NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 4.7832 8.3027 120.3958 55.8825 31.3339 173.7926 1 M 3.9525 8.8516 124.2790 58.4963 32.1071 177.3333 2 S 4.1987 7.7382 115.2447 61.4756 63.4636 175.7929 3 Q 3.9690 7.9312 121.7577 59.2930 28.9464 178.1334 4 S 4.1485 8.2733 116.2492 61.8764 62.9073 176.5951 5 N 4.4945 8.3919 119.0874 56.2439 38.2194 177.5557 6 R 3.9692 8.0482 120.1148 59.3513 30.1563 178.4276 7 E 3.9203 8.3160 118.4747 59.2240 29.3911 179.1048 8 L 3.8116 7.8703 118.9905 57.8461 41.6351 179.4685 9 V 3.8508 7.9372 117.8721 66.5107 31.3791 178.2224 10 V 3.0009 7.9125 117.7136 65.7789 31.1592 177.5439 11 D 4.2142 8.1322 117.9888 57.0676 41.0470 178.0658 12 F 3.9424 8.4176 121.3264 61.2297 39.3879 177.2583 13 L 4.1629 8.3760 118.8701 57.9934 41.3737 179.5785 14 S 4.3289 8.2319 115.2852 61.7779 62.6635 176.1793 15 Y 3.8507 8.1656 122.2589 60.4962 38.5427 178.0948 16 K 3.7173 8.0782 120.5034 59.3519 32.2885 178.7463 17 L 4.1069 8.2147 119.4441 57.8672 41.6263 179.2780 18 S 4.3794 8.3030 113.1412 61.6934 62.0764 175.7985 19 Q 3.8107 7.7060 120.7825 58.9001 28.7497 177.8088 20 K 4.4788 7.8159 116.0322 56.1438 32.4502 177.3779 21 G 3.8078 8.1162 107.9121 45.3194 0.0000 173.0722 22 Y 4.4739 7.9905 117.2409 55.8865 40.2040 175.0908 23 S 4.1216 8.3992 115.4954 57.5179 63.3634 173.3907 24 W 4.9528 7.2088 121.1399 56.4029 28.3031 177.6348 25 S 4.0016 7.5901 116.7484 61.4596 62.2801 175.6802 26 Q 3.8358 7.8188 118.4298 57.6200 28.5083 176.5346 27 F 5.1934 7.5458 116.7185 55.8795 41.4027 176.4174 28 S 4.6423 8.3594 115.7261 57.2275 64.1052 171.0059 *82 P 4.1087 0.0000 0.0000 63.0114 32.4322 176.9318 83 M 3.8773 8.8336 123.3194 58.7954 32.0944 177.7166 84 A 3.8899 8.0257 119.8875 55.3272 18.5311 179.3253 85 A 3.9963 7.9332 118.6873 54.8141 18.4083 180.1987 86 V 3.5204 7.5943 116.5919 66.0762 31.7050 177.9786 87 K 3.6263 7.9948 118.5317 59.6365 31.9100 179.0632 88 Q 3.7694 7.9211 119.0948 59.0749 28.9421 178.0252 89 A 4.0440 7.9681 121.8877 55.0241 18.3885 179.4235 90 L 3.9824 8.4362 119.3756 58.1685 42.2170 179.2341 91 R 3.4764 8.1122 118.4521 59.3547 29.9349 178.9356 92 E 4.0191 8.1199 117.9111 59.3626 29.3944 179.3413 93 A 4.3572 8.6914 121.5033 54.9959 18.3305 179.9332 94 G 4.0205 8.6330 104.4318 48.3019 0.0000 175.6396 95 D 4.5375 8.2593 121.4736 57.0985 40.8708 178.6029 96 E 4.0127 8.5362 119.7938 59.2888 29.6482 178.6211 97 F 4.3437 8.7415 120.8686 61.4881 39.5187 177.0220 98 E 3.8330 8.8746 118.6474 59.1594 29.0542 179.2983 99 L 4.0024 8.0233 118.5984 57.4965 41.7426 179.2465 100 R 4.0197 7.7474 117.3494 59.3526 30.3631 178.0485 101 A 3.9727 8.0031 119.0137 52.3582 18.9051 177.2779 102 R 3.5827 7.4038 114.7528 56.9022 28.4886 176.7196 103 R 3.6954 7.3389 116.5891 56.0584 30.5209 175.8764 104 A 4.2103 8.4744 127.6289 52.6419 19.2481 176.7975 105 F 4.0002 7.8945 113.6411 58.1252 37.0599 177.7977 106 S 4.3174 8.3707 117.7944 62.1272 62.6603 175.8727 107 D 4.3977 8.0596 120.9310 57.2004 40.6040 178.7038 108 L 3.9613 7.8127 119.2990 58.0088 41.7797 179.4371 109 T 4.0823 8.7164 110.4840 64.9125 68.4487 176.7009 110 S 4.2697 7.9997 116.2705 61.2736 63.1599 176.2135 111 Q 4.1515 8.0256 121.0208 58.4667 28.4799 178.1817 112 L 3.9380 8.2143 121.0179 57.5131 43.5221 176.9084 113 H 4.0659 8.6717 111.8609 56.0907 27.7501 174.8114 114 I 3.8248 7.5580 118.5435 62.2787 39.0119 174.3992 115 T 4.7948 8.8588 116.5446 59.3409 71.8855 172.5110 116 P 4.5236 0.0000 0.0000 63.5407 31.1371 177.6601 117 G 3.9148 7.9885 107.6567 46.6938 0.0000 174.9588 118 T 4.0203 7.8850 117.3137 63.6340 69.1887 173.7219 119 A 4.9231 8.2509 127.7931 50.4568 21.2285 176.9924 120 Y 2.5197 8.5395 120.4802 60.4900 38.7331 178.5374 121 Q 3.8709 8.1894 117.8503 59.7565 28.3980 179.2491 122 S 4.0111 7.8305 116.6629 61.0583 62.7905 176.2280 123 F 4.0048 7.5333 122.8683 61.2814 39.0860 176.5471 124 E 3.7614 8.0161 119.1140 59.4127 29.1223 178.8710 125 Q 3.9310 7.5555 116.8044 58.6624 28.9944 178.6541 126 V 3.7156 7.4366 118.8994 66.0638 31.5707 178.4085 127 V 3.1139 7.4388 118.0640 65.6807 31.1378 177.4729 128 N 4.5542 8.0714 117.7546 55.7818 38.1128 176.9954 129 E 3.9634 7.7334 118.9388 59.0983 29.5092 179.0406 130 L 3.8502 7.6790 