NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.9183 8.2133 109.7293 44.5160 0.0000 174.5249 4 Q 4.2592 7.6953 115.9490 54.6091 29.7554 175.5951 5 L 4.4563 7.5341 119.2426 55.6099 44.0679 177.9094 6 T 4.2507 7.7890 109.0267 63.9620 67.6766 176.8885 7 K 4.1026 7.5617 119.3646 58.6338 31.9923 179.1133 8 Q 3.8842 7.6913 119.8116 59.5146 29.0899 177.6727 9 H 4.2749 8.0140 116.9738 58.6881 28.7408 178.0862 10 V 3.5510 8.1439 120.8004 65.5815 31.3428 177.8041 11 R 3.7531 7.4248 117.8354 59.4587 29.7997 177.9537 12 A 3.9452 7.8342 120.2414 55.5669 18.4920 179.7593 13 L 3.8029 7.6420 116.5291 57.6211 41.5693 179.6857 14 A 4.1714 7.9078 120.7499 54.9033 18.2635 179.7814 15 I 3.6844 8.1582 119.0519 64.6804 37.0637 178.7134 16 S 4.1415 8.0541 113.4588 61.5581 62.5737 176.0792 17 A 4.2295 7.6672 123.0475 54.8379 18.3521 179.2982 18 L 4.1882 7.9406 116.4331 55.0583 43.1052 176.4677 19 A 3.6004 7.5857 121.2193 52.2054 15.6288 174.3468 20 P 3.9213 0.0000 0.0000 61.2855 32.7886 176.4082 21 K 4.5888 8.0596 120.5176 53.6386 36.4347 173.7793 22 P 4.2640 0.0000 0.0000 64.2112 31.5476 176.1271 23 H 4.1352 8.0111 117.0424 57.0741 26.7424 174.5184 24 E 4.9430 7.6109 116.8921 55.3256 32.1661 175.4767 25 T 5.7003 8.4264 118.8659 61.0620 71.3905 172.9459 26 L 4.2865 8.2668 129.2899 53.9556 43.6751 175.3196 27 W 5.3756 9.1510 127.2584 56.1410 30.3987 174.9538 28 D 5.4036 9.6044 127.0636 52.9550 41.6268 175.1324 29 I 4.5641 9.2851 127.6764 60.9344 40.4205 176.0129 30 G 4.0996 9.4103 111.2801 44.3163 0.0000 171.8298 31 G 3.7477 8.7035 107.5430 46.6955 0.0000 173.7302 32 G 3.9399 9.0276 113.8862 46.0875 0.0000 173.8569 33 S 4.4692 7.7405 111.9872 59.3884 63.5803 172.7268 34 G 3.5108 9.3022 120.4643 46.0781 0.0000 175.0732 35 S 4.1050 7.9691 117.7551 62.0273 62.8663 177.2212 36 I 3.5286 7.6341 120.9606 63.6516 36.8873 178.3952 37 A 3.8996 7.6792 121.5160 55.3878 18.3900 179.6456 38 I 4.0324 7.9307 118.0507 63.8094 37.2252 178.4428 39 E 3.9192 7.7896 120.3855 58.8505 29.3837 177.9895 40 W 4.3646 8.3490 127.5584 60.9290 31.0716 177.6082 41 L 4.3145 8.7758 118.9311 57.2086 40.9676 178.0909 42 R 4.6131 7.9061 117.4857 56.5117 31.4328 176.7979 43 S 4.5326 7.6037 108.8983 57.3730 64.8799 174.0154 44 T 4.2791 7.5304 117.1843 61.3070 70.8808 171.5740 45 P 4.0789 0.0000 0.0000 64.3361 31.8760 175.3605 46 Q 3.4995 9.0052 117.9504 55.9499 25.0272 172.2903 47 T 4.8306 7.3337 106.8113 60.6139 72.2984 174.4397 48 T 5.0834 8.7093 113.4847 60.0151 71.9530 172.6592 49 A 5.1371 9.0495 125.8482 50.0960 22.6549 175.0350 50 V 4.6196 9.4094 120.6775 61.2053 34.5194 174.2680 51 C 5.1949 8.3119 124.6377 58.1696 31.4608 173.2778 52 F 5.3130 8.6610 119.7485 54.4441 40.6985 172.6633 53 E 4.6487 8.9591 124.1605 54.1112 31.9359 176.5513 54 I 3.7042 8.5726 126.8585 63.8144 38.7056 176.7768 55 S 4.2940 8.5383 116.2958 57.6251 63.0551 174.3206 56 E 3.9677 8.8709 128.2013 59.9065 28.8626 179.1376 57 E 3.9937 8.0918 118.8368 58.9833 29.5575 179.2530 58 R 3.8092 7.9056 118.0419 58.9978 30.0265 179.1588 59 R 3.9539 8.0640 118.1302 59.2298 29.7218 178.8975 60 E 3.9666 8.0461 118.5626 58.9442 29.2601 178.8871 61 R 4.1256 7.4642 117.9259 58.0895 30.3257 178.5914 62 I 3.7081 7.4968 119.6423 64.3800 37.1094 178.0899 63 L 3.9512 7.6586 121.2750 57.9639 41.8567 178.5892 64 S 4.0609 7.7654 113.0075 61.7897 61.7277 176.0446 65 N 4.4601 7.9475 118.4973 55.6532 38.3713 177.4582 66 A 4.0299 8.0498 122.5624 55.1403 18.3748 179.3291 67 I 3.7009 7.8889 119.8460 64.1158 37.1088 178.0266 68 