NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 25 S 4.4100 8.1933 115.2919 57.5232 64.4332 175.3329 26 L 4.1115 7.8742 120.6684 57.8304 41.3157 175.5130 27 E 4.0386 8.5383 118.5696 59.8175 29.8659 178.1801 28 L 3.7518 7.3965 118.7385 58.5858 41.9108 179.1242 29 W 4.7060 7.8122 117.7684 59.7199 29.2031 178.2277 30 L 3.5944 8.8319 120.8045 58.2076 41.3991 178.8851 31 N 4.3757 8.4581 116.5452 56.2265 38.2552 177.5656 32 K 3.9972 8.0031 118.6482 59.5388 32.2936 179.0909 33 A 4.0754 8.5289 120.1804 53.9722 18.2179 178.1837 34 T 4.5128 7.2625 105.7487 61.2447 69.2915 173.5410 35 D 4.3925 7.9155 122.8940 54.3539 40.4594 175.1353 36 P 4.3528 0.0000 0.0000 64.4531 31.4091 177.5642 37 S 4.2703 8.8901 113.9069 60.3622 63.3030 174.2769 38 M 4.2838 8.2908 122.5024 54.8276 31.4665 177.3009 39 S 3.9763 8.8380 119.8170 60.3406 63.4195 174.2248 40 E 4.7725 7.5972 120.4490 53.6949 32.3166 174.8592 41 Q 3.3364 8.5057 126.3613 56.1651 29.7538 176.7328 42 D 4.6099 7.7842 123.5069 52.5949 39.5337 176.6248 43 W 4.0551 8.3298 124.7598 59.2283 29.3750 177.3894 44 S 4.0433 8.2752 112.4188 61.3051 61.8000 175.9249 45 A 3.8279 8.6277 123.8439 55.0382 18.1465 179.5353 46 I 3.5929 7.6326 118.2387 64.7413 37.1451 178.5688 47 Q 3.9772 8.3343 118.9846 59.1398 28.5692 178.7306 48 N 3.9039 7.9100 117.3769 55.9797 38.2700 177.1926 49 F 4.0562 8.2244 121.9501 61.7356 39.4703 176.7165 50 C 4.1074 8.4112 116.0326 59.5030 37.7147 175.7039 51 E 3.7709 8.2641 121.3858 59.3292 28.9992 178.6507 52 Q 3.9119 8.0173 116.9278 59.2464 28.8957 178.7676 53 V 3.5072 7.1126 117.5253 66.2986 31.6309 177.2757 54 N 4.5468 7.8355 115.3251 54.7631 39.7878 175.6037 55 T 4.6300 7.7930 119.2294 58.7441 65.7352 173.5454 56 D 5.0393 6.9197 127.1122 53.2715 44.3171 175.5330 57 P 4.3586 0.0000 0.0000 65.0253 31.6950 176.5801 58 N 4.8521 9.3786 115.8926 52.8450 39.7123 176.5458 59 G 3.7675 8.0910 106.8113 47.7172 0.0000 173.9500 60 P 4.5407 0.0000 0.0000 63.8353 31.4842 177.7077 61 T 4.4549 7.8909 107.9304 62.8891 69.7139 175.5609 62 H 5.0111 8.0997 117.6343 57.1530 30.4687 175.8470 63 A 4.2361 8.1412 122.9755 55.1557 18.1093 177.7010 64 P 4.0915 0.0000 0.0000 66.0178 30.8527 178.4265 65 W 4.5885 7.2130 118.1572 59.4124 28.9868 178.6158 66 L 4.2003 8.1383 118.6215 57.7912 41.1713 179.1948 67 L 4.0437 8.7771 120.5481 57.8772 41.8410 178.6924 68 A 4.0591 8.2110 120.3650 55.5680 18.6830 178.7337 69 H 4.5690 8.3194 117.8720 58.8963 29.8475 177.3661 70 K 3.9752 8.0117 121.4883 59.5292 31.7715 178.6063 71 I 3.9455 7.7122 118.8663 63.3084 37.4286 177.1664 72 Q 4.4270 7.8536 118.0475 54.7769 28.8372 175.3912 73 S 4.2300 7.2782 116.5002 57.8385 62.7718 172.4890 74 P 4.8314 0.0000 0.0000 63.4754 31.6871 176.6731 75 Q 4.2716 8.2158 120.5527 54.4295 29.2219 175.3491 76 E 3.8232 8.6629 126.1394 59.5840 29.5439 178.5561 77 K 3.5536 7.8745 118.5649 59.4292 32.1695 178.1586 78 E 3.8324 7.8980 118.7461 59.0773 29.6594 178.5519 79 A 4.1816 7.9899 120.8513 55.1553 18.4642 179.6095 80 L 3.9761 8.3914 117.8698 58.0680 41.6514 179.2115 81 Y 4.3385 8.3130 116.8739 61.2829 37.7823 178.6686 82 A 3.9775 8.1462 121.4235 55.2928 18.3856 179.6863 83 L 4.0396 8.0413 117.3801 58.2379 41.6659 179.8830 84 T 3.9163 8.0908 115.8361 66.5133 68.2983 176.8146 85 V 3.5059 7.8077 120.2266 65.9219 31.6684 177.6999 86 L 4.2075 8.3574 120.4111 58.4732 41.6882 178.9027 87 E 4.2822 8.4493 117.6858 59.4878 29.7324 178.6409 88 M 4.2685 8.3198 118.2701 59.1360 32.4204 177.7507 89 C 4.1464 8.6249 116.8644 60.1400 39.9432 176.0739 90 M 4.2933 7.8834 