NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4392 8.3193 115.2894 58.4478 64.5145 174.9950 8 E 3.9216 8.1433 117.9789 58.6459 29.6601 178.8208 9 I 4.0192 8.3559 120.5892 60.5523 38.4886 178.2813 *11 N 4.7146 8.2991 118.0247 52.9333 40.5630 177.2262 12 R 3.9733 8.2208 117.2972 59.4791 30.0166 179.2475 13 T 3.8857 8.3418 116.0632 66.6262 68.3753 176.8310 14 L 4.0354 7.8733 120.4073 57.7358 41.6478 179.1650 15 D 4.4474 8.2377 119.1567 57.0212 40.5169 178.2799 16 L 3.9267 7.9344 120.4021 58.2240 42.1291 178.2702 17 Q 4.1310 7.9384 118.1563 59.6190 29.1500 178.5655 18 I 3.9218 7.4167 119.0341 64.2406 37.1175 178.3907 19 I 3.8404 7.5468 116.9760 63.0107 36.9296 177.2495 *21 D 4.5499 7.9504 121.5836 54.5711 42.8516 177.6454 22 D 4.3826 8.3215 118.9119 57.2273 40.7040 178.8307 23 L 4.0140 8.0850 119.5088 57.7979 41.6768 179.5697 24 L 4.0584 7.8950 118.3579 57.9249 41.6713 178.9545 25 N 4.3573 8.2244 116.3687 56.5683 38.5160 177.4744 26 L 4.0307 8.2244 120.2880 57.5127 41.7853 179.0640 27 L 4.2228 8.1607 120.4034 58.5213 41.8007 179.2154 28 L 4.1807 7.9878 117.4845 57.5155 41.6347 179.1011 29 K 4.0424 7.9054 117.7945 59.6515 32.1486 178.5408 30 E 3.9286 8.0786 117.5315 56.8246 29.7634 176.0283 31 F 5.0036 7.2532 115.3602 55.2338 42.8863 174.9649 32 K 4.3722 8.4346 120.5098 56.5355 31.3846 177.3461 33 L 4.7986 7.7423 117.6555 53.7330 43.7053 176.6111 34 D 5.0737 9.1983 120.2836 54.4243 43.7229 175.6548 35 L 5.1108 7.9446 119.1154 53.8260 46.0167 174.0077 36 A 5.3716 9.0452 125.3907 50.5734 23.0701 175.2013 37 V 5.0459 9.3414 121.2861 61.2809 35.5586 174.0434 38 I 4.9821 8.9854 128.4430 59.8332 39.4125 174.7815 39 R 5.2698 8.9304 125.6148 54.4187 33.2997 174.9727 40 L 5.3888 8.6679 121.6240 52.6374 45.6898 176.2346 41 V 4.2262 8.7627 123.4434 63.1220 32.3176 175.7391 42 D 4.7923 8.8902 127.5939 51.5802 41.3353 176.8836 43 E 3.8888 8.8628 118.2094 59.8680 29.2380 178.8114 44 K 4.1959 8.1257 114.2009 56.4129 32.1444 177.8121 45 G 3.9639 8.3836 107.7966 45.2596 0.0000 174.1433 46 V 3.7665 7.8880 120.7705 62.4856 33.0364 175.4846 47 L 4.5960 9.1426 128.2768 54.4784 41.9320 175.6105 48 R 4.8262 8.8356 124.2878 54.4385 32.0631 176.3290 49 V 4.1420 9.0813 124.7486 63.8549 31.3462 175.6277 50 R 4.7138 8.8004 126.2933 56.3946 32.4741 175.9583 51 S 4.7627 7.8812 111.7364 57.7492 65.6598 172.8514 52 Y 5.3391 7.7476 120.7901 56.5745 40.4486 173.1664 53 S 4.5907 9.0847 114.8774 57.8865 66.6802 174.4704 54 G 4.5419 9.4029 111.2057 46.0452 0.0000 172.3411 55 K 4.5672 8.1151 116.8512 55.8062 34.8497 175.9306 56 G 3.8241 8.8178 106.7382 45.6061 0.0000 175.7872 57 I 3.3944 7.7541 120.1243 63.4515 38.0024 176.6414 58 A 4.3457 7.8357 120.6489 52.4576 19.8648 177.8093 59 G 4.1806 7.5208 106.7384 44.8984 0.0000 175.9777 60 I 3.5882 9.7967 122.3528 63.8373 38.0528 176.8354 61 A 4.3026 7.7425 120.2194 52.0276 18.3441 177.3576 62 G 4.4291 7.7736 103.6051 44.9182 0.0000 174.0198 63 K 4.3173 7.8827 119.2131 54.7930 33.8093 175.5314 64 D 4.8092 7.9495 119.6102 54.0585 41.9429 176.4063 65 W 4.7457 9.0040 121.8360 54.5735 32.6544 174.5412 66 E 4.5065 8.9883 125.2206 55.4307 29.3791 175.3266 67 P 4.4655 0.0000 0.0000 62.9641 32.2856 175.6347 68 E 4.7691 8.3423 119.2542 54.9403 33.4743 176.1916 69 I 3.7764 8.3952 122.1890 63.8322 38.3083 177.3389 70 E 3.9742 8.1731 118.0749 57.6443 29.7651 176.9303 71 T 4.4637 6.9941 110.2858 59.6808 72.5718 174.8073 72 Y 4.0907 8.0777 119.9930 61.3142 38.0238 178.7354 73 I 3.6320 7.5576 119.2918 63.8938 38.0643 178.0558 74 G 4.2017 7.9814 108.0427 47.2624 0.0000 175.3705 75 E 3.9752 