N 4.5513 8.0637 114.4538 54.6014 38.2969 175.5287 69 L 4.6092 7.1258 118.8435 53.7345 42.4045 176.4932 70 G 4.0686 8.8590 105.9301 46.4876 0.0000 174.5361 71 V 4.4098 8.0017 117.5191 62.2333 31.4959 177.4101 72 S 4.2724 8.1935 115.6193 60.0556 63.3103 174.7273 73 D 4.9228 7.9807 118.6026 53.1348 39.4293 176.7345 74 R 4.7406 7.7826 114.6242 56.3802 33.7308 173.6769 75 I 4.9573 7.9127 119.0374 59.0799 40.7257 174.2118 76 A 4.6417 8.4741 130.1902 50.2365 21.5667 175.8268 77 V 3.9207 8.2580 122.0504 61.6220 32.7051 174.9411 78 Q 4.3088 8.3696 129.1447 54.9271 31.8740 174.2497 79 Q 5.4970 7.5483 117.7138 54.5435 31.3331 174.8873 80 G 3.8366 8.4503 107.3849 46.0018 0.0000 173.5226 81 A 3.6270 8.0198 126.4962 50.7815 19.1234 175.8917 82 P 2.9700 0.0000 0.0000 64.1480 32.1770 179.1163 83 R 3.7012 7.8227 118.1776 59.3808 30.0796 177.7603 84 A 4.2432 7.9351 119.0272 53.6437 18.2315 179.2858 85 F 4.3582 7.5010 117.4592 60.5130 38.8563 177.0846 86 D 4.6198 8.4263 117.2733 56.0793 40.6471 176.4944 87 D 4.7709 7.5973 116.1077 53.5230 41.9886 175.3074 88 V 4.3157 7.8556 118.3630 61.2137 32.1001 173.6159 89 P 4.4744 0.0000 0.0000 65.2643 31.5917 176.9739 90 D 4.7793 7.8901 116.5566 52.8590 41.9792 176.0039 91 N 4.2033 8.4842 121.3270 52.0754 39.1543 173.5298 92 P 4.0015 0.0000 0.0000 63.0732 31.8916 175.7040 93 D 4.5459 9.0447 119.9188 56.0182 42.4294 176.7861 94 V 4.7787 7.5419 116.2515 61.0642 35.6109 174.2463 95 I 5.1876 8.6781 125.1464 59.4976 41.5338 174.2132 96 F 5.8163 9.3926 126.2520 55.5087 42.8432 173.3301 97 I 5.2039 7.2384 125.9102 58.7929 39.4218 176.0245 98 G 4.0892 8.8606 112.2731 45.8219 0.0000 173.7840 *100 G 3.9304 7.7533 107.7506 45.5324 0.0000 174.8018 101 L 4.2129 7.9186 124.0925 57.2109 42.3049 177.2305 102 T 4.6381 7.5622 106.8378 61.1141 69.7137 173.8772 103 A 3.9840 8.0707 124.5338 52.2191 18.8636 175.6702 104 P 4.2055 0.0000 0.0000 66.6871 31.5089 175.5113 105 G 4.1763 9.2787 112.7272 45.9714 0.0000 174.8323 106 V 3.6054 7.6881 117.9001 66.2830 31.1921 177.7951 107 F 4.4084 8.3236 119.3539 61.1042 39.4415 176.4733 108 A 4.2321 8.4961 119.6201 55.8856 17.9354 178.6566 109 A 4.0319 8.0314 116.9807 55.1226 18.5753 179.0556 110 A 3.5912 9.5771 118.7386 54.9888 18.5006 179.8397 111 W 3.7856 8.7900 127.9243 60.2549 30.5419 178.2638 112 K 3.6472 8.1887 117.9728 59.9053 31.7371 178.3588 113 R 3.9650 7.1954 116.9609 55.8937 30.5880 176.1327 114 L 3.8390 6.6990 121.7016 53.1193 42.8660 174.6957 115 P 4.2921 0.0000 0.0000 61.3911 32.2080 175.7504 116 V 3.5013 8.1862 119.2849 64.8153 31.7123 175.7696 117 G 3.9598 8.8150 113.9376 46.6192 0.0000 172.9664 118 G 4.0435 7.4286 104.6965 44.4089 0.0000 173.4975 119 R 5.8670 8.0242 116.9143 53.2221 33.3572 175.0312 120 L 5.1695 8.3375 124.5655 53.2047 45.6536 174.7519 121 V 4.9305 8.6711 125.8905 61.2233 33.8563 174.1526 122 A 4.9852 9.7153 130.0605 50.0856 22.5393 174.3101 123 N 5.6765 9.0273 116.5289 51.4974 41.8321 174.1164 124 A 5.0222 9.3410 123.7477 50.4733 22.7729 177.0282 125 V 4.5360 8.5642 115.3955 60.2891 33.7136 175.1585 126 T 4.7441 7.5122 110.6870 59.2118 73.0825 174.8691 127 V 3.5283 8.1020 119.5178 66.0904 31.4012 177.2844 128 E 3.9326 8.2037 116.5663 59.8474 29.3926 179.2140 129 S 4.2158 7.8289 113.1493 61.6431 62.9943 176.0266 130 E 3.9840 8.0185 120.7510 59.0855 29.9515 178.0921 131 Q 4.4789 8.4531 118.4162 56.4716 29.5885 178.0711 *133 L 3.7330 7.9531 121.3070 54.3634 43.7192 179.4770 134 W 4.1408 7.2558 115.9447 58.5200 29.3119 177.9046 135 A 4.2110 