NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5378 8.3049 118.3329 55.0994 31.8442 172.9332 2 E 4.5648 8.8673 126.4401 54.7728 32.4374 173.1748 3 I 4.9434 9.1356 125.7133 59.7689 39.7707 174.8703 4 K 4.8134 8.8536 124.8177 54.3538 36.0285 175.3192 5 I 4.0638 8.4056 117.5655 60.8514 37.8870 175.1430 6 L 4.6105 8.3582 126.4912 55.6676 44.2207 177.0754 7 K 4.0922 7.4150 115.1732 55.9208 35.5125 173.8467 8 S 5.0606 9.0500 122.8022 55.1174 63.3345 171.1119 9 E 4.3738 8.6691 125.0487 54.3404 29.7748 175.7269 10 S 3.9668 8.4217 122.4665 58.4096 62.3419 172.2070 11 N 5.1706 8.2583 116.1816 53.5702 40.3254 173.6469 12 Y 5.0953 8.1780 118.8481 55.9606 42.9361 173.7580 13 L 4.9196 7.7189 123.9831 53.5656 46.4529 174.2174 14 E 4.8122 9.4823 127.0181 54.4912 32.1713 173.9693 15 L 5.1882 8.6735 129.7268 53.1324 45.1020 174.4084 16 E 4.9854 8.6933 127.4775 54.5221 31.9008 174.4740 17 I 4.5972 8.6917 128.1813 59.6094 39.4960 174.1036 18 E 4.4677 9.6580 131.4041 53.0459 27.6522 177.0261 19 G 4.9979 7.3070 122.6643 45.6342 0.0000 170.0611 20 E 4.7975 7.8956 118.5717 54.4742 32.5730 175.2706 21 D 5.1992 7.9450 119.9757 52.7433 41.2607 176.6476 22 H 4.1549 9.2364 112.6092 59.8109 28.5643 176.9289 23 T 3.8086 7.9090 115.8151 67.0013 68.6142 175.7919 24 L 4.0519 7.7885 121.1396 58.1720 42.2627 178.7610 25 G 3.4886 7.5034 105.0673 48.0632 0.0000 174.9029 26 N 3.7337 7.6258 119.1519 55.9475 38.6724 176.8828 27 L 3.9087 7.4895 121.1931 57.8668 42.4268 178.7857 28 I 3.7554 7.4896 119.1011 64.4307 37.3781 178.1021 29 A 4.0960 7.7711 121.7088 55.1489 17.9427 179.9065 30 G 3.6357 7.8975 103.3942 47.3981 0.0000 175.0491 31 T 4.5098 7.3807 116.0056 63.2891 68.5308 175.2497 32 L 4.6521 7.5662 122.0202 55.0914 43.9877 179.1297 33 R 4.2094 7.9535 116.6326 58.7388 30.4869 178.1783 34 K 4.0435 8.0938 116.6747 59.2665 32.5594 177.4699 35 I 3.7127 7.1870 121.8917 61.3292 37.0625 175.8611 36 S 4.4020 8.4678 122.5982 59.6762 63.5245 173.1222 37 G 4.2445 9.0765 113.3275 45.2246 0.0000 173.6811 38 V 3.9763 7.3391 119.7242 62.4288 31.3686 175.4604 39 S 4.4204 9.2720 123.8476 60.7178 63.0445 174.2096 40 F 5.1842 8.0374 120.7170 56.4429 42.6934 173.0269 41 A 4.5927 8.3697 126.2950 50.9143 22.0232 175.1806 42 S 4.6999 8.0219 115.5013 57.4872 66.6011 172.6121 43 Y 5.3275 8.3811 118.8686 55.9013 40.8207 173.5330 44 Y 3.8869 8.7796 116.5588 56.4951 41.6819 173.1766 45 Q 4.5390 8.2074 120.4719 52.5049 29.7574 173.9830 46 P 3.7649 0.0000 0.0000 65.8367 31.0231 176.2094 47 H 4.7103 7.5588 116.2846 54.0620 33.1719 172.3499 48 P 4.8674 0.0000 0.0000 65.2303 31.3369 178.0650 49 L 4.1352 8.1071 116.5500 56.5356 41.8167 176.8698 50 T 4.4635 7.1662 109.1483 59.4462 68.7403 174.1478 51 D 4.6824 8.4838 127.0086 53.8791 39.8480 174.1070 52 K 5.1150 8.1934 122.2224 53.9901 37.2410 174.7401 53 I 4.8756 8.1922 116.1557 59.2217 40.6447 174.0903 54 I 4.8348 8.5230 127.4886 59.8661 39.3649 174.9099 55 V 4.9025 9.2258 120.3825 59.5539 34.3377 174.7961 56 K 4.8011 9.3498 125.0462 54.8976 34.7846 175.5866 57 I 4.3286 7.4641 123.8813 59.5538 41.2880 174.3331 58 L 4.7064 8.6561 128.3617 52.4227 43.3502 174.0817 59 T 4.8567 8.1911 118.7068 60.6915 68.2027 174.1044 60 D 4.4642 9.6482 128.7755 54.9073 40.3749 176.3919 61 G 3.5106 7.2598 107.2840 45.3248 0.0000 175.2463 62 S 4.2398 8.0083 117.1851 60.5836 63.3663 174.0157 63 I 4.4314 7.2301 120.1769 59.0838 39.4408 176.3339 64 A 4.2179 8.2664 125.0918 51.2397 20.0318 177.1476 65 P 4.1110 0.0000 0.0000 66.0604 31.1879 178.5272 66 K 4.0048 8.0880 118.5889 59.2758 32.0315 178.9334 67 D 4.4183 8.1090 117.8182 56.9724 40.7870 178.3816 68 A 3.9934 8.0107 121.7278 54.8983 18.1805 179.5276 69 L 3.8189 7.5799 117.7693 58.4272 42.1766 178.9367 70 L 3.9528 7.9648 118.4143 58.0472 41.6351 179.6722 71 K 3.9743 8.1277 118.0008 59.2952 31.9267 179.2838 72 A 4.1232 7.8154 120.7269 54.8430 18.4184 179.6582 73 I 3.6048 8.0299 118.8000 64.6321 37.3125 178.2528 74 E 3.9429 7.9321 120.1255 59.5026 29.3660 178.7706 75 T 3.8554 7.5153 114.5220 66.8566 68.4787 176.7050 76 V 3.5615 7.6603 119.5241 65.7218 30.7224 178.1351 77 R 3.8666 7.8582 118.5757 59.4102 29.7139 178.7366 78 V 4.2757 7.7751 117.9091 66.0150 31.2885 177.5470 79 M 4.0938 8.1994 116.9733 57.4068 32.2370 177.5041 80 A 4.4118 7.8910 121.0072 54.8290 19.6150 179.5191 81 S 4.0876 9.4134 113.7741 61.8660 62.6668 176.0462 82 H 4.5204 7.8299 