8.2781 121.4746 58.8726 29.6666 178.7568 76 A 4.7961 8.0882 122.3371 54.6266 18.2422 179.4632 77 F 4.0519 8.2284 119.1003 61.6280 39.3647 177.5229 78 L 3.9439 8.3108 117.7600 57.0858 41.5899 178.0924 79 S 4.3327 8.0561 110.8806 57.4668 63.9105 173.1431 80 N 4.1035 7.3818 118.9157 54.1093 37.6864 173.8037 81 R 4.8438 7.8145 114.9687 54.3537 35.3763 176.3732 82 L 4.6566 8.6012 123.1909 56.1622 41.6945 176.2066 83 Q 4.7632 8.9913 119.0120 54.2610 32.5554 174.3988 84 F 4.7327 7.8784 116.7520 55.2542 41.5198 173.7610 85 V 3.9385 7.5509 119.5191 61.2005 33.5002 175.9120 86 N 4.6770 8.9897 125.9127 55.6532 40.3165 174.3428 87 D 4.9849 7.9650 118.3656 52.7297 43.6903 176.2136 88 T 4.0222 9.1392 118.7639 64.1690 68.8667 176.3502 89 Q 3.9740 8.2122 119.8396 58.0336 28.5434 175.9943 90 Y 4.7341 7.4350 116.9543 56.3749 37.6243 175.5304 *92 T 4.1986 8.0704 112.3706 60.5719 70.8784 175.2224 93 K 4.3942 7.7942 123.2361 54.6100 32.8982 174.9281 94 P 4.3161 0.0000 0.0000 65.5932 31.4720 178.2556 95 L 3.9523 7.8242 119.6698 58.0834 41.9548 178.6462 96 T 3.8605 7.8873 113.8910 66.7321 68.5433 175.6374 97 R 4.1235 8.1184 119.3868 59.7692 30.3721 177.5461 98 E 4.1564 8.2991 118.6325 59.2731 29.0769 179.0551 99 L 3.9192 8.1089 115.2228 56.0054 41.2038 178.7593 *101 Q 4.3058 8.0221 120.7682 55.8613 30.6773 177.5412 102 K 3.9183 7.9447 118.1090 59.2645 32.2459 177.4413 103 E 4.0666 7.7714 115.8185 57.1007 29.7136 177.6231 104 G 3.9267 8.4573 108.4315 45.0420 0.0000 173.1770 105 I 4.2734 7.4967 120.7911 61.4184 37.4758 175.8037 106 K 4.3516 8.9824 125.2235 57.3443 33.9417 176.7816 107 S 5.2297 8.0993 112.8634 57.3949 65.8538 173.4639 108 F 5.3431 8.8579 120.4910 56.2390 41.7438 172.5457 109 A 4.5598 8.2466 119.5788 50.7148 22.9163 174.8825 110 H 5.2115 9.4761 118.2829 53.9838 32.2316 172.9934 111 I 4.8041 8.7271 124.1146 58.6002 40.1306 173.5542 112 P 4.7438 0.0000 0.0000 62.7709 32.3683 176.1675 113 I 4.3583 8.7389 124.8349 59.8819 38.7322 174.7989 114 S 4.3997 7.9689 120.5092 56.4147 66.0345 174.2584 115 R 4.0077 8.5981 121.9020 55.5245 30.6597 175.5075 116 K 3.8651 8.5921 124.4908 58.5290 32.1110 176.6525 117 G 3.9578 9.0886 113.6368 45.5854 0.0000 172.2162 118 E 4.7998 7.8238 117.5287 53.2258 32.9278 174.1824 119 P 4.3420 0.0000 0.0000 61.4803 32.0530 175.0168 120 P 4.3331 0.0000 0.0000 63.1426 31.7511 175.8473 121 F 5.1870 8.0816 114.7057 56.2848 39.5800 174.3159 122 G 4.5112 7.4568 105.9360 46.6866 0.0000 172.1898 123 I 5.1755 8.1938 119.7724 59.2989 41.1045 174.8515 124 L 4.9791 9.1251 129.4145 53.9874 43.4758 175.0578 125 S 5.2012 9.1600 123.3279 56.8890 65.7457 173.8803 126 V 5.0773 8.2893 116.6513 59.7793 36.2980 174.5506 127 F 5.5088 9.5521 121.6792 56.0464 43.6314 173.3734 128 S 5.1617 9.1869 118.1168 56.5859 64.2849 174.3244 129 R 5.1131 9.3814 125.4721 56.0273 30.0864 176.7377 130 T 4.4439 7.9502 115.0258 64.5506 70.5126 174.2016 131 I 4.6333 7.8897 118.2685 59.3783 41.2841 174.3051 132 V 4.2983 8.1925 117.5824 61.0656 33.1033 176.6082 133 G 3.9423 8.8018 108.9949 45.7215 0.0000 175.4217 134 L 3.3472 7.0778 119.5167 57.3990 42.3603 178.0915 135 F 4.5313 7.0040 118.7230 56.0974 37.3855 174.9741 136 N 4.7023 7.4535 122.6633 51.6698 40.4276 175.9853 137 E 3.8920 8.5352 119.7048 58.7982 29.5841 177.6419 138 P 4.2263 0.0000 0.0000 66.1035 31.2239 178.2292 139 F 4.2599 8.7030 120.9628 60.7558 39.2500 176.9830 140 L 3.7647 8.0295 118.6576 57.5967 41.3173 179.1360 141 N 4.1985 8.2744 116.8522 56.4419 38.5840 177.1655 142 L 3.9459 7.6430 121.0439 58.0458 42.0592 178.9538 143 L 3.8237 7.6033 119.0008 