7.5113 120.3676 54.4632 18.9412 179.3028 136 L 3.6613 7.1665 116.7913 57.4009 41.0769 179.3664 137 R 3.9530 7.0930 120.6247 58.4774 29.6741 178.1877 138 K 4.1917 7.3884 115.9232 58.2659 32.2996 178.5152 139 Q 3.9213 7.5648 118.1440 57.1784 28.9029 176.2130 140 F 4.9475 7.8383 116.6986 57.1980 40.5159 177.6351 141 G 3.9992 7.7781 108.4917 44.3895 0.0000 175.1679 142 G 4.1579 8.9925 114.9002 45.3262 0.0000 171.7746 143 T 4.9012 8.1481 113.3361 62.1902 73.3659 173.3881 144 I 5.0549 8.7052 125.4506 58.6890 39.7332 174.8367 145 S 4.9305 8.4953 120.5926 56.5444 66.8581 172.5175 146 S 4.3249 7.7291 112.5503 56.7173 65.9169 173.4843 147 F 5.0238 8.7554 120.1645 55.7428 42.0223 173.7894 148 A 4.8919 8.9032 125.7477 50.3142 20.8444 175.1475 149 I 4.4923 8.4080 123.1284 60.0397 39.9619 175.2785 150 S 5.4635 8.4454 121.4073 56.2730 66.6412 172.6256 151 H 5.2821 8.4731 117.5649 53.5747 32.7171 173.2240 152 E 4.3329 8.9403 118.9417 57.4622 30.3550 176.3545 153 H 4.5137 9.4124 121.7820 55.2208 32.6162 172.5205 154 T 4.4617 8.2481 125.9827 62.3789 66.3605 176.0811 155 V 3.9661 7.7484 123.8732 60.5650 30.8952 176.5659 156 G 4.0692 8.1362 114.9408 44.2541 0.0000 172.9873 157 S 4.1723 8.4955 117.8238 58.8694 63.2847 174.2094 158 F 4.7561 7.5884 119.0545 55.6448 41.1473 174.7323 159 I 4.3041 8.5477 127.5609 61.6030 38.7561 174.9671 160 T 4.4952 8.3518 113.7223 61.8125 71.7192 176.5468 *162 K 4.3817 8.7400 125.9249 55.1178 33.0591 171.7283 163 P 4.8645 0.0000 0.0000 62.3546 32.0945 176.0664 164 A 4.6186 8.5817 124.7767 50.3840 20.5782 177.1155 165 L 4.0346 8.3856 119.0546 54.3628 42.1315 175.8799 166 P 5.3611 0.0000 0.0000 62.4133 32.7863 175.6525 167 V 4.7100 8.1068 119.0713 62.1544 35.0584 172.9060 168 H 5.1988 9.5977 125.0516 54.0956 31.6679 173.3485 169 Q 5.1174 8.5514 122.4363 54.2478 32.3298 173.3223 170 W 5.2531 9.2499 135.0000 56.1132 32.6101 174.3485 171 T 5.0030 8.3344 122.4764 60.2746 69.8645 173.0468 172 V 4.4186 8.0311 125.8867 60.2820 35.5556 173.4278 173 V 4.8064 8.0382 120.6814 60.5375 33.9853 175.1080 174 K 4.3758 9.6274 129.1598 56.8412 32.1435 176.3199 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 3 G 8.21 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 0.00 0.00 0.00 4 Q 7.70 4.26 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.38 6.63 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 5 L 7.53 4.46 0.00 1.45 1.59 0.80 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 6 T 7.79 4.25 4.32 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 1.40 0.00 0.00 7 K 7.56 4.10 0.00 1.83 1.90 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.49 1.68 7.81 8 Q 7.69 3.88 0.00 2.13 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.79 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 9 H 8.01 4.27 0.00 3.34 3.28 0.00 5.67 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.14 3.55 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 1.07 0.00 0.00 1.04 0.00 0.00 11 R 7.42 3.75 0.00 1.93 2.16 0.00 3.14 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 12 A 7.83 3.95 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 13 L 7.64 3.80 0.00 1.31 1.26 0.13 1.23 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 14 A 7.91 4.17 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 15 I 8.16 3.68 1.86 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 1.82 1.49 0.91 0.00 0.00 16 S 8.05 4.14 0.00 4.01 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 17 A 7.67 4.23 1.54 