NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 S 4.5342 8.1776 115.2934 58.5122 64.7029 175.8167 13 S 4.0924 7.8804 115.2374 60.5216 62.7931 171.1751 14 V 3.6918 8.5535 122.7156 65.7672 31.7778 178.9391 15 E 4.0088 8.0697 117.8449 59.5163 29.3702 179.3314 16 R 3.9319 8.4583 118.4829 59.4756 30.1409 178.5465 17 Y 3.9817 8.6400 119.5956 60.7338 38.8277 178.0487 18 I 3.6001 8.1698 121.1690 64.1231 37.0943 178.4834 19 V 3.4646 8.1378 119.4680 66.1441 31.3564 177.9161 20 S 4.0416 7.9783 114.8642 62.0504 62.8451 177.2898 21 R 3.7649 7.5011 120.2246 59.0668 29.6562 179.2048 22 L 3.7643 7.8194 118.8969 57.5507 41.4898 179.7344 23 R 4.1560 8.2972 118.4817 59.5173 29.8341 178.8290 24 D 4.4313 8.0557 117.3914 56.8187 40.7315 177.8614 25 K 4.5713 7.6562 116.9928 56.1342 32.4652 177.5175 26 G 3.8673 8.0981 106.5157 45.6405 0.0000 174.2259 27 F 4.5814 8.5992 117.9092 56.6153 40.6402 175.0201 28 A 4.7005 9.4065 123.5124 50.6431 20.4107 176.3838 29 V 5.0432 8.4191 122.0873 61.3781 35.0240 174.5117 30 I 4.7360 8.6742 119.1049 59.7161 41.3744 174.4779 31 R 5.0262 8.5021 121.0370 55.0148 31.7838 175.8460 32 A 3.6153 8.3737 126.1140 52.2666 17.8691 177.6751 *38 K 4.3432 8.4156 116.4071 56.8079 34.2326 177.2740 39 R 4.4575 7.5755 114.2185 54.7103 30.1982 177.3115 40 K 3.8465 8.2715 121.7428 60.2718 31.9914 178.2115 41 D 4.4984 8.1200 115.7805 56.8262 41.1264 176.7637 42 H 4.8654 8.5220 115.7141 55.2126 29.0761 173.7713 43 V 3.7618 7.4444 113.6188 58.3105 33.3127 174.1145 44 P 4.3374 0.0000 0.0000 63.1403 31.6654 176.2249 45 D 4.5565 8.5805 121.0994 56.7954 42.0706 176.5464 46 I 4.8647 8.2717 118.7637 59.3864 41.5599 174.7728 47 I 4.9659 8.5821 126.2222 59.4870 40.3285 174.2388 48 A 5.2776 9.2079 129.3945 50.0334 21.7334 174.6260 49 L 5.3407 9.1612 122.6639 53.0839 45.5769 176.0069 50 K 4.1578 8.9967 121.6091 56.1271 36.0346 175.6600 51 S 3.6774 9.8161 124.7039 59.6012 60.4100 173.5739 52 G 3.9237 8.4584 107.4948 45.2372 0.0000 174.0674 53 V 4.2146 7.6538 120.3257 61.3043 33.0735 174.1371 54 I 4.9218 8.2890 127.3252 59.5465 39.5196 174.3154 55 I 5.1902 9.0259 121.0618 59.1372 40.4104 174.2601 56 L 5.2022 9.4307 127.0181 53.0752 44.2724 175.5943 57 I 5.1762 8.9126 123.6587 59.6483 41.4135 173.6504 58 E 4.7978 9.2285 128.2720 54.5098 31.5567 174.4135 59 V 4.9316 9.0240 127.5862 61.2005 33.3192 174.9094 60 K 4.7522 9.0587 126.5772 54.5641 36.2824 174.9996 61 S 5.0232 8.6780 117.4585 56.7545 64.1768 173.3161 62 R 4.6904 8.5449 126.2647 53.6882 33.5975 176.5790 63 K 5.1013 8.4016 123.8792 55.2946 33.8804 175.4889 64 N 4.4989 7.8015 121.4957 53.1160 42.8609 175.1789 65 G 4.0716 8.4475 115.4266 44.4039 0.0000 171.9181 *67 K 4.0312 8.2513 118.0171 56.0564 33.3381 175.4673 68 I 4.3598 8.7043 125.0394 60.0834 38.8973 174.1873 69 Y 5.1841 8.6334 124.4376 56.1763 40.3029 174.9143 70 I 4.6476 9.2434 123.9860 58.6874 41.3634 174.3892 71 E 4.2084 9.0711 129.9005 56.3540 30.1547 176.4991 72 K 4.1701 9.0670 127.3012 60.5498 32.1005 178.4865 73 E 4.0115 8.6003 117.7853 59.4403 29.4837 179.1414 74 Q 3.9330 8.9614 119.9398 58.9794 29.0408 178.0613 75 A 4.1161 8.4734 122.2814 55.2771 18.4507 179.5407 76 E 4.0330 8.6692 117.5851 59.0962 29.4541 179.8184 77 G 3.3230 7.9294 106.2851 47.7700 0.0000 175.9707 78 I 3.9406 7.5652 117.7036 62.5678 37.3918 178.2056 79 R 3.7230 7.6206 120.7104 59.1931 29.8374 178.0258 80 E 3.9712 8.1467 119.3240 59.0421 29.5636 178.5504 81 F 3.9752 8.3674 120.8092 60.9972 39.4444 177.0695 82 A 4.0951 8.1087 120.7135 54.9898 17.9536 179.5788 83 K 3.9181 7.9824 117.2595 59.4731 32.3353 179.0626 84 R 3.9973 7.8554 117.7476 59.4047 30.1561 179.0955 85 S 4.1751 7.8252 112.5682 59.3081 62.9356 175.2839 86 G 3.8470 7.9477 109.2577 45.7577 0.0000 173.3170 87 G 4.1608 7.8527 106.1006 44.6672 0.0000 174.0229 88 E 4.3771 9.0102 121.6637 55.7925 30.8412 175.5836 89 