NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.1163 8.0549 120.4111 62.9648 31.5594 174.7826 3 R 4.4306 8.1955 126.2688 53.3055 32.1403 174.7106 4 Y 2.3900 8.7599 121.4062 56.6971 39.8592 175.0307 5 P 3.9430 0.0000 0.0000 64.6896 31.8004 176.9700 6 L 4.2701 5.6200 116.8864 54.1031 42.2368 177.7548 7 E 4.0173 7.5664 122.4200 59.3794 29.4099 176.9420 8 P 4.2123 0.0000 0.0000 65.4025 31.3301 178.8428 9 V 3.5448 7.5969 116.7461 65.7305 31.5308 177.6059 10 L 3.9512 7.9839 120.1106 58.1993 41.9466 178.5762 11 S 4.0836 8.3326 113.3868 61.7812 62.2729 176.2626 12 I 3.7052 7.6493 121.9935 64.5029 36.9325 178.6678 13 K 4.0835 8.2121 119.2088 59.0271 31.8400 179.6916 14 K 3.9741 8.2901 119.1840 59.6305 31.9226 178.9911 15 D 4.4010 8.0818 119.1111 57.5536 40.6820 179.2308 16 R 3.9228 8.1057 118.5992 58.9121 29.9523 179.2051 17 V 3.5345 7.7219 117.9313 66.0736 31.5663 177.4681 18 D 4.3946 8.0758 118.5613 57.8262 40.6965 179.3518 19 R 3.9116 8.2915 118.1511 59.3257 30.0026 179.0974 20 A 4.0112 8.0906 120.5366 54.8717 18.3332 179.5535 21 E 3.8812 8.4118 117.4838 59.5317 29.6039 179.4507 22 K 3.9315 8.0061 119.6209 59.4299 32.2003 179.0084 23 V 3.5740 7.9476 118.6994 65.8635 31.3930 177.9853 24 V 3.5635 7.9387 118.1566 66.1012 31.4625 177.9200 25 K 3.9331 8.0144 119.1723 59.4286 31.9100 178.4208 26 E 3.9545 8.2465 119.6744 59.1927 29.5837 178.9084 27 K 3.9630 8.5268 119.0277 59.2973 31.9603 179.3033 28 R 3.9148 8.3238 118.8700 59.4987 30.0262 179.0157 29 R 3.8793 7.8449 117.7072 59.4459 30.1527 178.5412 30 L 3.9849 8.2812 119.2069 57.6284 41.5636 179.2690 31 L 3.9732 8.1272 120.4613 57.9405 41.9552 178.5741 32 E 3.9130 8.4293 119.6616 59.1789 29.5287 178.4922 33 L 3.9693 8.0294 119.1002 58.1886 41.7609 179.5662 34 E 3.9575 8.0223 117.5735 59.4720 29.4071 179.3165 35 Q 4.0156 8.5036 118.5470 59.0591 28.7831 178.7185 36 E 3.9502 8.5677 120.5656 59.2818 29.6705 179.0781 37 K 4.0222 8.2399 118.7143 59.1306 31.9774 179.0481 38 L 3.9486 8.4084 121.1873 58.2859 42.0243 179.2890 39 R 3.9119 8.1060 117.9019 59.2401 29.9176 178.8707 40 E 3.9722 8.2115 118.3349 59.4905 29.4132 179.5587 41 R 3.9105 8.0871 117.9897 59.5230 30.0956 179.0970 42 E 3.9652 8.4833 118.3669 59.0713 29.3701 179.5097 43 S 4.0599 8.0802 113.4871 61.5021 62.4226 176.0481 44 E 3.9979 8.3702 121.4717 59.2825 29.1250 179.3926 45 R 3.8936 8.2634 119.0262 59.5728 30.1179 178.3309 46 D 4.4825 8.4188 119.2065 57.1194 40.7502 178.9273 47 K 4.0098 8.2011 119.5373 59.9202 32.5787 179.5193 48 V 3.6099 7.6045 119.6487 65.6073 31.2547 177.8804 49 K 4.0281 8.3036 118.6957 59.7066 32.0746 178.2206 50 N 4.5408 8.4284 116.3745 56.4727 38.7829 176.5561 51 H 4.4284 8.5128 119.8177 59.2432 29.7652 176.3887 52 Y 4.2290 7.8482 118.6720 58.4705 38.3103 177.0678 *54 Q 4.2344 7.9775 118.8467 55.5408 31.0817 177.7277 55 K 4.0674 8.0434 117.1109 59.5556 31.9273 179.4812 56 I 3.5972 7.7548 120.1365 64.4926 36.9264 178.8141 57 R 3.9179 7.8174 118.3712 59.1733 30.0209 178.9859 58 Q 4.2383 8.2118 119.4899 58.3239 28.6203 178.5431 59 L 3.9537 8.0399 121.4203 58.0761 42.1317 178.8602 60 R 3.8570 8.3109 119.0840 59.5730 29.5245 178.3253 61 E 3.9754 8.4198 118.4462 59.5172 29.2020 179.4132 62 Q 4.0219 7.6777 116.7454 58.7998 29.0786 178.3334 63 L 4.1388 8.2356 120.3834 58.0146 41.4596 179.3610 64 D 4.3739 8.0119 117.5908 57.4820 40.8474 178.3563 65 D 4.5270 8.0911 118.1883 54.3569 40.9997 175.8058 66 G 3.9880 8.3644 