NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6948 8.2048 119.7718 55.6337 33.5959 174.7413 2 Q 4.5564 8.7206 125.2499 53.3508 31.6169 175.3096 3 G 3.5937 8.4591 106.4111 47.7328 0.0000 175.8074 4 K 3.9462 7.8568 120.4645 59.7321 32.6372 179.0389 5 D 3.9621 7.5559 119.9633 57.1110 40.5755 178.5108 6 I 3.6121 7.2426 118.5995 63.8578 37.9960 177.8676 7 I 3.6067 7.4102 120.5212 64.1222 36.6481 178.3174 8 L 4.0485 7.6572 119.1675 57.5898 41.6413 179.3390 9 G 3.8084 8.0368 105.6310 48.0635 0.0000 175.7147 10 I 3.7558 7.7742 121.5506 63.6517 36.1896 177.6693 11 L 4.5492 7.8325 117.7728 55.0842 41.5432 178.7826 12 S 4.3961 7.6360 115.0870 60.9811 62.9543 175.7892 13 K 4.3676 7.8875 119.5182 56.1477 33.1693 176.5864 14 K 4.6877 6.8680 116.5199 54.5052 36.3476 175.5728 15 E 4.4600 8.5975 121.5948 56.7285 30.3310 176.5972 16 R 4.9055 8.9924 121.8000 54.2837 35.0451 175.0977 17 S 4.7031 8.8494 117.0511 58.0862 64.2645 175.2205 18 G 3.8587 9.2086 108.6794 48.4307 0.0000 175.5996 19 Y 4.4525 7.7212 118.3094 61.1104 37.8990 178.3705 20 E 4.0403 8.4829 120.0694 59.3091 29.7107 178.7384 21 I 3.6704 7.9853 119.9836 64.5251 37.1157 177.9289 22 N 4.2197 8.3917 117.8847 56.5747 38.6915 176.4085 23 D 4.3250 8.2452 119.4940 57.3301 41.3746 178.2513 24 I 3.7581 8.0160 120.4824 64.3958 36.9432 178.1987 25 L 3.8942 7.8952 119.8534 58.2607 42.0063 178.5646 26 Q 4.2458 8.1957 116.7480 57.6459 29.0330 176.9685 27 N 4.9775 8.3483 114.0502 52.8547 40.1122 175.4479 28 Q 4.6260 8.1035 117.5681 56.6150 31.5241 176.5373 29 L 4.3298 7.8483 117.4614 54.2544 41.5413 178.4571 30 S 4.6403 8.2183 114.7837 60.3500 63.1455 175.7124 31 Y 4.7949 8.4156 117.8243 58.1986 38.0656 175.9008 32 F 4.8127 7.2920 112.7414 56.2106 39.2680 174.6881 33 Y 4.2244 7.0882 123.3896 56.2276 39.3111 172.2922 34 D 4.7620 8.0674 124.9393 51.9954 42.5698 174.5327 35 G 4.1652 7.9677 120.3313 44.5698 0.0000 170.9238 36 T 4.0191 8.4435 115.4653 60.9210 69.0682 171.0529 *37 Y 4.1616 8.2916 125.2181 57.3202 37.3695 173.2174 38 G 4.0041 8.7761 105.4307 47.8842 0.0000 175.1727 39 M 4.1562 7.9940 120.5633 57.8235 32.4019 177.6612 40 I 3.3809 7.4303 118.1858 64.3061 38.1389 177.3327 41 Y 4.0939 7.3644 116.7949 60.7412 37.8677 176.5036 42 P 4.3493 0.0000 0.0000 65.7907 31.3046 178.8836 43 T 3.8712 7.8721 114.7672 66.4899 68.3698 176.7890 44 L 3.8194 8.0627 121.2358 57.7592 41.5409 179.8030 45 R 3.9810 8.0532 118.0155 59.1986 29.9831 179.0903 46 K 3.9744 8.1157 119.4385 59.3780 32.1107 178.8566 47 L 3.9563 8.2070 119.7068 57.6570 41.4305 179.1937 48 E 4.4047 8.2385 120.5464 58.7268 29.4449 178.5121 49 K 3.8960 7.9196 118.3752 59.6706 32.2498 177.4353 50 D 4.7723 8.0740 115.9761 53.7529 40.7725 177.0019 51 G 3.9439 8.0199 107.3065 46.2934 0.0000 175.0938 52 K 4.4470 8.3676 120.9959 57.4350 33.4233 176.4930 53 I 5.1710 7.6184 112.4579 59.5821 41.5838 173.9517 54 T 4.8348 9.1314 113.2151 59.9483 71.6315 173.0651 55 K 4.6197 8.5070 123.7485 54.5125 34.7672 174.4661 56 E 4.5231 8.9329 128.7010 54.3036 32.2347 174.4942 57 V 4.4621 8.3061 127.0831 61.4501 32.8935 174.8832 58 V 4.1191 8.8413 129.9014 61.8797 32.7361 174.5126 59 I 4.8218 8.3060 128.7872 59.8689 38.8286 175.3523 60 Q 4.5646 8.3726 124.0097 53.6222 32.6092 174.3711 61 D 4.3706 8.7804 121.4667 55.9896 41.1493 176.8027 62 G 3.9720 9.0148 111.0983 46.0797 0.0000 173.0223 63 R 4.7493 7.5633 116.5255 53.0485 34.0035 173.6516 64 P 4.4549 0.0000 0.0000 62.3534 31.9943 176.2681 65 N 4.5483 8.6135 118.0943 53.9932 39.4323 174.0838 66 K 4.3588 8.7697 123.8189 54.7162 34.7821 174.3272 67 N 5.1069 8.3736 124.6627 51.8565 40.7076 173.7043 68 I 4.7367 8.6116 125.0975 59.6205 40.0591 174.2246 69 Y 5.2821 9.0639 124.4970 56.2180 41.0700 174.7272 70 A 5.0038 8.7374 123.7785 50.0336 22.9348 175.4104 71 I 4.3074 8.5434 122.1542 61.3364 39.1131 175.3839 