L 5.0814 8.4262 127.0405 53.7901 44.1565 175.0750 90 F 5.5022 9.8032 124.2300 55.6535 43.5757 173.6533 91 L 5.1901 9.3331 124.2294 53.7037 43.8485 175.1931 92 G 4.1938 9.5411 114.9626 44.5348 0.0000 172.0284 93 V 4.7264 8.8969 126.8392 60.8770 34.4356 174.3005 94 K 4.7304 8.8305 129.8636 54.8902 33.0502 175.8887 95 L 4.8899 9.0897 128.4662 52.2064 43.0069 176.6024 96 P 4.1938 0.0000 0.0000 65.7079 31.0523 177.9290 97 K 4.5391 7.7862 112.7497 55.8664 32.8227 175.4288 98 M 4.6405 7.6019 115.7655 54.0281 34.0028 172.9279 99 L 5.0209 8.3140 121.8126 53.4750 44.2981 175.5699 100 R 4.9481 8.8774 124.2461 54.5104 35.1815 174.1682 101 F 5.5599 8.9884 118.7008 55.9894 43.2773 174.1037 102 I 5.0776 8.8609 115.7393 58.5741 41.7227 174.9310 103 K 3.8905 8.4541 122.2574 55.9888 32.6697 178.3162 104 F 3.9079 8.7115 125.7732 61.1395 39.4038 176.6263 105 D 4.5741 7.9531 118.4993 56.5001 40.6945 176.9554 106 M 4.1564 7.9573 118.6285 56.9068 32.3045 176.4144 107 L 4.2638 7.4170 119.8205 54.6056 42.3079 176.7361 108 R 4.6831 8.6129 123.4669 54.3368 32.4848 175.7120 109 Q 4.1117 8.6789 125.0266 56.1066 29.8149 176.1110 110 T 4.2756 9.1440 117.9535 60.7171 70.1582 175.3817 111 E 3.9184 8.9641 121.7535 59.6894 29.4238 179.5164 112 G 3.5923 7.4395 104.9439 47.0220 0.0000 173.7720 113 G 3.7556 7.4290 106.4871 45.4583 0.0000 173.6525 114 N 4.8108 7.9024 117.3861 52.4990 41.6400 173.1490 115 Y 5.0893 8.7797 115.5599 57.0481 41.9379 175.0313 116 A 5.3616 8.6881 122.3720 51.5869 23.5250 174.8776 117 I 4.8585 7.6677 118.1182 59.2490 41.5556 174.0354 118 D 4.6658 8.6236 128.4368 52.6812 40.2983 177.3170 119 L 4.0562 8.4484 122.5556 58.5540 40.2503 179.4237 120 E 3.9168 8.0733 119.5948 59.8234 29.2656 179.0458 121 T 3.8382 7.8547 114.0986 66.6529 68.7317 176.5184 122 V 3.6974 7.3801 118.7779 66.1026 31.3054 177.8798 123 E 3.9541 8.0876 117.2649 58.8684 29.3593 178.2858 124 K 4.4426 7.5317 116.3987 57.3268 32.6954 177.2666 125 G 4.0615 8.1785 106.3159 46.7952 0.0000 173.0045 126 M 4.7517 8.5197 116.8351 54.2120 34.0153 175.7708 127 E 4.7323 9.4554 120.4578 55.1582 32.0868 177.1521 128 L 3.6277 8.9947 121.3329 58.8316 41.8873 178.4662 129 E 4.1186 8.2780 118.2419 59.4084 29.3561 178.3681 130 D 4.4089 7.9262 118.5559 56.8550 41.0034 178.1118 131 L 3.7826 8.0930 121.3681 58.0294 41.9304 179.2178 132 V 3.5812 8.1174 118.3275 66.2073 31.5219 178.0337 133 R 3.9525 8.0932 117.7537 59.4704 29.6726 178.3945 134 Y 4.0437 8.1237 118.4037 60.7506 39.2617 177.9290 135 V 3.6617 8.2496 119.4824 66.1344 31.6417 177.7162 136 E 3.9467 8.6124 118.9233 59.4692 29.2994 179.5210 137 S 4.1519 8.0561 113.9093 60.8990 63.0856 176.4903 138 K 3.9747 7.5957 122.0324 58.7183 31.6649 179.3915 139 I 3.6579 7.3839 119.9369 64.4706 37.1946 178.2375 140 S 4.0869 8.0430 115.9898 61.5647 62.4091 176.6046 141 R 3.8613 7.6706 120.2627 59.9193 29.8436 177.7162 142 T 3.9828 7.4181 113.4473 66.3930 68.5224 175.2310 143 L 4.2859 7.3658 118.7544 55.3871 42.2331 176.6568 144 D 4.6347 7.5912 118.5291 54.0936 41.7975 175.0778 145 S 4.8514 8.1412 116.3081 56.8521 66.7145 174.5054 146 F 4.8088 8.3945 118.7459 55.0755 37.5929 175.6098 147 L 4.0537 9.2902 121.0089 55.6417 42.8805 174.3036 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 12 S 8.18 4.53 0.00 3.88 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 13 S 7.88 4.09 0.00 4.19 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 14 V 8.55 3.69 2.11 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 1.19 0.00 0.00 0.93 0.00 0.00 15 E 8.07 4.01 0.00 2.26 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 2.42 2.44 0.00 16 R 8.46 3.93 0.00 2.11 2.02 0.00 3.15 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 17 Y 8.64 3.98 0.00 3.12 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.17 3.60 2.07 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.18 