118.5765 56.2862 41.6986 177.6179 131 F 4.9363 7.5019 117.6814 57.0640 39.4863 178.0780 132 R 4.0751 8.0873 122.0420 58.7351 30.0228 177.4059 133 D 4.6759 8.0856 115.9307 53.6943 41.0921 177.0012 134 G 3.8385 8.2513 107.7879 44.8251 0.0000 173.5946 135 V 3.8624 7.4796 118.0850 62.0453 32.2913 174.9423 136 N 3.1957 7.6133 122.3696 49.6283 41.5983 175.2773 137 W 4.8950 8.4801 119.5296 60.3608 29.0186 178.9874 138 G 3.7936 8.3902 104.9962 47.8372 0.0000 175.8056 139 R 3.8688 7.9595 119.8054 58.7551 30.1530 178.8266 140 I 4.0822 8.0450 119.8801 64.5564 37.0759 178.5880 141 V 3.6999 8.3410 118.9464 65.9785 31.3824 177.8861 142 A 3.5588 8.1215 120.8573 54.8125 18.0657 179.2265 143 F 3.9988 8.7691 119.5496 61.5898 39.4230 177.3445 144 F 3.2789 8.4152 117.2714 60.3214 38.5951 177.6659 145 S 4.4829 8.4144 113.0287 61.3387 62.2682 175.6722 146 F 3.7508 8.6688 123.8870 61.3820 38.9279 177.4737 147 G 3.4862 8.0530 105.3618 47.3753 0.0000 175.7592 148 G 3.8462 8.4822 107.9936 47.7951 0.0000 175.5691 149 A 4.0259 8.5529 123.7642 54.8255 18.3515 179.4987 150 L 3.8188 7.9534 119.2200 58.1606 42.0519 178.8885 151 C 3.9785 8.1208 116.8851 62.8249 28.0570 176.2220 152 V 2.9915 7.8077 119.7218 65.9389 31.0645 177.7437 153 E 3.9348 8.4647 118.6259 59.5975 29.2895 179.5947 154 S 4.0715 8.2240 115.2694 61.5136 62.8843 176.9180 155 V 3.5397 7.7062 120.8022 66.2304 31.0912 177.8985 156 D 4.5511 8.1981 117.3515 56.6625 40.6307 177.8514 157 K 4.3429 7.8304 117.1158 55.1371 32.5317 176.1859 158 E 3.8247 8.1844 117.6022 58.3067 27.9296 174.5703 159 M 4.8177 8.1495 113.1858 54.4025 32.9593 177.8789 160 Q 3.9176 7.9351 120.4862 59.0263 29.9217 176.9545 161 V 3.5938 7.8309 113.0678 64.2789 31.4755 177.8813 162 L 3.6871 8.0270 118.2329 56.5747 41.4607 179.3607 163 V 3.4952 7.5488 119.3209 66.0779 31.6009 178.1938 164 S 4.3025 7.7593 113.1834 61.1015 62.8091 176.2223 165 R 3.4923 6.9988 121.0893 59.2137 29.6399 178.5345 166 I 3.1240 7.7020 119.7754 63.9768 36.9485 178.3232 167 A 3.9390 7.8995 121.6790 55.0731 18.2056 179.6710 168 S 4.0840 7.7846 111.3312 61.2381 62.3861 176.4510 169 W 4.5481 8.3601 122.1831 60.1034 28.6483 178.4932 170 M 4.5905 8.4779 118.7812 58.4617 31.3619 178.7001 171 A 4.1246 8.4003 121.1020 55.4208 18.4630 179.7993 172 T 3.8125 8.2153 114.3243 66.9981 68.2405 176.3095 173 Y 4.1590 8.6589 122.9471 59.8822 38.8071 177.4193 174 L 3.8529 8.5495 121.6167 58.3964 42.0707 178.7846 175 N 4.3272 8.3541 115.3603 56.1631 38.4855 176.8263 176 D 4.2592 8.1282 118.8213 57.3821 41.5611 177.2959 177 H 4.4919 8.0559 114.2092 55.9954 29.9083 176.2877 178 L 4.1728 7.2639 119.6106 56.1285 42.9448 177.7775 179 E 3.8776 8.2616 119.4543 59.1218 29.3387 177.3222 180 P 4.1978 0.0000 0.0000 65.1334 31.4304 178.3698 181 W 3.7952 7.9508 126.6300 60.3321 30.6997 177.6526 182 I 3.2790 7.6815 119.8092 64.7018 36.4380 178.4331 183 Q 3.9108 8.3755 118.8486 58.8759 28.2901 178.4789 184 E 3.8531 7.6976 119.2985 58.0712 29.5563 177.5149 185 N 4.6563 7.0235 115.1355 52.8199 39.4214 175.3923 186 G 4.1824 7.1119 107.4051 45.5268 0.0000 175.9717 187 G 3.9422 8.3673 110.3104 44.4877 0.0000 174.5547 188 W 4.5574 8.5731 117.0198 59.5642 28.7994 178.2183 189 D 4.5055 8.2881 119.0237 57.6035 40.3453 178.5801 190 T 3.8826 7.9486 115.9823 66.2232 68.4401 176.2974 191 F 3.1025 7.7980 122.1946 61.2470 39.1899 177.1143 192 V 3.5999 8.0549 117.4723 66.3355 31.0513 177.7226 193 D 4.2788 7.9248 117.3433 56.7994 40.6361 177.9697 194 L 4.1773 7.3172 118.0372 55.9014 42.1852 177.4574 195 Y 4.3219 7.5557 114.9830 58.8583 39.6050 175.9924 196 G 3.7436 8.0513 112.4452 45.7097 0.0000 173.1792 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 0 H 8.30 4.78 0.00 3.20 3.34 0.00 5.67 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 1 M 8.85 3.95 0.00 2.33 2.15 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 3.02 0.00 2 S 7.74 4.20 0.00 3.47 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 3 Q 7.93 3.97 0.00 2.21 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.89 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 4 S 8.27 4.15 0.00 4.14 3.93 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 5 N 8.39 4.49 0.00 3.04 3.02 0.00 