57.7640 41.5102 179.3758 144 E 3.9004 8.0777 118.5264 59.1749 29.2859 179.7112 145 S 4.0599 7.9758 115.3968 61.4480 62.9631 176.0311 146 L 3.8987 8.3051 123.2279 58.4952 41.6645 179.0567 147 A 4.0892 8.2669 120.8129 55.0336 18.3003 179.8823 148 G 3.5602 8.2177 104.3628 48.0227 0.0000 176.0422 149 Q 4.1157 8.1937 120.3501 58.4041 28.7254 178.6917 150 L 4.0015 8.1622 120.0396 57.7903 41.7456 179.0873 151 A 4.3341 8.3619 121.1449 55.4368 18.2417 179.4573 152 Q 3.9307 8.3053 117.5494 59.4220 28.9775 178.3759 153 A 4.0358 7.7546 120.1761 55.0226 18.7176 179.5630 154 V 3.6522 8.0583 116.6712 66.2046 31.4903 178.1079 155 K 3.7003 7.6919 116.7467 59.6979 31.9955 178.5608 156 I 3.8260 7.5626 118.7384 64.4365 37.2136 176.1060 157 V 3.7879 7.5071 121.7561 63.0305 31.3627 175.3542 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 7 S 8.32 4.44 0.00 3.84 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 8 E 8.14 3.92 0.00 2.27 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 2.36 2.35 0.00 9 I 8.36 4.02 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.52 0.91 0.00 0.00 *11 N 8.30 4.71 0.00 3.02 2.89 0.00 0.00 7.02 7.66 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 12 R 8.22 3.97 0.00 1.96 1.97 0.00 3.12 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 13 T 8.34 3.89 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 14 L 7.87 4.04 0.00 1.83 1.72 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.24 4.45 0.00 2.91 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 16 L 7.93 3.93 0.00 1.67 1.93 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 7.94 4.13 0.00 2.18 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 18 I 7.42 3.92 2.00 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 1.52 0.49 0.95 0.00 0.00 19 I 7.55 3.84 2.06 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 1.54 0.84 0.94 0.00 0.00 *21 D 7.95 4.55 0.00 2.84 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 22 D 8.32 4.38 0.00 2.87 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 23 L 8.09 4.01 0.00 1.73 1.75 0.95 0.53 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 24 L 7.89 4.06 0.00 1.72 1.79 1.07 0.77 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 25 N 8.22 4.36 0.00 2.92 2.90 0.00 0.00 7.08 6.13 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 26 L 8.22 4.03 0.00 1.87 1.74 0.94 0.40 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 27 L 8.16 4.22 0.00 2.09 2.00 1.02 0.84 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 28 L 7.99 4.18 0.00 1.73 1.79 1.07 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.91 4.04 0.00 2.01 1.85 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.61 7.81 30 E 8.08 3.93 0.00 1.75 1.54 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 1.47 1.85 0.00 31 F 7.25 5.00 0.00 3.23 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 32 K 8.43 4.37 0.00 1.66 1.79 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.42 7.81 33 L 7.74 4.80 0.00 1.80 1.76 1.18 1.31 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 34 D 9.20 5.07 0.00 2.62 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 35 L 7.94 5.11 0.00 1.79 1.60 1.13 0.74 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 36 A 9.05 5.37 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 37 V 9.34 5.05 2.30 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 1.25 0.00 0.00 1.10 0.00 0.00 38 I 8.99 4.98 1.95 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 1.29 0.61 1.00 0.00 0.00 39 R 8.93 5.27 0.00 1.79 1.84 0.00 3.18 0.00 0.00 3.48 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 40 L 8.67 5.39 0.00 1.62 1.62 1.01 0.89 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 41 V 8.76 4.