.00 73 V 8.48 4.76 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 0.90 0.00 0.00 0.84 0.00 0.00 74 L 8.52 4.47 0.00 1.78 1.51 1.02 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 75 I 8.78 4.40 1.93 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.97 0.88 0.00 0.00 76 R 7.94 4.48 0.00 1.70 1.74 0.00 3.09 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 77 G 9.10 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 T 8.12 4.89 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 79 E 9.11 4.74 0.00 2.03 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 2.22 2.30 0.00 80 N 8.59 5.37 0.00 2.90 2.71 0.00 0.00 6.86 7.20 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 81 I 9.29 4.77 1.98 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.71 0.94 0.00 0.00 82 E 9.03 4.71 0.00 1.95 1.75 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 2.23 2.20 0.00 83 V 7.77 4.35 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 0.21 0.00 0.00 0.78 0.00 0.00 84 G 9.30 4.44 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 0.00 85 A 8.74 4.88 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.82 4.24 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 87 Y 8.51 4.16 0.00 2.86 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 88 P 0.00 4.38 0.00 1.98 1.88 0.00 2.20 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.52 0.00 89 N 8.11 4.63 0.00 2.89 2.87 0.00 0.00 7.53 6.54 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 90 L 8.43 4.12 0.00 1.78 1.73 0.93 0.60 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 91 S 8.31 4.26 0.00 4.04 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 92 K 7.85 4.39 0.00 1.97 1.87 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.45 7.81 93 Y 7.86 4.52 0.00 3.02 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 94 E 9.30 4.34 0.00 1.98 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 2.36 2.25 0.00 95 D 8.45 4.87 0.00 2.76 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 96 Y 8.52 4.53 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 97 N 7.32 4.47 0.00 2.08 1.42 0.00 0.00 6.78 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 98 E 8.61 3.60 0.00 1.92 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 2.42 2.68 0.00 99 A 8.22 4.04 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 0.00 100 D 8.04 4.71 0.00 2.80 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 0.00 101 D 7.83 4.17 0.00 2.90 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 6.77 5.81 0.00 3.10 3.03 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 0.00 103 Q 8.81 5.33 0.00 2.32 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.78 0.00 0.00 0.00 0.00 0.00 2.59 2.57 0.00 104 L 8.29 5.09 0.00 1.59 1.48 1.03 0.62 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 0.00 105 C 8.18 4.63 0.00 1.82 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 0.00 106 A 8.58 4.29 1.21 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 0.00 107 D 7.36 4.84 0.00 2.55 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.99 4.61 1.83 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 1.38 0.54 0.87 0.00 0.00 109 D 8.67 4.71 0.00 2.71 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 0.00 110 D 8.87 4.69 0.00 2.94 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 0.00 111 K 8.10 4.48 0.00 1.68 1.76 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.35 1.71 7.81 112 F 8.38 5.14 0.00 3.03 3.09 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 0.00 113 T 8.71 4.86 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 1.25 0.00 0.00 114 V 8.44 4.26 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 1.03 0.00 0.00 1.11 0.00 0.00 115 T 8.49 5.25 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 1.23 0.00 0.00 116 M 10.66 4.63 0.00 1.95 1.98 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 2.59 2.69 0.00 117 K 8.32 4.94 0.00 1.66 1.67 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.43 7.81 118 P 0.00 4.35 0.00 1.92 2.14 0.00 3.65 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.25 0.00 119 K 8.73 4.40 0.00 1.92 2.21 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.27 1.33 7.81 120 M 8.50 4.64 0.00 1.89 2.05 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 2.81 2.47 0.00 121 F 9.84 5.96 0.00 2.92 2.97 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 0.00 122 A 8.33 5.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 V 8.12 5.04 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 1.04 0.00 0.00 124 F 8.22 5.57 0.00 2.88 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 12.00 4.66 0.00 3.08 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 0.00 126 P 0.00 4.45 0.00 2.28 2.21 0.00 4.11 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.52 0.00 127 Y 8.37 3.55 0.00 3.21 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 0.00 128 E 8.68 4.57 0.00 2.28 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 2.47 2.48 0.00 129 P 0.00 5.04 0.00 2.10 2.20 0.00 3.79 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.96 0.00 130 H 8.52 5.21 0.00 2.81 2.19 0.00 5.58 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 K 7.94 4.44 0.00 1.71 1.62 0.00 1.66 0.00 0.00 1.93 0.00 0.00 2.78 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.37 7.81 132 P 0.00 4.60 0.00 1.99 2.24 0.00 3.67 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.36 0.00 133 C 8.57 4.58 0.00 3.00 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 0.00 134 C 7.65 4.51 0.00 2.92 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 0.00 135 V 8.36 3.48 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 0.66 0.00 0.00 0.94 0.00 0.00 *143 I 7.37 4.22 1.87 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 1.34 1.11 0.91 0.00 0.00 144 K 8.43 4.91 0.00 1.77 1.58 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.31 1.34 7.81 145 K 8.06 4.81 0.00 1.99 1.86 0.00 1.37 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.22 1.27 7.81 146 L 8.32 5.11 0.00 1.83 1.75 0.87 0.75 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 0.00 147 V 8.68 4.74 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 0.86 0.00 0.00 0.95 0.00 0.00 148 V 8.78 4.50 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 0.87 0.00 0.00 0.87 0.00 0.00 149 K 8.54 4.63 0.00 0.79 1.21 0.00 1.14 0.00 0.00 1.26 0.00 0.00 2.64 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.97 0.63 7.81 150 V 8.12 4.60 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 0.98 0.00 0.00 0.87 0.00 0.00 151 P 0.00 3.94 0.00 2.05 1.67 0.00 3.77 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 2.02 1.93 0.00 152 V 8.48 3.80 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 1.10 0.00 0.00 1.00 0.00 0.00 153 K 7.85 4.07 0.00 1.75 1.85 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.37 7.81 154 L 8.09 4.41 0.00 1.72 1.69 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 155 I 7.54 4.22 2.12 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 1.23 0.64 1.08 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.