NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.2989 8.3344 115.2818 57.7014 63.4031 173.0102 4 I 3.6118 8.2287 128.7361 58.6963 38.2260 174.1539 5 S 4.3629 9.2477 123.6771 58.1676 64.7043 173.7746 6 E 4.0385 8.6527 120.7400 59.4237 29.6493 179.5173 7 K 3.7287 7.6150 115.6480 57.7156 32.1017 178.0561 *9 V 4.0055 7.8093 118.8240 62.7258 33.2897 177.1556 10 E 4.0612 8.1305 119.7589 59.1519 29.3514 178.5952 11 A 4.0669 8.2328 120.7955 54.6881 18.2962 179.7125 12 L 3.9922 7.7636 117.4662 58.0681 41.8173 178.9360 13 N 4.4292 8.6418 116.8084 56.5435 38.4476 177.6329 14 R 4.0271 8.3180 119.5195 59.0477 30.1936 178.7406 15 Q 4.0362 7.9693 119.2244 58.8520 28.9123 177.9596 16 I 3.7540 8.1956 121.5368 64.6185 37.1821 177.4403 17 N 4.3188 8.1539 117.0478 57.1554 38.7020 176.6813 18 A 4.1306 8.1953 121.7427 55.0731 18.4110 179.5366 19 E 4.0857 8.9581 117.7571 59.6894 29.5546 179.5599 20 I 3.8012 8.2051 120.2193 64.5024 37.1445 177.9122 21 Y 4.2350 8.5142 120.6996 60.5782 38.6568 177.5724 22 S 3.7357 8.4782 116.1326 61.7488 63.0179 176.7425 23 A 4.2528 8.0012 123.0964 55.4240 18.1023 178.9766 24 Y 4.4263 8.1010 117.9774 60.2835 38.6580 177.4934 25 L 3.6302 7.6899 121.2931 58.2425 42.2081 178.3168 26 Y 4.5691 7.4599 115.3507 60.7020 38.0522 177.5449 27 L 3.9925 8.0712 121.7483 57.6263 42.0394 179.5010 28 S 4.3475 7.8871 112.3542 58.3489 62.3090 175.6342 *30 A 4.6036 8.0451 124.8362 51.8236 20.5710 179.8704 31 S 4.1674 7.8636 109.6790 61.4872 61.8804 175.8041 32 Y 4.1785 8.1779 122.5193 60.7132 38.5776 177.9578 33 F 4.0232 8.0649 118.2684 60.4001 39.1222 176.9888 34 D 4.4479 8.2297 118.9534 57.6854 40.5076 179.3200 35 S 4.2832 7.7987 112.9863 60.2714 62.7735 174.9776 36 I 4.2150 6.7669 113.8381 60.2900 37.4265 175.9964 37 G 3.8650 8.0943 107.1599 47.2823 0.0000 175.8304 38 L 4.6076 7.5655 122.4062 52.7611 40.2596 176.9588 39 K 4.1797 8.2964 123.4062 58.8602 32.2273 178.8218 40 G 3.4711 8.5232 106.3166 47.9008 0.0000 175.8019 41 F 3.7928 8.4387 119.3378 59.7510 38.8632 177.0777 42 S 4.4307 7.9665 111.7042 61.6516 62.4842 175.2288 43 N 4.4467 8.5146 119.8080 56.7269 38.5675 176.3961 44 W 3.8720 8.2930 128.6048 58.8296 31.6677 177.3764 *46 R 4.3992 7.9330 117.9379 55.9508 31.8211 178.0260 47 V 3.5585 7.8627 116.9991 66.0270 31.4263 177.8527 48 Q 3.8007 7.8953 119.0093 58.2208 28.7618 177.8197 49 W 4.3674 8.2522 129.5093 60.2727 30.6427 177.4215 50 Q 3.4611 7.8349 118.6016 59.1766 28.5635 177.8017 51 E 3.9537 7.7582 118.6703 59.3427 29.8642 178.3232 52 E 4.1442 8.2628 118.6017 58.8431 29.2591 179.5889 53 L 3.9930 7.2635 116.1617 55.5859 41.6745 177.8432 *55 H 4.9705 8.1500 117.5653 56.1617 30.4839 175.8959 56 A 4.2112 8.1960 119.1569 52.6670 17.3129 177.5817 *58 K 4.1082 8.0406 118.3055 57.8983 33.3236 177.1599 *60 F 4.7251 8.0431 120.7428 57.9060 41.1416 176.7395 61 D 4.5258 8.3224 119.8552 57.1386 40.5458 178.4809 62 F 3.9487 8.1127 121.3254 61.1593 39.4934 177.1029 63 V 3.3149 7.8359 117.5867 66.3705 31.0501 177.8147 64 S 4.1921 7.3690 112.5386 60.8036 61.9698 175.7992 65 E 3.8165 7.7220 120.3987 59.3868 29.2637 179.1098 66 R 3.8577 7.3610 116.2511 56.8795 30.2887 177.5553 