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.99 0.00 0.00 42 D 8.89 4.79 0.00 2.93 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 43 E 8.86 3.89 0.00 1.96 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 2.33 2.43 0.00 44 K 8.13 4.20 0.00 1.83 1.84 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.50 7.81 45 G 8.38 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 0.00 0.00 0.00 46 V 7.89 3.77 2.24 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 0.96 0.00 0.00 0.91 0.00 0.00 47 L 9.14 4.60 0.00 1.79 1.62 0.63 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.84 4.83 0.00 1.84 1.85 0.00 3.33 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.71 0.00 49 V 9.08 4.14 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 0.88 0.00 0.00 1.14 0.00 0.00 50 R 8.80 4.71 0.00 1.77 1.97 0.00 3.46 0.00 0.00 3.19 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.72 0.00 51 S 7.88 4.76 0.00 3.88 3.69 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 0.00 0.00 0.00 0.00 52 Y 7.75 5.34 0.00 3.13 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 53 S 9.08 4.59 0.00 3.93 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 9.40 4.54 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 0.00 0.00 0.00 55 K 8.12 4.57 0.00 1.86 1.82 0.00 1.57 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.42 7.81 56 G 8.82 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 57 I 7.75 3.39 1.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.84 0.43 0.00 0.00 58 A 7.84 4.35 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 59 G 7.52 4.18 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 0.00 60 I 9.80 3.59 1.96 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 1.21 0.75 0.78 0.00 0.00 61 A 7.74 4.30 0.44 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 62 G 7.77 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 0.00 0.00 0.00 0.00 63 K 7.88 4.32 0.00 1.41 1.35 0.00 1.72 0.00 0.00 1.46 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.25 1.39 7.81 64 D 7.95 4.81 0.00 2.39 2.49 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 65 W 9.00 4.75 0.00 3.22 3.10 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 66 E 8.99 4.51 0.00 1.91 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 2.31 2.28 0.00 67 P 0.00 4.47 0.00 2.37 1.97 0.00 3.78 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.85 0.00 68 E 8.34 4.77 0.00 2.07 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 2.34 2.35 0.00 69 I 8.40 3.78 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.44 0.90 0.00 0.00 70 E 8.17 3.97 0.00 1.96 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 2.29 2.32 0.00 71 T 6.99 4.46 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 72 Y 8.08 4.09 0.00 3.04 3.10 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 73 I 7.56 3.63 1.36 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.20 0.39 0.00 0.00 74 G 7.98 4.20 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 0.00 75 E 8.28 3.98 0.00 2.15 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 2.29 2.47 0.00 76 A 8.09 4.80 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 77 F 8.23 4.05 0.00 3.25 3.25 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 0.00 78 L 8.31 3.94 0.00 1.85 1.73 0.98 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.06 4.33 0.00 3.96 4.15 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 