NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.7103 8.3549 109.6973 45.2056 0.0000 174.6777 2 F 4.2573 7.3277 117.7483 54.5203 39.5267 172.5924 3 P 4.4145 0.0000 0.0000 62.7508 32.7583 175.7068 4 I 4.3377 8.2880 122.6472 59.6096 37.1700 174.0816 5 P 4.2740 0.0000 0.0000 63.2089 31.6572 175.4277 6 D 4.7915 8.4588 121.5939 51.9731 42.8233 173.0356 7 P 4.5330 0.0000 0.0000 62.9733 31.7465 176.5315 8 Y 4.5341 8.8008 120.9906 57.1825 37.1362 174.3499 9 V 4.3553 7.3637 123.5933 59.8290 35.0899 174.7192 10 W 2.5544 8.1549 134.6226 57.0292 31.2647 174.8018 11 D 4.5050 6.6441 121.6491 50.5349 42.2199 174.2479 12 P 3.7123 0.0000 0.0000 65.5876 31.3567 178.6785 13 S 4.0089 7.6607 111.3418 60.1788 62.8622 174.8237 14 F 4.2653 7.2658 118.7398 57.0550 38.9789 175.9211 15 R 4.2585 7.5655 122.8440 56.9891 30.0029 176.1923 16 T 4.1964 9.1232 114.5832 61.3422 70.0238 175.6188 17 F 3.8636 7.6791 119.0542 57.9279 37.1856 174.2375 18 Y 4.5989 7.6610 119.6124 56.0737 39.4531 176.1152 19 S 4.1165 8.8140 121.9728 61.8199 63.0922 176.4014 20 I 3.6489 7.8475 120.2535 64.3210 37.6173 177.5735 21 I 3.7407 7.8328 119.7760 64.6753 37.1668 177.9064 22 D 4.4341 8.3068 119.5926 57.6254 40.4184 178.7728 23 D 4.0605 7.8291 118.1893 57.2900 40.6810 178.3987 24 E 4.0800 8.2514 119.1210 59.6433 29.4350 179.1044 25 H 4.4191 8.3893 116.7091 58.7729 28.6625 177.9727 26 K 4.0914 7.6465 120.2577 59.4951 31.7658 179.4325 27 T 4.0092 7.6752 110.0441 64.5436 68.7611 176.8994 28 L 4.0472 7.7897 121.5783 57.5522 41.6698 179.1543 29 F 4.1282 8.2086 117.4264 60.5547 38.9621 177.2152 30 N 4.4946 8.3300 116.6158 56.5577 38.6795 177.1527 31 G 3.6808 8.2789 107.1712 48.0850 0.0000 175.8510 32 I 3.8072 7.9352 122.6374 63.5812 36.7150 178.1635 33 F 4.1623 8.7355 121.9679 62.0065 39.1798 177.0869 34 H 4.1136 8.3553 115.0484 58.6119 28.2510 177.8088 35 L 4.1451 7.6790 119.8558 57.7406 41.4795 179.0971 36 A 4.1434 7.7808 119.8601 54.6413 18.2718 179.5311 37 I 4.1115 6.8358 117.5602 62.6417 37.7279 176.1523 38 D 4.6443 8.1284 123.4213 52.3697 42.1565 175.3380 39 D 4.7689 8.4355 129.5464 52.9975 39.6599 173.8846 40 N 5.0441 7.6323 120.8375 49.8859 42.1371 175.0490 41 A 3.9505 8.3705 121.0411 55.4867 18.4634 179.4725 42 D 4.2602 7.9913 116.8960 57.5579 41.0719 178.6036 43 N 4.3781 8.0173 116.5995 56.0130 38.7009 177.1562 44 L 3.7911 8.1297 122.1474 57.9371 42.0470 179.3111 45 G 3.5958 8.2821 106.0149 47.4174 0.0000 175.3389 46 E 3.8628 8.0070 121.3327 59.0063 29.6762 178.5877 47 L 3.8450 7.6343 119.9996 58.1220 42.0914 178.6574 48 R 3.6724 8.1602 118.9247 59.4326 29.8540 178.2547 49 R 3.7997 8.0641 118.3266 59.7325 30.0449 178.1313 50 C 4.0707 7.9361 116.3650 63.1773 28.0375 176.4277 51 T 3.5977 8.5152 117.6654 66.3419 67.9924 177.0412 52 G 3.5452 8.2004 108.0317 47.6415 0.0000 175.6788 53 K 3.9476 8.2961 122.7197 59.2784 32.2652 178.2535 54 H 4.4321 8.3658 120.1659 58.8739 29.8025 176.9833 55 F 4.3447 8.3363 119.7253 60.6369 38.7116 177.5000 56 L 4.0561 8.0814 119.6677 58.3846 41.9633 178.6926 57 N 4.3276 8.4867 116.7365 56.4265 38.3965 177.0731 58 E 3.8882 8.7653 121.0592 59.2828 29.6261 178.8788 59 Q 4.2192 8.4414 118.3596 58.9921 28.8745 178.8723 60 V 3.5747 8.0498 119.5480 65.7244 30.0216 177.9515 61 L 3.8794 7.7984 120.2835 58.2069 41.9330 178.7728 62 M 4.0665 8.1418 118.8865 58.6344 31.8983 178.8741 63 Q 3.9929 8.4105 118.0373 58.5333 28.5541 178.5095 64 A 4.0555 7.6058 120.5260 54.0511 18.3088 178.1900 65 S 4.5463 7.0426 109.5513 57.4245 64.2361 174.3558 66 Q 3.1864 8.0693 118.0074 56.1802 26.5370 174.2630 67 Y 4.3233 8.3791 118.1631 58.2543 39.6941 176.6856 68 Q 3.5966 8.5901 128.0185 58.5565 29.3837 176.9114 69 F 4.8473 5.4600 115.5305 57.2953 39.9312 177.4566 70 Y 4.2473 7.6113 123.9290 60.9690 38.6133 176.7642 71 D 4.2969 8.2024 119.5419 57.4024 40.9197 178.4786 72 E 4.0269 8.2107 117.6100 59.6516 29.5987 178.5370 73 H 4.1225 8.1614 118.8043 58.8730 29.9004 177.1772 74 K 3.7743 8.1411 124.2043 59.9156 32.0751 179.5810 75 K 4.2018 8.0304 124.0481 59.6883 31.6719 181.2165 76 E 4.3913 7.9090 119.2883 59.8268 29.4745 178.9371 77 H 3.7270 8.0351 116.0887 59.0596 28.6771 177.6028 78 E 4.1591 