67 G 3.8588 7.9288 106.8172 44.9451 0.0000 174.0410 68 G 3.7981 7.6147 108.8972 44.6712 0.0000 172.2713 69 R 4.5074 7.9480 118.2290 54.0574 32.5218 174.5744 70 V 4.1118 8.0106 124.4458 61.2239 31.9499 174.7103 71 K 4.2440 8.3216 128.6742 54.7042 33.2495 175.3399 72 L 4.3413 8.0749 126.1130 53.8571 42.8340 175.5808 73 Y 4.7033 8.0640 119.3208 55.4249 40.7757 175.3446 74 A 4.0968 8.5737 123.8692 52.7548 18.8769 177.2669 75 V 4.4007 8.0747 119.6104 60.8616 33.0808 175.5712 76 E 4.2699 8.7795 127.1536 55.5746 30.1544 176.4027 77 E 4.1607 8.8871 123.6574 56.1529 30.1053 174.7888 78 P 4.9244 0.0000 0.0000 60.6614 32.9562 173.8366 79 P 4.2718 0.0000 0.0000 63.3091 31.3628 176.1290 80 S 4.6384 7.7228 109.8218 56.2449 64.3943 173.5221 81 E 4.5196 6.8775 119.0821 54.4524 32.9239 174.7015 82 W 4.8631 7.2440 118.7061 55.1477 33.1384 176.0826 83 D 4.4407 8.8314 120.6397 57.0127 40.7615 177.2122 84 S 4.7302 7.8380 111.9316 55.7249 67.1582 175.0489 85 P 4.4844 0.0000 0.0000 66.1011 31.0802 178.4540 86 L 4.0579 8.0746 117.9598 58.1302 41.9979 178.5434 87 A 4.0453 8.3343 120.5285 55.1702 18.2838 179.1090 88 A 3.0289 8.1774 119.3696 55.5107 18.3366 180.0768 89 F 3.5785 8.4341 115.6750 60.3135 38.8898 177.9010 90 E 4.1477 9.0965 119.0510 59.6088 29.1751 178.7035 91 H 4.3251 8.6347 118.5651 59.2020 29.9461 177.4064 92 V 3.7374 7.9022 120.1977 66.3099 31.3637 177.4369 93 Y 4.2134 8.3673 119.2291 60.8537 38.6727 177.7022 94 E 3.8538 8.5616 119.6161 59.5566 29.4544 178.8802 95 H 4.2291 8.8075 118.7433 59.4347 29.9476 177.2882 96 E 4.0443 8.4759 120.4436 59.3109 29.2576 179.4840 97 V 3.4043 7.6481 118.4945 65.7951 31.4457 177.6848 98 N 4.2835 8.0619 117.0230 56.4310 38.7171 176.9842 99 V 3.5752 8.0039 120.0299 66.3626 31.5442 177.8551 100 T 3.8846 8.5381 115.8154 66.8277 68.3218 176.3370 101 K 3.9206 7.9546 121.1778 59.4170 32.1808 179.1226 102 R 4.1609 8.1164 119.7871 58.8725 30.0741 178.8894 103 I 3.7360 8.0768 119.8927 64.9694 37.0852 178.2112 104 H 4.2005 8.7920 117.2615 58.8469 28.5234 177.7371 105 E 4.0212 8.2483 120.5398 59.3548 29.0508 179.2869 106 L 4.1350 7.8071 118.1706 57.7524 41.7363 179.4978 107 V 3.8787 7.4860 117.0975 66.0024 31.5656 178.0000 108 E 3.9759 7.9503 113.7029 57.7145 29.7706 177.4557 *110 A 4.2331 7.6920 120.5256 52.3562 20.3270 178.9716 *112 Q 4.2312 8.1531 117.4953 57.3288 30.3589 176.4031 113 E 4.2352 8.2187 112.8480 55.7087 29.6709 176.3898 114 K 3.5180 7.7113 116.8582 57.2135 30.0495 176.3548 115 D 4.5427 7.9527 118.2370 52.9281 38.6198 175.0385 116 F 4.6482 7.6711 122.5581 60.1149 39.4384 176.6628 117 A 4.2159 8.1690 120.0207 55.7086 18.3428 179.7321 118 T 4.1869 8.8528 114.6196 66.6798 68.3106 176.2941 119 Y 4.1895 8.4153 121.2828 60.9024 39.1204 177.6907 120 N 4.4601 8.7916 117.8233 56.8132 39.1487 176.2016 121 F 3.9604 8.2207 122.0749 61.6551 39.2022 176.8709 122 L 4.2507 7.9277 116.8562 56.5393 41.4838 179.0945 123 Q 3.8304 7.8790 118.8993 58.3681 28.4401 178.1712 124 W 3.8234 7.6312 128.1932 60.7574 30.6058 177.6510 125 Y 3.7632 8.3371 116.8963 60.5779 37.1527 178.3197 126 V 3.5531 7.6827 118.7250 65.9469 31.5281 177.8605 127 A 3.8374 7.5261 