NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7533 8.2833 118.1261 52.7572 40.8056 175.8041 3 D 4.1862 8.1511 121.0145 56.9488 40.6667 176.9688 4 K 3.9398 8.8509 119.7882 59.3838 32.4525 178.9374 5 K 3.9377 7.9901 118.0062 59.7432 32.0235 179.2652 6 I 3.7348 7.7314 119.9266 64.3206 36.9211 178.1704 7 E 3.9306 8.5196 120.5189 59.1415 29.4040 178.7334 8 L 4.0119 8.1919 120.6964 58.1998 42.2443 178.9338 9 L 4.0869 8.3537 119.4130 57.9749 41.6516 179.5031 10 T 3.9164 8.2572 116.0207 67.2354 68.2370 176.8275 11 T 4.0290 7.6289 115.7496 66.4133 68.7328 176.2332 12 Y 4.1184 8.5059 121.9654 60.8682 38.9678 178.1141 13 L 4.4077 8.8462 120.4862 57.6676 41.5243 179.0095 14 S 4.5038 7.8491 111.6151 59.8033 63.3259 175.3765 15 L 4.1523 8.0221 122.8975 55.2519 41.6169 175.4479 16 Y 5.2490 7.2935 115.9345 56.2354 40.6935 174.9527 17 I 4.4433 8.4925 121.0389 58.6682 41.0814 174.1629 18 D 4.7264 8.6928 127.3479 55.5561 41.1119 177.1466 19 H 4.3994 9.2005 120.6932 58.3186 28.8315 177.2336 20 H 3.9239 9.1962 122.0835 59.1897 29.7681 177.2233 21 T 3.8066 7.9095 117.6974 66.4250 68.0091 176.6264 22 V 3.3879 7.0076 118.1695 66.2384 31.6732 178.0037 23 L 4.0681 7.2140 116.6136 57.2622 41.4344 179.1785 24 A 4.0325 7.7851 120.7119 56.8576 18.8609 178.9085 25 D 4.5677 8.4790 115.6660 53.8388 43.3165 176.9223 *32 K 4.1081 8.3306 120.5344 56.7815 35.1126 174.4755 33 Y 5.2298 8.0436 117.6617 57.0564 40.6438 175.7246 34 V 4.1732 8.6737 125.7094 60.5906 32.4446 174.8012 35 V 4.0118 8.1855 127.1493 62.9247 33.2155 174.5623 36 L 4.9333 9.1865 125.6311 53.0278 45.3933 175.4658 37 D 4.9801 8.5655 124.4566 54.1969 40.7463 176.2187 38 V 4.1405 8.5432 120.5673 62.6184 33.0741 177.2090 39 R 4.3032 7.5429 115.4156 56.4610 29.5769 175.6732 40 N 4.5737 8.3300 115.3702 54.1196 38.9677 174.9901 *49 Q 4.3826 7.7904 117.3894 56.0536 30.2664 174.3423 50 I 4.4641 7.8559 117.9202 59.7246 40.1788 175.1144 51 K 4.0638 8.6384 125.3803 58.2649 32.2861 177.4075 52 G 3.9033 8.9660 111.3573 44.8749 0.0000 173.1958 53 A 4.1835 7.4926 122.2616 51.7308 18.7536 177.3810 54 I 4.1446 8.3129 124.6206 60.1357 37.9043 175.8236 55 A 4.0446 8.6313 129.1596 51.6923 19.2180 174.7896 *57 P 4.3219 0.0000 0.0000 62.0077 32.4408 178.0937 58 A 3.9441 8.5575 125.0526 55.1593 18.3937 179.6444 59 K 4.3012 7.9981 112.3567 58.3590 33.0364 176.9552 60 D 4.8376 8.2007 119.0046 54.3095 43.3749 177.6686 61 L 3.7982 7.6034 120.2254 58.1063 41.9509 178.9586 62 A 4.0940 7.9090 118.7420 54.4768 18.5501 178.0252 63 T 4.3176 8.0632 112.1064 64.5907 69.6244 175.7432 64 R 4.6085 7.3688 120.7571 55.9246 30.5915 177.1148 65 I 4.0218 7.9300 116.5376 61.7786 38.2798 175.9807 66 G 3.9881 7.7800 107.3517 47.5365 0.0000 175.2313 67 E 4.1226 7.6548 117.8302 58.8065 29.7087 177.7805 68 L 3.9817 7.5914 118.4368 54.5461 42.2116 176.1472 69 D 4.7766 9.7186 123.6314 52.6229 40.6234 175.2804 70 P 4.6310 0.0000 0.0000 64.6329 31.6100 176.9733 71 A 4.5332 8.2003 119.9289 52.5731 20.0896 177.4343 72 K 4.3329 8.1483 115.4037 56.1207 33.5121 176.7738 73 T 4.7195 8.2015 119.8787 62.8489 70.3939 173.4015 74 Y 5.0948 8.7323 123.4356 56.3499 40.9012 174.8353 75 V 4.8549 8.2952 122.9315 61.2984 34.3875 174.5951 76 V 4.5428 8.8061 122.5371 60.2546 33.1234 175.8674 77 Y 4.8863 8.7116 127.5910 58.7961 38.4617 176.5390 *84 T 4.3964 8.1421 109.6792 61.1652 71.1059 175.6613 85 L 3.9799 7.9694 123.0754 57.9462 42.3249 178.9517 86 G 3.7143 8.1002 105.1129 47.7315 0.0000 175.5903 87 K 3.9475 7.8164 120.0829 59.5275 32.3029 179.1623 88 T 3.8294 8.2091 116.1773 66.6404 68.3623 176.3237 89 A 3.9300 7.9607 122.4117 55.0136 18.4031 179.2440 90 L 3.8066 7.6152 118.3141 58.3699 42.1399 178.8499 91 L 3.9068 8.1779 120.4925 58.1044 41.9087 179.1302 92 V 3.5505 7.7641 117.9606 65.9557 31.6642 177.7468 93 L 4.0206 7.8886 118.5926 58.1108 41.5713 179.7009 94 L 4.3734 8.1872 120.3122 57.4952 41.3138 179.8334 95 S 4.1424 8.0538 113.9510 61.3586 62.8766 175.9617 96 A 4.2073 7.8370 121.0965 52.8654 18.3731 178.0159 