110.3849 46.2271 0.0000 172.6124 67 T 4.4425 7.9354 119.3779 60.4215 69.6916 172.8127 68 T 4.7587 8.1215 108.3112 59.2794 73.4257 174.2853 69 S 4.0858 8.6055 115.9664 61.8215 62.3003 176.2664 70 D 4.3398 8.0828 120.7481 57.4095 40.4361 178.5154 71 A 4.0245 7.6511 119.8138 54.9411 18.3963 179.5017 72 I 3.8151 7.5030 117.6265 64.5542 37.5453 178.2352 73 L 4.1806 7.9558 119.7412 57.5718 41.2844 180.2152 74 K 3.8285 8.0055 116.2041 57.2217 31.8303 178.3490 *76 K 4.2460 8.0897 119.0927 55.9319 34.2388 178.1515 77 A 3.9399 8.0400 120.6248 55.3021 18.1937 179.2673 78 Y 4.2443 7.6491 115.1074 61.3562 37.8670 178.7886 79 I 3.8571 7.9727 120.2025 64.5521 37.1139 178.3266 80 K 3.9892 8.3691 119.2849 59.4657 31.9433 179.4809 81 V 3.6236 7.6644 118.5783 66.1189 31.4099 178.3462 82 V 3.6015 7.9730 117.7759 65.7951 31.3786 177.6277 83 A 3.1388 8.2118 120.8119 55.1495 18.1449 179.7640 84 I 3.7448 7.3727 119.5160 63.8814 37.1985 178.5432 85 Q 3.9728 7.9199 118.7764 58.7863 28.4565 178.7388 86 L 3.8448 8.0380 121.7835 58.2378 41.6685 179.1170 87 S 4.0593 7.9851 114.0759 61.6838 62.6638 176.3854 88 E 4.0243 8.1573 122.0361 59.1129 29.1217 179.1218 89 E 3.9713 8.2438 118.7775 59.4106 29.4856 179.1055 90 E 3.9383 8.3881 118.8329 59.2417 29.3852 179.0184 91 E 3.8876 8.2101 119.2766 59.3459 29.8569 178.8350 92 K 3.8549 7.9872 118.4606 59.6178 32.1113 179.3909 93 V 3.5797 7.9829 118.2793 66.1919 31.2694 177.9114 94 N 4.3666 8.1249 114.9957 56.0143 38.6122 177.1737 95 K 4.3264 8.3032 121.6975 59.0853 32.1746 179.1286 96 Q 3.9840 8.0030 119.3009 59.0030 28.8653 178.1004 97 K 3.8676 8.2074 119.6719 59.7559 32.0205 179.0099 98 E 3.9762 8.1169 118.6205 59.3558 29.3357 179.1103 99 N 4.4251 8.0948 116.1440 56.2235 38.5935 177.4165 100 V 3.5540 7.9797 119.7226 65.8655 31.5629 177.7999 101 L 3.8997 8.1200 119.9070 58.1447 41.8938 178.7182 102 A 3.9605 8.0306 120.4826 55.2494 18.2603 179.5266 103 A 3.9696 8.0817 119.2770 55.0281 18.3862 179.8488 104 S 4.0031 8.3087 111.9838 61.5577 62.4467 176.5122 105 K 3.9503 8.3082 121.4417 59.5548 31.8051 178.9693 106 E 3.9341 8.5333 119.2001 59.3898 29.3788 179.2217 107 L 3.9362 8.1144 120.1953 58.2538 42.1974 178.7874 108 E 3.9657 8.1519 118.4213 59.6463 29.4018 179.6696 109 R 3.9298 8.3316 117.9952 59.2010 30.0332 179.0158 110 A 4.0087 8.0949 120.6019 55.1816 18.3466 179.6044 111 E 3.8978 8.2834 117.2430 59.3122 29.5338 179.5115 112 V 3.5832 7.8399 118.3778 66.2062 31.5288 177.9822 113 E 3.9692 8.3311 118.1814 59.2456 29.3267 178.9725 114 L 3.9418 8.1575 120.5647 58.5851 42.0811 179.2425 115 T 3.8758 7.9509 115.5496 66.4966 68.3712 176.7307 116 K 3.9368 8.1034 120.3757 59.6748 32.0572 179.5549 117 R 4.1068 8.1589 118.2381 59.3733 29.9124 179.4249 118 R 3.9310 7.9940 117.8439 58.7590 30.0042 178.7448 119 K 3.8604 8.1827 119.5785 59.6820 32.2002 178.6215 120 E 3.9271 8.2365 118.5830 59.4178 29.3886 178.9389 121 E 3.9116 8.3252 119.4015 59.3697 29.5955 178.5317 122 E 3.9455 8.3782 119.3902 58.8562 29.7015 178.4457 123 K 3.7492 8.2701 120.0892 60.0191 32.2375 178.8662 124 T 3.8927 7.8312 115.7562 66.5035 68.3379 176.6118 125 R 3.8188 8.3663 121.1128 59.4068 30.0622 178.2980 126 L 3.9410 8.1144 120.2608 58.5776 41.9797 178.7286 127 H 4.3924 8.0688 116.0775 58.4591 28.3664 177.7232 128 K 2.6729 7.6918 121.0464 58.8619 31.9673 178.1184 129 E 4.0669 7.9296 118.5382 59.5561 30.0360 178.4827 130 E 4.2052 8.4418 118.5374 58.6741 29.4542 179.1398 