0.00 6.69 7.18 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 6 R 8.05 3.97 0.00 1.99 2.11 0.00 3.17 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 7 E 8.32 3.92 0.00 2.24 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 2.32 2.52 0.00 8 L 7.87 3.81 0.00 1.85 1.51 -0.35 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 9 V 7.94 3.85 2.30 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 1.09 0.00 0.00 1.08 0.00 0.00 10 V 7.91 3.00 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 0.75 0.00 0.00 0.68 0.00 0.00 11 D 8.13 4.21 0.00 2.84 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 12 F 8.42 3.94 0.00 3.08 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 13 L 8.38 4.16 0.00 1.58 1.81 0.89 1.24 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 14 S 8.23 4.33 0.00 3.98 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 Y 8.17 3.85 0.00 2.96 2.95 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 0.00 0.00 0.00 16 K 8.08 3.72 0.00 1.86 1.81 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.57 1.57 7.81 17 L 8.21 4.11 0.00 2.18 2.13 1.20 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.30 4.38 0.00 3.41 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 19 Q 7.71 3.81 0.00 1.51 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.23 0.00 20 K 7.82 4.48 0.00 2.14 2.09 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.66 1.69 7.81 21 G 8.12 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 22 Y 7.99 4.47 0.00 3.16 2.96 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 0.00 23 S 8.40 4.12 0.00 3.61 3.63 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 24 W 7.21 4.95 0.00 3.75 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 25 S 7.59 4.00 0.00 3.64 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.82 3.84 0.00 0.93 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.69 0.00 0.00 0.00 0.00 0.00 2.06 2.20 0.00 27 F 7.55 5.19 0.00 3.25 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 28 S 8.36 4.64 0.00 4.00 3.93 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 *82 P 0.00 4.11 0.00 2.23 2.09 0.00 3.66 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 83 M 8.83 3.88 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.61 0.00 84 A 8.03 3.89 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 85 A 7.93 4.00 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 86 V 7.59 3.52 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 0.43 0.00 0.00 0.99 0.00 0.00 87 K 7.99 3.63 0.00 1.83 1.87 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.43 7.81 88 Q 7.92 3.77 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 89 A 7.97 4.04 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.44 3.98 0.00 1.50 1.62 0.22 -0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.11 3.48 0.00 1.48 0.66 0.00 2.74 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 1.50 0.00 92 E 8.12 4.02 0.00 2.26 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 2.35 2.34 0.00 93 A 8.69 4.36 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.63 4.02 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 0.00 0.00 0.00 95 D 8.26 4.54 0.00 3.04 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 E 8.54 4.01 0.00 2.26 2.30 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 2.40 2.57 0.00 97 F 8.74 4.34 0.00 3.25 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 98 E 8.87 3.83 0.00 2.22 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 2.57 2.85 0.00 99 L 8.02 4.00 0.00 1.86 1.75 0.96 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 100 R 7.75 4.02 0.00 1.84 2.07 0.00 3.29 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 101 A 8.00 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 R 7.40 3.58 0.00 1.81 1.88 0.00 3.14 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 103 R 7.34 3.70 0.00 1.26 0.93 0.00 3.04 0.00 0.00 3.02 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.85 0.00 104 A 8.47 4.21 1.31 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 0.00 0.00 0.00 105 F 7.89 4.00 0.00 3.50 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 S 8.37 4.32 0.00 3.89 3.97 