8.6249 122.7068 60.2923 29.3679 180.1924 *79 T 3.8696 7.8777 114.1589 66.1071 68.5669 178.4896 80 F 4.1978 7.9552 123.3917 61.0015 39.2283 177.2094 81 I 3.5764 8.0703 119.4959 64.6248 36.7763 177.7951 82 H 4.0528 8.5700 119.0359 59.2645 29.2467 177.1627 83 A 3.9026 7.7989 122.1447 55.1762 17.9820 179.6724 84 L 3.8487 7.5287 116.5011 57.5704 41.7206 178.6993 85 D 4.6001 7.9049 116.6185 54.9491 42.0492 176.0131 86 N 5.0048 7.5459 116.5427 51.6699 39.3686 175.0616 87 W 4.4974 8.2325 129.6192 57.8574 31.6201 175.8746 88 K 4.1349 7.5252 125.5071 53.8486 32.2422 173.2121 89 G 3.5261 5.3800 105.3288 47.1405 0.0000 175.5297 90 D 4.5557 6.2640 123.3480 53.2156 38.8169 177.2659 91 V 4.0790 7.8633 124.6954 65.2795 32.1152 177.7772 92 K 4.1116 8.1421 119.3901 59.3444 32.1026 178.4779 93 W 4.1686 8.6933 128.3232 60.4974 30.6653 177.6939 94 A 4.1386 8.5143 120.4510 55.1626 17.8236 179.7361 95 K 3.5926 8.2034 118.4598 59.0404 32.1086 179.5786 96 S 4.1239 8.0118 113.3817 60.8909 62.2001 175.8389 97 W 3.5117 8.1494 131.4706 60.1669 30.3506 177.6689 98 L 3.6700 7.7850 120.1282 57.9498 41.5096 178.8677 99 V 3.7262 7.4405 117.7240 66.4651 31.5402 177.8778 100 N 4.4275 8.1279 115.9548 56.2554 38.3012 177.0672 101 H 3.5564 7.6860 120.0514 58.8754 29.7715 177.4682 102 I 3.7349 7.3312 122.7770 63.9283 36.8383 178.6808 103 K 2.4800 7.3104 117.3326 57.6359 31.6312 178.4279 104 T 4.3526 7.2584 108.5625 62.8838 70.3314 176.1755 105 I 3.8564 7.0317 121.6757 63.6640 37.3379 177.7729 106 D 3.9473 7.9928 119.9295 57.3161 40.6567 178.9352 107 F 4.3966 8.0547 118.0351 60.3584 38.5892 177.7223 108 K 4.2329 7.6625 117.6581 58.5874 32.0164 177.6666 109 Y 4.5213 7.4271 116.9246 55.5571 38.1677 175.3437 110 K 4.4038 7.6077 121.6349 58.4217 32.4258 177.2979 111 G 4.0378 9.0986 111.3207 45.9232 0.0000 173.9121 112 K 4.6739 8.5488 117.3690 55.8377 33.7254 176.3331 113 I 4.1573 7.6501 117.4246 60.9659 37.5939 174.9021 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 G 8.35 3.71 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 0.00 0.00 0.00 2 F 7.33 4.26 0.00 3.15 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 3 P 0.00 4.41 0.00 2.23 2.10 0.00 3.92 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.02 0.00 4 I 8.29 4.34 2.01 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.93 1.18 0.00 0.00 5 P 0.00 4.27 0.00 2.04 1.90 0.00 3.82 0.00 0.00 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.21 0.00 6 D 8.46 4.79 0.00 2.67 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 7 P 0.00 4.53 0.00 2.36 2.25 0.00 3.87 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 8 Y 8.80 4.53 0.00 3.16 3.28 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 9 V 7.36 4.36 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 0.74 0.00 0.00 0.75 0.00 0.00 10 W 8.15 2.55 0.00 2.83 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 11 D 6.64 4.50 0.00 2.63 2.44 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 0.00 0.00 0.00 0.00 12 P 0.00 3.71 0.00 2.03 2.09 0.00 3.37 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 13 S 7.66 4.01 0.00 3.65 3.71 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 14 F 7.27 4.27 0.00 2.32 3.07 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 15 R 7.57 4.26 0.00 1.79 1.46 0.00 2.88 0.00 0.00 2.95 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.52 0.00 16 T 9.12 4.20 4.78 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 1.70 0.00 0.00 17 F 7.68 3.86 0.00 3.02 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 18 Y 7.66 4.60 0.00 3.06 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 19 S 8.81 4.12 0.00 3.89 3.93 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 I 7.85 3.65 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.36 0.96 0.00 0.00 21 I 7.83 3.74 2.21 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 1.67 0.76 1.06 0.00 0.00 22 D 8.31 4.43 0.00 2.82 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 7.83 4.06 0.00 2.71 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 24 E 8.25 4.08 0.00 2.18 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 2.35 2.52 0.00 25 H 8.39 4.42 