NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 25 G 3.9352 8.3393 109.7363 45.9516 0.0000 176.4536 26 D 4.4685 8.5351 117.1700 51.4376 38.2032 173.2257 27 K 4.5154 8.6673 126.8253 54.7400 35.1102 176.1171 28 P 4.8108 0.0000 0.0000 63.6199 32.5303 175.4522 29 R 5.4229 8.8953 121.0679 55.3137 35.3883 173.9414 30 A 4.4157 8.8694 122.9103 50.7397 23.3619 174.5643 31 H 4.7983 7.4368 121.4090 54.1680 32.4892 172.5488 32 L 5.1763 8.6066 126.0263 53.0287 44.9378 175.6244 33 T 5.4647 8.5142 111.2857 59.5932 72.3443 173.8158 34 V 4.0381 8.7647 122.7587 62.1233 32.2715 175.4836 35 V 4.5506 7.7401 114.0067 58.9457 35.6391 175.4269 36 R 3.3501 8.3335 121.2108 56.6141 30.1812 175.9029 37 Q 4.0879 8.0270 124.2582 55.1467 29.8094 175.2637 38 T 4.2825 8.4313 112.4023 59.5328 69.9189 172.9944 39 P 4.3923 0.0000 0.0000 63.1144 33.5671 172.8636 40 T 4.4963 8.4054 113.9447 62.7173 66.7026 174.4431 *46 Q 4.2134 9.3265 113.1915 55.5208 30.3736 175.5021 47 F 4.9775 8.0952 118.1652 55.6203 39.1587 173.7579 48 P 4.5202 0.0000 0.0000 62.5388 32.5362 175.5974 49 A 4.6608 8.3594 123.3323 51.7274 19.3121 177.3771 50 L 4.2607 8.5847 121.8181 54.4686 42.5808 176.2307 51 H 5.0382 8.6054 116.5329 53.5427 31.3059 173.0735 52 W 5.0231 8.9801 119.5855 54.6099 33.1415 174.8627 53 E 4.3383 9.4275 122.3965 56.3709 29.6735 176.7935 54 H 4.9486 8.9498 118.9711 55.0629 29.9086 174.3116 55 E 4.7414 8.7701 114.9019 55.9871 32.2182 175.5402 56 L 4.5054 8.2139 119.6369 54.4001 44.0848 177.9403 57 G 3.8148 8.1205 109.7181 47.4164 0.0000 176.2198 58 L 4.2982 9.7463 124.6463 55.4382 41.9079 176.8296 59 A 4.7014 7.6790 120.8756 52.1514 19.2528 176.6445 60 F 5.2167 8.8062 113.6043 57.3788 41.6164 172.8881 61 T 5.3303 8.6330 109.1678 60.3302 71.7714 172.7921 62 K 4.4825 9.3487 121.1646 56.0062 36.5697 174.3907 63 N 4.3175 9.7777 115.1954 54.6644 35.9074 175.7094 64 R 4.2014 8.2634 114.9170 55.8738 28.5299 176.7736 65 M 4.2103 7.8400 118.1055 55.7602 32.9901 174.7605 66 N 4.9758 8.6657 122.8313 52.0086 42.2610 172.1776 67 Y 5.0471 8.7985 128.1835 56.7889 39.9264 174.7621 68 T 4.1204 8.5856 121.9334 61.6311 70.6315 173.0040 69 N 3.7831 9.1237 127.3754 54.8589 37.0824 174.6800 70 K 4.1380 7.8518 113.0240 56.3995 30.2732 175.8205 71 F 5.3565 7.5973 118.3314 55.6313 41.8900 174.5422 72 L 4.8173 9.2162 125.4641 54.4310 43.2477 174.8899 73 L 4.9620 8.8374 129.3183 53.6030 44.2451 175.0762 74 I 4.1560 8.8405 128.3998 59.9919 37.6408 175.1392 75 P 4.6804 0.0000 0.0000 64.1445 32.0620 175.9637 76 E 4.6877 7.5225 116.5261 54.6568 32.7410 174.7520 77 S 4.5547 8.8104 122.3859 57.5860 63.7785 174.0716 78 G 4.0133 7.9811 111.9965 45.7592 0.0000 170.2618 79 D 5.4680 7.7982 118.8545 53.2039 42.5560 175.7789 80 Y 4.7660 9.3918 121.0432 56.0838 41.9533 174.2446 81 F 5.0499 8.4817 124.8885 56.9305 41.4014 174.6348 82 I 5.0189 7.7917 126.0653 59.8499 41.2538 173.8969 83 Y 5.1716 8.3072 122.2800 56.5295 41.8143 173.3392 84 S 5.0550 9.0329 113.9855 57.3418 66.5804 172.7438 85 Q 4.9271 7.9030 126.9243 54.1062 32.0375 174.1033 86 V 4.4094 8.4646 125.4428 61.3104 34.4051 174.2382 87 T 4.8074 8.3271 125.1169 63.0115 69.4407 174.0304 88 F 5.4480 9.8205 125.6872 55.9203 42.0776 174.9662 89 R 3.9956 8.7129 117.7996 54.2872 32.3162 175.1484 90 G 3.1640 6.3471 109.1369 46.4816 0.0000 172.9754 91 M 3.0917 8.3648 119.2614 56.2910 29.0689 178.5656 *106 K 4.3139 7.9304 118.8983 55.8174 34.1607 173.9172 107 P 4.4942 0.0000 0.0000 62.5116 32.4100 176.2641 108 D 4.3969 8.6224 