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 0.00 0.00 18 L 7.94 4.19 0.00 2.07 2.25 1.10 1.09 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 19 A 7.59 3.60 1.33 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 0.00 0.00 0.00 20 P 0.00 3.92 0.00 1.59 0.80 0.00 3.47 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.47 0.00 21 K 8.06 4.59 0.00 1.94 1.59 0.00 1.64 0.00 0.00 1.78 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.36 7.81 22 P 0.00 4.26 0.00 1.88 1.73 0.00 3.78 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.01 0.00 23 H 8.01 4.14 0.00 3.28 3.41 0.00 5.64 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 7.61 4.94 0.00 2.35 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 0.00 2.34 2.32 0.00 25 T 8.43 5.70 4.26 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 1.39 0.00 0.00 26 L 8.27 4.29 0.00 0.27 0.13 0.56 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 27 W 9.15 5.38 0.00 3.19 3.10 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 0.00 0.00 0.00 0.00 28 D 9.60 5.40 0.00 2.59 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 29 I 9.29 4.56 2.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.28 1.02 0.00 0.00 30 G 9.41 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.70 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 32 G 9.03 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 33 S 7.74 4.47 0.00 4.12 4.16 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 34 G 9.30 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 0.00 0.00 0.00 35 S 7.97 4.10 0.00 3.84 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 36 I 7.63 3.53 1.63 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.19 0.66 0.00 0.00 37 A 7.68 3.90 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.93 4.03 1.89 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 1.42 0.51 0.93 0.00 0.00 39 E 7.79 3.92 0.00 1.91 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 2.36 0.00 40 W 8.35 4.36 0.00 3.43 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 41 L 8.78 4.31 0.00 1.95 1.77 0.99 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 42 R 7.91 4.61 0.00 2.16 1.90 0.00 3.20 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 43 S 7.60 4.53 0.00 4.00 4.22 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 44 T 7.53 4.28 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 1.02 0.00 0.00 45 P 0.00 4.08 0.00 2.12 2.05 0.00 3.79 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.98 0.00 46 Q 9.01 3.50 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 47 T 7.33 4.83 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 1.15 0.00 0.00 48 T 8.71 5.08 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 1.27 0.00 0.00 49 A 9.05 5.14 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 V 9.41 4.62 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 0.19 0.00 0.00 1.02 0.00 0.00 51 C 8.31 5.19 0.00 2.92 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 52 F 8.66 5.31 0.00 2.83 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 53 E 8.96 4.65 0.00 2.08 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 2.25 2.32 0.00 54 I 8.57 3.70 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 1.30 0.92 0.92 0.00 0.00 55 S 8.54 4.29 0.00 3.94 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 56 E 8.87 3.97 0.00 2.22 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 0.00 2.36 2.40 0.00 57 E 8.09 3.99 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 