80 N 7.38 4.10 0.00 2.65 2.78 0.00 0.00 6.92 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 81 R 7.81 4.84 0.00 1.77 1.73 0.00 3.17 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 82 L 8.60 4.66 0.00 1.74 1.66 1.13 0.42 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 83 Q 8.99 4.76 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.76 0.00 84 F 7.88 4.73 0.00 2.48 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 85 V 7.55 3.94 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 0.00 0.00 0.91 0.00 0.00 0.16 0.00 0.00 86 N 8.99 4.68 0.00 2.89 2.97 0.00 0.00 6.47 8.08 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 87 D 7.96 4.98 0.00 2.72 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 88 T 9.14 4.02 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 89 Q 8.21 3.97 0.00 1.92 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.00 0.00 0.00 0.00 0.00 0.00 1.28 1.16 0.00 90 Y 7.43 4.73 0.00 3.01 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 *92 T 8.07 4.20 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 1.25 0.00 0.00 93 K 7.79 4.39 0.00 1.92 1.85 0.00 1.53 0.00 0.00 1.74 0.00 0.00 2.57 0.00 0.00 2.36 0.00 0.00 0.00 0.00 1.40 1.42 7.81 94 P 0.00 4.32 0.00 2.28 2.33 0.00 3.71 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 95 L 7.82 3.95 0.00 1.80 1.72 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 96 T 7.89 3.86 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 97 R 8.12 4.12 0.00 1.91 2.32 0.00 3.33 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.92 0.00 98 E 8.30 4.16 0.00 2.27 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 0.00 2.32 2.42 0.00 99 L 8.11 3.92 0.00 2.04 1.67 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 *101 Q 8.02 4.31 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.61 0.00 102 K 7.94 3.92 0.00 1.82 2.11 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.46 7.81 103 E 7.77 4.07 0.00 1.99 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 2.38 2.35 0.00 104 G 8.46 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 0.00 105 I 7.50 4.27 1.97 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 1.49 0.59 1.26 0.00 0.00 106 K 8.98 4.35 0.00 1.88 1.87 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.78 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.39 7.81 107 S 8.10 5.23 0.00 4.07 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 0.00 108 F 8.86 5.34 0.00 2.57 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 0.00 109 A 8.25 4.56 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 0.00 110 H 9.48 5.21 0.00 3.09 3.18 0.00 5.75 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 0.00 111 I 8.73 4.80 1.81 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.43 0.84 0.00 0.00 112 P 0.00 4.74 0.00 1.91 1.93 0.00 3.60 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 1.96 2.26 0.00 113 I 8.74 4.36 1.72 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 1.24 0.84 0.69 0.00 0.00 114 S 7.97 4.40 0.00 3.87 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 R 8.60 4.01 0.00 2.05 2.05 0.00 3.30 0.00 0.00 3.35 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.71 0.00 116 K 8.59 3.87 0.00 1.75 1.76 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.46 7.81 117 G 9.09 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 0.00 0.00 0.00 118 E 7.82 4.80 0.00 2.15 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 2.26 2.26 0.00 119 P 0.00 4.34 0.00 2.03 1.92 0.00 3.73 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.06 