120.6174 57.1560 41.1158 175.9971 109 S 5.0227 7.4391 111.0302 57.0714 66.3713 173.4150 110 I 4.4348 8.5416 113.1238 59.3933 40.8192 174.6652 111 T 5.1508 8.1880 119.4582 62.1789 73.2310 172.8634 112 V 5.0183 9.0770 125.9382 61.2134 34.6146 174.4868 113 V 4.9672 8.8197 126.0390 61.3346 35.2268 173.7435 114 I 4.8042 8.5770 128.1441 59.9712 39.4959 174.8366 115 T 5.0245 8.8723 122.7424 61.5200 72.9456 172.6188 116 K 4.9943 8.9812 125.8632 54.6225 35.0284 174.7318 117 V 4.6895 9.2421 128.1061 61.3892 33.9318 174.2502 118 T 4.7712 8.2884 123.3987 61.7822 70.8108 173.6987 119 D 4.4608 9.0618 126.4561 57.7192 40.8988 178.3243 120 S 4.2434 7.8758 111.6490 61.3719 63.3823 174.0141 121 Y 4.2783 7.8817 120.0861 56.7492 38.3683 174.8916 122 P 4.3495 0.0000 0.0000 65.8177 31.9521 176.7991 123 E 4.1490 7.8145 118.8195 54.4056 30.0331 174.9540 124 P 4.6166 0.0000 0.0000 63.3285 32.4745 175.5253 125 T 4.5665 8.8990 119.6324 61.9237 70.6444 173.8414 126 Q 4.2682 8.6391 126.1476 56.1460 28.7732 175.9936 127 L 4.0166 8.7225 125.4644 56.8387 42.5775 177.7129 128 L 4.8828 7.5577 117.3070 53.2715 46.2268 174.9837 129 M 5.1718 8.8315 122.2892 53.7134 35.4482 174.2896 130 G 4.1901 9.4450 113.6304 44.7777 0.0000 171.6233 131 T 5.1848 8.5644 120.3986 59.8664 70.4689 172.9011 132 K 4.6751 9.0559 129.5821 54.4477 35.5226 175.4002 133 S 4.6846 8.7989 122.5927 58.2130 64.0281 173.6163 134 V 3.9064 8.3053 122.6721 60.5265 32.5522 175.2522 135 C 4.0821 8.4053 124.7238 61.3248 32.0388 173.3698 136 E 4.4890 7.4235 116.1073 54.5333 31.0716 175.8523 137 V 4.0726 7.9903 119.4865 61.5935 34.2616 175.7448 138 G 4.1287 8.3260 110.5243 44.3782 0.0000 176.7096 139 S 4.5972 8.8044 115.2864 58.1573 65.2580 173.6819 140 N 4.9213 8.5953 119.6142 52.4293 38.7608 175.5493 141 W 4.6021 7.7178 115.2839 56.3921 30.3152 175.6872 142 F 5.5123 7.5214 114.9793 55.9227 40.7328 173.4588 143 Q 4.9264 10.3353 116.0508 55.0603 31.9809 171.0823 144 P 5.3145 0.0000 0.0000 62.0957 33.4422 174.9508 145 I 4.6527 9.0236 123.4710 59.8845 39.8109 173.7323 146 Y 5.2181 8.8427 128.1767 55.9525 41.1779 174.7245 147 L 4.8438 8.0007 124.7509 53.4477 46.6101 175.2681 148 G 4.4682 8.5941 108.3102 45.3728 0.0000 171.5675 149 A 4.4747 8.1478 123.8106 51.3699 23.5528 174.2977 150 M 4.9131 8.1546 118.7696 54.4182 33.8062 175.2611 151 F 4.9651 9.1638 123.3998 55.9145 44.1336 173.7440 152 S 5.2668 8.7944 118.0133 57.3085 63.5262 173.6032 153 L 4.9279 9.7264 125.3525 53.0275 45.4839 175.6430 154 Q 4.8219 9.1603 119.9294 53.5343 30.9333 175.1163 155 E 4.0610 8.9841 122.1209 58.3747 29.9458 177.1136 156 G 4.0168 9.2254 114.5284 45.3201 0.0000 173.7190 157 D 4.6733 8.0406 119.4695 54.4979 42.2508 175.7478 158 K 5.0482 8.9631 120.3462 54.6444 35.7897 175.2553 159 L 5.5360 9.2340 124.7025 53.4054 45.0319 175.3603 160 M 5.2352 9.0356 118.6006 54.1152 35.6981 173.4687 161 V 4.5608 8.1634 118.3602 61.1759 34.2293 173.8852 162 N 5.9827 9.1292 125.0609 51.0530 41.7186 174.1145 163 V 4.9878 7.9793 113.1343 59.5276 35.4158 175.9951 164 S 2.8269 8.3229 117.6157 60.7953 63.8619 174.1226 165 D 4.3354 7.8174 119.9557 53.1217 42.1780 175.1819 166 I 3.7048 8.3987 129.5360 64.1877 37.3050 178.6081 167 S 4.3353 8.1402 113.4711 59.9717 63.2875 174.8781 168 L 4.4312 7.9768 120.7845 55.3366 41.9867 176.5516 169 V 3.6945 7.2602 119.8273 62.1645 31.8239 174.7786 170 D 4.2577 8.6716 128.4285 53.9984 41.5016 175.2048 171 Y 4.6372 7.3015 123.3090 56.7564 38.7885 177.2561 172 T 3.9801 7.6974 111.2396 