NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *18 Y 4.4697 8.2445 119.1429 56.7890 38.3208 175.0991 19 I 4.3477 7.2456 119.2432 57.6264 39.6436 175.5166 20 N 4.4489 9.9551 122.9324 49.8225 40.4283 173.1220 *21 T 4.5441 8.5411 129.3800 59.9432 68.9760 166.8230 *27 L 4.1436 7.3821 127.0937 54.3523 42.3362 176.9030 28 T 4.2425 7.8454 115.9259 60.7903 71.1792 174.8131 29 N 4.4024 8.5767 117.9119 56.5128 38.4104 177.7426 30 Q 4.0257 8.0216 118.9909 59.0272 28.9200 178.5913 31 L 4.0709 8.0841 120.0059 57.8675 41.6289 179.6454 32 Q 4.0549 8.2703 118.1570 58.8572 28.5828 178.5221 33 F 4.0921 8.3456 121.7194 61.3222 39.4697 177.0884 34 L 4.0246 8.4072 118.8751 57.7627 41.1372 179.4386 35 Q 3.9877 8.1558 119.3428 59.3871 28.9594 178.3215 36 R 4.0044 8.3102 118.0437 58.5282 30.3506 177.7984 37 V 3.8559 7.6240 116.7990 64.5872 32.4552 177.7295 38 V 3.4386 6.9942 117.0165 65.8757 31.4371 177.5350 39 L 4.2858 8.6419 120.0669 58.3146 42.0579 178.8088 40 K 3.9014 7.6071 119.1477 59.7317 31.8579 178.4086 41 A 4.0709 7.9386 119.4908 55.2529 18.7086 179.3204 42 L 4.2409 8.1501 117.3880 57.4532 41.5671 179.3624 43 W 4.0519 8.4912 128.1683 60.4546 30.7028 177.2429 44 K 4.3581 8.1515 115.2808 58.2165 32.1270 177.0055 45 H 4.3073 8.1276 120.1447 55.4815 30.3092 176.4198 46 G 3.7498 8.3049 114.7942 48.4426 0.0000 174.0442 47 F 5.1905 8.4656 116.9921 57.9132 39.0515 176.9463 48 S 4.7027 8.2377 117.7302 59.4099 63.0416 175.9115 49 W 4.2234 8.4369 120.7772 59.5472 27.2940 176.0639 50 P 3.7728 0.0000 0.0000 63.5756 30.9523 177.2733 51 F 4.6233 7.7660 115.6653 57.2472 39.4639 176.8584 52 Q 3.9357 7.5607 117.6788 56.6316 28.8060 175.5613 53 Q 4.7260 6.9288 117.0920 53.1376 33.0602 172.7859 54 P 4.3325 0.0000 0.0000 62.2763 31.9666 176.9093 55 V 3.3016 8.1518 122.0893 62.9237 31.9777 175.8259 56 D 4.7113 8.1801 126.0533 52.3669 41.5309 176.3666 57 A 3.9130 8.4393 129.3973 54.2907 18.4326 179.0742 58 V 3.7014 7.8282 116.9246 65.7577 31.7585 178.2471 59 K 3.9930 8.2479 116.3240 59.2864 32.5234 177.5077 60 L 4.2769 7.7941 117.2197 53.5826 42.3501 176.4661 61 K 3.8404 7.6700 117.4988 57.8351 29.8486 176.6155 62 L 4.8211 8.5302 119.5872 51.5095 42.4988 175.9012 63 P 4.3086 0.0000 0.0000 65.2242 31.8964 177.3953 64 D 4.6292 8.1247 115.5873 54.2508 40.4555 177.2139 65 Y 3.4295 7.7772 121.6301 61.3906 38.3356 177.3119 66 Y 4.6163 7.4881 115.0233 58.8409 38.2762 177.1422 67 T 4.2395 7.8392 117.6249 65.9325 68.9591 176.5291 68 I 4.1572 7.5624 120.2302 62.1068 37.9931 175.9457 69 I 4.1628 7.6252 122.6946 59.5221 37.4295 176.3678 70 K 4.3305 8.6151 125.6367 58.0441 33.4043 176.9947 71 T 4.5313 7.4432 109.2896 58.3207 68.3304 171.5528 72 P 4.5708 0.0000 0.0000 64.0490 32.4804 176.1585 73 M 4.6514 8.1288 116.9507 53.9188 35.1034 173.6569 74 D 4.6907 8.0159 122.4972 51.1619 43.7736 176.3090 75 L 3.9936 8.6052 120.2597 57.8643 41.5078 179.5372 76 N 4.6971 8.6088 117.3572 56.8372 38.8588 177.1801 77 T 3.7945 8.0194 116.7419 66.6360 68.6528 176.4984 78 I 3.7164 7.5675 121.5271 64.1421 37.0688 178.1322 79 K 3.8724 8.4081 120.7630 59.8050 32.0238 178.8667 80 K 4.0985 8.5376 118.7832 59.5886 31.9368 179.6251 81 R 3.7462 8.3351 118.7749 59.0382 29.6650 179.1379 82 L 4.2844 8.2148 118.9356 57.9082 41.4331 179.3903 83 E 4.0567 8.0837 117.6508 58.9512 29.3931 178.0497 84 N 4.7580 8.0608 114.2365 51.8319 39.7438 175.3754 85 K 3.8849 7.6747 117.9448 57.7919 30.3320 175.5817 86 Y 4.1135 8.4688 120.6590 60.4506 39.3464 175.5054 87 Y 4.6355 7.6259 115.9280 57.8120 38.8218 174.9856 88 E 4.4636 9.0263 122.4971 57.3890 31.0003 176.6896 89 K 4.6555 8.0019 115.3933 53.8568 35.9329 176.5860 90 A 3.9857 8.9042 122.5985 55.7152 18.0739 180.1551 91 S 4.0949 8.1693 111.9783 61.7710 62.9034 176.6312 92 E 3.9944 8.1574 121.8165 59.3575 29.3648 178.8226 93 C 3.2552 7.5257 118.0563 62.3414 31.6661 175.4886 94 I 4.1600 8.0581 121.4820 64.5409 36.5610 178.3256 95 E 4.0916 8.2880 119.6395 59.4091 29.2830 179.0460 96 D 4.3298 7.9943 118.5457 57.3891 40.8793 178.7510 97 F 3.6341 8.0470 118.0588 60.5971 38.7626 177.5517 98 N 4.6407 8.2132 115.8270 56.4403 38.2404 177.7390 99 T 3.9029 8.0584 117.6934 66.4753 68.3662 176.3666 100 M 3.8516 7.7517 120.1539 58.6341 32.1816 178.3642 101 F 3.9322 7.1500 