0.00 120 P 0.00 4.33 0.00 2.03 1.99 0.00 3.47 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.75 0.00 121 F 8.08 5.19 0.00 3.05 3.35 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 0.00 122 G 7.46 4.51 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 0.00 123 I 8.19 5.18 1.92 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.18 0.98 0.00 0.00 124 L 9.13 4.98 0.00 1.73 1.66 0.96 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 125 S 9.16 5.20 0.00 4.00 3.68 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 0.00 126 V 8.29 5.08 2.22 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 0.83 0.00 0.00 1.03 0.00 0.00 127 F 9.55 5.51 0.00 2.97 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 S 9.19 5.16 0.00 4.03 3.79 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 0.00 129 R 9.38 5.11 0.00 1.94 1.96 0.00 3.16 0.00 0.00 3.16 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.62 0.00 130 T 7.95 4.44 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 1.21 0.00 0.00 131 I 7.89 4.63 1.82 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 1.26 1.04 0.81 0.00 0.00 132 V 8.19 4.30 2.22 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 0.87 0.00 0.00 0.94 0.00 0.00 133 G 8.80 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 0.00 134 L 7.08 3.35 0.00 1.19 0.37 0.70 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 135 F 7.00 4.53 0.00 2.75 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 0.00 136 N 7.45 4.70 0.00 2.97 2.93 0.00 0.00 6.11 7.66 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 0.00 137 E 8.54 3.89 0.00 1.98 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 2.38 2.31 0.00 138 P 0.00 4.23 0.00 2.29 2.33 0.00 3.67 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.04 0.00 139 F 8.70 4.26 0.00 2.95 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 0.00 140 L 8.03 3.76 0.00 1.74 1.55 0.38 0.22 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 0.00 141 N 8.27 4.20 0.00 2.94 2.85 0.00 0.00 6.60 6.50 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 0.00 142 L 7.64 3.95 0.00 1.76 1.67 1.21 0.34 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 0.00 143 L 7.60 3.82 0.00 1.43 1.47 0.51 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 144 E 8.08 3.90 0.00 2.11 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 2.25 2.42 0.00 145 S 7.98 4.06 0.00 4.03 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 L 8.31 3.90 0.00 1.79 1.84 0.93 1.04 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 0.00 147 A 8.27 4.09 1.36 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 0.00 0.00 0.00 148 G 8.22 3.56 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 0.00 149 Q 8.19 4.12 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.60 0.00 150 L 8.16 4.00 0.00 1.91 1.78 0.95 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 151 A 8.36 4.33 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 0.00 152 Q 8.31 3.93 0.00 2.35 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 153 A 7.75 4.04 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 0.00 154 V 8.06 3.65 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 0.67 0.00 0.00 1.16 0.00 0.00 155 K 7.69 3.70 0.00 2.12 1.90 0.00 2.06 0.00 0.00 1.84 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.44 7.81 156 I 7.56 3.83 2.10 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 1.42 0.48 0.91 0.00 0.00 157 V 7.51 3.79 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 0.69 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.