NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 5.0377 8.4104 110.3382 62.3079 70.1425 173.3147 4 A 4.3000 7.5993 124.3644 53.2290 21.6856 176.1351 5 Y 4.4140 8.7977 112.2492 58.4560 39.2969 174.4916 6 D 4.5065 7.8587 121.3742 57.1556 41.3723 178.3901 7 V 3.6080 8.0533 118.9146 66.3037 31.8993 176.2487 8 I 3.9021 7.7017 119.5569 61.5745 37.1394 174.8203 9 L 4.6328 8.6796 126.2933 55.9413 43.2421 176.2685 10 A 4.7107 7.7797 117.6562 50.6509 23.0005 172.6883 11 P 5.2969 0.0000 0.0000 61.4186 32.3653 176.4092 12 V 3.4263 7.7802 124.3497 61.7633 31.7659 176.0114 13 L 4.1402 8.5184 124.0705 52.8774 43.1575 176.1418 14 S 4.4047 6.8183 117.3053 55.6909 67.0674 174.4539 15 E 4.0874 8.7727 122.1044 59.8458 28.8918 179.7897 16 K 3.8464 7.7563 117.8822 59.2166 32.7367 178.3104 17 A 3.7421 7.8638 121.5265 55.2591 18.1322 179.2956 18 Y 3.5646 7.9758 115.3027 60.7513 37.7368 178.0780 19 A 4.1227 7.7199 120.3496 54.0279 18.7123 179.3676 20 G 3.8116 7.2180 105.8337 45.7455 0.0000 173.2444 21 F 4.4010 7.2911 119.5455 58.1677 37.9579 175.0365 22 A 4.7114 7.6001 135.0000 53.0829 21.1629 176.8572 23 E 4.4572 7.1436 114.0211 55.0284 31.6414 177.2892 24 G 4.3227 8.3503 106.8284 46.6594 0.0000 174.7301 25 K 5.2778 7.5347 119.0315 54.1135 32.0358 175.3065 26 Y 4.5467 8.0461 120.6738 56.8676 39.8474 174.1852 27 T 4.7101 7.9201 117.4831 60.1350 71.1190 172.3342 28 F 4.8760 8.7173 122.0025 54.9794 42.3642 173.4115 29 W 4.8012 8.8158 120.1605 57.4329 29.6990 176.2319 30 V 4.9446 8.8865 126.0176 61.1803 34.1975 173.8313 31 H 4.6469 8.4457 121.8304 54.7300 30.1225 174.3205 32 P 4.1189 0.0000 0.0000 66.0872 30.8499 177.0680 33 K 4.2801 7.6463 114.4947 56.1874 32.0551 176.6642 34 A 4.5573 7.7954 122.0643 51.5388 19.3100 177.8275 35 T 4.5679 8.0970 117.0000 62.1127 70.2840 176.1542 36 K 4.2908 8.3868 122.0915 58.7971 32.6845 179.3017 37 T 4.0002 7.6820 117.6866 66.7335 68.3767 176.0476 38 E 3.9921 8.2236 119.9231 60.0492 29.3182 178.9800 39 I 3.7178 7.7978 119.0892 65.3327 37.1310 177.7325 40 K 3.8579 8.1068 117.4113 60.1450 31.9579 177.8279 41 N 4.2030 8.3573 115.5933 56.7464 38.7367 176.7979 42 A 3.9528 8.1184 120.4904 55.4568 18.8313 179.2105 43 V 3.9311 8.8823 117.2176 66.3393 31.6244 178.2648 44 E 4.2261 8.6021 117.6714 59.5710 29.2924 178.9512 45 T 4.3751 8.3570 107.5542 61.6139 68.8406 174.8233 46 A 4.7759 7.8782 121.5234 52.4328 21.9464 177.3823 47 F 4.5895 7.9886 111.1981 55.9485 41.1658 175.2851 48 K 3.9361 8.6354 118.6399 56.7269 29.4299 174.2415 49 V 4.5991 7.1553 110.0612 59.8446 36.3343 173.9603 50 K 4.6148 8.4392 123.3315 55.4978 34.0393 175.1209 51 V 4.8209 8.0341 125.3322 61.6657 32.3692 175.4125 52 V 4.2134 9.2234 128.4244 63.7552 32.9379 175.5703 53 K 4.7113 7.7027 119.9658 55.0993 35.7728 174.7202 54 V 4.9442 8.2645 124.6711 61.3812 34.7688 173.8946 55 N 5.2585 9.3447 125.0105 51.6111 41.8455 173.5870 56 T 5.2995 8.0772 112.2508 59.9893 72.4085 173.0601 57 L 4.4575 8.1104 118.1587 55.5614 43.8425 173.5579 58 H 5.0042 9.1806 119.6298 55.6940 30.2214 175.4512 59 V 4.2449 9.1157 122.0957 60.5924 32.7824 173.4330 60 R 4.0578 8.7807 127.5280 56.3258 30.3802 176.0232 61 G 3.9135 8.6295 113.7476 45.8465 0.0000 172.3016 62 K 4.4365 8.7190 123.2289 55.9786 33.7256 175.9962 63 K 4.7065 8.5680 123.2262 55.7765 34.0428 175.7520 64 K 4.6735 7.6535 125.1688 55.5722 35.6203 174.8816 65 R 4.7408 8.0815 116.7408 56.2372 33.0208 174.0821 66 L 4.6881 8.5116 128.6286 54.1656 44.8155 176.0247 67 G 3.8396 8.5599 114.5642 47.1122 0.0000 174.7283 68 R 3.9310 8.2625 117.8051 57.0948 30.1458 176.6678 69 Y 4.2970 7.5498 118.0413 57.0634 36.8787 174.0004 70 L 4.4796 8.2931 127.0880 54.4671 42.0553 176.4116 71 G 4.1768 8.7197 111.4108 46.1690 0.0000 171.2787 72 K 4.9138 8.3675 117.7364 55.2383 36.1643 176.4227 73 R 4.4458 8.9047 123.2628 54.7524 30.8997 174.7155 74 P 4.4747 0.0000 0.0000 63.1481 32.7235 174.9429 75 D 4.9479 8.4176 120.0790 53.8449 42.2828 176.0767 76 R 4.7201 8.4555 119.3405 54.4264 35.4100 173.9235 77 K 4.8585 8.6682 121.9172 54.7914 34.5454 174.6710 78 K 4.8235 9.1855 129.4881 55.3723 34.4170 175.2384 79 A 5.1992 8.6049 127.5776 50.5996 22.8012 174.8038 80 I 4.6591 8.6359 116.7982 59.2776 40.2780 175.2943 81 V 4.8773 8.9325 118.4539 59.5975 35.3075 174.1181 82 Q 5.7569 9.1018 124.6012 53.9404 31.1891 174.4482 83 V 5.4417 8.4876 119.1778 58.9119 33.7746 175.1129 84 A 4.0426 8.4933 126.2308 50.2278 20.0353 174.9825 85 P 4.3619 0.0000 0.0000 64.8633 31.5798 174.5656 86 G 4.1951 9.1463 109.9633 45.9692 0.0000 173.9229 87 Q 4.1399 7.5085 116.9647 55.9432 29.2992 176.0073 88 K 4.1532 7.7898 115.1070 56.0104 34.8802 