117.1837 60.5981 39.0016 177.7461 102 S 4.2556 8.3947 115.1191 61.8199 62.5652 176.5676 103 N 4.2937 8.4641 119.3762 56.3729 38.3084 176.9062 104 C 4.1735 7.7691 119.7452 62.9353 31.3534 175.2968 105 Y 4.4484 7.7034 118.2748 60.9751 37.1867 178.4752 106 L 4.0125 8.1654 120.7335 58.3131 42.3516 178.1706 107 Y 4.0448 8.0952 118.3614 59.6995 39.0447 175.6110 108 N 4.6087 7.7211 115.4011 52.1096 40.3769 174.4576 109 K 4.4786 8.1484 118.1746 55.1608 33.7467 177.0157 110 T 4.1336 8.0747 118.0262 64.9182 68.9494 174.3831 111 G 4.0978 8.7911 112.4402 46.0318 0.0000 174.6769 112 D 4.5092 7.6161 118.8215 54.0374 42.7297 176.9658 113 D 4.3141 8.6417 122.7862 57.8262 40.8791 179.2253 114 I 3.5981 7.6793 118.3411 63.8662 37.8455 177.9530 115 V 3.7477 7.7528 118.7983 66.0815 31.5867 177.9128 116 V 3.7609 7.6536 117.4928 66.4620 31.2957 177.9345 117 M 3.9974 8.1110 118.1773 58.2243 31.6716 178.6238 118 A 3.8858 8.4092 121.2603 55.1511 18.5533 179.7549 119 Q 4.0340 8.9195 118.1156 58.2409 28.7554 178.8150 120 A 4.0187 8.0452 121.8862 55.2703 18.5537 179.7119 121 L 3.9492 8.0019 117.5527 57.8975 41.5789 179.4426 122 E 3.3239 8.1500 119.6223 58.5223 29.3521 178.7907 123 K 3.8827 7.9763 119.9256 59.4464 32.2648 178.6128 124 L 3.9725 7.8821 120.5391 57.8707 41.8433 178.7644 125 F 4.0721 8.2258 120.7129 61.6733 39.5125 177.0672 126 M 3.8674 8.4885 118.7180 58.1648 31.4532 178.5683 127 Q 3.8925 7.9146 118.8645 59.3191 29.6306 178.2978 128 K 4.1490 8.1501 119.5821 59.3033 32.0633 179.1477 129 L 3.9125 8.0099 121.3204 57.9379 41.6655 179.1015 130 S 4.1893 7.7451 112.7644 60.4660 62.8559 174.8887 131 Q 4.3584 7.4294 119.9237 55.5544 28.7719 175.1194 132 M 2.5500 7.3245 119.0666 53.3900 32.7472 174.3665 133 P 4.1195 0.0000 0.0000 62.6822 31.8521 175.9844 134 Q 4.0291 8.3084 122.6742 55.6074 29.6969 175.6395 135 E 3.9887 8.6659 123.4062 57.0214 30.2299 177.0201 136 E 4.1146 8.7135 117.6420 56.9876 31.1935 174.8376 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 *18 Y 8.24 4.47 0.00 2.35 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 0.00 0.00 0.00 0.00 19 I 7.25 4.35 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 1.27 1.15 0.91 0.00 0.00 20 N 9.96 4.45 0.00 2.70 2.61 0.00 0.00 6.59 7.71 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 *21 T 8.54 4.54 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 *27 L 7.38 4.14 0.00 1.65 1.72 1.00 1.08 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 28 T 7.85 4.24 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 1.24 0.00 0.00 29 N 8.58 4.40 0.00 2.76 2.92 0.00 0.00 6.82 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 8.02 4.03 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.90 0.00 0.00 0.00 0.00 0.00 2.48 2.42 0.00 31 L 8.08 4.07 0.00 1.92 1.82 1.04 0.78 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 32 Q 8.27 4.05 0.00 2.37 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.70 0.00 33 F 8.35 4.09 0.00 3.25 3.25 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 34 L 8.41 4.02 0.00 2.02 1.89 0.99 1.16 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 35 Q 8.16 3.99 0.00 2.23 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 36 R 8.31 4.00 0.00 1.75 1.92 0.00 3.21 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 37 V 7.62 3.86 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 0.00 0.00 0.65 0.00 0.00 0.48 0.00 0.00 38 V 6.99 3.44 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 0.68 0.00 0.00 0.77 0.00 0.00 39 L 8.64 4.29 0.00 2.12 2.05 1.25 0.77 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 40 K 7.61 3.90 0.00 1.90 1.96 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.48 7.81 41 A 7.94 4.07 1.41 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 42 L 8.15 4.24 0.00 2.00 1.89 1.22 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 43 W 8.49 4.05 0.00 3.64 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 44 K 8.15 4.36 0.00 1.93 1.94 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.64 1.68 7.81 45 H 8.13 4.31 0.00 3.47 3.37 0.00 5.79 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.30 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 47 F 8.47 5.19 0.00 3.13 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 