131 W 4.2096 8.3793 125.3603 58.1205 30.3989 177.2601 *133 K 4.0692 7.9272 119.5418 56.0722 33.4098 177.6615 134 E 3.8545 7.8359 117.5630 59.1165 29.1274 179.1946 135 A 3.6078 7.7998 121.0129 54.9791 18.3395 179.5770 136 L 3.8071 7.4853 116.8350 57.9950 41.6685 179.8528 137 K 3.9423 8.0194 118.2955 59.2120 31.8753 179.0804 138 E 3.8367 8.3301 119.8689 59.2938 29.5398 178.4185 139 E 3.8613 8.4050 119.4638 59.1858 29.5754 178.6139 140 A 3.9486 8.0165 120.7054 55.2851 18.3879 179.7676 141 R 3.8693 8.1687 116.7146 59.5262 30.1328 179.3596 142 Q 3.9756 8.2800 117.8617 58.9346 28.6303 178.6519 143 E 3.9501 8.4305 119.8615 59.3227 29.5090 178.9187 144 E 4.2348 8.4285 121.0055 58.6907 29.6916 178.7593 145 K 3.9184 8.2821 119.7745 59.6775 32.0063 178.6100 146 E 4.0151 8.1151 117.8490 59.2619 29.5662 178.7522 147 Q 4.1496 8.4428 118.6169 59.0688 28.7704 178.7902 148 D 4.4362 8.0845 119.6994 57.3695 40.8880 179.4745 149 E 4.2457 8.1757 116.3395 56.9072 29.1983 179.1248 *151 G 3.9082 8.0310 110.1711 45.8519 0.0000 175.9861 152 Q 4.0044 8.2312 119.4811 58.5531 28.6401 178.8344 153 L 4.2105 7.9211 121.2396 57.3142 41.6504 179.4417 154 L 3.9979 7.9621 118.3241 58.3287 41.5851 179.0615 155 H 4.3324 8.2779 117.9913 59.2501 29.4538 177.3371 156 Q 4.0516 8.7919 120.2045 58.6914 28.2151 178.7100 157 L 4.0741 7.6608 119.7044 57.9485 41.7113 178.7570 158 H 4.3989 7.8857 114.8850 58.1369 29.0765 177.7504 159 K 4.1329 7.9713 120.8562 59.2901 30.9354 178.7477 160 Q 4.1732 7.8245 115.9928 57.1387 28.4388 177.8029 161 K 4.2158 7.6538 118.9781 59.3563 32.0659 176.7743 162 Q 4.1668 7.4264 118.6355 56.6042 28.5468 173.8880 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 V 8.05 4.12 2.26 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 1.32 0.00 0.00 1.01 0.00 0.00 3 R 8.20 4.43 0.00 1.87 1.86 0.00 3.47 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 4 Y 8.76 2.39 0.00 2.49 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 5 P 0.00 3.94 0.00 1.59 1.83 0.00 2.41 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.85 0.00 6 L 5.62 4.27 0.00 0.77 1.38 0.89 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.57 4.02 0.00 2.20 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 2.31 2.42 0.00 8 P 0.00 4.21 0.00 2.12 2.04 0.00 3.41 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 9 V 7.60 3.54 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 1.04 0.00 0.00 0.88 0.00 0.00 10 L 7.98 3.95 0.00 1.95 1.90 0.98 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 11 S 8.33 4.08 0.00 4.05 3.96 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 12 I 7.65 3.71 2.01 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 1.51 0.61 0.91 0.00 0.00 13 K 8.21 4.08 0.00 1.95 1.86 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.66 7.81 14 K 8.29 3.97 0.00 1.98 1.86 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.62 7.81 15 D 8.08 4.40 0.00 2.90 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 16 R 8.11 3.92 0.00 2.02 1.97 0.00 3.13 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 17 V 7.72 3.53 2.22 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 1.10 0.00 0.00 0.96 0.00 0.00 18 D 8.08 4.39 0.00 3.01 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 19 R 8.29 3.91 0.00 1.96 1.98 0.00 3.12 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.90 0.00 20 A 8.09 4.01 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 