0.00 3.47 3.71 0.00 5.64 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 7.65 4.09 0.00 1.79 1.68 0.00 1.16 0.00 0.00 1.24 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.65 0.46 7.81 27 T 7.68 4.01 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 1.24 0.00 0.00 28 L 7.79 4.05 0.00 1.75 1.70 0.95 1.15 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 29 F 8.21 4.13 0.00 3.23 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 30 N 8.33 4.49 0.00 2.95 3.02 0.00 0.00 7.13 9.28 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 31 G 8.28 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.94 3.81 2.05 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 1.45 0.96 0.65 0.00 0.00 33 F 8.74 4.16 0.00 3.60 3.22 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 34 H 8.36 4.11 0.00 3.42 3.39 0.00 5.87 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.68 4.15 0.00 1.84 1.76 0.38 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.78 4.14 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 37 I 6.84 4.11 1.93 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.35 0.88 0.00 0.00 38 D 8.13 4.64 0.00 2.56 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 39 D 8.44 4.77 0.00 2.97 2.64 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 40 N 7.63 5.04 0.00 2.95 2.91 0.00 0.00 5.99 7.04 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 41 A 8.37 3.95 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 42 D 7.99 4.26 0.00 2.76 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 43 N 8.02 4.38 0.00 2.78 2.85 0.00 0.00 6.77 6.74 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 44 L 8.13 3.79 0.00 1.56 1.69 0.09 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 45 G 8.28 3.60 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 0.00 0.00 0.00 46 E 8.01 3.86 0.00 2.24 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 47 L 7.63 3.84 0.00 1.75 1.64 1.00 0.57 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 48 R 8.16 3.67 0.00 1.84 1.97 0.00 3.05 0.00 0.00 2.91 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 49 R 8.06 3.80 0.00 1.86 2.02 0.00 3.14 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 50 C 7.94 4.07 0.00 3.20 2.94 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 0.00 51 T 8.52 3.60 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 0.49 0.00 0.00 52 G 8.20 3.55 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 0.00 0.00 0.00 53 K 8.30 3.95 0.00 1.82 1.92 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.52 7.81 54 H 8.37 4.43 0.00 3.34 3.32 0.00 5.89 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 F 8.34 4.34 0.00 3.09 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 56 L 8.08 4.06 0.00 1.93 1.86 1.00 0.77 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 57 N 8.49 4.33 0.00 3.02 2.87 0.00 0.00 6.73 8.10 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 58 E 8.77 3.89 0.00 2.04 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 2.21 2.30 0.00 59 Q 8.44 4.22 0.00 2.55 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 60 V 8.05 3.57 2.24 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 0.98 0.00 0.00 1.00 0.00 0.00 61 L 7.80 3.88 0.00 1.68 1.54 0.81 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 62 M 8.14 4.07 0.00 2.47 2.48 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.18 0.00 63 Q 8.41 3.99 0.00 2.07 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 1.40 2.17 0.00 64 A 7.61 4.06 1.34 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 0.00 0.00 65 S 7.04 4.55 0.00 3.81 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 66 Q 8.07 3.19 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.71 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 67 Y 8.38 4.32 0.00 2.96 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 68 Q 8.59 3.60 0.00 1.63 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.33 0.00 0.00 0.00 0.00 0.00 1.16 1.81 0.00 69 F 5.46 4.85 0.00 2.91 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 70 Y 7.61 4.25 0.00 3.17 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 71 D 