174.2843 89 I 3.9668 7.3715 127.8484 60.3957 37.5065 175.7950 90 E 4.0130 9.0436 125.6490 59.5643 29.9756 178.8418 91 A 4.0027 8.3758 121.2568 55.7735 18.2688 178.9759 92 L 4.3820 7.9034 110.9650 55.6817 41.6942 178.0851 93 E 3.8729 8.3520 120.4569 58.6069 29.7125 178.6527 94 G 3.4645 7.5890 109.4454 48.6978 0.0000 174.2600 *95 L 4.1219 7.6843 124.3977 53.7298 41.6291 178.6698 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 T 8.41 5.04 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 1.21 0.00 0.00 4 A 7.60 4.30 1.13 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 0.00 0.00 5 Y 8.80 4.41 0.00 2.96 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 6 D 7.86 4.51 0.00 2.74 2.68 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 7 V 8.05 3.61 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 0.99 0.00 0.00 0.95 0.00 0.00 8 I 7.70 3.90 1.83 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 1.09 0.01 0.54 0.00 0.00 9 L 8.68 4.63 0.00 1.87 1.77 1.06 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.78 4.71 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 11 P 0.00 5.30 0.00 2.35 2.44 0.00 3.99 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 2.15 2.17 0.00 12 V 7.78 3.43 0.94 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 0.32 0.00 0.00 0.42 0.00 0.00 13 L 8.52 4.14 0.00 1.66 1.70 1.10 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 14 S 6.82 4.40 0.00 3.86 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 15 E 8.77 4.09 0.00 2.06 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 2.44 2.53 0.00 16 K 7.76 3.85 0.00 1.65 1.68 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.26 1.39 7.81 17 A 7.86 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 7.98 3.56 0.00 3.03 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 19 A 7.72 4.12 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 20 G 7.22 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 0.00 0.00 0.00 21 F 7.29 4.40 0.00 3.04 2.78 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 22 A 7.60 4.71 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 23 E 7.14 4.46 0.00 2.04 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 2.33 2.34 0.00 24 G 8.35 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 0.00 0.00 0.00 0.00 25 K 7.53 5.28 0.00 1.81 1.61 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.74 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.43 1.18 7.81 26 Y 8.05 4.55 0.00 2.70 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 27 T 7.92 4.71 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 0.83 0.00 0.00 28 F 8.72 4.88 0.00 3.28 3.14 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 0.00 0.00 0.00 0.00 29 W 8.82 4.80 0.00 3.53 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 30 V 8.89 4.94 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 0.87 0.00 0.00 1.11 0.00 0.00 31 H 8.45 4.65 0.00 3.32 3.20 0.00 5.86 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.12 0.00 2.11 2.10 0.00 3.59 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.91 0.00 33 K 7.65 4.28 0.00 1.85 1.93 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.41 7.81 34 A 7.80 4.56 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 35 T 8.10 4.57 4.34 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 1.24 0.00 0.00 36 K 8.39 4.29 0.00 2.00 2.08 0.00 1.51 0.00 0.00 1.99 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.54 7.81 37 T 7.68 4.00 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 1.22 0.00 0.00 38 E 8.22 3.99 0.00 2.17 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 2.42 2.45 0.00 39 I 7.80 3.72 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 1.59 1.17 1.01 0.00 0.00 40 K 8.11 3.86 0.00 1.81 1.87 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.55 7.81 41 N 8.36 4.20 0.00 2.89 2.86 0.00 0.00 7.05 7.43 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 42 A 8.12 3.95 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 43 V 8.88 3.93 2.29 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 1.01 0.00 0.00 1.12 0.00 0.00 44 E 8.60 4.23 0.00 2.39 2.29 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 2.56 2.33 0.00 45 T 8.36 4.38 4.17 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 1.22 0.00 0.00 46 A 7.88 4.78 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 47 F 7.99 4.59 0.00 3.13 3.04 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 48 K 8.64 3.94 0.00 1.80 1.83 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.45 7.81 49 V 7.16 4.60 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 