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 0.00 107 D 8.06 4.40 0.00 2.77 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 0.00 108 L 7.81 3.96 0.00 1.90 1.55 0.76 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 109 T 8.72 4.08 4.46 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 1.61 0.00 0.00 110 S 8.00 4.27 0.00 4.13 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 0.00 111 Q 8.03 4.15 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 7.01 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 112 L 8.21 3.94 0.00 1.95 1.90 1.19 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 113 H 8.67 4.07 0.00 3.35 3.40 0.00 5.62 0.00 0.00 0.00 0.00 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.56 3.82 2.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.07 0.95 0.00 0.00 115 T 8.86 4.79 4.29 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 1.34 0.00 0.00 116 P 0.00 4.52 0.00 2.07 2.11 0.00 3.69 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 2.02 2.06 0.00 117 G 7.99 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 0.00 118 T 7.89 4.02 4.71 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 1.31 0.00 0.00 119 A 8.25 4.92 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 0.00 120 Y 8.54 2.52 0.00 2.67 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 0.00 121 Q 8.19 3.87 0.00 2.27 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.70 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 122 S 7.83 4.01 0.00 3.91 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 0.00 123 F 7.53 4.00 0.00 2.41 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 E 8.02 3.76 0.00 1.23 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 2.36 2.57 0.00 125 Q 7.56 3.93 0.00 2.23 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 126 V 7.44 3.72 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 0.86 0.00 0.00 0.91 0.00 0.00 127 V 7.44 3.11 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 0.34 0.00 0.00 -0.22 0.00 0.00 128 N 8.07 4.55 0.00 2.97 2.87 0.00 0.00 6.86 7.27 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 0.00 129 E 7.73 3.96 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 2.26 2.50 0.00 130 L 7.68 3.85 0.00 0.64 0.83 0.56 0.81 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 0.00 131 F 7.50 4.94 0.00 3.07 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 0.00 132 R 8.09 4.08 0.00 1.74 1.96 0.00 3.14 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 133 D 8.09 4.68 0.00 2.60 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 0.00 134 G 8.25 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 0.00 135 V 7.48 3.86 1.02 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 0.05 0.00 0.00 0.43 0.00 0.00 136 N 7.61 3.20 0.00 2.76 2.56 0.00 0.00 6.21 8.88 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 0.00 137 W 8.48 4.89 0.00 3.74 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 0.00 138 G 8.39 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 R 7.96 3.87 0.00 1.85 1.40 0.00 3.07 0.00 0.00 3.32 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 140 I 8.05 4.08 2.34 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.68 1.41 0.00 0.00 141 V 8.34 3.70 2.27 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 1.19 0.00 0.00 1.15 0.00 0.00 142 A 8.12 3.56 1.20 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 0.00 143 F 8.77 4.00 0.00 3.26 3.52 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 0.00 144 F 8.42 3.28 0.00 2.77 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 0.00 0.00 0.00 145 S 8.41 4.48 0.00 4.35 4.43 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 0.00 146 F 8.67 3.75 0.00 1.98 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 0.00 147 G 8.05 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 0.00 148 G 8.48 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 A 8.55 4.03 1.52 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 0.00 150 L 7.95 3.82 0.00 1.58 1.49 0.73 0.80 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 0.00 151 C 8.12 3.98 0.00 3.16 2.95 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 0.00 0.00 0.00 152 V 