NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 4.7211 8.4449 120.3956 55.9502 31.1024 171.9041 *2 D 4.3603 8.2471 119.5627 54.1363 41.6011 175.1608 3 I 4.5313 8.1247 123.3467 59.7508 39.1382 174.8721 4 R 4.5010 8.5400 126.3884 54.6265 32.5957 173.8726 5 Y 5.0119 8.3559 122.9275 56.2002 40.7040 175.0269 6 F 4.7975 9.1381 121.6503 55.9703 43.1984 175.4922 7 G 3.8508 9.0174 110.4111 46.7268 0.0000 173.7293 8 T 4.0608 8.2572 114.6766 62.8655 69.1050 174.4068 9 T 4.5118 8.5934 116.1641 58.5445 71.4503 173.0574 10 P 4.1148 0.0000 0.0000 64.4432 31.5968 176.9855 11 R 4.3256 7.2349 118.7297 57.7637 31.0775 175.0860 12 Y 4.9044 7.2253 113.7287 55.8458 40.9616 173.0303 13 S 5.1343 8.4492 115.3991 56.6749 65.6557 175.3751 14 E 3.9181 8.4947 123.7220 59.0232 30.2575 176.9666 15 A 5.1722 8.0961 119.3660 50.4177 23.2518 175.7372 16 V 4.9332 9.3766 113.6087 59.5329 36.1158 174.9642 17 G 4.6180 9.3510 111.5865 44.4399 0.0000 171.6906 18 A 4.9442 9.0193 125.8224 50.7145 22.8151 175.8425 19 N 3.9180 9.7981 122.0589 54.7371 37.4194 175.1023 20 G 3.9658 8.0987 104.7175 45.3951 0.0000 172.5994 21 L 4.9384 7.5458 122.2465 53.8653 44.4924 175.3148 22 I 5.0939 8.3590 124.5874 59.6885 41.3597 174.0485 23 F 5.1785 9.4613 126.0231 55.7111 41.3972 174.6929 24 L 5.0533 8.6368 123.9584 53.0669 43.3973 176.8071 25 S 4.2311 8.8027 118.6953 58.4832 63.7088 176.1801 26 G 4.2834 7.9690 108.6322 44.9815 0.0000 173.2516 *28 V 3.3940 7.9662 111.7197 59.9988 32.4513 173.5238 29 P 4.4374 0.0000 0.0000 62.8669 31.5293 176.4985 30 E 4.5232 9.9115 123.5389 57.0534 30.3361 176.0315 31 N 5.0289 8.0907 115.0986 52.0273 42.6146 174.2086 32 G 4.0335 8.9086 106.9283 45.5820 0.0000 172.6285 33 E 4.4465 8.8080 119.5114 57.6501 31.5633 177.4427 34 T 4.2341 8.1968 108.8847 61.0689 70.9194 175.1386 35 A 4.0078 8.5481 123.2544 55.3066 18.3827 179.9519 36 A 3.9393 8.1837 119.0173 55.3175 18.5758 179.8093 37 E 3.9185 8.0469 116.7896 59.7115 29.5062 179.6345 38 Q 4.2898 8.1508 119.4490 58.4977 28.6473 178.8258 39 T 3.7603 8.2340 116.9004 66.6672 68.5870 176.3215 40 A 3.8865 7.8616 122.5664 55.2493 18.2861 179.2088 41 D 4.1947 7.9392 115.9154 57.4680 41.3604 178.6287 42 V 3.4811 7.8792 118.9127 66.0737 31.4892 177.9792 43 L 3.4706 7.9762 118.6815 57.3653 41.2301 179.3603 44 A 3.9988 7.9644 120.7928 55.3217 18.2500 179.6916 45 Q 3.9381 8.0631 116.5398 59.0118 28.6665 179.0703 46 I 3.8258 7.8026 120.8134 64.6485 37.2495 178.0336 47 D 4.4752 8.3798 119.6971 57.4611 40.5624 179.0236 48 R 3.7131 7.9570 118.9332 59.3506 29.9722 178.7224 49 W 4.4608 8.3125 118.8822 59.5034 28.9583 178.6630 50 L 3.9901 8.4530 119.2814 57.6898 41.0009 179.3126 51 A 4.2519 7.6983 121.4637 54.8218 18.1312 179.4730 52 E 3.8675 7.7021 115.4273 59.4464 29.6010 178.5968 53 C 3.8027 7.3402 114.3297 59.1890 28.7621 173.9447 54 G 3.7615 8.7018 109.6902 46.1154 0.0000 172.9830 55 S 4.7660 8.1404 114.2465 56.8984 66.0277 171.1107 56 D 4.6931 7.8908 118.9748 52.2928 41.3282 175.9182 57 K 3.7969 8.3881 117.3661 59.5926 32.4261 177.5798 58 A 4.1456 7.6863 120.1185 53.1002 18.4667 177.0219 59 H 4.8472 8.2047 113.0368 55.3065 30.2898 173.1985 60 V 4.2089 7.7732 118.9622 62.6237 32.5686 175.3351 61 L 4.5060 9.0035 126.8340 56.4627 43.3619 176.0081 62 D 5.3692 7.8526 115.9112 52.9170 45.5638 173.8867 63 A 5.0487 8.8641 124.5089 50.8567 23.0546 175.1363 64 V 4.4574 8.9103 123.8966 61.3084 33.7774 174.4993 65 I 4.7285 8.3254 129.0684 59.6836 39.8825 173.9697 66 Y 5.2607 8.9705 125.4597 56.2638 40.3182 174.6867 67 L 5.2136 8.6296 123.9188 52.8493 44.1245 177.3991 68 R 4.1507 8.7632 124.4194 58.6416 30.7601 175.1910 69 D 4.9613 7.7066 117.1147 52.7432 43.9314 174.9975 *71 G 3.9526 8.5860 104.7157 45.7292 0.0000 173.1018 72 D 4.7645 8.0265 119.2848 54.4524 41.0853 177.6166 73 Y 4.0672 8.2262 121.4175 60.8222 39.1886 177.3568 74 A 4.0095 8.1992 122.1426 55.2691 18.8092 179.4325 75 E 3.8807 7.6793 113.8479 57.1392 29.2563 178.0752 *77 N 4.7069 8.3240 117.0069 52.7463 40.9958 176.8120 78 G 3.7395 8.0624 104.8162 48.0417 0.0000 175.9030 79 V 3.7486 7.4949 