120.3179 57.4014 29.9748 176.0779 83 Y 4.3572 7.8209 121.0181 60.7765 38.9338 176.8181 84 I 3.6451 8.0280 120.9355 64.4998 35.6745 177.7844 85 D 4.3301 8.1532 119.6607 57.5636 40.5400 178.5225 86 E 3.8675 7.4840 114.1796 57.3110 30.1268 177.8270 87 I 4.0831 7.1506 119.3179 62.7475 38.2074 177.3734 88 K 3.7969 7.6283 118.0240 59.6642 31.9123 178.1056 89 G 3.8040 7.2797 103.0526 46.2058 0.0000 174.3579 90 L 4.0857 7.4746 121.3093 57.1324 42.0985 177.8358 91 T 3.8840 7.5723 110.9668 64.6871 69.5664 175.2803 *92 K 4.1054 7.7495 128.5548 53.7911 32.4319 177.6838 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.54 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.58 0.00 2 E 8.87 4.56 0.00 1.88 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 2.22 2.50 0.00 3 I 9.14 4.94 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 1.34 0.41 0.91 0.00 0.00 4 K 8.85 4.81 0.00 1.63 1.66 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.64 7.81 5 I 8.41 4.06 1.89 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 1.36 0.55 0.92 0.00 0.00 6 L 8.36 4.61 0.00 1.74 1.79 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 7 K 7.41 4.09 0.00 1.85 1.75 0.00 1.59 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.35 7.81 8 S 9.05 5.06 0.00 3.91 3.76 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 9 E 8.67 4.37 0.00 2.07 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 2.25 2.36 0.00 10 S 8.42 3.97 0.00 4.08 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 N 8.26 5.17 0.00 2.67 3.07 0.00 0.00 6.22 7.48 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 12 Y 8.18 5.10 0.00 3.14 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 13 L 7.72 4.92 0.00 1.73 1.30 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 14 E 9.48 4.81 0.00 2.39 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 2.31 2.36 0.00 15 L 8.67 5.19 0.00 1.79 1.46 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.69 4.99 0.00 2.04 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 2.19 2.24 0.00 17 I 8.69 4.60 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 1.10 0.87 0.90 0.00 0.00 18 E 9.66 4.47 0.00 2.00 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 2.28 2.25 0.00 19 G 7.31 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 7.90 4.80 0.00 1.91 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.17 0.00 21 D 7.94 5.20 0.00 2.90 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 22 H 9.24 4.15 0.00 3.22 3.46 0.00 5.66 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 23 T 7.91 3.81 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 1.17 0.00 0.00 24 L 7.79 4.05 0.00 1.69 1.57 0.87 0.92 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 25 G 7.50 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 0.00 0.00 0.00 26 N 7.63 3.73 0.00 2.43 2.60 0.00 0.00 6.83 6.70 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 27 L 7.49 3.91 0.00 1.56 1.74 0.85 0.88 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 28 I 7.49 3.76 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 1.52 0.32 0.86 0.00 0.00 29 A 7.77 4.10 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.90 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 31 T 7.38 4.51 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 1.19 0.00 0.00 32 L 7.57 4.65 0.00 1.86 1.59 0.85 0.68 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 33 R 7.95 4.21 0.00 1.80 2.00 0.00 3.23 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 34 K 8.09 4.04 0.00 1.73 1.86 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.45 7.81 35 I 7.19 3.71 1.85 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 1.28 1.18 0.90 0.00 0.00 36 S 8.47 4.40 0.00 3.86 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 9.08 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 0.00 0.00 0.00 0.00 38 V 7.34 3.98 2.33 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 0.75 0.00 0.00 0.94 0.00 0.00 39 S 9.27 4.42 0.00 3.92 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 40 F 8.04 5.18 0.00 3.07 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 41 A 8.37 4.59 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.02 4.70 0.00 3.84 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Y 8.38 5.33 0.00 2.99 3.02 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 44 Y 8.78 3.89 0.00 2.80 