NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4864 8.1927 116.8084 58.6774 63.6751 175.3024 3 Q 3.8425 8.6064 122.9230 58.0862 28.9210 177.0338 4 S 4.1754 8.7876 116.5698 61.5638 63.7144 175.6451 5 N 4.3692 8.2371 119.9331 55.8796 38.4316 177.1692 6 R 3.9842 7.8969 119.8598 58.8183 29.9911 177.8506 7 E 4.0573 7.6381 117.5628 58.1904 29.8779 177.6746 8 L 3.7939 7.8105 119.2416 58.0504 41.7383 179.8390 9 V 3.8985 7.7949 117.5066 66.1075 31.4328 178.2424 10 V 3.1406 7.5646 117.5116 65.9680 31.2885 176.9813 11 D 4.2695 8.2035 117.8156 57.3930 41.0091 177.7438 12 F 3.9953 8.6134 120.8370 61.6692 39.3510 177.5146 13 L 4.2509 8.4203 118.2312 57.8791 41.3761 179.5525 14 S 4.4044 8.5843 115.3844 62.0035 62.9557 175.9438 15 Y 3.9912 8.3775 122.4442 60.6580 38.3090 178.4174 16 K 3.6115 7.9414 120.1184 59.3683 32.4193 178.5181 17 L 4.1271 8.1600 119.6679 58.4893 41.5822 179.0859 18 S 4.2872 8.6723 112.9818 61.5379 61.9738 176.0168 19 Q 3.7237 7.3186 122.0862 58.6323 29.0234 178.9683 20 K 4.5316 7.6344 115.7616 55.5284 32.4950 176.6179 21 G 3.6910 8.2446 107.2130 46.6827 0.0000 173.7131 22 Y 4.4880 8.1362 117.8846 55.9442 39.9468 175.0744 23 S 4.1549 8.4223 115.3210 57.4759 63.0422 173.4633 24 W 4.7416 7.1833 121.7447 56.3344 28.6530 177.7123 25 S 3.9123 7.4989 116.9757 61.1343 62.3134 176.1115 26 Q 4.0085 7.2289 115.4396 56.6543 28.4331 176.8537 27 F 5.1776 7.5884 117.9156 58.0221 39.3197 176.5615 *81 I 4.3631 8.4318 124.4341 61.7782 38.8745 175.0793 82 P 4.4390 0.0000 0.0000 62.7015 33.1757 176.7036 83 M 3.8854 8.5539 118.8870 58.8310 32.2530 178.1904 84 A 3.9947 8.1168 120.1933 55.4177 18.4028 179.3448 85 A 3.9670 7.8733 118.5369 54.9324 18.5179 179.8132 86 V 3.6102 7.5262 116.9226 66.2269 31.6596 178.1245 87 K 3.6726 8.3531 118.4771 59.7629 31.9222 179.0717 88 Q 3.8005 8.0772 119.2323 58.8879 28.9164 177.7032 89 A 3.9958 8.0530 121.9004 55.2644 18.3571 179.4605 90 L 4.0675 8.3104 118.8338 58.2880 42.1818 179.1364 91 R 3.6069 7.7900 118.0455 59.3257 29.8112 178.9127 92 E 3.9976 8.1279 117.8087 59.2698 29.3980 178.8589 93 A 4.3464 8.5077 121.4811 55.5335 18.2998 179.5051 94 G 4.2260 8.7896 104.1331 48.6054 0.0000 175.2605 95 D 4.5711 8.3801 121.8022 56.8991 40.4265 178.6771 96 E 4.0161 8.6320 119.7960 59.4836 29.5780 178.7277 97 F 4.4130 8.9659 120.9877 61.2875 39.2595 176.8569 98 E 4.2054 8.6977 117.6974 58.6915 29.3637 178.8765 99 L 4.1268 7.7465 118.9450 57.8273 41.7941 179.1015 100 R 3.9995 7.3388 116.6130 57.5647 30.0196 175.6094 101 Y 4.4412 6.9743 115.3779 56.3867 39.0509 174.9061 102 R 4.4379 8.3536 123.2723 56.1779 30.4501 178.9507 103 R 3.9624 7.8727 117.9256 56.9884 30.3325 176.2482 104 A 3.7337 7.2698 116.2516 54.3394 16.9732 177.0226 105 F 4.1925 7.6538 112.8350 58.8257 37.1030 178.0491 106 S 4.1730 8.2224 119.5452 60.9926 62.9775 175.9790 107 D 4.4041 8.1639 121.5209 56.6618 39.0617 178.7100 108 L 4.0643 7.9410 120.4213 57.5402 41.3190 179.3509 109 T 4.0661 9.0397 110.7483 64.9971 68.3779 176.6780 110 S 4.1916 8.3821 117.6398 61.6232 62.9293 176.4211 111 Q 4.1459 8.0769 119.7909 58.3059 28.4598 178.1665 112 L 4.1462 8.1840 121.1877 57.5415 43.7963 176.6142 113 H 4.0533 8.8025 111.5660 56.1786 27.6017 174.3819 114 I 3.7878 7.5752 119.8745 62.0812 38.9696 174.5771 115 T 4.7531 8.8629 117.0117 58.9863 71.6041 172.8122 116 P 4.4163 0.0000 0.0000 64.1851 31.3975 177.7253 117 G 3.8912 7.7383 106.0636 46.1467 0.0000 174.3792 118 T 3.9761 7.9432 118.0921 63.5458 69.0593 174.0041 119 A 