0.85 0.00 0.00 19 V 8.14 3.46 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 1.08 0.00 0.00 0.97 0.00 0.00 20 S 7.98 4.04 0.00 3.82 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 21 R 7.50 3.76 0.00 1.69 1.79 0.00 3.03 0.00 0.00 2.90 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 1.40 0.00 22 L 7.82 3.76 0.00 1.64 1.27 0.56 -0.28 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 23 R 8.30 4.16 0.00 2.01 1.98 0.00 3.12 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 1.67 1.68 0.00 24 D 8.06 4.43 0.00 2.76 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 25 K 7.66 4.57 0.00 1.95 1.98 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.18 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.60 1.61 7.81 26 G 8.10 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 0.00 0.00 0.00 27 F 8.60 4.58 0.00 2.83 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.41 4.70 1.25 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 0.00 0.00 0.00 29 V 8.42 5.04 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 0.90 0.00 0.00 0.97 0.00 0.00 30 I 8.67 4.74 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.86 0.93 0.00 0.00 31 R 8.50 5.03 0.00 1.79 1.84 0.00 3.39 0.00 0.00 3.89 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 32 A 8.37 3.62 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 *38 K 8.42 4.34 0.00 1.90 1.99 0.00 1.56 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.44 7.81 39 R 7.58 4.46 0.00 2.00 2.16 0.00 3.06 0.00 0.00 3.33 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 40 K 8.27 3.85 0.00 1.79 1.88 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.52 1.50 7.81 41 D 8.12 4.50 0.00 2.71 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 42 H 8.52 4.87 0.00 3.18 3.27 0.00 5.59 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.44 3.76 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 0.73 0.00 0.00 0.89 0.00 0.00 44 P 0.00 4.34 0.00 1.81 1.86 0.00 2.43 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 45 D 8.58 4.56 0.00 2.73 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 46 I 8.27 4.86 1.87 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 1.22 0.83 0.86 0.00 0.00 47 I 8.58 4.97 1.91 0.00 0.00 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 1.19 0.77 1.00 0.00 0.00 48 A 9.21 5.28 1.12 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 0.00 0.00 49 L 9.16 5.34 0.00 1.56 1.57 0.96 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.00 4.16 0.00 0.79 0.88 0.00 0.61 0.00 0.00 0.74 0.00 0.00 2.59 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.93 0.97 7.81 51 S 9.82 3.68 0.00 3.91 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 52 G 8.46 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 53 V 7.65 4.21 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 1.04 0.00 0.00 0.91 0.00 0.00 54 I 8.29 4.92 1.94 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 1.45 0.62 1.00 0.00 0.00 55 I 9.03 5.19 1.94 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.17 1.12 0.00 0.00 56 L 9.43 5.20 0.00 1.61 1.60 1.10 0.71 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 57 I 8.91 5.18 1.92 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.74 1.16 0.00 0.00 58 E 9.23 4.80 0.00 2.10 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 2.34 2.38 0.00 59 V 9.02 4.93 2.12 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 0.84 0.00 0.00 1.02 0.00 0.00 60 K 9.06 4.75 0.00 1.75 1.64 0.00 1.61 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.41 7.81 61 S 8.68 5.02 0.00 3.84 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 8.54 4.69 0.00 1.65 1.75 0.00 3.29 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.70 0.00 63 K 8.40 5.10 0.00 1.69 1.75 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.31 1.34 7.81 64 N 