119.3507 54.9122 18.4582 178.7754 128 E 3.5135 7.7399 118.1451 59.4499 29.5022 179.2028 129 Q 4.0303 8.1122 118.0446 58.5194 28.2413 176.5306 130 V 3.8862 7.5579 123.7875 63.5391 32.6900 176.4111 *131 E 4.3670 8.3136 115.1829 55.7758 32.0767 175.7003 132 E 4.1214 8.4394 120.2267 59.7776 29.6001 179.0709 133 E 4.1405 8.3948 118.1216 59.6867 29.6056 179.4959 134 A 4.1152 7.8217 119.7110 55.2595 18.0376 179.9020 135 S 4.1720 8.5625 113.7893 61.4995 62.8125 176.8607 136 A 4.0626 8.1953 123.3686 55.1407 18.3128 179.3906 137 L 3.5911 8.4500 119.3453 58.3540 42.0055 178.8711 138 D 4.3728 8.0998 118.8115 57.3167 40.6876 178.8086 139 I 3.5286 7.1125 119.7822 63.6737 37.2201 178.1818 140 V 3.5817 7.7381 119.2722 66.3512 31.3353 178.0267 141 E 3.9361 8.6144 118.2739 59.3126 29.2749 179.4246 142 K 3.9433 8.1481 118.8076 59.3963 31.8945 179.0237 143 L 4.2397 7.8266 117.4476 56.5276 41.9306 179.3921 144 R 4.0669 7.8671 118.3868 59.9868 29.9818 177.7268 145 L 3.5748 7.6434 115.4497 58.5249 42.2412 178.5498 146 I 3.7503 8.5736 118.8062 62.0402 37.5735 180.3400 147 G 3.7503 8.0778 103.8772 46.7853 0.0000 174.7680 148 E 4.2238 9.1312 124.5973 56.6322 30.5229 175.9339 149 D 4.4565 7.9875 119.3437 53.9282 41.6970 176.5043 150 K 4.0817 8.5741 128.1869 59.3539 32.2936 179.5340 151 R 3.9703 8.1156 117.9352 59.1360 30.1896 178.5245 152 A 4.2153 8.3101 120.0023 54.2833 18.4086 179.4000 153 L 4.0490 7.6929 119.4312 58.2894 42.1595 179.0066 154 L 4.1115 8.0639 118.6755 57.1467 41.5811 179.1886 155 F 3.9951 8.1466 120.5583 61.2217 39.4058 176.9526 156 L 3.8571 8.0516 119.6626 57.8737 41.8288 178.0564 157 D 4.1941 8.4891 118.4903 57.4197 40.9024 178.2915 158 K 3.7333 7.6299 118.2136 59.5658 32.5383 177.9366 159 E 3.8737 7.7372 118.5767 59.6221 29.5021 179.5143 160 L 4.0685 7.5752 118.4962 57.0403 41.4419 179.1396 161 S 4.3222 7.7020 113.0330 60.1768 63.1086 175.4686 162 L 4.1727 7.4364 121.0963 54.8094 42.0119 176.9348 163 R 4.0906 7.2439 119.6554 56.0625 30.7950 176.1675 164 Q 4.2288 8.4202 121.7629 56.0849 29.1518 175.5095 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 3 S 8.33 4.30 0.00 3.81 3.81 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 4 I 8.23 3.61 1.78 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 1.45 1.20 0.87 0.00 0.00 5 S 9.25 4.36 0.00 4.00 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 6 E 8.65 4.04 0.00 2.04 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 2.38 2.28 0.00 7 K 7.61 3.73 0.00 1.88 1.77 0.00 1.66 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.39 7.81 *9 V 7.81 4.01 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 0.91 0.00 0.00 0.91 0.00 0.00 10 E 8.13 4.06 0.00 2.20 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 2.39 0.00 11 A 8.23 4.07 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.76 3.99 0.00 1.89 1.77 1.03 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.64 4.43 0.00 3.06 3.10 0.00 0.00 7.09 7.29 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 14 R 8.32 4.03 0.00 1.99 1.92 0.00 3.02 0.00 0.00 2.55 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.78 0.00 15 Q 7.97 4.04 