4.7185 8.3801 129.0146 50.8504 20.7841 176.8766 120 Y 2.6294 8.6205 120.6339 60.9230 38.5886 179.1740 121 Q 3.6496 7.8712 117.8973 58.7330 28.6347 178.9010 122 S 4.0468 7.8907 116.4486 61.1774 62.8482 176.2088 123 F 3.9964 7.6259 122.8377 61.3337 39.1348 176.3734 124 E 3.8583 7.8531 118.9468 59.6123 29.0525 178.8901 125 Q 3.9167 7.4750 116.2918 58.6986 28.9847 178.8278 126 V 3.5409 7.2475 119.0693 66.0343 31.6933 178.2601 127 V 2.9968 7.4440 118.2670 65.7418 30.9857 177.3522 128 N 4.3988 8.0964 116.3214 56.6519 38.2026 176.4378 129 E 3.5267 7.7810 119.1712 59.7157 29.5576 178.8851 130 L 3.8440 7.5143 117.8343 56.3757 41.6775 177.7939 131 F 4.8415 8.3815 117.7110 57.0520 39.6733 177.6504 132 R 3.8775 8.1592 121.9548 59.4805 29.7643 177.6375 133 D 4.7081 8.1150 114.3662 53.8470 41.1855 176.9876 134 G 3.8340 7.9511 106.0347 44.6627 0.0000 173.9483 135 V 3.6993 7.3089 117.6250 62.5821 32.2149 175.1891 136 N 4.3792 7.3045 119.3255 50.1076 43.8513 175.6629 137 W 4.8762 8.7593 123.8308 60.3270 29.3526 178.9868 138 G 3.9734 8.5696 104.8874 48.2507 0.0000 175.6664 139 R 3.8656 8.0399 120.2096 58.8586 30.0649 179.0299 140 I 3.9499 8.1875 119.9280 64.5026 37.0289 178.6305 141 V 3.7461 8.0436 118.7671 65.9712 31.3004 178.0090 142 A 3.3106 7.8297 120.5993 54.5909 18.1371 179.3701 143 F 3.9774 8.3760 119.7859 61.3304 39.4418 177.4749 144 F 3.4327 8.1120 117.3106 60.3773 38.6644 177.6047 145 S 4.5332 8.2606 115.1193 61.8249 62.7641 176.5010 146 F 3.5602 8.2944 123.5246 61.0514 38.8922 176.9950 147 G 3.7508 7.6909 105.3033 47.9850 0.0000 175.4221 148 G 3.8981 8.3583 108.4259 47.5337 0.0000 175.4293 149 A 4.0306 8.5750 123.5795 54.6759 18.4050 179.4799 150 L 3.7110 7.6673 118.7742 58.3106 42.0938 178.7217 151 C 3.9047 8.0639 116.7711 62.9090 28.0488 176.2096 152 V 3.0230 7.7479 119.4917 66.0632 31.2628 177.5731 153 E 3.8771 8.6194 119.0631 59.3364 29.3245 179.1059 154 S 4.1260 7.9476 115.1650 61.5290 62.9367 176.7512 155 V 3.4789 7.6583 120.9190 66.1253 31.0377 177.6337 156 D 4.5648 8.0513 117.6948 56.6218 40.5740 178.0916 157 K 4.4402 7.1687 115.8158 54.8336 33.5912 176.2447 158 E 3.8072 8.0711 116.7507 57.9754 28.1315 175.2150 159 M 4.8530 7.9083 113.9339 54.5750 32.9394 177.5552 160 Q 4.1374 7.8526 116.5158 57.9066 29.5476 178.9763 161 V 3.6505 7.5264 112.0458 64.2147 32.1112 178.0104 162 L 3.8967 7.7897 119.7885 57.0903 41.2103 179.2436 163 V 3.4165 7.1639 117.9910 66.3074 31.3684 178.1876 164 S 4.5165 7.8302 112.3686 60.5446 63.0981 176.2354 165 R 3.4327 7.5386 122.4379 59.3643 29.8617 178.0037 166 I 3.0794 7.5943 119.6419 64.2079 37.1631 178.1281 167 A 4.0384 7.7871 121.3231 55.3771 18.2237 179.9341 168 S 4.0803 7.8945 113.4777 61.4577 62.8675 176.7612 169 W 4.4787 8.1629 121.9121 60.3849 28.7323 178.3944 170 M 4.6453 8.6413 118.5924 58.6886 31.3159 178.7826 171 A 4.2099 8.1337 120.5887 55.2339 18.6606 179.7371 172 T 3.8036 8.5059 114.8179 66.9567 68.5525 176.0879 173 Y 4.0457 8.7987 121.6927 60.6288 38.9054 177.7199 174 L 3.7954 8.5582 121.5537 58.4902 42.0485 178.8248 175 N 4.4757 8.3528 114.9233 55.5852 38.4202 176.2778 176 D 4.4236 7.5463 118.1779 56.5967 41.9936 177.4573 177 H 4.3689 8.0848 114.1614 56.2110 29.6755 176.4532 178 L 4.1792 7.2597 119.6749 55.9557 42.9286 177.9109 179 E 3.8856 8.3842 119.6399 59.0202 29.3402 177.0806 180 P 4.2901 0.0000 0.0000 65.2884 31.3487 178.1819 181 W 4.1132 7.9419 126.4278 59.9039 30.8257 177.7757 182 I 3.3208 7.8117 119.8074 64.7123 36.3389 178.0870 183 Q 3.9352 