7.80 4.50 0.00 2.67 2.44 0.00 0.00 6.94 7.65 0.00 0.00 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 G 8.45 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 *67 K 8.25 4.03 0.00 1.70 1.21 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.37 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.14 1.38 7.81 68 I 8.70 4.36 1.75 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 1.18 0.89 0.88 0.00 0.00 69 Y 8.63 5.18 0.00 2.86 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 70 I 9.24 4.65 1.91 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.83 1.01 0.00 0.00 71 E 9.07 4.21 0.00 2.07 1.90 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 2.43 2.30 0.00 72 K 9.07 4.17 0.00 2.03 1.90 0.00 1.79 0.00 0.00 1.86 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.65 1.80 7.81 73 E 8.60 4.01 0.00 2.47 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 2.46 2.43 0.00 74 Q 8.96 3.93 0.00 2.17 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.43 2.60 0.00 75 A 8.47 4.12 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 76 E 8.67 4.03 0.00 2.04 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 2.66 0.00 77 G 7.93 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 0.00 0.00 0.00 78 I 7.57 3.94 1.57 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.54 0.83 0.00 0.00 79 R 7.62 3.72 0.00 1.94 2.03 0.00 3.01 0.00 0.00 3.06 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 80 E 8.15 3.97 0.00 2.27 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 2.32 2.36 0.00 81 F 8.37 3.98 0.00 3.16 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 82 A 8.11 4.10 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 83 K 7.98 3.92 0.00 1.76 1.96 0.00 1.95 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.46 7.81 84 R 7.86 4.00 0.00 1.73 1.79 0.00 3.34 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.68 0.00 85 S 7.83 4.18 0.00 3.98 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 86 G 7.95 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 G 7.85 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 88 E 9.01 4.38 0.00 2.24 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 2.40 2.41 0.00 89 L 8.43 5.08 0.00 1.68 1.40 0.82 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 90 F 9.80 5.50 0.00 3.05 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 91 L 9.33 5.19 0.00 1.79 1.56 0.99 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 92 G 9.54 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 93 V 8.90 4.73 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 0.81 0.00 0.00 0.85 0.00 0.00 94 K 8.83 4.73 0.00 1.83 1.64 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.86 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.31 1.39 7.81 95 L 9.09 4.89 0.00 1.76 1.54 0.88 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 96 P 0.00 4.19 0.00 2.01 2.13 0.00 3.60 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.13 0.00 97 K 7.79 4.54 0.00 1.69 1.77 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.36 7.81 98 M 7.60 4.64 0.00 2.07 2.08 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 2.44 2.43 0.00 99 L 8.31 5.02 0.00 1.56 1.56 0.74 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 100 R 8.88 4.95 0.00 1.53 1.73 0.00 3.47 0.00 0.00 3.31 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.77 0.00 101 F 8.99 5.56 0.00 2.95 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 0.00 102 I 8.86 5.08 1.87 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.32 0.92 0.00 0.00 103 K 8.45 3.89 0.00 1.71 1.58 0.00 1.57 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.00 1.18 7.81 104 F 8.71 3.91 0.00 3.12 3.01 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 0.00 105 D 7.95 4.57 0.00 2.65 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 0.00 106 