48 S 8.24 4.70 0.00 4.07 4.36 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 49 W 8.44 4.22 0.00 3.57 3.34 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 0.00 0.00 0.00 0.00 50 P 0.00 3.77 0.00 0.51 1.05 0.00 3.21 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 0.76 0.44 0.00 51 F 7.77 4.62 0.00 2.98 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 52 Q 7.56 3.94 0.00 1.92 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.67 6.70 0.00 0.00 0.00 0.00 0.00 1.16 2.14 0.00 53 Q 6.93 4.73 0.00 1.92 1.94 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 2.27 2.44 0.00 54 P 0.00 4.33 0.00 2.03 1.99 0.00 3.67 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.29 0.00 55 V 8.15 3.30 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 -0.25 0.00 0.00 0.46 0.00 0.00 56 D 8.18 4.71 0.00 2.68 2.48 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 0.00 57 A 8.44 3.91 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 58 V 7.83 3.70 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 1.09 0.00 0.00 0.95 0.00 0.00 59 K 8.25 3.99 0.00 1.90 1.92 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.68 1.38 7.81 60 L 7.79 4.28 0.00 1.61 1.65 0.71 0.96 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 61 K 7.67 3.84 0.00 1.87 1.82 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.39 1.39 7.81 62 L 8.53 4.82 0.00 1.48 1.56 0.61 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.31 0.00 2.08 2.17 0.00 3.74 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 64 D 8.12 4.63 0.00 2.91 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 65 Y 7.78 3.43 0.00 2.62 2.49 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 66 Y 7.49 4.62 0.00 3.12 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 67 T 7.84 4.24 4.46 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 1.23 0.00 0.00 68 I 7.56 4.16 1.98 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.62 0.91 0.00 0.00 69 I 7.63 4.16 1.27 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.40 0.85 0.00 0.00 70 K 8.62 4.33 0.00 1.88 1.94 0.00 1.52 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.37 1.43 7.81 71 T 7.44 4.53 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 1.23 0.00 0.00 72 P 0.00 4.57 0.00 2.38 2.50 0.00 3.87 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 73 M 8.13 4.65 0.00 1.86 1.88 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.61 0.00 74 D 8.02 4.69 0.00 3.08 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 75 L 8.61 3.99 0.00 1.77 2.10 0.91 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 76 N 8.61 4.70 0.00 3.35 3.06 0.00 0.00 7.10 7.35 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 77 T 8.02 3.79 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 1.06 0.00 0.00 78 I 7.57 3.72 1.81 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.78 0.62 0.00 0.00 79 K 8.41 3.87 0.00 1.91 1.95 0.00 0.77 0.00 0.00 1.26 0.00 0.00 2.52 0.00 0.00 2.40 0.00 0.00 0.00 0.00 1.31 1.32 7.81 80 K 8.54 4.10 0.00 1.83 1.78 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.71 7.81 81 R 8.34 3.75 0.00 1.79 1.21 0.00 2.91 0.00 0.00 2.37 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.56 0.00 82 L 8.21 4.28 0.00 1.98 1.83 1.09 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.08 4.06 0.00 1.94 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 2.32 2.61 0.00 84 N 8.06 4.76 0.00 2.74 2.83 0.00 0.00 7.22 7.23 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 85 K 7.67 3.88 0.00 1.85 1.86 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.38 7.81 86 Y 8.47 4.11 0.00 2.61 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.63 4.64 0.00 3.12 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 88 E 9.03 4.46 0.00 2.23 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 2.24 2.15 0.00 89 K 8.00 4.66 0.00 1.92 1.87 0.00 1.36 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.42 7.81 90 A 8.90 3.99 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 91 S 8.17 4.09 0.00 4.09 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 0.00 92 E 8.16 3.99 0.00 2.36 2.36 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 2.43 2.39 0.00 93 C 7.53 3.26 0.00 1.85 2.84 