72 T 4.4725 8.3728 118.6595 60.2253 71.4292 175.4298 73 E 3.9554 8.9158 120.9088 59.8464 29.3531 179.9583 74 S 4.2921 8.1392 113.6106 61.1721 63.0194 176.6358 75 G 3.5575 7.9586 109.3930 47.6784 0.0000 175.9169 76 K 3.9893 8.3722 121.5139 58.9112 32.0316 179.4237 77 K 3.9284 8.1710 120.0434 59.4047 32.0847 178.5398 78 E 3.9560 8.3747 119.7449 59.0876 29.4723 178.5492 79 L 3.9509 8.1986 120.3087 58.0736 41.9711 178.6248 80 A 4.0026 7.9547 119.5662 55.4556 18.7292 179.4843 81 S 4.2091 8.1962 113.4729 61.7982 62.7833 176.2253 82 Y 4.0022 8.2088 122.2480 60.8273 38.4054 178.1952 83 L 4.0266 8.1816 117.8692 56.8483 41.7849 178.5408 84 Q 4.2483 7.5683 116.7549 56.0038 29.2365 176.2350 85 S 4.2670 6.9186 114.3216 57.5224 63.7223 173.8199 86 D 4.3667 8.1923 121.1561 53.9902 41.1311 176.8410 87 V 3.5816 8.0683 122.9862 62.9512 32.0687 175.7167 88 N 4.7137 8.4399 124.2582 52.4019 39.4798 174.7114 89 D 4.5510 8.3824 120.1811 54.1344 41.5420 176.6522 90 E 4.2074 8.5802 120.1402 56.3915 30.4120 176.0809 91 I 4.4254 8.1619 121.4468 59.6947 38.7944 175.3232 92 F 4.8166 8.5824 126.8194 56.7229 41.7454 173.5629 93 K 4.0143 8.1556 126.8448 54.0168 34.7227 176.2255 94 S 4.4184 7.7963 119.0736 56.3503 63.7953 173.6944 95 D 4.3150 8.5453 129.4834 57.1542 41.2143 177.4376 96 F 4.1901 8.3292 120.8109 61.5685 39.3952 177.0339 97 L 3.7466 8.1395 118.3504 57.7923 41.3717 178.9917 98 M 4.1554 7.9921 118.1212 58.9116 31.9976 178.4522 99 R 3.9857 8.1771 118.0938 59.3908 30.3662 179.1298 100 L 3.8921 7.5309 118.2194 57.5315 41.3489 179.2184 101 F 3.7599 8.4935 120.0908 60.4465 39.3133 176.5486 102 F 5.0311 8.2441 115.4901 57.0421 40.4998 176.2646 103 G 4.4096 7.5805 105.3900 44.2316 0.0000 176.6965 104 N 4.2636 8.3749 119.3490 55.8294 38.8345 176.9237 105 S 4.3466 7.8923 110.6663 59.3829 63.8885 174.4336 106 L 3.9005 7.3392 121.8579 55.4479 41.9432 177.5254 107 N 4.7405 8.7280 123.5467 52.8229 39.7473 176.2164 108 D 4.4275 8.6947 123.4967 58.8918 39.6139 179.6037 109 D 4.4977 8.0880 118.6409 57.5151 41.4191 177.9957 110 D 4.3564 8.7876 119.7573 57.0816 40.7183 178.6058 111 L 3.9299 8.0501 120.8558 58.2510 42.1237 178.4758 112 E 3.9440 8.3831 119.3915 59.3809 29.4983 178.5902 113 Q 3.9634 8.3590 119.5588 59.2584 29.1727 178.2587 114 L 4.1341 8.0517 119.9124 57.9478 41.5960 179.6742 115 I 3.8850 8.1431 119.7204 64.5481 37.1047 178.6914 116 R 3.9076 8.3007 119.1477 59.3964 29.8885 179.0440 117 E 3.9759 8.3385 118.3620 59.2669 29.4361 179.0577 118 E 3.6998 8.1020 119.4884 59.0333 29.4496 178.7330 119 I 3.6266 7.8303 120.1717 64.4766 37.1502 178.2215 120 E 4.0717 8.1411 119.1838 59.5064 29.2966 179.4895 121 R 3.8590 7.9791 118.0429 59.3363 30.0243 179.3410 122 K 3.7791 8.0360 118.0980 59.2354 32.0139 179.1678 123 E 3.8783 8.3460 119.2439 59.4245 29.3742 179.1024 124 E 3.8544 8.1922 119.1371 59.2611 29.7431 179.0304 125 K 3.8028 7.7662 118.5040 59.2281 31.8873 179.3711 126 I 3.7637 7.6675 120.3008 64.2964 37.0094 178.4641 127 K 3.8694 8.0228 119.1898 59.5723 31.9218 179.3370 128 R 3.8023 8.0094 118.8088 59.3304 29.9722 178.3480 129 L 3.8874 8.0141 120.1265 58.1638 42.1429 178.9992 130 S 4.1687 8.6098 118.0758 62.1764 62.7354 177.1945 131 E 3.9043 8.2787 121.0001 61.2910 29.4438 180.9174 132 N 3.9459 7.8800 117.8634 55.4314 38.3603 177.1823 133 L 4.2050 8.0531 124.3762 59.0442 42.1241 179.6863 134 E 4.0159 8.0531 117.9487 61.0551 29.6548 180.8746 135 I 3.8531 7.5758 121.0064 64.0955 37.1678 178.5894 136 W 4.4889 8.1399 119.7654 59.6352 28.9056 178.4676 137 K 3.9925 8.4327 119.5273 59.7192 31.5237 178.9498 138 K 3.9873 8.0690 117.3557 59.3462 32.0518 178.7369 139 K 4.2431 8.1389 118.2527 56.8315 32.2102 177.2195 140 G 3.9037 7.9928 106.4144 46.9951 0.0000 174.0282 141 E 4.3890 8.2926 117.9879 55.5606 30.6663 176.1082 142 L 4.1816 7.8239 121.7698 54.4019 42.2318 