8.20 4.30 0.00 2.78 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 72 E 8.21 4.03 0.00 2.26 2.27 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 2.49 2.73 0.00 73 H 8.16 4.12 0.00 3.61 3.40 0.00 5.61 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.14 3.77 0.00 1.24 1.67 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.25 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.35 7.81 75 K 8.03 4.20 0.00 1.83 1.81 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.35 7.81 76 E 7.91 4.39 0.00 2.24 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 0.00 2.61 2.51 0.00 77 H 8.04 3.73 0.00 3.26 3.09 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.62 4.16 0.00 2.21 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 2.40 2.56 0.00 *79 T 7.88 3.87 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 80 F 7.96 4.20 0.00 1.51 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 81 I 8.07 3.58 2.09 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.90 0.92 0.00 0.00 82 H 8.57 4.05 0.00 3.36 3.50 0.00 5.78 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 7.80 3.90 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 84 L 7.53 3.85 0.00 1.51 1.46 -0.06 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 85 D 7.90 4.60 0.00 2.63 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 N 7.55 5.00 0.00 2.53 2.61 0.00 0.00 6.89 7.60 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 87 W 8.23 4.50 0.00 3.37 2.96 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 88 K 7.53 4.13 0.00 1.77 1.61 0.00 1.94 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.24 0.96 7.81 89 G 5.38 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 D 6.26 4.56 0.00 2.46 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 91 V 7.86 4.08 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 0.76 0.00 0.00 0.93 0.00 0.00 92 K 8.14 4.11 0.00 1.87 2.10 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.59 1.56 7.81 93 W 8.69 4.17 0.00 3.72 3.50 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 94 A 8.51 4.14 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 0.00 0.00 0.00 0.00 0.00 95 K 8.20 3.59 0.00 1.84 1.61 0.00 1.54 0.00 0.00 1.45 0.00 0.00 2.59 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.30 1.15 7.81 96 S 8.01 4.12 0.00 3.93 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 0.00 97 W 8.15 3.51 0.00 2.20 2.67 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 98 L 7.79 3.67 0.00 1.63 1.47 0.79 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 0.00 0.00 0.00 0.00 99 V 7.44 3.73 2.33 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 1.20 0.00 0.00 1.24 0.00 0.00 100 N 8.13 4.43 0.00 2.63 2.73 0.00 0.00 6.75 7.74 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 0.00 101 H 7.69 3.56 0.00 1.40 2.60 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 7.33 3.73 1.88 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.92 0.97 0.00 0.00 103 K 7.31 2.48 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.17 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.45 7.81 104 T 7.26 4.35 4.20 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 1.39 0.00 0.00 105 I 7.03 3.86 1.44 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 1.38 0.79 0.54 0.00 0.00 106 D 7.99 3.95 0.00 2.65 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 0.00 107 F 8.05 4.40 0.00 2.97 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 0.00 108 K 7.66 4.23 0.00 1.96 2.05 0.00 1.65 0.00 0.00 1.78 0.00 0.00 3.12 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.74 1.54 7.81 109 Y 7.43 4.52 0.00 2.53 2.24 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 0.00 110 K 7.61 4.40 0.00 1.95 1.89 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.77 1.46 7.81 111 G 9.10 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 0.00 0.00 0.00 112 K 8.55 4.67 0.00 2.03 2.07 0.00 2.07 0.00 0.00 2.08 0.00 0.00 3.09 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.69 7.81 113 I 7.65 4.16 1.68 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 -0.30 0.62 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.