8.2314 118.0118 59.2450 28.6450 178.7588 184 E 3.9727 7.3224 117.7840 57.7749 30.0095 177.1869 185 N 4.7097 7.4049 116.5338 52.4323 39.6676 175.8242 186 G 4.1350 7.4075 107.2560 45.7925 0.0000 175.3293 187 G 3.9133 8.0540 109.6561 44.7167 0.0000 174.3623 188 W 4.6338 8.6400 116.7614 58.8652 28.9105 178.0985 189 D 4.5060 8.4601 119.4274 58.0965 40.4440 178.9304 190 T 4.1804 7.9171 116.9377 65.7500 68.5143 176.6660 191 F 3.2229 7.8290 122.2691 60.9503 39.4471 176.8914 192 V 3.4713 8.3214 118.1108 66.2823 31.4294 177.4386 193 D 4.3552 8.3492 118.7520 57.7593 40.4972 179.4321 194 L 4.0257 7.3717 117.8727 56.5784 41.8704 177.2529 195 Y 4.4358 7.3117 111.8190 56.9574 39.7533 175.7364 196 G 3.6910 7.9952 114.5910 45.7532 0.0000 173.6591 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 S 8.19 4.49 0.00 4.02 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 8.61 3.84 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.89 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 4 S 8.79 4.18 0.00 4.07 4.12 0.00 0.00 0.00 0.00 0.00 0.00 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 8.24 4.37 0.00 2.99 3.05 0.00 0.00 6.73 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 6 R 7.90 3.98 0.00 2.01 2.00 0.00 3.22 0.00 0.00 3.05 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 7 E 7.64 4.06 0.00 2.30 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 2.20 2.29 0.00 8 L 7.81 3.79 0.00 1.75 1.66 -0.29 0.18 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 9 V 7.79 3.90 2.19 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 1.12 0.00 0.00 1.19 0.00 0.00 10 V 7.56 3.14 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 0.36 0.00 0.00 0.58 0.00 0.00 11 D 8.20 4.27 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 12 F 8.61 4.00 0.00 3.04 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 13 L 8.42 4.25 0.00 2.08 2.01 1.11 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.58 4.40 0.00 4.17 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 15 Y 8.38 3.99 0.00 2.85 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 16 K 7.94 3.61 0.00 1.76 1.88 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.52 1.55 7.81 17 L 8.16 4.13 0.00 2.07 2.05 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.67 4.29 0.00 3.41 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 19 Q 7.32 3.72 0.00 1.70 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.85 0.00 0.00 0.00 0.00 0.00 2.26 2.24 0.00 20 K 7.63 4.53 0.00 2.00 1.98 0.00 1.90 0.00 0.00 1.84 0.00 0.00 3.20 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.60 7.81 21 G 8.24 3.69 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 0.00 0.00 0.00 22 Y 8.14 4.49 0.00 3.13 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 23 S 8.42 4.15 0.00 3.61 3.62 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 24 W 7.18 4.74 0.00 3.72 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 25 S 7.50 3.91 0.00 3.71 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 7.23 4.01 0.00 1.75 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.63 0.00 0.00 0.00 0.00 0.00 1.89 2.00 0.00 27 F 7.59 5.18 0.00 3.15 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 *81 I 8.43 4.36 1.90 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 1.51 0.77 0.94 0.00 0.00 82 P 0.00 4.44 0.00 2.25 2.17 0.00 3.72 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 2.07 2.02 0.00 83 M 8.55 3.89 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.58 