119.2863 58.3128 31.6310 177.9115 91 N 4.6189 8.1324 115.2577 54.6867 39.0356 175.4247 92 H 4.9037 7.8850 113.9254 55.5535 30.4055 173.6360 93 C 5.1749 7.4822 115.3689 57.5168 29.3218 175.6743 94 G 3.8471 7.7838 109.6459 45.1507 0.0000 173.0957 95 E 3.8956 8.8191 117.0271 59.7716 27.7041 180.1511 96 K 3.9954 8.0122 117.7066 59.0297 32.0778 178.7261 97 F 4.4232 7.9535 120.3477 60.9831 39.6285 176.9750 98 H 3.7495 8.1689 116.1618 59.0639 28.2649 177.8946 99 S 3.9640 8.1701 115.9046 61.3480 62.8221 176.2095 100 E 3.9455 7.3329 121.0282 59.2931 29.2714 178.9029 101 V 2.6726 6.6133 117.0069 65.4379 31.3834 177.0477 102 A 4.1644 7.1319 117.7062 51.8585 18.9199 177.5355 103 K 4.4752 7.7833 118.3335 55.4122 33.4944 177.9479 104 F 3.9818 9.3129 120.4246 61.0329 38.5615 177.8979 105 R 4.0182 8.3317 116.5782 59.5722 30.1206 177.8937 106 F 4.4868 8.5858 119.7295 61.3888 39.6427 176.9691 107 L 4.0737 8.5586 119.0208 58.1772 41.3466 179.4172 108 N 4.3023 8.6002 116.6776 56.2132 38.1902 177.3178 109 E 3.9514 7.7912 119.4580 59.1465 29.8128 179.0659 110 L 3.9966 7.4400 118.6652 57.7971 41.8960 179.3321 111 I 3.6438 7.7815 119.7937 64.1917 36.6902 178.3975 112 K 3.8827 7.8769 120.5472 59.3313 31.7272 179.0418 113 V 3.5597 7.3850 117.7787 65.2435 31.5199 177.2415 114 L 4.2493 7.3569 116.3235 54.6717 42.1447 177.0374 115 S 4.4115 6.9548 116.1838 57.2863 64.2191 172.8667 116 P 5.3814 0.0000 0.0000 62.0304 31.9320 174.6564 *119 L 4.2098 8.6919 118.7486 53.9048 43.8102 179.4121 120 G 4.2861 8.1164 111.6036 45.5370 0.0000 172.5115 121 S 4.6872 7.9191 112.7478 57.5260 65.0777 177.3651 122 W 4.4811 8.2856 121.4893 59.0216 29.2825 176.2872 123 A 4.5369 7.2212 118.4501 51.3781 19.2241 177.8316 124 T 4.4561 8.2354 112.7298 60.8523 71.6110 176.3716 125 G 3.8377 8.4748 107.6903 47.4580 0.0000 175.9966 126 K 3.9399 7.9231 121.6192 59.4010 32.3512 178.8811 127 V 3.5775 7.6574 118.3248 65.9602 31.4757 178.0460 128 K 4.0065 8.6335 118.6624 59.4555 31.9447 179.4409 129 G 3.6435 8.3449 106.2969 47.9407 0.0000 175.7145 130 R 3.9298 8.1823 121.2358 58.9131 30.0718 178.6932 131 V 3.4971 7.9509 118.2635 66.0083 31.4974 177.9907 132 I 3.7561 7.7844 119.4360 64.4607 36.9106 178.3024 133 E 3.9822 8.1071 119.1563 59.4383 29.3583 179.4079 134 I 3.4997 7.7235 119.7904 64.3122 36.9335 178.2865 135 L 3.5234 7.7835 120.0327 57.8878 42.2638 178.4874 136 F 3.5198 8.6882 121.3747 60.9346 39.3528 177.2337 137 S 3.3384 8.2721 114.3616 61.0736 62.5386 176.6184 138 W 4.5083 7.9806 122.6053 59.6598 28.4350 178.5454 139 T 4.1100 7.4489 109.3127 64.3176 67.8717 176.8458 140 V 3.4173 6.7175 120.0601 65.2994 31.7239 177.5614 141 W 4.5209 7.9743 118.2220 58.3006 30.2588 176.6317 142 F 5.0701 8.3630 116.7699 55.0010 38.7807 174.0990 143 P 4.5071 0.0000 0.0000 64.8072 31.5290 178.0332 144 E 4.1482 8.1399 117.1429 58.2233 30.1936 176.5197 145 D 4.4239 8.2615 118.9642 54.4875 41.8616 176.8966 146 I 3.9039 8.4633 128.8820 64.1154 37.1751 178.5304 147 K 4.2991 8.2556 119.1755 59.6325 32.0455 179.2922 148 I 3.8109 8.8417 120.3980 64.2743 36.9769 178.2002 149 R 3.9569 8.1436 119.5221 59.7543 29.8465 178.1102 150 D 4.4032 8.9269 118.8024 57.3906 40.9329 178.5815 151 A 3.8783 8.2333 121.4438 55.4682 18.3312 179.0868 152 Y 3.8618 8.2042 117.7628 60.8073 38.9153 178.0651 153 Q 3.9952 8.5491 119.3516 59.2654 28.9147 178.3733 154 M 3.9461 8.6700 119.4759 58.9250 32.1903 178.1511 155 L 3.8967 7.7908 118.7394 57.8715 41.7504 179.7954 156 K 4.0663 7.7641 118.2905 58.9060 31.7050 179.4940 157 K 3.9296 8.1393 118.6195 59.6854 