NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 D 4.7090 8.2114 120.3264 52.7370 41.4708 176.5821 9 G 3.7045 8.1116 107.6114 46.8585 0.0000 174.9115 10 K 4.1262 8.8115 127.2938 59.7011 32.2162 182.9755 11 Q 4.1407 8.3253 118.7757 59.3106 28.5056 178.0542 12 Y 3.6277 7.7569 122.5047 60.8573 38.6593 177.7909 13 E 3.6066 7.9884 118.7126 61.5253 29.9304 181.3449 14 S 4.4592 7.8527 114.3630 59.7428 63.0228 175.1708 15 V 4.0746 7.4568 118.0376 64.2510 32.9010 177.2394 16 L 3.7999 7.4256 119.1854 58.4423 41.9653 178.5822 17 M 3.6486 7.8450 118.6686 58.2221 32.0480 178.1729 18 V 3.4481 7.1745 118.3129 66.1033 31.6146 178.2534 19 S 3.9411 7.7720 114.4080 61.3187 62.6731 176.5756 20 I 3.6410 7.5534 122.0181 64.5946 36.9143 178.0278 21 D 4.3072 8.1496 119.6770 57.2697 40.3698 178.6516 22 Q 3.8809 7.5871 118.7393 59.0445 29.4292 177.9856 23 L 4.0899 7.7832 119.8733 57.9835 41.7938 179.6454 24 L 4.0711 8.0510 118.6262 57.7865 41.2273 179.3406 25 D 4.4762 7.8676 118.5979 56.7314 40.8679 177.9020 26 S 4.5853 7.8473 111.8717 59.2890 63.1836 174.3050 27 M 4.8495 7.7119 121.9155 55.1303 32.8682 177.2764 28 K 3.8822 8.3185 121.4666 59.2440 33.4603 178.5183 29 E 4.0607 8.2699 118.0535 59.1107 29.9467 183.1916 30 I 4.1705 6.9166 116.0634 58.8574 36.3048 176.7347 31 G 4.2409 8.7002 111.3304 48.7546 0.0000 178.8038 32 S 4.7036 7.7556 117.8658 56.5919 61.5433 177.0275 33 N 5.0883 8.9419 117.4980 53.8534 43.1977 172.6270 34 C 4.7171 7.9669 112.8590 53.0170 41.9894 172.9356 35 L 3.9835 8.3761 121.6142 56.2544 39.2840 177.6325 36 N 4.3527 8.8410 122.6199 55.5743 38.7383 174.2811 37 N 4.0000 7.3151 116.1777 52.2084 36.1694 173.4924 38 E 3.9380 8.3493 123.8482 55.6735 30.8860 176.9277 39 F 4.7568 9.5540 123.1351 56.7874 40.4411 176.5605 40 N 4.4667 9.0053 119.7235 56.3354 38.1256 177.2498 41 F 4.1416 8.5871 121.9150 61.6572 39.1787 176.9422 42 F 4.6079 7.9725 114.9487 59.5864 38.9084 177.7145 43 K 4.3061 8.1818 120.1426 59.8761 32.1538 179.4844 44 R 4.2644 8.2794 120.3287 59.1274 29.5386 178.2916 45 H 4.9980 7.9636 116.2252 53.9907 30.5711 173.2629 46 I 4.2927 8.1204 124.7203 59.5507 40.4120 176.9134 47 C 4.3977 7.6568 124.3257 55.4163 42.0411 173.2132 48 D 4.5235 7.6823 120.6975 53.6336 41.7916 176.4571 49 A 3.5932 8.4550 123.3483 53.4534 19.1632 177.6253 50 N 4.1286 9.0106 123.5126 53.6250 37.1782 173.8032 51 K 4.5966 8.1695 118.3730 53.3480 36.5704 178.4111 52 E 4.1825 7.8800 122.6030 60.1727 29.2536 179.2868 53 G 3.6054 8.1212 107.9396 48.7763 0.0000 175.9743 54 M 4.1223 8.0711 122.5664 59.3256 31.2992 180.1214 55 F 4.3326 7.7927 120.5182 61.3382 39.6929 177.3756 56 L 3.7963 7.9221 118.6894 57.5409 41.3086 179.0247 57 F 4.0483 8.1464 120.5630 61.5683 39.3414 177.3410 58 R 3.6788 8.0392 116.6997 59.2144 29.9253 178.9063 59 A 3.8158 8.0927 120.5378 55.0954 18.0290 179.5818 60 A 3.8702 8.0999 118.6300 55.1231 18.1898 179.5956 61 R 3.7919 7.5654 117.3310 59.3388 30.2760 178.6126 62 K 4.0595 8.3498 119.8607 59.3227 32.0207 178.4477 63 L 3.9906 7.6697 119.3773 58.2159 41.5657 179.6093 64 R 3.9605 7.6633 116.4998 59.4713 29.9320 178.5330 65 Q 4.1137 8.1086 115.9078 57.4198 28.4157 177.4659 66 F 4.6257 8.1546 117.8514 56.9146 39.6619 175.4146 67 L 4.3656 8.1130 122.8220 54.0421 42.0372 177.1202 68 K 4.3779 8.4069 125.8021 55.9327 33.3701 177.5916 69 M 4.0936 8.7988 120.7346 58.8881 31.6747 178.9004 70 N 4.8285 7.7933 115.5343 51.9048 36.2322 178.9192 71 S 4.4810 7.7405 122.4215 59.5771 61.6664 177.7336 72 T 4.4833 7.8196 111.0014 60.0830 71.0676 175.5162 73 G 4.5214 8.5403 120.5947 43.6013 0.0000 171.8583 74 D 4.3408 8.3854 124.4646 57.5149 40.8708 179.1352 75 F 4.0464 8.4451 120.1533 61.9207 39.2468 176.7837 76 D 4.4273 8.2833 117.6190 57.2463 40.6654 178.7701 77 L 3.9485 8.1896 119.8670 58.0844 41.5494 179.2077 78 H 4.2236 8.3462 116.4226 58.6896 28.6859 177.8413 79 L 3.8234 7.7047 120.7532 57.7257 41.3939 179.5250 80 L 3.9677 8.0655 119.0086 57.7535 41.6010 179.7253 81 K 3.9024 8.3888 118.7355 59.4068 31.9950 179.3876 82 V 3.6004 7.9052 118.7488 66.0648 31.3512 178.1550 83 S 4.2284 7.9298 113.3622 61.3797 63.3422 176.2089 84 E 4.0488 8.5060 122.6699 58.6553 28.8551 179.7848 85 G 3.5264 7.9927 105.2194 48.1644 0.0000 175.4992 86 T 4.4345 8.2967 