176.9117 143 T 4.3006 8.5555 117.6954 60.3999 71.2434 173.7982 144 P 4.2648 0.0000 0.0000 65.9621 31.4138 179.1595 145 T 3.9057 7.7795 108.1789 64.8149 68.8398 176.5273 146 Q 3.9469 7.9937 120.9393 58.6837 28.6491 178.4675 147 E 3.9800 8.2992 120.2729 59.1798 29.6130 178.7283 148 I 3.7376 7.6120 119.7427 64.8347 37.1653 178.4243 149 T 3.8538 7.8466 110.1609 64.8672 68.4036 176.5684 150 I 3.5699 7.8371 122.5737 64.0833 37.1563 178.3470 151 K 3.9597 8.2596 119.4607 59.6264 31.8880 178.6498 152 Y 4.0780 8.3969 119.8108 60.6529 38.7824 178.2573 153 G 3.6746 8.6125 106.8531 48.0070 0.0000 175.5271 154 L 4.1099 8.3810 122.0713 57.2280 41.5270 179.4885 155 A 3.9376 8.1332 120.7829 55.1660 17.9660 179.3794 156 Q 3.7642 7.8550 117.9738 59.5807 29.0243 178.2871 157 Y 4.4057 7.6882 117.6223 61.2053 37.9470 178.6091 158 K 4.1193 8.5749 120.1157 59.3067 32.2817 179.6800 159 S 4.1662 8.4306 115.2719 61.5929 63.0156 176.6504 160 T 4.0342 7.7645 113.0436 64.0866 68.6282 176.7446 161 K 3.9061 8.1212 122.6271 59.1559 32.2027 178.6130 162 K 4.0420 8.2003 119.9221 59.5112 32.1139 178.7432 163 V 3.6145 7.6677 118.0296 66.2251 31.3975 178.0645 164 L 4.0900 7.8433 118.0790 57.7640 41.4613 179.3116 165 E 3.9797 8.4678 118.8044 59.5801 29.5455 179.3409 166 E 4.0403 8.4080 118.5646 59.0402 29.2019 179.1333 167 E 3.9337 7.9199 118.9246 59.4017 29.8894 178.6559 168 L 4.1264 7.9449 117.3693 57.5114 41.6423 179.1856 169 A 4.1884 7.9340 122.8068 55.5042 18.4688 178.6598 170 K 4.1499 7.7391 125.0874 57.4378 31.9353 178.2470 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 1 M 8.20 4.69 0.00 2.17 2.28 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.70 0.00 2 Q 8.72 4.56 0.00 2.17 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 6.64 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 3 G 8.46 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 4 K 7.86 3.95 0.00 1.90 2.00 0.00 1.44 0.00 0.00 1.77 0.00 0.00 3.13 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.38 7.81 5 D 7.56 3.96 0.00 2.26 1.62 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 6 I 7.24 3.61 1.49 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.46 0.24 0.00 0.00 7 I 7.41 3.61 1.70 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.63 0.74 0.00 0.00 8 L 7.66 4.05 0.00 1.68 1.68 0.87 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 9 G 8.04 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 10 I 7.77 3.76 1.96 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.69 0.90 0.00 0.00 11 L 7.83 4.55 0.00 1.68 1.69 0.91 0.71 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 12 S 7.64 4.40 0.00 3.99 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 13 K 7.89 4.37 0.00 1.74 1.90 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.49 7.81 14 K 6.87 4.69 0.00 1.87 1.67 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.58 7.81 15 E 8.60 4.46 0.00 1.87 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 2.33 2.35 0.00 16 R 8.99 4.91 0.00 1.77 1.81 0.00 3.16 0.00 0.00 3.45 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 17 S 8.85 4.70 0.00 3.83 4.04 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 18 G 9.21 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 0.00 0.00 0.00 19 Y 7.72 4.45 0.00 3.07 2.93 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 20 E 8.48 4.04 0.00 2.16 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 0.00 2.37 2.42 0.00 21 I 7.99 3.67 1.92 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 1.39 0.72 0.77 0.00 0.00 22 N 8.39 4.22 0.00 2.87 3.10 0.00 0.00 6.90 8.06 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 23 D 8.25 4.33 0.00 3.02 2.87 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 24 I 8.02 3.76 2.04 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.96 0.98 0.00 0.00 25 L 