119.4416 65.2222 31.6517 177.7824 80 W 4.2738 8.2635 127.6913 60.8452 30.3472 177.5227 81 D 4.4641 8.7381 117.6852 57.2675 40.3098 178.3103 82 A 4.1421 7.6026 119.2193 53.9581 18.4582 178.7940 83 W 4.2873 7.3699 125.0456 58.7759 31.5293 177.4633 84 V 2.8509 6.6559 110.4370 60.9007 31.7889 175.5820 85 A 3.9468 7.7496 125.5186 51.0145 19.1945 177.1131 86 A 4.0439 8.3674 125.8587 53.5775 18.7770 177.9942 87 G 3.9554 8.9638 109.8596 46.0662 0.0000 173.7646 88 R 4.6532 7.6242 117.7764 55.2815 31.0821 175.6217 89 T 4.2046 7.7668 107.5728 60.4908 70.2362 172.8326 90 P 4.7974 0.0000 0.0000 61.6312 33.3574 175.3526 91 A 4.2544 8.5674 122.1397 52.4945 19.3469 176.7372 92 R 5.1161 8.4252 120.0200 54.7370 33.5493 173.9828 93 A 4.7652 8.7867 125.8441 50.3871 23.1667 174.5596 94 C 4.9999 8.4402 119.5282 57.9810 34.5096 173.4666 95 V 4.5731 8.4982 118.3142 59.5227 36.2821 173.8609 96 E 5.0645 8.6825 122.6898 55.4597 30.5118 175.1795 97 A 4.7035 9.0703 127.2846 50.5055 23.2597 175.4306 98 R 4.0773 8.7028 122.6660 56.4579 30.5898 176.0325 99 L 4.7025 8.4590 124.9796 52.5644 44.2084 177.1247 100 A 3.7449 8.9108 122.5397 54.5458 18.7559 178.2338 101 R 4.2873 6.7978 114.0951 53.0869 32.9436 174.9453 102 P 4.2088 0.0000 0.0000 65.8969 31.1654 177.2634 103 E 4.1543 7.7476 115.8703 57.1190 29.8691 176.5137 104 W 4.6464 7.7645 119.8836 56.8268 29.3538 176.1465 105 R 4.6312 9.5925 123.6627 57.2838 31.2886 176.9055 106 V 5.0875 7.5916 117.0166 60.2072 34.7062 173.9132 107 E 4.6617 9.3387 123.9405 54.5352 33.1742 173.8939 108 I 4.9956 8.4362 126.4395 59.2971 40.4304 174.5312 109 K 4.6315 9.3091 128.1079 54.6541 34.7568 174.5547 110 I 5.0574 8.4686 127.5006 59.8306 40.5314 174.3555 111 T 4.8084 8.5807 122.7155 61.7766 71.3525 173.3522 112 A 5.1178 8.9988 126.9875 50.5003 23.5810 174.5494 113 V 4.7998 8.4690 118.3134 59.7803 33.8092 175.8187 114 K 4.2383 9.0776 125.3130 56.1220 32.8082 176.8578 115 R 4.1297 8.3348 126.2445 56.4502 30.8563 176.3352 116 D 4.5724 8.5824 122.1568 53.0492 43.1203 176.5990 117 A 4.0811 8.4513 121.7363 53.1079 18.7105 177.1042 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 0 H 8.44 4.72 0.00 3.09 3.32 0.00 5.92 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 *2 D 8.25 4.36 0.00 2.62 2.57 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 3 I 8.12 4.53 1.69 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 1.15 0.51 0.17 0.00 0.00 4 R 8.54 4.50 0.00 1.77 1.63 0.00 2.99 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 1.22 0.00 5 Y 8.36 5.01 0.00 2.72 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 6 F 9.14 4.80 0.00 2.94 3.08 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 0.00 0.00 0.00 7 G 9.02 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 8 T 8.26 4.06 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 9 T 8.59 4.51 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 0.81 0.00 0.00 10 P 0.00 4.11 0.00 2.15 2.16 0.00 3.60 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.90 0.00 11 R 7.23 4.33 0.00 1.87 1.95 0.00 3.49 0.00 0.00 3.43 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.63 0.00 12 Y 7.23 4.90 0.00 3.20 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 13 S 8.45 5.13 0.00 3.91 4.15 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 0.00 0.00 0.00 0.00 14 E 8.49 3.92 0.00 1.16 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 2.20 1.94 0.00 15 A 8.10 5.17 1.20 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 0.00 0.00 16 V 9.38 4.93 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 1.02 0.00 0.00 17 G 9.35 4.62 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 0.00 0.00 0.00 18 A 9.02 4.94 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 19 N 9.80 3.92 0.00 2.83 2.88 0.00 0.00 7.23 7.98 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 20 G 8.10 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.55 4.94 0.00 1.89 1.74 0.84 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 22 I 8.36 5.09 1.91 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.49 0.90 