63.8343 69.3764 174.8956 173 K 4.5676 7.5223 120.9796 55.0781 36.4001 176.5810 174 E 4.2627 8.9852 121.8951 58.3656 29.8038 177.0987 175 D 4.8489 8.1017 117.4722 53.5696 40.2898 176.8781 176 K 4.5142 8.1571 119.1225 57.7508 33.5308 176.9142 177 T 4.8448 7.6735 114.9839 61.8057 72.7487 173.2820 178 F 5.2723 8.7121 119.9889 56.8705 42.1746 172.7744 179 F 4.9793 8.7135 120.5133 57.3279 42.8852 173.1513 180 G 3.6939 7.9090 112.4835 45.0603 0.0000 170.6861 181 A 5.1328 8.4153 118.2410 50.9543 23.1153 175.7057 182 F 5.6364 8.8859 116.3501 54.8588 41.8439 173.7658 183 L 3.3222 8.7596 124.6546 54.6954 42.4913 176.8960 184 L 4.3374 8.3322 125.5459 55.2042 41.5243 176.7885 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 25 G 8.34 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 26 D 8.54 4.47 0.00 3.05 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 27 K 8.67 4.52 0.00 1.81 1.81 0.00 1.78 0.00 0.00 1.92 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.46 7.81 28 P 0.00 4.81 0.00 2.37 2.14 0.00 3.65 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 29 R 8.90 5.42 0.00 1.99 2.06 0.00 3.24 0.00 0.00 3.27 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.97 0.00 30 A 8.87 4.42 0.94 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 31 H 7.44 4.80 0.00 2.99 2.74 0.00 5.73 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.61 5.18 0.00 0.85 1.33 0.13 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.51 5.46 4.41 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 1.29 0.00 0.00 34 V 8.76 4.04 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 0.82 0.00 0.00 0.75 0.00 0.00 35 V 7.74 4.55 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 0.78 0.00 0.00 0.81 0.00 0.00 36 R 8.33 3.35 0.00 1.31 1.60 0.00 3.03 0.00 0.00 2.97 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.71 0.00 37 Q 8.03 4.09 0.00 1.90 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.61 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 38 T 8.43 4.28 4.19 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 1.17 0.00 0.00 39 P 0.00 4.39 0.00 2.02 2.00 0.00 3.56 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 40 T 8.41 4.50 4.21 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 1.18 0.00 0.00 *46 Q 9.33 4.21 0.00 2.31 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.26 2.48 0.00 47 F 8.10 4.98 0.00 2.76 3.07 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 0.00 0.00 0.00 48 P 0.00 4.52 0.00 2.07 2.16 0.00 3.86 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.95 0.00 49 A 8.36 4.66 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.58 4.26 0.00 1.17 0.52 0.53 0.64 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 51 H 8.61 5.04 0.00 3.24 3.20 0.00 5.70 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 52 W 8.98 5.02 0.00 2.68 2.90 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 53 E 9.43 4.34 0.00 2.08 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 2.35 0.00 54 H 8.95 4.95 0.00 3.27 3.24 0.00 5.47 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.77 4.74 0.00 2.01 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 0.00 2.22 2.25 0.00 56 L 8.21 4.51 0.00 1.77 1.65 0.96 0.97 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 57 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 58 L 9.75 4.30 0.00 1.72 1.82 0.95 0.67 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 59 A 7.68 4.70 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 