7.90 3.89 0.00 1.62 1.78 0.76 1.03 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 26 Q 8.20 4.25 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.47 0.00 0.00 0.00 0.00 0.00 2.62 2.55 0.00 27 N 8.35 4.98 0.00 2.92 2.80 0.00 0.00 6.83 7.47 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 28 Q 8.10 4.63 0.00 2.38 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.96 0.00 0.00 0.00 0.00 0.00 2.23 2.48 0.00 29 L 7.85 4.33 0.00 1.39 0.73 0.90 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 30 S 8.22 4.64 0.00 4.04 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 0.00 31 Y 8.42 4.79 0.00 3.34 3.33 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 32 F 7.29 4.81 0.00 2.90 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 33 Y 7.09 4.22 0.00 2.94 2.51 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 34 D 8.07 4.76 0.00 2.87 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 35 G 7.97 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.44 4.02 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 1.21 0.00 0.00 *37 Y 8.29 4.16 0.00 2.32 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 0.00 0.00 0.00 0.00 38 G 8.78 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 39 M 7.99 4.16 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.53 0.00 40 I 7.43 3.38 1.56 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.08 0.11 0.00 0.00 41 Y 7.36 4.09 0.00 3.09 2.98 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 0.00 0.00 0.00 42 P 0.00 4.35 0.00 2.17 2.12 0.00 3.73 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.24 0.00 43 T 7.87 3.87 4.30 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 1.13 0.00 0.00 44 L 8.06 3.82 0.00 1.66 1.37 0.39 0.48 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 45 R 8.05 3.98 0.00 2.05 2.01 0.00 3.16 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.88 0.00 46 K 8.12 3.97 0.00 1.84 1.90 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.61 1.48 7.81 47 L 8.21 3.96 0.00 1.82 1.68 0.82 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.24 4.40 0.00 2.22 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 0.00 2.34 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2.33 0.00 74 S 8.14 4.29 0.00 4.05 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 75 G 7.96 3.56 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 0.00 0.00 0.00 76 K 8.37 3.99 0.00 1.97 1.87 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.57 7.81 77 K 8.17 3.93 0.00 2.01 1.90 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.45 7.81 78 E 8.37 3.96 0.00 2.16 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 2.34 0.00 79 L 8.20 3.95 0.00 1.79 1.81 0.94 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 80 A 7.95 4.00 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.20 4.21 0.00 4.08 3.95 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 82 Y 8.21 4.00 0.00 3.09 3.13 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 83 L 8.18 4.03 0.00 1.64 1.69 0.93 1.14 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 84 Q 7.57 4.25 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.94 0.00 0.00 0.00 0.00 0.00 2.32 2.50 0.00 85 S 6.92 4.27 0.00 3.85 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 8.19 4.37 0.00 2.64 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.07 3.58 2.04 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 0.76 0.00 0.00 0.86 0.00 0.00 88 N 8.44 4.71 0.00 2.82 2.77 0.00 0.00 7.11 8.06 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 89 D 8.38 4.55 0.00 2.69 2.63 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 0.00 90 E 8.58 4.21 0.00 2.14 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 2.42 0.00 91 I 8.16 4.43 1.89 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 1.33 0.66 