21 E 8.41 3.88 0.00 2.21 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 2.33 2.41 0.00 22 K 8.01 3.93 0.00 1.84 1.99 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.45 7.81 23 V 7.95 3.57 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 0.95 0.00 0.00 0.99 0.00 0.00 24 V 7.94 3.56 2.22 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 1.07 0.00 0.00 1.00 0.00 0.00 25 K 8.01 3.93 0.00 1.88 2.03 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.45 7.81 26 E 8.25 3.95 0.00 2.20 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 2.30 2.39 0.00 27 K 8.53 3.96 0.00 1.88 1.84 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.71 1.63 7.81 28 R 8.32 3.91 0.00 2.03 1.99 0.00 3.18 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 29 R 7.84 3.88 0.00 2.04 2.04 0.00 3.09 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 30 L 8.28 3.98 0.00 1.71 1.70 0.92 0.56 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 31 L 8.13 3.97 0.00 1.76 1.93 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.43 3.91 0.00 2.19 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 2.31 2.40 0.00 33 L 8.03 3.97 0.00 1.98 1.72 0.97 0.79 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 34 E 8.02 3.96 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 2.52 2.64 0.00 35 Q 8.50 4.02 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.52 2.52 0.00 36 E 8.57 3.95 0.00 2.15 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 2.30 2.49 0.00 37 K 8.24 4.02 0.00 1.97 1.84 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.57 7.81 38 L 8.41 3.95 0.00 1.70 1.86 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.11 3.91 0.00 2.06 1.96 0.00 3.18 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 40 E 8.21 3.97 0.00 2.18 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 0.00 2.33 2.35 0.00 41 R 8.09 3.91 0.00 1.96 1.98 0.00 3.29 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.82 0.00 42 E 8.48 3.97 0.00 2.21 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 0.00 2.33 2.37 0.00 43 S 8.08 4.06 0.00 3.93 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 44 E 8.37 4.00 0.00 2.14 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 45 R 8.26 3.89 0.00 1.93 2.09 0.00 3.27 0.00 0.00 3.53 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.81 0.00 46 D 8.42 4.48 0.00 2.88 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 47 K 8.20 4.01 0.00 2.00 2.07 0.00 1.56 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.52 1.44 7.81 48 V 7.60 3.61 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 0.96 0.00 0.00 0.98 0.00 0.00 49 K 8.30 4.03 0.00 1.91 2.00 0.00 1.88 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.56 7.81 50 N 8.43 4.54 0.00 2.80 2.89 0.00 0.00 7.00 7.76 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 51 H 8.51 4.43 0.00 3.33 3.53 0.00 5.78 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Y 7.85 4.23 0.00 3.11 3.12 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 *54 Q 7.98 4.23 0.00 2.39 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.71 6.68 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 55 K 8.04 4.07 0.00 1.87 1.83 0.00 1.75 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.55 7.81 56 I 7.75 3.60 1.66 0.00 0.00 -0.01 0.00 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 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.01 3.83 0.00 1.80 1.80 0.00 