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 94 I 8.06 4.16 2.12 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 1.71 1.12 1.20 0.00 0.00 95 E 8.29 4.09 0.00 2.27 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 2.57 2.55 0.00 96 D 7.99 4.33 0.00 2.88 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 97 F 8.05 3.63 0.00 3.00 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 0.00 0.00 0.00 0.00 98 N 8.21 4.64 0.00 3.09 2.96 0.00 0.00 7.05 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 T 8.06 3.90 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 1.21 0.00 0.00 100 M 7.75 3.85 0.00 1.54 1.71 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.26 0.00 101 F 7.15 3.93 0.00 3.11 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 0.00 102 S 8.39 4.26 0.00 4.07 3.98 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 0.00 103 N 8.46 4.29 0.00 2.85 2.86 0.00 0.00 6.69 7.23 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 0.00 104 C 7.77 4.17 0.00 3.04 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 0.00 105 Y 7.70 4.45 0.00 3.09 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 0.00 106 L 8.17 4.01 0.00 1.74 1.94 0.94 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 8.10 4.04 0.00 2.83 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 0.00 108 N 7.72 4.61 0.00 2.97 2.79 0.00 0.00 7.07 6.89 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 0.00 109 K 8.15 4.48 0.00 1.96 1.68 0.00 1.61 0.00 0.00 1.78 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.36 7.81 110 T 8.07 4.13 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 1.18 0.00 0.00 111 G 8.79 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 0.00 112 D 7.62 4.51 0.00 2.97 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 0.00 113 D 8.64 4.31 0.00 2.72 2.65 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 0.00 0.00 0.00 0.00 114 I 7.68 3.60 1.72 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.36 0.93 0.00 0.00 115 V 7.75 3.75 2.31 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 1.19 0.00 0.00 1.12 0.00 0.00 116 V 7.65 3.76 2.17 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 0.97 0.00 0.00 0.98 0.00 0.00 117 M 8.11 4.00 0.00 2.16 2.26 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 1.51 0.00 118 A 8.41 3.89 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 0.00 119 Q 8.92 4.03 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.58 0.00 120 A 8.05 4.02 1.61 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 0.00 0.00 121 L 8.00 3.95 0.00 1.88 1.84 0.74 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.15 3.32 0.00 1.16 1.65 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 0.00 2.08 1.78 0.00 123 K 7.98 3.88 0.00 1.96 1.95 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.43 7.81 124 L 7.88 3.97 0.00 1.84 1.84 0.99 0.97 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 0.00 125 F 8.23 4.07 0.00 3.32 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 0.00 126 M 8.49 3.87 0.00 2.05 2.20 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.65 0.00 127 Q 7.91 3.89 0.00 2.23 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.98 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 128 K 8.15 4.15 0.00 1.68 1.80 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.64 1.55 7.81 129 L 8.01 3.91 0.00 1.25 1.50 0.65 0.59 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 0.00 130 S 7.75 4.19 0.00 4.03 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 0.00 131 Q 7.43 4.36 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.88 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 132 M 7.32 2.55 0.00 1.82 1.63 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.24 0.00 133 P 0.00 4.12 0.00 2.12 1.92 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.85 0.00 134 Q 8.31 4.03 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.02 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 135 E 8.67 3.99 0.00 1.96 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 2.31 2.57 0.00 136 E 8.71 4.11 0.00 2.13 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 2.19 2.27 0.00 * Residues marked with a * may have inaccurate shift predictions.