M 7.96 4.16 0.00 1.91 2.10 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 2.59 2.66 0.00 107 L 7.42 4.26 0.00 1.31 1.55 -0.33 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 108 R 8.61 4.68 0.00 1.80 1.82 0.00 3.28 0.00 0.00 3.06 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 109 Q 8.68 4.11 0.00 1.88 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.06 0.00 0.00 0.00 0.00 0.00 2.08 1.86 0.00 110 T 9.14 4.28 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 1.36 0.00 0.00 111 E 8.96 3.92 0.00 1.94 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 0.00 2.32 2.38 0.00 112 G 7.44 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 G 7.43 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 0.00 0.00 0.00 114 N 7.90 4.81 0.00 2.82 3.12 0.00 0.00 6.91 7.48 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 0.00 115 Y 8.78 5.09 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 0.00 116 A 8.69 5.36 0.64 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 0.00 0.00 117 I 7.67 4.86 1.74 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 1.31 1.08 0.78 0.00 0.00 118 D 8.62 4.67 0.00 3.26 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 0.00 119 L 8.45 4.06 0.00 1.89 1.93 0.96 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 120 E 8.07 3.92 0.00 2.38 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 121 T 7.85 3.84 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 1.18 0.00 0.00 122 V 7.38 3.70 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 1.05 0.00 0.00 0.86 0.00 0.00 123 E 8.09 3.95 0.00 2.11 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 2.32 2.60 0.00 124 K 7.53 4.44 0.00 1.75 1.91 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.44 7.81 125 G 8.18 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 M 8.52 4.75 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.88 0.00 127 E 9.46 4.73 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 128 L 8.99 3.63 0.00 1.92 1.74 0.51 0.80 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 0.00 129 E 8.28 4.12 0.00 2.14 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 2.40 2.49 0.00 130 D 7.93 4.41 0.00 2.96 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 L 8.09 3.78 0.00 1.23 1.39 -0.12 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 132 V 8.12 3.58 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 1.12 0.00 0.00 0.88 0.00 0.00 133 R 8.09 3.95 0.00 2.09 2.02 0.00 3.22 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 134 Y 8.12 4.04 0.00 3.03 3.31 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 0.00 135 V 8.25 3.66 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 1.09 0.00 0.00 136 E 8.61 3.95 0.00 2.17 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 2.51 2.47 0.00 137 S 8.06 4.15 0.00 4.01 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 0.00 138 K 7.60 3.97 0.00 1.85 1.79 0.00 1.78 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.21 0.84 7.81 139 I 7.38 3.66 2.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.48 0.84 0.00 0.00 140 S 8.04 4.09 0.00 3.99 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 0.00 141 R 7.67 3.86 0.00 1.89 2.16 0.00 3.26 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 142 T 7.42 3.98 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 1.20 0.00 0.00 143 L 7.37 4.29 0.00 1.57 1.69 0.89 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 144 D 7.59 4.63 0.00 2.86 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 8.14 4.85 0.00 3.87 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 F 8.39 4.81 0.00 3.16 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 0.00 147 L 9.29 4.05 0.00 1.45 1.47 0.99 0.69 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 * Residues marked with a * may have inaccurate shift predictions.