119.4853 66.6891 68.4333 176.5124 87 T 3.9612 8.2592 117.5664 67.0633 68.3855 176.6293 88 I 3.7355 7.5982 119.9209 64.1061 37.2011 177.6257 89 L 4.4514 7.6747 117.4043 56.2192 41.8497 176.9117 90 L 4.7019 8.3344 119.6604 56.1933 43.4851 176.8920 91 N 5.0656 7.6808 116.3785 53.8117 45.3272 178.3110 *122 Q 4.4205 7.4359 115.2202 55.4170 30.0160 179.0881 123 K 4.3060 8.7126 125.5548 56.1596 33.2440 175.0766 124 K 4.5046 8.0997 121.9503 55.0204 33.5652 176.2595 125 L 4.6340 7.9257 121.4295 53.0390 44.5754 176.4427 126 N 4.8965 8.2630 115.5695 52.2366 40.9031 174.7646 127 D 4.5303 8.1000 117.9555 54.3231 42.0883 176.3862 128 L 4.2647 8.7203 127.8309 57.3424 41.8383 180.0130 129 C 4.4491 8.5006 116.8775 59.9892 39.1089 175.5545 130 F 3.5950 8.2245 121.0472 60.7928 38.9193 177.0119 131 L 3.2641 7.7121 120.1372 57.7486 41.8937 178.6121 132 K 3.7634 8.3581 119.9430 59.8008 32.1101 178.6549 133 R 3.9885 7.9560 118.6660 59.0268 29.9185 178.2638 134 L 4.0501 7.7932 120.7346 58.1149 42.0146 178.9648 135 L 3.9967 8.2029 119.3205 57.8071 41.5424 179.4592 136 Q 4.0169 7.9816 117.8817 59.2315 28.6887 178.9541 137 E 4.0923 8.3611 119.4052 59.2998 29.4869 179.5361 138 I 3.9834 7.9984 120.1385 64.2688 37.2101 178.5313 139 K 4.2339 8.4260 119.4156 59.9899 31.9915 179.4012 140 T 3.9154 8.0647 115.8999 66.9185 68.4342 175.8365 141 C 4.2406 8.4572 120.2970 59.4681 41.4418 175.6476 142 W 3.7859 8.2339 120.5580 59.6718 28.3642 178.2648 143 N 4.4342 8.2865 116.5954 56.0613 37.9330 177.6668 144 K 3.9494 7.9142 119.4702 59.6395 31.9892 179.3327 145 I 3.7990 7.3518 118.4453 65.1375 37.1193 177.6679 146 L 4.3098 8.1573 120.6580 57.1052 41.1360 179.2487 147 M 4.5477 8.5991 115.8237 55.9110 31.4518 177.1509 148 G 4.1752 9.2669 106.9455 44.5827 0.0000 174.0789 149 T 4.2616 7.9033 111.9253 63.4086 69.9637 177.1108 150 K 4.2572 8.0906 120.7807 54.8639 30.7602 180.4584 151 E 4.5085 7.4132 117.9587 57.7473 32.0860 175.6499 *152 H 4.1918 8.1115 119.2791 56.0195 28.0658 174.7973 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 8 D 8.21 4.71 0.00 3.20 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 9 G 8.11 3.70 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 0.00 0.00 0.00 10 K 8.81 4.13 0.00 1.78 1.83 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.10 7.81 11 Q 8.33 4.14 0.00 2.42 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 12 Y 7.76 3.63 0.00 1.88 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 13 E 7.99 3.61 0.00 2.12 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 2.27 2.26 0.00 14 S 7.85 4.46 0.00 3.90 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 15 V 7.46 4.07 2.14 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 0.97 0.00 0.00 0.87 0.00 0.00 16 L 7.43 3.80 0.00 1.52 1.32 0.89 0.84 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 17 M 7.85 3.65 0.00 1.71 0.75 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 18 V 7.17 3.45 2.16 0.00 0.00 0.00 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 0.89 0.00 0.00 19 S 7.77 3.94 0.00 3.96 3.82 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 0.00 0.00 0.00 20 I 7.55 3.64 1.86 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.75 0.94 0.00 0.00 21 D 8.15 4.31 0.00 2.68 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 22 Q 7.59 3.88 0.00 2.03 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 23 L 7.78 4.09 0.00 1.83 1.57 0.67 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.05 4.07 0.00 1.81 1.72 0.93 0.96 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 25 D 7.87 4.48 0.00 2.91 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.85 4.59 0.00 4.16 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 27 M 7.71 4.85 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.51 0.00 28 K 8.32 3.88 0.00 2.13 1.94 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.00 7.81 29 E 8.27 4.06 0.00 2.01 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 2.23 1.87 0.00 30 I 6.92 4.17 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 1.23 1.10 1.04 0.00 0.00 31 G 8.70 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 32 S 7.76 4.70 0.00 3.64 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 33 N 8.94 5.09 0.00 2.62 2.84 0.00 