1.71 0.00 0.00 1.78 0.00 0.00 3.30 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.36 7.81 *76 K 8.09 4.25 0.00 2.08 1.89 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.56 7.81 77 A 8.04 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 78 Y 7.65 4.24 0.00 2.97 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 79 I 7.97 3.86 2.07 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.71 1.00 0.00 0.00 80 K 8.37 3.99 0.00 1.94 1.89 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.51 7.81 81 V 7.66 3.62 2.35 0.00 0.00 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 1.00 0.00 0.00 82 V 7.97 3.60 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 1.79 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.42 7.81 134 E 7.84 3.85 0.00 2.18 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 2.29 2.44 0.00 135 A 7.80 3.61 0.37 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 0.00 136 L 7.49 3.81 0.00 1.71 1.65 0.87 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 137 K 8.02 3.94 0.00 1.97 1.81 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.49 7.81 138 E 8.33 3.84 0.00 2.07 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 0.00 2.28 2.33 0.00 139 E 8.40 3.86 0.00 2.05 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 2.28 2.43 0.00 140 A 8.02 3.95 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 0.00 141 R 8.17 3.87 0.00 1.99 1.98 0.00 3.11 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.84 0.00 142 Q 8.28 3.98 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.61 2.54 0.00 143 E 8.43 3.95 0.00 2.11 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 2.50 0.00 144 E 8.43 4.23 0.00 1.99 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 2.30 2.17 0.00 145 K 8.28 3.92 0.00 1.84 2.03 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.48 7.81 146 E 8.12 4.02 0.00 1.99 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 2.49 2.49 0.00 147 Q 8.44 4.15 0.00 2.23 2.16 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 2.38 2.51 0.00 148 D 8.08 4.44 0.00 2.94 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 0.00 149 E 8.18 4.25 0.00 2.13 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 0.00 2.33 2.55 0.00 *151 G 8.03 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 0.00 152 Q 8.23 4.00 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.75 0.00 0.00 0.00 0.00 0.00 2.51 2.56 0.00 153 L 7.92 4.21 0.00 1.71 1.72 0.92 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 154 L 7.96 4.00 0.00 1.88 1.80 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 155 H 8.28 4.33 0.00 3.36 3.33 0.00 5.78 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 0.00 156 Q 8.79 4.05 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 157 L 7.66 4.07 0.00 1.80 1.65 0.94 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 158 H 7.89 4.40 0.00 3.17 3.33 0.00 5.85 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 0.00 159 K 7.97 4.13 0.00 1.93 1.82 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.34 7.81 160 Q 7.82 4.17 0.00 2.27 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 161 K 7.65 4.22 0.00 1.94 1.87 0.00 1.84 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.76 7.81 162 Q 7.43 4.17 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.55 0.00 0.00 0.00 0.00 0.00 2.26 2.43 0.00 * Residues marked with a * may have inaccurate shift predictions.