0.00 84 A 8.12 3.99 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 85 A 7.87 3.97 1.37 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 0.00 0.00 86 V 7.53 3.61 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 0.64 0.00 0.00 0.99 0.00 0.00 87 K 8.35 3.67 0.00 1.85 1.86 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.51 7.81 88 Q 8.08 3.80 0.00 2.24 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.59 0.00 89 A 8.05 4.00 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 0.00 0.00 90 L 8.31 4.07 0.00 1.78 1.56 0.35 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 91 R 7.79 3.61 0.00 1.51 0.66 0.00 2.70 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 0.50 1.49 0.00 92 E 8.13 4.00 0.00 2.23 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 0.00 2.37 2.32 0.00 93 A 8.51 4.35 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 94 G 8.79 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 0.00 0.00 0.00 0.00 95 D 8.38 4.57 0.00 3.06 2.88 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 96 E 8.63 4.02 0.00 2.28 2.36 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 2.44 2.53 0.00 97 F 8.97 4.41 0.00 3.38 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 98 E 8.70 4.21 0.00 2.27 2.15 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 2.66 2.91 0.00 99 L 7.75 4.13 0.00 1.97 1.70 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 100 R 7.34 4.00 0.00 1.54 1.51 0.00 2.85 0.00 0.00 3.00 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.15 0.00 101 Y 6.97 4.44 0.00 2.38 2.53 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 0.00 102 R 8.35 4.44 0.00 1.91 1.94 0.00 3.13 0.00 0.00 3.32 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 103 R 7.87 3.96 0.00 1.73 1.96 0.00 3.36 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 104 A 7.27 3.73 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.65 4.19 0.00 3.45 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 0.00 106 S 8.22 4.17 0.00 3.92 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 8.16 4.40 0.00 2.97 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 0.00 108 L 7.94 4.06 0.00 2.14 1.94 0.92 0.43 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 0.00 109 T 9.04 4.07 4.61 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 1.33 0.00 0.00 110 S 8.38 4.19 0.00 4.03 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 0.00 111 Q 8.08 4.15 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.95 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 112 L 8.18 4.15 0.00 1.99 1.83 1.28 1.16 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 0.00 113 H 8.80 4.05 0.00 3.37 3.34 0.00 5.62 0.00 0.00 0.00 0.00 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.58 3.79 2.02 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.00 0.94 0.00 0.00 115 T 8.86 4.75 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 1.21 0.00 0.00 116 P 0.00 4.42 0.00 2.07 2.13 0.00 3.67 0.00 0.00 3.66 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 7.74 3.89 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 0.00 118 T 7.94 3.98 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 1.33 0.00 0.00 119 A 8.38 4.72 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 8.62 2.63 0.00 2.69 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 0.00 121 Q 7.87 3.65 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.70 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 