NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 K 4.2915 8.4145 122.1404 53.9019 34.1083 177.0330 15 K 4.4963 8.1525 117.8408 53.8608 32.6522 178.1223 16 I 4.5257 7.9264 123.8787 64.8005 38.7840 181.3020 17 E 4.2897 8.1236 121.7241 61.6421 29.6789 181.3210 18 N 4.8343 8.3074 120.5293 56.5918 37.8360 178.3051 19 I 4.6078 7.5469 119.9121 63.6195 37.0678 183.3310 20 V 4.2548 7.5766 122.4137 66.8008 31.7520 182.8287 21 T 5.1105 7.9701 116.1905 64.3197 69.6299 178.5815 22 K 4.7626 7.8926 125.6653 55.3761 34.6401 181.2621 23 I 4.1254 8.0003 119.8607 66.2168 35.9621 183.3405 24 D 4.8458 8.0867 124.8053 58.4005 39.7778 180.4985 25 K 4.5837 7.9218 124.6183 57.7280 31.6365 181.5242 26 K 4.5349 7.6741 126.6898 59.9366 31.9636 182.4563 27 K 4.5245 7.2561 119.5774 54.1219 30.6516 180.2452 *28 Y 4.0118 8.4883 127.2892 57.7993 37.6989 174.7589 29 I 3.2570 7.8396 118.2819 61.7933 31.4761 174.0838 *30 Y 4.3810 6.9417 120.1841 58.3691 41.1719 179.4591 *34 K 4.4048 7.9620 124.7085 54.9509 34.4793 180.5069 35 K 4.6068 7.8708 120.9744 54.9340 32.2255 181.0014 36 L 4.1741 8.3065 124.1402 58.6119 40.9890 182.2964 37 L 4.6896 7.8500 123.5865 57.2937 41.3572 179.7246 38 N 4.9970 8.0573 118.6454 56.8512 37.3045 182.5803 39 E 4.0462 8.1978 122.2670 62.2632 29.4592 184.6967 40 I 3.9463 7.5646 119.1149 65.0443 35.7358 181.5312 41 A 4.8292 7.5253 124.9310 53.3369 18.8269 178.0208 42 E 4.5527 8.1644 118.3828 58.7048 32.4302 180.1817 43 I 4.6645 7.6447 114.0537 59.5305 37.9117 178.0498 44 E 4.3354 7.9748 117.2786 59.3882 30.3510 184.5103 45 K 4.2031 9.5500 124.4562 56.6877 32.5690 180.3551 46 D 4.9804 7.9931 117.7963 54.2671 40.6481 184.7343 47 K 4.1057 8.0205 126.8293 59.6196 31.7166 183.0797 48 T 4.4014 7.8948 111.0577 62.1398 68.6625 178.0438 49 S 4.3445 7.6643 118.9346 61.6675 62.5243 181.0398 50 L 4.5958 8.0276 119.4683 55.8073 42.7287 182.1053 51 E 4.8548 7.9352 119.7520 58.9630 31.1566 182.9925 52 E 4.3617 8.1978 124.2800 62.3645 30.2577 181.0977 53 V 3.9372 7.8654 122.8470 66.5144 31.3614 180.9192 54 K 4.2988 8.1307 126.5808 60.1836 31.4332 181.3277 55 N 4.8269 7.8052 120.9839 57.7831 37.7317 179.8298 56 I 4.3875 7.8222 122.7634 64.8846 36.1009 181.4970 57 N 4.6412 8.4479 122.7921 58.8689 37.2515 180.8880 58 M 4.4374 7.7901 124.8989 60.1744 31.2606 181.7368 59 S 4.4532 8.0168 120.0954 63.8889 62.7259 179.1150 *60 Y 4.5002 8.3286 122.0317 60.6680 36.9891 180.5462 61 G 4.0866 8.0294 107.4968 48.2208 0.0000 176.4411 62 K 4.1607 8.6093 122.9766 56.5934 31.6387 179.9053 63 S 4.7400 7.7893 113.9440 58.8909 64.7551 181.1068 64 L 4.1862 8.4811 121.9586 58.7225 40.6477 184.3237 65 N 4.6509 8.0461 116.4173 53.4317 38.6311 177.3996 66 K 4.1646 7.9991 119.8120 56.3874 30.2482 181.5195 67 L 4.5390 8.1051 122.7273 54.2550 44.5688 175.0143 *68 F 4.1552 8.2162 119.2711 58.6322 36.9230 179.5016 69 L 4.7083 8.2726 129.1788 52.0698 43.1666 175.1209 70 E 4.3466 8.7866 122.5655 55.0097 30.8757 172.9716 71 K 3.8198 9.1892 117.0540 57.8145 28.7960 176.5276 72 I 3.3038 8.0517 118.6478 62.3934 34.6334 177.7332 *76 K 4.3946 8.1917 120.4064 55.8576 33.9013 183.7326 77 K 4.5215 7.7829 127.5628 56.6002 29.5913 180.2441 78 K 4.5562 7.7675 129.1676 59.0975 32.8348 180.6172 79 S 4.5598 8.1082 119.1353 63.8396 62.1289 181.8480 80 E 4.3035 8.2100 121.9337 62.2014 29.5089 183.9359 81 N 4.8054 7.9757 121.7464 57.1386 37.6522 179.5390 82 M 4.2229 8.0576 123.3934 61.0927 31.5770 184.7104 83 I 4.1608 7.5668 122.3298 64.4643 35.7136 180.9639 84 K 4.4031 7.9220 126.0392 61.5588 31.6172 185.0000 85 S 4.4850 7.7805 122.5700 63.5981 62.2407 178.3881 86 M 4.6834 8.0315 122.9750 58.5851 31.1614 181.8162 87 E 4.3879 8.1204 121.9575 62.6804 29.9571 185.0000 88 K 4.3881 8.1451 126.5116 60.0344 31.5520 181.4129 *89 Y 4.4118 7.3817 120.0971 62.1880 36.8891 182.6017 90 I 4.6278 7.6354 119.7466 65.0696 37.9701 182.8925 91 K 4.1867 8.0791 127.5934 60.8078 31.4709 181.1864 92 D 4.7461 8.6008 124.2495 58.4765 39.4565 181.7370 93 L 4.2854 7.8756 123.9017 60.6723 39.5454 184.0135 94 D 4.8133 8.9100 124.6436 57.8306 39.6463 179.9683 95 E 4.2510 7.9539 117.5583 59.9560 30.1770 183.1216 96 I 4.3535 7.5562 121.0733 65.5545 35.9741 183.4307 97 K 4.5926 7.6224 122.8965 58.1495 31.8707 182.0810 98 E 4.5222 7.6087 120.1516 62.1125 29.6465 183.6493 99 Q 4.7983 7.8445 