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 16 I 8.20 3.75 2.21 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 1.53 0.92 1.07 0.00 0.00 17 N 8.15 4.32 0.00 3.03 3.10 0.00 0.00 7.21 9.18 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 18 A 8.20 4.13 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 19 E 8.96 4.09 0.00 2.20 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 0.00 2.67 2.66 0.00 20 I 8.21 3.80 2.09 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 1.40 0.74 0.94 0.00 0.00 21 Y 8.51 4.24 0.00 3.15 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 22 S 8.48 3.74 0.00 4.22 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 23 A 8.00 4.25 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 8.10 4.43 0.00 3.29 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 25 L 7.69 3.63 0.00 0.79 1.21 0.96 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 7.46 4.57 0.00 3.29 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 27 L 8.07 3.99 0.00 0.98 1.39 0.27 -0.31 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 28 S 7.89 4.35 0.00 3.86 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 *30 A 8.05 4.60 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 31 S 7.86 4.17 0.00 3.87 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.18 4.18 0.00 3.25 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 33 F 8.06 4.02 0.00 3.16 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 34 D 8.23 4.45 0.00 2.90 2.75 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 35 S 7.80 4.28 0.00 4.05 4.22 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 36 I 6.77 4.21 1.74 0.00 0.00 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 1.04 0.56 0.68 0.00 0.00 37 G 8.09 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 0.00 0.00 0.00 0.00 38 L 7.57 4.61 0.00 1.75 1.92 0.63 0.71 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 39 K 8.30 4.18 0.00 1.78 1.88 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.56 1.47 7.81 40 G 8.52 3.47 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 0.00 41 F 8.44 3.79 0.00 2.02 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 42 S 7.97 4.43 0.00 4.11 4.10 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 43 N 8.51 4.45 0.00 2.86 3.07 0.00 0.00 6.89 7.98 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 44 W 8.29 3.87 0.00 3.30 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 *46 R 7.93 4.40 0.00 2.14 2.12 0.00 3.26 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.62 0.00 47 V 7.86 3.56 1.96 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 0.78 0.00 0.00 0.92 0.00 0.00 48 Q 7.90 3.80 0.00 1.33 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.59 0.00 0.00 0.00 0.00 0.00 1.73 2.41 0.00 49 W 8.25 4.37 0.00 3.79 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Q 7.83 3.46 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.74 0.00 0.00 0.00 0.00 0.00 2.29 2.23 0.00 51 E 7.76 3.95 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 2.11 2.30 0.00 52 E 8.26 4.14 0.00 2.12 2.25 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 2.73 2.81 0.00 53 