122 S 7.89 4.05 0.00 3.86 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 0.00 123 F 7.63 4.00 0.00 2.59 2.46 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 0.00 124 E 7.85 3.86 0.00 1.37 1.74 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 2.22 2.40 0.00 125 Q 7.47 3.92 0.00 2.18 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 126 V 7.25 3.54 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 0.87 0.00 0.00 0.98 0.00 0.00 127 V 7.44 3.00 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 0.40 0.00 0.00 -0.23 0.00 0.00 128 N 8.10 4.40 0.00 3.07 2.86 0.00 0.00 6.54 7.11 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 0.00 129 E 7.78 3.53 0.00 2.05 1.81 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 2.23 2.34 0.00 130 L 7.51 3.84 0.00 1.24 0.23 0.64 0.13 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 0.00 131 F 8.38 4.84 0.00 3.03 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 0.00 132 R 8.16 3.88 0.00 1.71 2.00 0.00 3.20 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 133 D 8.11 4.71 0.00 2.62 2.64 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 0.00 0.00 0.00 0.00 134 G 7.95 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 V 7.31 3.70 0.73 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 -0.29 0.00 0.00 0.41 0.00 0.00 136 N 7.30 4.38 0.00 2.66 2.79 0.00 0.00 6.87 7.68 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 0.00 137 W 8.76 4.88 0.00 3.71 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 0.00 138 G 8.57 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 0.00 0.00 0.00 139 R 8.04 3.87 0.00 1.92 1.57 0.00 3.03 0.00 0.00 3.35 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.66 0.00 140 I 8.19 3.95 2.33 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.87 1.33 0.00 0.00 141 V 8.04 3.75 2.34 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 1.11 0.00 0.00 1.02 0.00 0.00 142 A 7.83 3.31 1.24 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 0.00 143 F 8.38 3.98 0.00 3.17 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 0.00 144 F 8.11 3.43 0.00 2.84 1.47 0.00 0.00 0.00 0.00 0.00 0.00 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 8.26 4.53 0.00 4.37 4.53 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 0.00 146 F 8.29 3.56 0.00 1.70 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 0.00 147 G 7.69 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 0.00 0.00 0.00 148 G 8.36 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 0.00 149 A 8.58 4.03 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 0.00 150 L 7.67 3.71 0.00 1.55 1.59 0.79 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 151 C 8.06 3.90 0.00 3.16 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 0.00 152 V 7.75 3.02 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 0.88 0.00 0.00 153 E 8.62 3.88 0.00 2.04 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 2.29 2.36 0.00 154 S 7.95 4.13 0.00 3.94 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 0.00 155 V 7.66 3.48 1.72 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 1.06 0.00 0.00 0.80 0.00 0.00 156 D 8.05 4.56 0.00 2.88 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 7.17 4.44 0.00 1.92 1.79 0.00 1.96 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.61 7.81 158 E 8.07 3.81 0.00 2.07 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 0.00 2.26 2.40 0.00 159 M 7.91 4.85 