58 R 7.91 3.81 0.00 1.92 1.97 0.00 3.33 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 59 R 8.06 3.95 0.00 2.00 1.94 0.00 3.07 0.00 0.00 3.38 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 60 E 8.05 3.97 0.00 2.13 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 2.32 2.42 0.00 61 R 7.46 4.13 0.00 1.88 1.90 0.00 3.14 0.00 0.00 3.17 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.70 0.00 62 I 7.50 3.71 1.85 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 1.46 0.95 0.94 0.00 0.00 63 L 7.66 3.95 0.00 1.68 1.64 0.90 0.86 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 64 S 7.77 4.06 0.00 4.13 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 65 N 7.95 4.46 0.00 2.87 2.84 0.00 0.00 6.94 7.43 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 66 A 8.05 4.03 1.43 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 0.00 0.00 67 I 7.89 3.70 2.06 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 1.53 1.59 0.91 0.00 0.00 68 N 8.06 4.55 0.00 2.69 2.87 0.00 0.00 6.98 7.99 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 69 L 7.13 4.61 0.00 1.71 1.62 0.92 0.87 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 70 G 8.86 4.07 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 0.00 0.00 0.00 71 V 8.00 4.41 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 0.88 0.00 0.00 0.96 0.00 0.00 72 S 8.19 4.27 0.00 4.04 4.16 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 73 D 7.98 4.92 0.00 2.80 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 74 R 7.78 4.74 0.00 1.77 2.10 0.00 3.08 0.00 0.00 3.28 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 75 I 7.91 4.96 1.88 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 1.23 1.02 0.94 0.00 0.00 76 A 8.47 4.64 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 85 F 7.50 4.36 0.00 3.12 3.09 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 86 D 8.43 4.62 0.00 2.84 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 D 7.60 4.77 0.00 2.74 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 88 V 7.86 4.32 2.24 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 0.99 0.00 0.00 0.92 0.00 0.00 89 P 0.00 4.47 0.00 2.13 2.13 0.00 3.81 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 90 D 7.89 4.78 0.00 2.74 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 91 N 8.48 4.20 0.00 2.56 2.48 0.00 0.00 7.02 8.02 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 92 P 0.00 4.00 0.00 1.36 0.49 0.00 3.01 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.44 0.00 93 D 9.04 4.55 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.93 0.00 0.00 128 E 8.20 3.93 0.00 1.94 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 0.00 2.32 2.48 0.00 129 S 7.83 4.22 0.00 3.97 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 E 8.02 3.98 0.00 1.87 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 0.00 2.45 2.02 0.00 131 Q 8.45 4.48 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.15 0.00 0.00 0.00 0.00 0.00 2.40 2.64 0.00 *133 L 7.95 3.73 0.00 1.20 1.02 0.75 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 134 W 7.26 4.14 0.00 3.34 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 0.00 135 A 7.51 4.21 1.16 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 0.00 136 L 7.17 3.66 0.00 0.58 1.34 0.01 0.40 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 0.00 137 R 7.09 3.95 0.00 1.39 1.91 0.00 2.88 0.00 0.00 3.47 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.43 0.00 138 K 