32.1666 178.6669 158 Q 4.3273 7.8448 114.1889 55.5225 28.5436 176.5827 159 G 3.9270 7.8098 107.5968 46.4651 0.0000 175.4767 160 I 3.6819 7.9464 122.7451 63.1669 37.1295 176.4209 161 I 4.2254 7.3777 121.1782 59.5900 37.8195 176.1905 162 K 4.0981 8.3618 127.3470 56.0399 30.4909 173.9236 163 Q 2.9382 8.0399 116.1622 56.6468 27.3644 173.0780 164 D 4.2904 7.7845 120.3181 53.6167 44.3877 173.9280 165 P 4.5996 0.0000 0.0000 62.8275 32.0100 175.5916 166 K 4.2362 8.3316 113.6795 57.5453 33.7310 177.0044 167 L 4.4446 7.6829 114.3633 54.1522 43.2814 171.4164 168 P 4.0614 0.0000 0.0000 62.8237 31.3599 176.8917 169 V 4.2638 8.4154 116.0046 61.0813 31.9492 175.9352 170 D 4.4812 7.7704 125.6531 54.7208 41.8443 175.0974 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 25 S 8.19 4.41 0.00 3.87 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 0.00 26 L 7.87 4.11 0.00 2.02 1.89 0.95 0.52 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 27 E 8.54 4.04 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 2.48 2.44 0.00 28 L 7.40 3.75 0.00 1.57 1.32 0.63 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 29 W 7.81 4.71 0.00 3.65 3.44 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 30 L 8.83 3.59 0.00 1.72 1.87 0.15 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 31 N 8.46 4.38 0.00 2.89 2.86 0.00 0.00 7.08 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 32 K 8.00 4.00 0.00 2.16 2.03 0.00 2.00 0.00 0.00 2.01 0.00 0.00 2.85 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.63 7.81 33 A 8.53 4.08 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 34 T 7.26 4.51 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 1.18 0.00 0.00 35 D 7.92 4.39 0.00 2.83 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 36 P 0.00 4.35 0.00 2.15 2.07 0.00 3.84 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.93 0.00 37 S 8.89 4.27 0.00 3.97 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 38 M 8.29 4.28 0.00 2.33 2.27 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.91 0.00 39 S 8.84 3.98 0.00 4.02 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 40 E 7.60 4.77 0.00 1.94 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 2.35 2.37 0.00 41 Q 8.51 3.34 0.00 1.02 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.12 0.00 0.00 0.00 0.00 0.00 1.34 1.20 0.00 42 D 7.78 4.61 0.00 2.70 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 W 8.33 4.06 0.00 3.41 3.27 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 44 S 8.28 4.04 0.00 3.89 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.63 3.83 1.61 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 46 I 7.63 3.59 2.02 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.83 0.88 0.00 0.00 47 Q 8.33 3.98 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.79 0.00 0.00 0.00 0.00 0.00 2.41 2.75 0.00 48 N 7.91 3.90 0.00 1.56 1.42 0.00 0.00 6.70 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 49 F 8.22 4.06 0.00 3.27 3.24 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 0.00 50 C 8.41 4.11 0.00 3.00 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 51 E 8.26 3.77 0.00 2.15 1.93 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 2.20 2.32 0.00 52 Q 8.02 3.91 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.63 0.00 0.00 0.00 0.00 0.00 2.64 2.80 0.00 53 V 7.11 3.51 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 0.68 0.00 0.00 0.46 0.00 0.00 54 N 7.84 4.55 0.00 2.77 2.79 0.00 0.00 6.93 7.93 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 