0.00 0.00 23 F 9.46 5.18 0.00 2.91 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.64 5.05 0.00 1.55 1.69 1.03 0.95 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 25 S 8.80 4.23 0.00 3.53 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 26 G 7.97 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 0.00 0.00 0.00 *28 V 7.97 3.39 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.13 0.00 0.00 29 P 0.00 4.44 0.00 2.05 1.96 0.00 2.51 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.98 0.00 30 E 9.91 4.52 0.00 1.91 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 0.00 2.32 2.24 0.00 31 N 8.09 5.03 0.00 2.88 2.66 0.00 0.00 7.04 7.80 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 32 G 8.91 4.03 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 0.00 0.00 0.00 33 E 8.81 4.45 0.00 1.91 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 2.20 2.34 0.00 34 T 8.20 4.23 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 35 A 8.55 4.01 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.18 3.94 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.05 3.92 0.00 2.17 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 2.34 2.36 0.00 38 Q 8.15 4.29 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.60 2.45 0.00 39 T 8.23 3.76 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 40 A 7.86 3.89 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 41 D 7.94 4.19 0.00 2.92 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 42 V 7.88 3.48 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 0.88 0.00 0.00 0.84 0.00 0.00 43 L 7.98 3.47 0.00 1.37 0.39 0.49 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.96 4.00 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 45 Q 8.06 3.94 0.00 2.33 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.65 0.00 46 I 7.80 3.83 2.01 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.83 1.10 0.00 0.00 47 D 8.38 4.48 0.00 2.94 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 48 R 7.96 3.71 0.00 1.65 1.72 0.00 2.21 0.00 0.00 2.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.44 0.00 49 W 8.31 4.46 0.00 3.45 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 50 L 8.45 3.99 0.00 1.71 1.73 1.06 1.17 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 51 A 7.70 4.25 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 52 E 7.70 3.87 0.00 2.14 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 0.00 2.31 2.41 0.00 53 C 7.34 3.80 0.00 2.87 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 54 G 8.70 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 55 S 8.14 4.77 0.00 3.75 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 56 D 7.89 4.69 0.00 2.82 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 57 K 8.39 3.80 0.00 0.79 1.39 0.00 0.61 0.00 0.00 1.22 0.00 0.00 2.46 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.03 0.85 7.81 58 A 7.69 4.15 1.22 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 0.00 0.00 59 H 8.20 4.85 0.00 3.29 3.33 0.00 5.81 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 7.77 4.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.11 0.00 0.00 61 L 9.00 4.51 0.00 1.69 1.65 0.86 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 62 D 7.85 5.37 0.00 2.75 2.43 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 63 A 8.86 5.05 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 V 8.91 4.46 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.86 0.00 0.00 65 I 8.33 4.73 1.61 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.46 0.77 0.00 0.00 66 Y 8.97 5.26 0.00 2.85 2.83 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 67 L 8.63 5.21 0.00 1.63 1.74 1.06 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.76 4.15 0.00 2.08 2.02 0.00 3.07 0.00 0.00 3.27 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.47 0.00 69 D 7.71 4.96 0.00 2.72 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *71 G 8.59 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 0.00 0.00 0.00 72 D 8.03 4.76 0.00 2.97 