60 F 8.81 5.22 0.00 3.07 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 61 T 8.63 5.33 4.48 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 1.24 0.00 0.00 62 K 9.35 4.48 0.00 1.92 2.12 0.00 1.42 0.00 0.00 1.81 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.56 1.50 7.81 63 N 9.78 4.32 0.00 3.01 2.96 0.00 0.00 7.15 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 64 R 8.26 4.20 0.00 1.99 2.32 0.00 3.25 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 1.53 1.63 0.00 65 M 7.84 4.21 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 66 N 8.67 4.98 0.00 2.84 2.63 0.00 0.00 6.43 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 67 Y 8.80 5.05 0.00 2.97 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 68 T 8.59 4.12 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 69 N 9.12 3.78 0.00 2.87 3.00 0.00 0.00 7.27 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 70 K 7.85 4.14 0.00 1.60 2.09 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.30 1.31 7.81 71 F 7.60 5.36 0.00 3.16 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 72 L 9.22 4.82 0.00 1.80 1.53 0.86 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.84 4.96 0.00 1.80 1.69 0.88 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 74 I 8.84 4.16 1.80 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.35 0.76 0.00 0.00 75 P 0.00 4.68 0.00 2.23 2.40 0.00 3.82 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 76 E 7.52 4.69 0.00 1.96 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 2.29 2.33 0.00 77 S 8.81 4.55 0.00 3.94 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 78 G 7.98 4.01 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 0.00 0.00 0.00 79 D 7.80 5.47 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 80 Y 9.39 4.77 0.00 2.80 2.80 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 0.00 0.00 0.00 81 F 8.48 5.05 0.00 2.78 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 82 I 7.79 5.02 1.89 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 1.22 0.59 0.89 0.00 0.00 83 Y 8.31 5.17 0.00 3.14 3.14 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 84 S 9.03 5.06 0.00 3.73 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.90 4.93 0.00 2.32 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.52 0.00 0.00 0.00 0.00 0.00 2.22 2.47 0.00 86 V 8.46 4.41 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 0.11 0.00 0.00 0.86 0.00 0.00 87 T 8.33 4.81 4.19 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 1.27 0.00 0.00 88 F 9.82 5.45 0.00 3.30 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 89 R 8.71 4.00 0.00 1.46 1.70 0.00 2.84 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.36 0.00 90 G 6.35 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 0.00 0.00 0.00 91 M 8.36 3.09 0.00 2.16 2.13 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 2.51 2.52 0.00 *106 K 7.93 4.31 0.00 1.80 1.92 0.00 1.83 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.47 7.81 107 P 0.00 4.49 0.00 2.34 2.07 0.00 3.92 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 1.93 2.18 0.00 108 D 8.62 4.40 0.00 2.69 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 0.00 109 S 7.44 5.02 0.00 3.83 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 0.00 110 I 8.54 4.43 0.56 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 1.03 0.91 0.63 0.00 0.00 111 T 8.19 5.15 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 1.47 0.00 0.00 112 V 