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.42 0.00 160 Q 7.85 4.14 0.00 2.08 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.72 6.91 0.00 0.00 0.00 0.00 0.00 2.34 2.25 0.00 161 V 7.53 3.65 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 0.67 0.00 0.00 0.86 0.00 0.00 162 L 7.79 3.90 0.00 1.59 1.52 0.89 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 163 V 7.16 3.42 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 0.67 0.00 0.00 0.75 0.00 0.00 164 S 7.83 4.52 0.00 4.20 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 0.00 165 R 7.54 3.43 0.00 1.53 1.19 0.00 2.68 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.41 0.00 166 I 7.59 3.08 1.87 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.12 0.90 0.00 0.00 167 A 7.79 4.04 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.89 4.08 0.00 3.91 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 0.00 169 W 8.16 4.48 0.00 2.99 2.44 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 0.00 170 M 8.64 4.65 0.00 2.09 2.38 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.63 0.00 171 A 8.13 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 172 T 8.51 3.80 4.33 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 0.86 0.00 0.00 173 Y 8.80 4.05 0.00 3.70 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 0.00 174 L 8.56 3.80 0.00 1.94 2.10 1.22 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 175 N 8.35 4.48 0.00 2.93 2.88 0.00 0.00 7.00 8.87 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 0.00 176 D 7.55 4.42 0.00 2.59 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 H 8.08 4.37 0.00 2.21 2.68 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 4.18 0.00 1.64 1.49 -0.12 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 179 E 8.38 3.89 0.00 2.23 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 0.00 2.37 2.43 0.00 180 P 0.00 4.29 0.00 2.14 2.04 0.00 3.42 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 181 W 7.94 4.11 0.00 3.23 3.05 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 0.00 0.00 0.00 182 I 7.81 3.32 1.90 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.59 0.44 0.00 0.00 183 Q 8.23 3.94 0.00 1.88 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.02 0.00 0.00 0.00 0.00 0.00 2.55 2.51 0.00 184 E 7.32 3.97 0.00 1.86 1.82 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 2.07 2.08 0.00 185 N 7.40 4.71 0.00 1.44 2.30 0.00 0.00 7.19 7.11 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 0.00 186 G 7.41 4.14 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 0.00 0.00 0.00 187 G 8.05 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 0.00 188 W 8.64 4.63 0.00 3.50 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 0.00 189 D 8.46 4.51 0.00 3.00 2.79 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 0.00 190 T 7.92 4.18 4.45 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 1.25 0.00 0.00 191 F 7.83 3.22 0.00 2.84 3.50 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 0.00 192 V 8.32 3.47 2.31 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 0.98 0.00 0.00 1.12 0.00 0.00 193 D 8.35 4.36 0.00 2.77 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 0.00 194 L 7.37 4.03 0.00 1.46 1.21 0.70 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 195 Y 7.31 4.44 0.00 2.21 2.56 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 0.00 0.00 0.00 0.00 196 G 8.00 3.69 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.