0.00 6.78 7.74 0.00 0.00 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 C 7.97 4.72 0.00 3.16 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.38 3.98 0.00 1.88 1.90 0.92 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 36 N 8.84 4.35 0.00 2.73 2.92 0.00 0.00 7.15 8.00 0.00 0.00 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 N 7.32 4.00 0.00 3.20 2.84 0.00 0.00 6.87 7.54 0.00 0.00 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 E 8.35 3.94 0.00 2.02 2.02 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 2.73 2.61 0.00 39 F 9.55 4.76 0.00 3.67 3.21 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 0.00 40 N 9.01 4.47 0.00 2.85 2.96 0.00 0.00 6.44 8.13 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 41 F 8.59 4.14 0.00 3.14 2.97 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 0.00 0.00 0.00 42 F 7.97 4.61 0.00 3.29 3.26 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 43 K 8.18 4.31 0.00 1.89 1.92 0.00 1.80 0.00 0.00 1.82 0.00 0.00 3.11 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.69 1.69 7.81 44 R 8.28 4.26 0.00 1.88 1.84 0.00 3.20 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 45 H 7.96 5.00 0.00 2.54 3.22 0.00 5.76 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 I 8.12 4.29 1.80 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.44 0.85 0.00 0.00 47 C 7.66 4.40 0.00 2.06 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 48 D 7.68 4.52 0.00 2.66 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.45 3.59 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 50 N 9.01 4.13 0.00 2.74 2.76 0.00 0.00 6.93 6.68 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 51 K 8.17 4.60 0.00 1.65 1.68 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.12 1.11 7.81 52 E 7.88 4.18 0.00 1.94 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 2.32 2.49 0.00 53 G 8.12 3.61 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 0.00 0.00 0.00 54 M 8.07 4.12 0.00 2.03 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 2.61 2.18 0.00 55 F 7.79 4.33 0.00 3.20 3.24 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 56 L 7.92 3.80 0.00 1.55 1.51 -0.60 0.81 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 57 F 8.15 4.05 0.00 3.09 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 58 R 8.04 3.68 0.00 1.98 1.99 0.00 3.39 0.00 0.00 2.94 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.86 0.00 59 A 8.09 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 A 8.10 3.87 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 61 R 7.57 3.79 0.00 1.59 1.82 0.00 2.99 0.00 0.00 2.71 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.41 0.00 62 K 8.35 4.06 0.00 1.72 1.66 0.00 1.78 0.00 0.00 1.47 0.00 0.00 2.68 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.04 1.59 7.81 63 L 7.67 3.99 0.00 1.88 1.68 0.86 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 64 R 7.66 3.96 0.00 1.87 1.99 0.00 3.07 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.92 0.00 65 Q 8.11 4.11 0.00 2.35 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.73 0.00 0.00 0.00 0.00 0.00 2.48 2.35 0.00 66 F 8.15 4.63 0.00 3.14 3.18 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 67 L 8.11 4.37 0.00 1.69 1.64 0.96 0.76 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 68 K 8.41 4.38 0.00 2.03 1.76 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.25 7.81 69 M 8.80 4.09 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.13 0.00 70 N 7.79 4.83 0.00 2.74 2.68 0.00 0.00 6.68 7.64 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 71 S 7.74 4.48 0.00 3.86 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 72 T 7.82 4.48 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 73 G 8.54 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.39 4.34 0.00 2.76 2.82 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 0.00 0.00 0.00 75 F 8.45 4.05 0.00 3.14 3.11 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 0.00 76 D 8.28 4.43 0.00 2.85 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 77 L 8.19 3.95 0.00 1.76 1.62 0.88 1.25 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 78 H 8.35 4.22 0.00 3.15 3.17 0.00 5.62 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 