7.81 2.99 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 0.99 0.00 0.00 0.79 0.00 0.00 153 E 8.46 3.93 0.00 2.16 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 2.35 2.44 0.00 154 S 8.22 4.07 0.00 3.93 4.02 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 0.00 155 V 7.71 3.54 1.93 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 1.22 0.00 0.00 0.89 0.00 0.00 156 D 8.20 4.55 0.00 2.82 2.76 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 0.00 157 K 7.83 4.34 0.00 1.84 1.84 0.00 1.88 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.59 7.81 158 E 8.18 3.82 0.00 2.13 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 2.26 2.41 0.00 159 M 8.15 4.82 0.00 1.95 2.06 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.42 0.00 160 Q 7.94 3.92 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.85 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 161 V 7.83 3.59 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.87 0.00 0.00 162 L 8.03 3.69 0.00 1.65 1.49 0.89 0.49 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 0.00 163 V 7.55 3.50 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 1.10 0.00 0.00 0.89 0.00 0.00 164 S 7.76 4.30 0.00 4.01 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 R 7.00 3.49 0.00 1.56 1.36 0.00 2.72 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.14 0.00 166 I 7.70 3.12 1.70 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.08 0.80 0.00 0.00 167 A 7.90 3.94 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 S 7.78 4.08 0.00 3.92 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 0.00 169 W 8.36 4.55 0.00 2.99 2.28 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 0.00 170 M 8.48 4.59 0.00 2.06 2.30 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.40 0.00 171 A 8.40 4.12 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 T 8.22 3.81 4.42 0.00 0.00 0.00 0.00 0.00 0.00 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 0.00 173 Y 8.66 4.16 0.00 3.76 3.48 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 0.00 174 L 8.55 3.85 0.00 2.03 2.06 1.18 1.29 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 0.00 175 N 8.35 4.33 0.00 2.78 2.84 0.00 0.00 7.08 7.62 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 0.00 176 D 8.13 4.26 0.00 2.52 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 H 8.06 4.49 0.00 2.24 2.69 0.00 5.68 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 L 7.26 4.17 0.00 1.64 1.45 0.15 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 179 E 8.26 3.88 0.00 2.17 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 0.00 2.33 2.41 0.00 180 P 0.00 4.20 0.00 2.15 2.03 0.00 3.65 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 181 W 7.95 3.80 0.00 3.21 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 0.00 182 I 7.68 3.28 1.83 0.00 0.00 0.57 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 0.50 0.39 0.00 0.00 183 Q 8.38 3.91 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.80 0.00 0.00 0.00 0.00 0.00 2.61 2.44 0.00 184 E 7.70 3.85 0.00 1.85 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 185 N 7.02 4.66 0.00 1.44 2.20 0.00 0.00 7.26 7.71 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 0.00 186 G 7.11 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 0.00 187 G 8.37 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 0.00 0.00 0.00 188 W 8.57 4.56 0.00 3.47 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 0.00 189 D 8.29 4.51 0.00 2.75 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 0.00 190 T 7.95 3.88 4.54 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 1.35 0.00 0.00 191 F 7.80 3.10 0.00 2.56 3.40 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 0.00 192 V 8.05 3.60 2.27 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 1.08 0.00 0.00 1.10 0.00 0.00 193 D 7.92 4.28 0.00 2.81 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 0.00 194 L 7.32 4.18 0.00 1.25 1.30 0.89 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 195 Y 7.56 4.32 0.00 2.34 2.66 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 0.00 0.00 0.00 0.00 196 G 8.05 3.74 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.