97 G 3.8832 7.9614 105.7147 44.8563 0.0000 174.5720 98 F 4.3582 7.7772 118.2127 57.6856 40.6826 174.0503 99 E 4.6141 9.0643 122.4904 55.1201 30.6944 174.6314 100 A 5.4552 8.2417 127.3823 50.7253 22.9963 174.1137 101 Y 4.7318 8.8640 115.2816 56.4914 43.1633 174.0546 102 E 4.7036 9.2396 124.1585 54.8348 31.4164 174.9773 103 L 4.4007 9.1525 129.7523 55.3261 42.6954 176.7029 104 A 4.3470 8.4649 128.5719 52.4215 18.8134 176.5298 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 2 N 8.28 4.75 0.00 2.81 2.91 0.00 0.00 7.01 7.19 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 3 D 8.15 4.19 0.00 2.80 2.72 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 4 K 8.85 3.94 0.00 1.80 1.87 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.54 7.81 5 K 7.99 3.94 0.00 1.97 1.85 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.53 7.81 6 I 7.73 3.73 1.88 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 1.42 0.79 0.93 0.00 0.00 7 E 8.52 3.93 0.00 2.25 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 0.00 2.32 2.39 0.00 8 L 8.19 4.01 0.00 1.89 1.83 1.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 9 L 8.35 4.09 0.00 1.74 1.75 0.96 0.55 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 10 T 8.26 3.92 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 1.26 0.00 0.00 11 T 7.63 4.03 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 1.24 0.00 0.00 12 Y 8.51 4.12 0.00 3.27 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 13 L 8.85 4.41 0.00 1.93 1.84 1.02 0.96 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 14 S 7.85 4.50 0.00 4.16 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 15 L 8.02 4.15 0.00 1.18 1.21 0.50 0.68 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 16 Y 7.29 5.25 0.00 2.88 2.89 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 17 I 8.49 4.44 1.68 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 1.12 0.89 0.00 0.00 18 D 8.69 4.73 0.00 2.78 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 19 H 9.20 4.40 0.00 3.39 3.72 0.00 5.50 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 H 9.20 3.92 0.00 3.04 3.69 0.00 5.78 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.91 3.81 4.11 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 22 V 7.01 3.39 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 0.73 0.00 0.00 0.80 0.00 0.00 23 L 7.21 4.07 0.00 1.42 1.65 0.87 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.79 4.03 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 25 D 8.48 4.57 0.00 2.83 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 *32 K 8.33 4.11 0.00 1.62 1.81 0.00 1.25 0.00 0.00 1.42 0.00 0.00 2.55 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.75 0.24 7.81 33 Y 8.04 5.23 0.00 2.96 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 34 V 8.67 4.17 1.46 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 1.02 0.00 0.00 0.66 0.00 0.00 35 V 8.19 4.01 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 0.88 0.00 0.00 0.88 0.00 0.00 36 L 9.19 4.93 0.00 1.59 1.54 0.76 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.57 4.98 0.00 2.88 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 38 V 8.54 4.14 2.07 0.00 0.00 0.00 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 0.97 0.00 0.00 39 R 7.54 4.30 0.00 1.90 1.84 0.00 2.93 0.00 0.00 2.93 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.57 0.00 40 N 8.33 4.57 0.00 2.72 2.86 0.00 0.00 6.95 7.69 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 *49 Q 7.79 4.38 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.57 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 50 I 7.86 4.46 1.60 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.37 0.77 0.00 0.00 51 K 8.64 4.06 0.00 1.72 1.75 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.45 7.81 52 G 8.97 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 0.00 0.00 0.00 53 A 7.49 4.18 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 54 I 8.31 4.14 