117.1837 55.4186 30.0978 178.3014 100 S 4.7070 8.1694 113.6989 60.1768 64.6600 176.7094 101 P 4.1533 0.0000 0.0000 63.5709 30.4820 177.8725 102 K 4.3526 8.6074 128.5160 53.8752 32.9590 179.4149 103 A 4.6290 8.1980 133.1499 51.0478 19.3171 173.2953 104 E 3.7601 8.4644 127.5332 56.8310 29.2808 177.6867 105 M 4.4835 8.5691 127.5751 54.3834 31.5482 173.2746 106 N 4.6350 8.1121 122.8070 53.2140 37.8883 177.2589 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 14 K 8.41 4.29 0.00 1.79 1.80 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 15 K 8.15 4.50 0.00 1.81 1.66 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.25 1.07 7.81 16 I 7.93 4.53 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 1.50 0.68 0.91 0.00 0.00 17 E 8.12 4.29 0.00 1.97 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 2.31 1.94 0.00 18 N 8.31 4.83 0.00 2.82 2.76 0.00 0.00 6.40 7.72 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 19 I 7.55 4.61 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 1.50 1.19 0.91 0.00 0.00 20 V 7.58 4.25 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 0.72 0.00 0.00 0.93 0.00 0.00 21 T 7.97 5.11 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 22 K 7.89 4.76 0.00 1.74 1.68 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.27 1.21 7.81 23 I 8.00 4.13 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 1.50 1.10 0.91 0.00 0.00 24 D 8.09 4.85 0.00 2.68 2.69 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 25 K 7.92 4.58 0.00 1.76 1.81 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.07 7.81 26 K 7.67 4.53 0.00 1.97 1.76 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.33 7.81 27 K 7.26 4.52 0.00 1.84 1.67 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.24 7.81 *28 Y 8.49 4.01 0.00 2.33 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 0.00 0.00 0.00 0.00 29 I 7.84 3.26 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 1.27 0.99 0.91 0.00 0.00 *30 Y 6.94 4.38 0.00 2.28 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 0.00 0.00 0.00 *34 K 7.96 4.40 0.00 1.79 1.78 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 35 K 7.87 4.61 0.00 1.76 1.70 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.30 0.99 7.81 36 L 8.31 4.17 0.00 1.66 1.61 0.92 0.85 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 37 L 7.85 4.69 0.00 1.63 1.68 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 38 N 8.06 5.00 0.00 2.72 2.83 0.00 0.00 7.04 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 39 E 8.20 4.05 0.00 1.97 1.99 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 2.31 1.94 0.00 40 I 7.56 3.95 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 1.45 0.54 0.91 0.00 0.00 41 A 7.53 4.83 1.23 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 0.00 0.00 0.00 42 E 8.16 4.55 0.00 1.96 1.80 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 2.14 2.08 0.00 43 I 7.64 4.66 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 1.27 1.22 0.91 0.00 0.00 44 E 7.97 4.34 0.00 1.88 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 2.27 1.86 0.00 45 K 9.55 4.20 0.00 1.78 1.75 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.25 7.81 46 D 7.99 4.98 0.00 2.58 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.02 4.11 0.00 1.68 1.84 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.25 7.81 48 T 7.89 4.40 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 49 S 7.66 4.34 0.00 3.74 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 50 L 8.03 4.60 0.00 1.64 1.58 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 51 E 7.94 4.85 0.00 1.99 1.92 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 2.16 2.17 0.00 52 E 8.20 4.36 0.00 1.97 1.97 0.00 0.00 0.00 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 1.93 0.00 53 V 7.87 3.94 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 0.75 0.00 0.00 0.93 0.00 0.00 54 K 8.13 4.30 0.00 1.76 1.84 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.07 7.81 55 N 7.81 4.83 0.00 2.94 2.77 0.00 0.00 6.91 7.60 0.00 0.00 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 I 7.82 4.39 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 1.38 0.58 0.91 0.00 0.00 57 N 8.45 4.64 0.00 2.72 2.88 0.00 0.00 7.08 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 