0.67 0.00 0.00 0.93 0.00 0.00 50 K 8.44 4.61 0.00 1.84 1.66 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.43 7.81 51 V 8.03 4.82 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 0.90 0.00 0.00 0.94 0.00 0.00 52 V 9.22 4.21 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 0.78 0.00 0.00 0.95 0.00 0.00 53 K 7.70 4.71 0.00 1.87 1.56 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.40 1.49 7.81 54 V 8.26 4.94 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 0.90 0.00 0.00 0.95 0.00 0.00 55 N 9.34 5.26 0.00 2.59 2.63 0.00 0.00 6.18 7.76 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 56 T 8.08 5.30 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 57 L 8.11 4.46 0.00 1.71 1.76 0.91 1.05 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 58 H 9.18 5.00 0.00 3.05 3.30 0.00 5.66 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 59 V 9.12 4.24 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 1.04 0.00 0.00 1.30 0.00 0.00 60 R 8.78 4.06 0.00 1.87 1.91 0.00 3.37 0.00 0.00 3.24 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 61 G 8.63 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 0.00 0.00 0.00 62 K 8.72 4.44 0.00 1.72 1.74 0.00 1.66 0.00 0.00 1.88 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.53 1.43 7.81 63 K 8.57 4.71 0.00 1.97 1.82 0.00 1.55 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.45 7.81 64 K 7.65 4.67 0.00 1.72 1.79 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.78 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.50 7.81 65 R 8.08 4.74 0.00 1.78 1.76 0.00 3.18 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 66 L 8.51 4.69 0.00 1.68 1.57 0.94 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.56 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 68 R 8.26 3.93 0.00 1.65 1.86 0.00 2.33 0.00 0.00 2.47 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.81 0.00 69 Y 7.55 4.30 0.00 3.27 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 70 L 8.29 4.48 0.00 1.61 1.57 0.92 1.03 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 71 G 8.72 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 72 K 8.37 4.91 0.00 1.60 1.66 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.71 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.48 7.81 73 R 8.90 4.45 0.00 1.74 1.79 0.00 3.14 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 74 P 0.00 4.47 0.00 2.04 2.13 0.00 3.61 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 1.95 1.92 0.00 75 D 8.42 4.95 0.00 2.54 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 76 R 8.46 4.72 0.00 1.66 1.72 0.00 2.94 0.00 0.00 2.87 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.40 0.00 77 K 8.67 4.86 0.00 1.75 1.71 0.00 1.84 0.00 0.00 1.78 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.45 7.81 78 K 9.19 4.82 0.00 1.83 1.75 0.00 1.52 0.00 0.00 1.37 0.00 0.00 2.24 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.11 0.69 7.81 79 A 8.60 5.20 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 80 I 8.64 4.66 1.72 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.91 0.76 0.00 0.00 81 V 8.93 4.88 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 0.86 0.00 0.00 0.92 0.00 0.00 82 Q 9.10 5.76 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.26 2.20 0.00 83 V 8.49 5.44 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 0.86 0.00 0.00 1.10 0.00 0.00 84 A 8.49 4.04 1.25 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 0.00 0.00 85 P 0.00 4.36 0.00 2.20 2.12 0.00 3.74 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 2.01 2.00 0.00 86 G 9.15 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 87 Q 7.51 4.14 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.63 0.00 0.00 0.00 0.00 0.00 2.52 2.46 0.00 88 K 7.79 4.15 0.00 1.73 1.65 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.20 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.24 1.46 7.81 89 I 7.37 3.97 0.87 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 -0.03 0.93 0.00 0.00 90 E 9.04 4.01 0.00 2.02 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 2.40 2.26 0.00 91 A 8.38 4.00 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 92 L 7.90 4.38 0.00 1.74 1.75 1.20 1.26 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 93 E 8.35 3.87 0.00 2.07 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 2.56 2.37 0.00 94 G 7.59 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 0.00 0.00 0.00 *95 L 7.68 4.12 0.00 1.42 1.50 0.92 0.72 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 * Residues marked with a * may have inaccurate shift predictions.