1.92 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 1.19 1.14 0.93 0.00 0.00 55 A 8.63 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 *57 P 0.00 4.32 0.00 2.42 2.23 0.00 3.69 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.09 0.00 58 A 8.56 3.94 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 59 K 8.00 4.30 0.00 1.87 1.93 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.45 7.81 60 D 8.20 4.84 0.00 2.76 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.60 3.80 0.00 1.70 1.77 0.74 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 62 A 7.91 4.09 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 63 T 8.06 4.32 4.38 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 1.20 0.00 0.00 64 R 7.37 4.61 0.00 1.76 2.10 0.00 3.10 0.00 0.00 3.06 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 65 I 7.93 4.02 1.99 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 1.49 0.93 0.96 0.00 0.00 66 G 7.78 3.99 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 0.00 0.00 0.00 67 E 7.65 4.12 0.00 2.01 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 2.35 2.27 0.00 68 L 7.59 3.98 0.00 0.88 0.62 -0.14 0.39 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 69 D 9.72 4.78 0.00 2.81 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 70 P 0.00 4.63 0.00 2.11 2.00 0.00 3.86 0.00 0.00 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.18 0.00 71 A 8.20 4.53 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 72 K 8.15 4.33 0.00 1.37 1.37 0.00 1.59 0.00 0.00 1.61 0.00 0.00 3.05 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.72 1.48 7.81 73 T 8.20 4.72 4.63 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 1.73 0.00 0.00 74 Y 8.73 5.09 0.00 2.95 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 75 V 8.30 4.85 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 0.81 0.00 0.00 76 V 8.81 4.54 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 1.05 0.00 0.00 77 Y 8.71 4.89 0.00 2.94 2.92 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 *84 T 8.14 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 1.22 0.00 0.00 85 L 7.97 3.98 0.00 1.76 1.67 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 86 G 8.10 3.71 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 0.00 0.00 0.00 87 K 7.82 3.95 0.00 1.91 1.81 0.00 1.72 0.00 0.00 1.82 0.00 0.00 3.06 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.61 7.81 88 T 8.21 3.83 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 1.19 0.00 0.00 89 A 7.96 3.93 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 90 L 7.62 3.81 0.00 1.80 1.79 0.82 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.18 3.91 0.00 1.72 1.83 0.89 0.74 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 92 V 7.76 3.55 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 0.96 0.00 0.00 0.98 0.00 0.00 93 L 7.89 4.02 0.00 1.90 1.73 0.84 0.03 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 94 L 8.19 4.37 0.00 1.61 1.67 0.80 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 95 S 8.05 4.14 0.00 4.05 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 96 A 7.84 4.21 1.48 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 0.00 0.00 97 G 7.96 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 0.00 0.00 0.00 98 F 7.78 4.36 0.00 3.16 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 99 E 9.06 4.61 0.00 2.12 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 0.00 2.38 2.32 0.00 100 A 8.24 5.46 1.19 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 0.00 0.00 0.00 0.00 0.00 101 Y 8.86 4.73 0.00 2.84 2.77 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 0.00 102 E 9.24 4.70 0.00 1.77 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 2.43 2.31 0.00 103 L 9.15 4.40 0.00 1.67 1.86 0.90 0.89 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 0.00 104 A 8.46 4.35 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 * Residues marked with a * may have inaccurate shift predictions.