55 T 7.79 4.63 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 56 D 6.92 5.04 0.00 2.71 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.36 0.00 2.23 2.18 0.00 3.79 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 2.01 2.00 0.00 58 N 9.38 4.85 0.00 2.89 2.95 0.00 0.00 6.68 7.06 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 59 G 8.09 3.77 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 60 P 0.00 4.54 0.00 2.06 2.17 0.00 3.69 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.26 0.00 61 T 7.89 4.45 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 1.25 0.00 0.00 62 H 8.10 5.01 0.00 3.27 3.47 0.00 5.66 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.14 4.24 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 64 P 0.00 4.09 0.00 0.88 1.57 0.00 3.48 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 0.91 1.75 0.00 65 W 7.21 4.59 0.00 3.67 3.49 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 66 L 8.14 4.20 0.00 2.08 1.90 1.13 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.78 4.04 0.00 2.15 2.06 0.93 1.34 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 68 A 8.21 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 69 H 8.32 4.57 0.00 3.38 3.60 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.01 3.98 0.00 2.15 1.82 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.44 1.55 7.81 71 I 7.71 3.95 2.06 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.87 0.92 0.00 0.00 72 Q 7.85 4.43 0.00 2.32 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.98 0.00 0.00 0.00 0.00 0.00 2.33 2.55 0.00 73 S 7.28 4.23 0.00 3.79 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 74 P 0.00 4.83 0.00 1.95 1.64 0.00 3.26 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.29 0.00 75 Q 8.22 4.27 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.71 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 76 E 8.66 3.82 0.00 1.99 1.91 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 2.33 2.37 0.00 77 K 7.87 3.55 0.00 1.61 1.49 0.00 1.73 0.00 0.00 1.55 0.00 0.00 2.82 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.30 0.80 7.81 78 E 7.90 3.83 0.00 2.01 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 2.36 2.38 0.00 79 A 7.99 4.18 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.39 3.98 0.00 1.59 1.77 0.88 0.85 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 81 Y 8.31 4.34 0.00 3.08 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 82 A 8.15 3.98 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 83 L 8.04 4.04 0.00 1.92 1.78 0.93 0.53 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 84 T 8.09 3.92 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 1.05 0.00 0.00 85 V 7.81 3.51 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 0.81 0.00 0.00 0.74 0.00 0.00 86 L 8.36 4.21 0.00 2.00 2.03 1.34 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.45 4.28 0.00 2.25 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 2.54 2.78 0.00 88 M 8.32 4.27 0.00 2.32 2.28 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.77 0.00 89 C 8.62 4.15 0.00 2.56 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 0.00 0.00 0.00 0.00 90 M 7.88 4.29 0.00 2.32 2.62 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.23 3.49 0.00 91 N 8.13 4.62 0.00 2.67 2.66 0.00 0.00 6.81 7.58 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 92 H 7.88 4.90 0.00 3.05 3.21 0.00 5.65 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 7.48 5.17 