58 M 7.79 4.44 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.42 0.00 59 S 8.02 4.45 0.00 3.70 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 *60 Y 8.33 4.50 0.00 2.36 2.23 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 0.00 61 G 8.03 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.61 4.16 0.00 1.75 1.73 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.26 7.81 63 S 7.79 4.74 0.00 3.56 3.72 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 64 L 8.48 4.19 0.00 1.62 1.62 0.92 0.82 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 65 N 8.05 4.65 0.00 2.73 2.75 0.00 0.00 6.53 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 66 K 8.00 4.16 0.00 1.77 1.69 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.01 7.81 67 L 8.11 4.54 0.00 1.60 1.50 0.92 0.79 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 *68 F 8.22 4.16 0.00 2.29 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 0.00 0.00 0.00 0.00 69 L 8.27 4.71 0.00 1.62 1.45 0.92 0.86 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 70 E 8.79 4.35 0.00 1.98 1.78 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 2.22 1.87 0.00 71 K 9.19 3.82 0.00 1.92 1.77 0.00 1.91 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.26 0.98 7.81 72 I 8.05 3.30 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 1.27 0.98 0.91 0.00 0.00 *76 K 8.19 4.39 0.00 1.79 1.79 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 77 K 7.78 4.52 0.00 1.75 1.77 0.00 1.74 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.42 1.06 7.81 78 K 7.77 4.56 0.00 1.75 1.83 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.05 7.81 79 S 8.11 4.56 0.00 3.73 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 80 E 8.21 4.30 0.00 1.97 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 2.31 1.94 0.00 81 N 7.98 4.81 0.00 2.73 2.85 0.00 0.00 7.21 7.32 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 82 M 8.06 4.22 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.42 0.00 83 I 7.57 4.16 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 1.38 1.10 0.91 0.00 0.00 84 K 7.92 4.40 0.00 1.70 1.84 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.32 7.81 85 S 7.78 4.49 0.00 3.66 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 86 M 8.03 4.68 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.42 0.00 87 E 8.12 4.39 0.00 1.92 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 2.24 2.19 0.00 88 K 8.15 4.39 0.00 1.73 1.85 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.32 7.81 *89 Y 7.38 4.41 0.00 2.45 2.26 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.64 4.63 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 1.50 0.67 0.91 0.00 0.00 91 K 8.08 4.19 0.00 1.79 1.78 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.34 7.81 92 D 8.60 4.75 0.00 2.70 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 93 L 7.88 4.29 0.00 1.64 1.70 0.92 1.08 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 94 D 8.91 4.81 0.00 2.62 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 95 E 7.95 4.25 0.00 2.08 1.87 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 2.21 2.18 0.00 96 I 7.56 4.35 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 1.38 1.12 0.91 0.00 0.00 97 K 7.62 4.59 0.00 1.89 1.73 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.31 7.81 98 E 7.61 4.52 0.00 2.12 1.90 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 2.26 2.20 0.00 99 Q 7.84 4.80 0.00 2.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.82 0.00 0.00 0.00 0.00 0.00 2.16 1.89 0.00 100 S 8.17 4.71 0.00 3.60 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 0.00 101 P 0.00 4.15 0.00 2.03 1.90 0.00 3.80 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 2.02 2.07 0.00 102 K 8.61 4.35 0.00 1.77 1.62 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.30 0.99 7.81 103 A 8.20 4.63 1.23 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 0.00 0.00 0.00 104 E 8.46 3.76 0.00 2.17 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 2.12 1.86 0.00 105 M 8.57 4.48 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.10 0.00 106 N 8.11 4.63 0.00 2.74 2.61 0.00 0.00 6.77 7.56 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 * Residues marked with a * may have inaccurate shift predictions.