7.39 4.19 0.00 1.84 1.78 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.22 0.00 0.00 3.38 0.00 0.00 0.00 0.00 1.73 1.59 7.81 139 Q 7.56 3.92 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 7.04 0.00 0.00 0.00 0.00 0.00 1.94 2.09 0.00 140 F 7.84 4.95 0.00 3.37 3.37 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 0.00 141 G 7.78 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.99 4.16 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 0.00 143 T 8.15 4.90 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 1.27 0.00 0.00 144 I 8.71 5.05 1.11 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.08 0.44 0.00 0.00 145 S 8.50 4.93 0.00 3.70 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 0.00 146 S 7.73 4.32 0.00 3.42 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 0.00 147 F 8.76 5.02 0.00 3.08 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 0.00 148 A 8.90 4.89 1.23 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 0.00 149 I 8.41 4.49 1.90 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 1.33 0.80 0.84 0.00 0.00 150 S 8.45 5.46 0.00 3.71 3.80 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 0.00 151 H 8.47 5.28 0.00 3.02 3.15 0.00 5.71 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 E 8.94 4.33 0.00 2.01 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 0.00 2.32 2.36 0.00 153 H 9.41 4.51 0.00 3.22 3.18 0.00 5.59 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 T 8.25 4.46 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 1.27 0.00 0.00 155 V 7.75 3.97 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 0.84 0.00 0.00 1.07 0.00 0.00 156 G 8.14 4.07 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 0.00 0.00 0.00 157 S 8.50 4.17 0.00 3.30 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 0.00 158 F 7.59 4.76 0.00 3.09 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 0.00 159 I 8.55 4.30 1.93 0.00 0.00 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 1.50 0.49 0.99 0.00 0.00 160 T 8.35 4.50 4.26 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 1.25 0.00 0.00 *162 K 8.74 4.38 0.00 1.95 1.88 0.00 1.81 0.00 0.00 1.98 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.43 7.81 163 P 0.00 4.86 0.00 2.13 2.05 0.00 3.42 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.83 0.00 164 A 8.58 4.62 1.33 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 0.00 0.00 0.00 165 L 8.39 4.03 0.00 1.70 1.67 0.96 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 166 P 0.00 5.36 0.00 1.99 2.02 0.00 3.76 0.00 0.00 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 167 V 8.11 4.71 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 1.20 0.00 0.00 1.10 0.00 0.00 168 H 9.60 5.20 0.00 3.07 3.07 0.00 5.81 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 Q 8.55 5.12 0.00 2.44 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.78 0.00 0.00 0.00 0.00 0.00 2.43 2.84 0.00 170 W 9.25 5.25 0.00 3.24 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 T 8.33 5.00 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 1.22 0.00 0.00 172 V 8.03 4.42 1.21 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 -0.09 0.00 0.00 0.96 0.00 0.00 173 V 8.04 4.81 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 0.80 0.00 0.00 0.92 0.00 0.00 174 K 9.63 4.38 0.00 1.62 1.67 0.00 0.61 0.00 0.00 1.21 0.00 0.00 2.39 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.39 7.81 * Residues marked with a * may have inaccurate shift predictions.