9.08 5.02 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 0.97 0.00 0.00 1.21 0.00 0.00 113 V 8.82 4.97 2.20 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 1.06 0.00 0.00 1.10 0.00 0.00 114 I 8.58 4.80 1.76 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.55 0.81 0.00 0.00 115 T 8.87 5.02 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 1.28 0.00 0.00 116 K 8.98 4.99 0.00 1.62 1.53 0.00 1.68 0.00 0.00 1.46 0.00 0.00 2.71 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.24 1.24 7.81 117 V 9.24 4.69 1.83 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 0.86 0.00 0.00 1.01 0.00 0.00 118 T 8.29 4.77 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 1.13 0.00 0.00 119 D 9.06 4.46 0.00 2.63 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 0.00 120 S 7.88 4.24 0.00 4.06 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 0.00 121 Y 7.88 4.28 0.00 2.86 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 0.00 122 P 0.00 4.35 0.00 2.12 2.12 0.00 3.40 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.86 0.00 123 E 7.81 4.15 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 2.32 0.00 124 P 0.00 4.62 0.00 2.09 2.09 0.00 3.74 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 1.98 2.02 0.00 125 T 8.90 4.57 4.21 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 1.19 0.00 0.00 126 Q 8.64 4.27 0.00 1.91 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 7.02 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 127 L 8.72 4.02 0.00 1.15 0.28 0.31 0.61 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 0.00 128 L 7.56 4.88 0.00 1.52 1.52 1.02 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 129 M 8.83 5.17 0.00 2.00 1.91 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.56 0.00 130 G 9.45 4.19 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 0.00 131 T 8.56 5.18 4.28 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 1.23 0.00 0.00 132 K 9.06 4.68 0.00 1.76 1.48 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.22 1.31 7.81 133 S 8.80 4.68 0.00 3.82 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 0.00 134 V 8.31 3.91 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 0.36 0.00 0.00 -0.25 0.00 0.00 135 C 8.41 4.08 0.00 2.79 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 0.00 136 E 7.42 4.49 0.00 2.09 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 2.24 2.27 0.00 137 V 7.99 4.07 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 0.73 0.00 0.00 0.95 0.00 0.00 138 G 8.33 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 S 8.80 4.60 0.00 3.97 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 0.00 140 N 8.60 4.92 0.00 2.81 2.87 0.00 0.00 6.94 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 0.00 141 W 7.72 4.60 0.00 3.44 3.32 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 0.00 0.00 0.00 0.00 142 F 7.52 5.51 0.00 3.12 2.91 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 0.00 143 Q 10.34 4.93 0.00 2.26 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.92 0.00 0.00 0.00 0.00 0.00 2.61 2.46 0.00 144 P 0.00 5.31 0.00 2.37 2.22 0.00 3.86 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 145 I 9.02 4.65 2.16 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 1.20 1.21 1.02 0.00 0.00 146 Y 8.84 5.22 0.00 3.10 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 0.00 147 L 8.00 4.84 0.00 1.45 1.45 0.99 1.05 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 0.00 148 G 8.59 4.47 