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 94 G 7.78 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 E 8.82 3.90 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 96 K 8.01 4.00 0.00 1.84 1.85 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.48 7.81 97 F 7.95 4.42 0.00 2.97 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 98 H 8.17 3.75 0.00 3.25 2.93 0.00 5.69 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 S 8.17 3.96 0.00 3.70 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 E 7.33 3.95 0.00 1.90 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 2.62 2.37 0.00 101 V 6.61 2.67 1.14 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 -0.17 0.00 0.00 -0.44 0.00 0.00 102 A 7.13 4.16 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 0.00 103 K 7.78 4.48 0.00 2.12 1.92 0.00 1.92 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.52 1.78 7.81 104 F 9.31 3.98 0.00 3.12 3.24 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 0.00 105 R 8.33 4.02 0.00 1.91 2.32 0.00 2.72 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 106 F 8.59 4.49 0.00 3.25 3.41 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 0.00 107 L 8.56 4.07 0.00 1.70 1.64 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 108 N 8.60 4.30 0.00 3.02 2.86 0.00 0.00 6.96 7.27 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 0.00 109 E 7.79 3.95 0.00 1.72 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 2.66 2.67 0.00 110 L 7.44 4.00 0.00 1.75 1.59 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.78 3.64 1.92 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.95 0.83 0.00 0.00 112 K 7.88 3.88 0.00 1.99 1.88 0.00 1.54 0.00 0.00 1.46 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.27 1.33 7.81 113 V 7.38 3.56 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.95 0.00 0.00 114 L 7.36 4.25 0.00 1.71 1.62 0.84 0.76 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 0.00 115 S 6.95 4.41 0.00 3.88 3.70 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 0.00 116 P 0.00 5.38 0.00 2.14 1.89 0.00 3.34 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.86 0.00 *119 L 8.69 4.21 0.00 1.63 1.52 0.92 0.92 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 0.00 120 G 8.12 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 S 7.92 4.69 0.00 3.89 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 0.00 122 W 8.29 4.48 0.00 3.35 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 A 7.22 4.54 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 0.00 124 T 8.24 4.46 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 1.25 0.00 0.00 125 G 8.47 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 K 7.92 3.94 0.00 1.83 1.94 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.49 7.81 127 V 7.66 3.58 2.31 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 0.98 0.00 0.00 0.92 0.00 0.00 128 K 8.63 4.01 0.00 1.98 1.81 0.00 1.71 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.55 7.81 129 G 8.34 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 0.00 130 R 8.18 3.93 0.00 1.95 2.05 0.00 3.20 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 131 V 7.95 3.50 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 0.85 0.00 0.00 0.92 0.00 0.00 132 I 7.78 3.76 2.04 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.55 0.96 0.00 0.00 133 E 8.11 3.98 0.00 2.18 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 2.30 2.45 0.00 134 I 7.72 3.50 1.72 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 1.50 0.89 0.13 0.00 