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 73 Y 8.23 4.07 0.00 2.80 2.99 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 74 A 8.20 4.01 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 75 E 7.68 3.88 0.00 2.22 1.92 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 2.32 2.29 0.00 *77 N 8.32 4.71 0.00 2.76 2.77 0.00 0.00 6.89 7.61 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 78 G 8.06 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 0.00 0.00 0.00 79 V 7.49 3.75 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 1.01 0.00 0.00 1.00 0.00 0.00 80 W 8.26 4.27 0.00 3.47 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 D 8.74 4.46 0.00 2.74 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 82 A 7.60 4.14 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 83 W 7.37 4.29 0.00 3.26 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 V 6.66 2.85 1.79 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 -0.01 0.00 0.00 0.82 0.00 0.00 85 A 7.75 3.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.37 4.04 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 87 G 8.96 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 0.00 0.00 0.00 88 R 7.62 4.65 0.00 1.64 1.73 0.00 3.06 0.00 0.00 3.14 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.45 0.00 89 T 7.77 4.20 4.35 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 1.20 0.00 0.00 90 P 0.00 4.80 0.00 2.27 2.36 0.00 4.04 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.28 0.00 91 A 8.57 4.25 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 92 R 8.43 5.12 0.00 1.80 1.66 0.00 2.21 0.00 0.00 2.90 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.20 0.00 93 A 8.79 4.77 1.11 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 0.00 0.00 94 C 8.44 5.00 0.00 2.87 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 V 8.50 4.57 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 0.62 0.00 0.00 0.97 0.00 0.00 96 E 8.68 5.06 0.00 1.98 1.84 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 2.27 2.62 0.00 97 A 9.07 4.70 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 98 R 8.70 4.08 0.00 1.82 1.84 0.00 3.25 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 99 L 8.46 4.70 0.00 2.01 1.88 1.14 0.96 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 0.00 100 A 8.91 3.74 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 R 6.80 4.29 0.00 0.67 1.14 0.00 2.73 0.00 0.00 2.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.50 0.00 102 P 0.00 4.21 0.00 2.10 2.13 0.00 3.49 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.90 0.00 103 E 7.75 4.15 0.00 1.99 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 2.27 2.32 0.00 104 W 7.76 4.65 0.00 3.53 2.99 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 0.00 105 R 9.59 4.63 0.00 1.79 2.01 0.00 3.32 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.85 0.00 106 V 7.59 5.09 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 0.62 0.00 0.00 0.91 0.00 0.00 107 E 9.34 4.66 0.00 1.98 1.87 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 2.26 2.17 0.00 108 I 8.44 5.00 1.83 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 1.16 0.74 0.94 0.00 0.00 109 K 9.31 4.63 0.00 1.92 1.81 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.51 7.81 110 I 8.47 5.06 1.94 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.94 0.99 0.00 0.00 111 T 8.58 4.81 4.11 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 0.69 0.00 0.00 112 A 9.00 5.12 1.22 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 0.00 0.00 113 V 8.47 4.80 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.96 0.00 0.00 114 K 9.08 4.24 0.00 1.76 1.74 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.44 1.58 7.81 115 R 8.33 4.13 0.00 1.68 1.76 0.00 3.05 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.50 0.00 116 D 8.58 4.57 0.00 2.64 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 A 8.45 4.08 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 * Residues marked with a * may have inaccurate shift predictions.