0.91 0.00 0.00 92 F 8.58 4.82 0.00 2.89 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 93 K 8.16 4.01 0.00 1.58 1.54 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.71 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.25 1.32 7.81 94 S 7.80 4.42 0.00 3.47 3.57 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 95 D 8.55 4.31 0.00 2.83 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 96 F 8.33 4.19 0.00 3.19 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 97 L 8.14 3.75 0.00 1.78 1.73 1.18 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 98 M 7.99 4.16 0.00 2.27 2.20 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 3.11 0.00 99 R 8.18 3.99 0.00 1.87 1.96 0.00 3.37 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.86 0.00 100 L 7.53 3.89 0.00 1.55 1.56 0.57 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 101 F 8.49 3.76 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 0.00 102 F 8.24 5.03 0.00 3.21 3.02 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 0.00 103 G 7.58 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 0.00 0.00 0.00 0.00 104 N 8.37 4.26 0.00 2.72 2.88 0.00 0.00 7.18 7.57 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 0.00 105 S 7.89 4.35 0.00 3.98 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 0.00 106 L 7.34 3.90 0.00 1.68 1.69 0.90 1.01 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 0.00 107 N 8.73 4.74 0.00 2.99 2.94 0.00 0.00 6.34 8.07 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 0.00 108 D 8.69 4.43 0.00 2.70 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 0.00 109 D 8.09 4.50 0.00 2.79 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 0.00 110 D 8.79 4.36 0.00 2.79 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 0.00 111 L 8.05 3.93 0.00 1.91 1.81 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 112 E 8.38 3.94 0.00 2.15 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 0.00 2.33 2.35 0.00 113 Q 8.36 3.96 0.00 2.33 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.65 0.00 114 L 8.05 4.13 0.00 2.06 2.01 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 115 I 8.14 3.89 2.09 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.03 0.98 0.00 0.00 116 R 8.30 3.91 0.00 1.97 1.98 0.00 3.14 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 1.66 1.90 0.00 117 E 8.34 3.98 0.00 2.17 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 2.33 2.55 0.00 118 E 8.10 3.70 0.00 1.16 1.29 0.00 0.00 0.00 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 1.92 0.00 119 I 7.83 3.63 1.98 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 1.48 0.60 0.88 0.00 0.00 120 E 8.14 4.07 0.00 2.15 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 2.30 2.46 0.00 121 R 7.98 3.86 0.00 1.92 1.91 0.00 3.21 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 122 K 8.04 3.78 0.00 1.88 1.80 0.00 1.63 0.00 0.00 1.86 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.57 7.81 123 E 8.35 3.88 0.00 2.10 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 2.30 2.40 0.00 124 E 8.19 3.85 0.00 2.02 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 2.26 2.33 0.00 125 K 7.77 3.80 0.00 0.99 0.91 0.00 1.46 0.00 0.00 1.52 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.50 7.81 126 I 7.67 3.76 2.00 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 1.67 0.66 0.94 0.00 0.00 127 K 8.02 3.87 0.00 1.90 1.82 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.59 7.81 128 R 8.01 3.80 0.00 1.84 1.89 0.00 3.11 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 129 L 8.01 3.89 0.00 1.96 1.78 0.20 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 130 S 8.61 4.17 0.00 4.02 3.88 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 0.00 131 E 8.28 3.90 0.00 1.97 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 