0.00 135 L 7.78 3.52 0.00 1.53 1.93 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 136 F 8.69 3.52 0.00 3.05 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 0.00 137 S 8.27 3.34 0.00 3.16 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 W 7.98 4.51 0.00 3.67 3.46 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 0.00 139 T 7.45 4.11 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 0.92 0.00 0.00 140 V 6.72 3.42 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.22 0.00 0.00 141 W 7.97 4.52 0.00 2.00 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 0.00 0.00 0.00 142 F 8.36 5.07 0.00 3.09 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 0.00 143 P 0.00 4.51 0.00 2.18 2.20 0.00 3.48 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 144 E 8.14 4.15 0.00 2.04 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 2.33 2.27 0.00 145 D 8.26 4.42 0.00 2.78 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 0.00 146 I 8.46 3.90 1.95 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 1.69 0.90 1.06 0.00 0.00 147 K 8.26 4.30 0.00 2.12 2.15 0.00 1.92 0.00 0.00 2.19 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.86 1.69 7.81 148 I 8.84 3.81 2.14 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 1.60 1.02 1.13 0.00 0.00 149 R 8.14 3.96 0.00 2.04 2.11 0.00 3.16 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 150 D 8.93 4.40 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 0.00 151 A 8.23 3.88 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 Y 8.20 3.86 0.00 3.24 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 0.00 153 Q 8.55 4.00 0.00 2.37 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.52 0.00 0.00 0.00 0.00 0.00 2.62 2.59 0.00 154 M 8.67 3.95 0.00 2.15 2.11 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 2.60 2.68 0.00 155 L 7.79 3.90 0.00 1.57 1.50 0.81 0.70 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 0.00 156 K 7.76 4.07 0.00 1.87 1.79 0.00 1.81 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.23 1.11 7.81 157 K 8.14 3.93 0.00 1.84 1.87 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.66 1.64 7.81 158 Q 7.84 4.33 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.54 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 159 G 7.81 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 0.00 160 I 7.95 3.68 1.88 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.77 0.83 0.00 0.00 161 I 7.38 4.23 1.61 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.38 0.78 0.00 0.00 162 K 8.36 4.10 0.00 1.70 1.73 0.00 1.86 0.00 0.00 1.67 0.00 0.00 3.08 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.40 7.81 163 Q 8.04 2.94 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.03 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 164 D 7.78 4.29 0.00 2.57 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 0.00 165 P 0.00 4.60 0.00 2.05 1.81 0.00 2.44 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.62 0.00 166 K 8.33 4.24 0.00 1.71 1.84 0.00 1.76 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.30 1.31 7.81 167 L 7.68 4.44 0.00 1.53 1.52 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 168 P 0.00 4.06 0.00 2.39 2.13 0.00 3.81 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.22 0.00 169 V 8.42 4.26 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 0.77 0.00 0.00 0.97 0.00 0.00 170 D 7.77 4.48 0.00 2.68 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 * Residues marked with a * may have inaccurate shift predictions.