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 45 Q 8.21 4.54 0.00 1.94 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.88 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 46 P 0.00 3.76 0.00 2.15 2.02 0.00 3.75 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.79 0.00 47 H 7.56 4.71 0.00 3.00 3.09 0.00 5.59 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 4.87 0.00 2.03 2.07 0.00 3.25 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.01 0.00 49 L 8.11 4.14 0.00 1.74 1.77 0.99 0.79 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 50 T 7.17 4.46 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 51 D 8.48 4.68 0.00 2.79 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 52 K 8.19 5.12 0.00 1.62 1.55 0.00 1.73 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.39 7.81 53 I 8.19 4.88 1.98 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 1.42 0.91 1.02 0.00 0.00 54 I 8.52 4.83 2.03 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 1.25 0.65 1.11 0.00 0.00 55 V 9.23 4.90 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 0.89 0.00 0.00 0.96 0.00 0.00 56 K 9.35 4.80 0.00 1.37 1.56 0.00 1.67 0.00 0.00 1.91 0.00 0.00 2.76 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.65 1.45 7.81 57 I 7.46 4.33 1.64 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 1.00 0.76 0.79 0.00 0.00 58 L 8.66 4.71 0.00 1.85 1.86 1.14 0.78 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 59 T 8.19 4.86 4.23 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 60 D 9.65 4.46 0.00 2.76 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 61 G 7.26 3.51 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 62 S 8.01 4.24 0.00 3.88 3.91 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 63 I 7.23 4.43 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.56 0.91 0.00 0.00 64 A 8.27 4.22 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.11 0.00 2.21 2.18 0.00 3.80 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 66 K 8.09 4.00 0.00 1.81 1.91 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.54 1.55 7.81 67 D 8.11 4.42 0.00 2.68 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 68 A 8.01 3.99 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.58 3.82 0.00 1.87 1.64 0.87 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 70 L 7.96 3.95 0.00 1.92 1.71 0.97 0.74 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 71 K 8.13 3.97 0.00 2.14 1.84 0.00 1.54 0.00 0.00 1.86 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.49 7.81 72 A 7.82 4.12 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 73 I 8.03 3.60 1.98 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 1.57 1.34 0.90 0.00 0.00 74 E 7.93 3.94 0.00 2.09 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.49 0.00 75 T 7.52 3.86 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 1.20 0.00 0.00 76 V 7.66 3.56 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 1.03 0.00 0.00 0.95 0.00 0.00 77 R 7.86 3.87 0.00 1.95 1.99 0.00 3.15 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 78 V 7.78 4.28 2.20 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 0.95 0.00 0.00 0.97 0.00 0.00 79 M 8.20 4.09 0.00 2.09 2.26 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.53 0.00 80 A 7.89 4.41 1.44 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 81 S 9.41 4.09 0.00 3.99 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 82 H 7.83 4.52 0.00 3.38 3.36 0.00 5.59 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 7.82 4.36 0.00 3.09 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 84 I 8.03 3.65 2.01 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.06 0.88 0.00 0.00 85 D 8.15 4.33 0.00 2.61 2.59 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 86 E 7.48 3.87 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 2.29 2.59 0.00 87 I 7.15 4.08 1.58 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.83 0.78 0.00 0.00 88 K 7.63 3.80 0.00 1.84 1.86 0.00 1.65 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.39 7.81 89 G 7.28 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 7.47 4.09 0.00 1.78 1.79 0.90 0.90 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 91 T 7.57 3.88 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 1.22 0.00 0.00 *92 K 7.75 4.11 0.00 1.54 1.66 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.