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 0.00 149 A 8.15 4.47 1.01 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 0.00 0.00 150 M 8.15 4.91 0.00 2.00 2.08 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 2.53 2.49 0.00 151 F 9.16 4.97 0.00 2.93 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 0.00 152 S 8.79 5.27 0.00 3.81 3.86 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 0.00 153 L 9.73 4.93 0.00 1.53 1.42 0.53 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 154 Q 9.16 4.82 0.00 2.13 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.84 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 155 E 8.98 4.06 0.00 1.91 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 2.33 2.30 0.00 156 G 9.23 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 0.00 157 D 8.04 4.67 0.00 2.54 2.50 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 0.00 158 K 8.96 5.05 0.00 1.10 1.07 0.00 0.76 0.00 0.00 1.32 0.00 0.00 2.44 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.12 1.23 7.81 159 L 9.23 5.54 0.00 1.82 1.74 0.81 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 160 M 9.04 5.24 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.66 0.00 161 V 8.16 4.56 2.13 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 1.07 0.00 0.00 -0.43 0.00 0.00 162 N 9.13 5.98 0.00 2.80 3.00 0.00 0.00 6.62 7.24 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 0.00 163 V 7.98 4.99 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 0.70 0.00 0.00 0.85 0.00 0.00 164 S 8.32 2.83 0.00 3.59 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 0.00 165 D 7.82 4.34 0.00 2.63 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 0.00 166 I 8.40 3.70 1.82 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.19 0.80 0.00 0.00 167 S 8.14 4.34 0.00 4.01 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 0.00 168 L 7.98 4.43 0.00 2.24 2.04 1.19 0.97 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 0.00 169 V 7.26 3.69 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 0.46 0.00 0.00 0.62 0.00 0.00 170 D 8.67 4.26 0.00 2.47 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 0.00 171 Y 7.30 4.64 0.00 3.20 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 0.00 172 T 7.70 3.98 4.05 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 0.63 0.00 0.00 173 K 7.52 4.57 0.00 1.84 1.97 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.31 1.48 7.81 174 E 8.99 4.26 0.00 2.19 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 2.34 2.38 0.00 175 D 8.10 4.85 0.00 2.88 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 0.00 176 K 8.16 4.51 0.00 1.91 1.91 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.42 7.81 177 T 7.67 4.84 4.28 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 1.25 0.00 0.00 178 F 8.71 5.27 0.00 3.12 3.23 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 0.00 179 F 8.71 4.98 0.00 1.74 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 0.00 180 G 7.91 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 0.00 181 A 8.42 5.13 1.01 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 0.00 0.00 182 F 8.89 5.64 0.00 3.20 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 0.00 183 L 8.76 3.32 0.00 1.20 1.51 0.32 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 184 L 8.33 4.34 0.00 1.72 1.60 0.96 1.21 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 * Residues marked with a * may have inaccurate shift predictions.