L 7.26 3.99 0.00 1.46 1.39 0.58 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 *55 H 8.15 4.97 0.00 3.53 3.82 0.00 5.72 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.20 4.21 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 *58 K 8.04 4.11 0.00 1.70 1.97 0.00 0.94 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.55 1.44 7.81 *60 F 8.04 4.73 0.00 3.18 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 D 8.32 4.53 0.00 2.99 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 62 F 8.11 3.95 0.00 2.50 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 63 V 7.84 3.31 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 0.80 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.09 0.00 0.00 141 E 8.61 3.94 0.00 2.15 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 2.28 2.33 0.00 142 K 8.15 3.94 0.00 1.78 1.80 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.53 7.81 143 L 7.83 4.24 0.00 1.84 1.75 1.01 0.89 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 0.00 144 R 7.87 4.07 0.00 2.00 1.95 0.00 3.14 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 145 L 7.64 3.57 0.00 1.73 1.82 0.90 1.05 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 0.00 146 I 8.57 3.75 2.07 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 1.47 0.49 0.96 0.00 0.00 147 G 8.08 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 0.00 0.00 0.00 148 E 9.13 4.22 0.00 1.97 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 2.26 2.23 0.00 149 D 7.99 4.46 0.00 2.73 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 0.00 150 K 8.57 4.08 0.00 1.85 1.85 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.71 7.81 151 R 8.12 3.97 0.00 1.82 2.00 0.00 3.30 0.00 0.00 3.36 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.65 0.00 152 A 8.31 4.22 1.32 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 0.00 0.00 0.00 153 L 7.69 4.05 0.00 1.76 1.93 0.86 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 154 L 8.06 4.11 0.00 1.97 1.74 0.95 0.87 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 0.00 155 F 8.15 4.00 0.00 3.19 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 0.00 156 L 8.05 3.86 0.00 2.03 1.97 0.74 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 157 D 8.49 4.19 0.00 3.17 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 0.00 158 K 7.63 3.73 0.00 1.77 1.55 0.00 1.71 0.00 0.00 1.64 0.00 0.00 3.12 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.41 7.81 159 E 7.74 3.87 0.00 1.91 1.77 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 2.06 2.38 0.00 160 L 7.58 4.07 0.00 1.48 1.55 0.59 -0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 161 S 7.70 4.32 0.00 4.01 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 0.00 162 L 7.44 4.17 0.00 1.80 1.70 0.83 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 163 R 7.24 4.09 0.00 1.89 1.76 0.00 2.57 0.00 0.00 2.82 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 164 Q 8.42 4.23 0.00 2.01 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.42 0.00 0.00 0.00 0.00 0.00 2.41 2.22 0.00 * Residues marked with a * may have inaccurate shift predictions.