79 L 7.70 3.82 0.00 1.81 1.64 0.92 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.07 3.97 0.00 1.88 1.70 0.92 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.39 3.90 0.00 1.88 1.84 0.00 1.67 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.64 7.81 82 V 7.91 3.60 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 1.09 0.00 0.00 0.95 0.00 0.00 83 S 7.93 4.23 0.00 4.19 4.08 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 0.00 0.00 0.00 0.00 84 E 8.51 4.05 0.00 2.18 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 0.00 2.33 2.33 0.00 85 G 7.99 3.53 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 0.00 86 T 8.30 4.43 4.40 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 1.47 0.00 0.00 87 T 8.26 3.96 4.51 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 1.30 0.00 0.00 88 I 7.60 3.74 2.04 0.00 0.00 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 1.81 0.76 0.95 0.00 0.00 89 L 7.67 4.45 0.00 2.03 2.00 1.04 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.33 4.70 0.00 1.67 1.61 0.98 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 91 N 7.68 5.07 0.00 2.68 2.58 0.00 0.00 6.63 7.46 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 *122 Q 7.44 4.42 0.00 2.27 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.93 0.00 0.00 0.00 0.00 0.00 2.26 1.93 0.00 123 K 8.71 4.31 0.00 1.65 1.60 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.27 1.38 7.81 124 K 8.10 4.50 0.00 1.95 1.60 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.38 1.01 7.81 125 L 7.93 4.63 0.00 0.27 0.87 0.60 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 126 N 8.26 4.90 0.00 2.64 2.81 0.00 0.00 6.91 8.06 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 0.00 127 D 8.10 4.53 0.00 2.92 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 0.00 128 L 8.72 4.26 0.00 1.82 1.78 0.92 1.14 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 0.00 129 C 8.50 4.45 0.00 3.62 3.44 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 0.00 130 F 8.22 3.59 0.00 2.64 3.19 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 0.00 131 L 7.71 3.26 0.00 0.80 1.59 0.08 0.49 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 0.00 132 K 8.36 3.76 0.00 1.86 2.01 0.00 1.84 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.45 7.81 133 R 7.96 3.99 0.00 2.02 1.96 0.00 3.03 0.00 0.00 2.99 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.93 0.00 134 L 7.79 4.05 0.00 1.16 1.38 0.62 0.17 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 0.00 135 L 8.20 4.00 0.00 1.75 1.67 0.79 0.97 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 0.00 136 Q 7.98 4.02 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.69 0.00 137 E 8.36 4.09 0.00 2.55 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 2.47 2.52 0.00 138 I 8.00 3.98 2.18 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 1.58 1.32 1.20 0.00 0.00 139 K 8.43 4.23 0.00 2.09 1.99 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.69 1.61 7.81 140 T 8.06 3.92 4.40 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 1.17 0.00 0.00 141 C 8.46 4.24 0.00 3.25 3.22 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 0.00 142 W 8.23 3.79 0.00 3.26 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 0.00 0.00 0.00 143 N 8.29 4.43 0.00 3.00 2.89 0.00 0.00 6.97 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 7.91 3.95 0.00 1.89 1.82 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.65 7.81 145 I 7.35 3.80 1.97 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.31 0.97 0.00 0.00 146 L 8.16 4.31 0.00 1.93 1.67 1.08 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 147 M 8.60 4.55 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.80 0.00 148 G 9.27 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 0.00 149 T 7.90 4.26 4.27 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 1.24 0.00 0.00 150 K 8.09 4.26 0.00 1.80 1.72 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 0.99 7.81 151 E 7.41 4.51 0.00 1.91 2.02 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 2.21 2.20 0.00 *152 H 8.11 4.19 0.00 3.31 3.09 0.00 7.17 0.00 0.00 0.00 0.00 6.91 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.