2.24 2.22 0.00 132 N 7.88 3.95 0.00 2.33 1.45 0.00 0.00 6.69 6.83 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 0.00 133 L 8.05 4.20 0.00 1.87 1.90 1.02 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 134 E 8.05 4.02 0.00 2.04 1.94 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 2.24 2.22 0.00 135 I 7.58 3.85 1.68 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 1.44 0.46 0.82 0.00 0.00 136 W 8.14 4.49 0.00 3.70 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 0.00 137 K 8.43 3.99 0.00 2.05 2.00 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.53 7.81 138 K 8.07 3.99 0.00 1.86 1.89 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.48 7.81 139 K 8.14 4.24 0.00 1.99 2.10 0.00 1.96 0.00 0.00 2.18 0.00 0.00 3.20 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.62 1.51 7.81 140 G 7.99 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 0.00 0.00 0.00 141 E 8.29 4.39 0.00 2.08 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 2.29 2.28 0.00 142 L 7.82 4.18 0.00 1.71 1.65 0.98 1.05 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 0.00 143 T 8.56 4.30 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 1.18 0.00 0.00 144 P 0.00 4.26 0.00 2.16 2.13 0.00 3.56 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 145 T 7.78 3.91 4.17 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 0.00 0.00 1.17 0.00 0.00 146 Q 7.99 3.95 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.84 0.00 0.00 0.00 0.00 0.00 2.22 2.24 0.00 147 E 8.30 3.98 0.00 2.07 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 0.00 2.34 2.39 0.00 148 I 7.61 3.74 2.03 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 1.59 0.65 0.95 0.00 0.00 149 T 7.85 3.85 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 1.12 0.00 0.00 150 I 7.84 3.57 2.05 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.82 0.89 0.00 0.00 151 K 8.26 3.96 0.00 2.01 1.90 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.67 7.81 152 Y 8.40 4.08 0.00 3.11 3.13 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 0.00 153 G 8.61 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 L 8.38 4.11 0.00 1.68 1.77 0.94 0.99 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 0.00 155 A 8.13 3.94 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 Q 7.86 3.76 0.00 1.92 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.76 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 157 Y 7.69 4.41 0.00 3.20 2.87 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 0.00 158 K 8.57 4.12 0.00 1.88 1.88 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.60 7.81 159 S 8.43 4.17 0.00 4.02 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 0.00 160 T 7.76 4.03 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 1.28 0.00 0.00 161 K 8.12 3.91 0.00 1.97 2.06 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.54 1.43 7.81 162 K 8.20 4.04 0.00 2.04 2.01 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.46 7.81 163 V 7.67 3.61 2.28 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 1.03 0.00 0.00 0.99 0.00 0.00 164 L 7.84 4.09 0.00 1.89 1.72 0.73 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 165 E 8.47 3.98 0.00 2.14 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 2.51 0.00 166 E 8.41 4.04 0.00 2.19 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 2.34 2.48 0.00 167 E 7.92 3.93 0.00 2.00 2.21 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 2.37 2.43 0.00 168 L 7.94 4.13 0.00 1.82 1.73 0.93 0.72 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 0.00 169 A 7.93 4.19 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 0.00 170 K 7.74 4.15 0.00 1.91 1.62 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.40 1.35 7.81 * Residues marked with a * may have inaccurate shift predictions.