NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *5 H 4.6813 8.5445 117.3736 54.4137 29.7129 173.1682 *6 H 4.1366 8.6143 112.1171 56.2398 28.2551 169.3313 7 H 4.3711 9.2103 118.5036 56.4551 30.4047 175.1563 8 H 4.7131 10.2375 119.7797 54.5965 29.6504 172.8973 9 H 5.3479 8.3453 119.6878 53.2463 32.4383 174.4194 10 S 4.7682 9.1862 114.3477 58.4208 63.1161 174.9093 11 S 4.7047 7.8701 112.3975 58.0077 64.9365 176.1959 12 G 3.5097 8.1083 111.6320 48.5156 0.0000 175.1622 *22 S 4.3540 7.3213 115.4760 57.9839 64.9382 182.9578 23 D 4.7402 7.6127 120.6546 53.2129 42.1736 176.7081 24 L 4.0918 8.5542 117.8642 57.9279 41.4066 179.5662 25 G 3.6294 8.1453 105.4364 47.9439 0.0000 175.6364 26 K 3.9491 8.1094 121.1396 59.0223 31.9379 179.6629 27 K 4.0309 7.8597 118.8476 59.2343 31.8790 179.2428 28 L 3.9622 8.2257 120.9403 57.9440 41.9730 178.9252 29 L 3.9740 8.1884 119.3017 57.8088 41.5254 179.1847 30 E 3.9140 8.2841 119.0015 59.1588 29.6253 178.6478 31 A 3.9527 8.3553 120.9805 55.0560 18.5511 179.5359 32 A 3.9273 8.2589 119.4537 55.3468 18.2884 179.7690 33 R 4.0605 8.0075 115.8774 59.3110 30.2427 177.7251 34 A 4.4080 8.1417 117.7961 51.3806 19.0133 177.2971 35 G 3.3958 7.4717 104.6560 46.8889 0.0000 175.6507 36 Q 4.3580 7.7285 121.4999 53.5991 27.7319 175.2632 37 D 4.3555 8.2569 125.2627 56.6235 39.6083 178.3691 38 D 4.3253 8.0414 119.8368 56.9422 40.7900 178.3951 39 E 3.9683 8.1191 118.6528 59.3721 29.5412 179.4118 40 V 3.5646 7.7735 118.2046 65.9443 31.6034 178.1237 41 R 3.9097 8.1870 117.9522 59.4182 29.9856 178.9329 42 I 3.6968 7.7598 119.2098 64.5533 37.1437 178.5030 43 L 4.0057 8.0928 119.7204 58.1763 41.4611 179.6304 44 M 4.0561 8.2431 118.3786 58.2299 31.6545 178.5306 45 A 4.0739 7.9279 120.1009 55.0732 18.5107 178.3497 46 N 4.7866 7.8160 112.8374 53.3326 38.9034 176.3091 47 G 3.8818 8.0071 107.8572 45.0627 0.0000 174.3162 48 A 3.9608 7.7884 122.8075 51.9956 18.9429 177.2848 49 D 4.5626 8.5804 122.1294 53.4175 41.2987 177.4978 50 V 3.6704 8.4640 120.4098 63.4354 31.6785 176.7046 51 A 4.4146 8.2678 121.6417 51.5541 19.2292 177.3180 52 A 4.1860 8.0505 120.9802 52.6444 19.0166 177.3044 53 K 5.1136 8.2023 118.8052 54.6460 36.2997 176.5620 54 D 4.8300 8.4334 121.8701 51.9380 42.0189 176.5639 55 K 3.8274 8.8445 117.5794 60.5108 32.1192 177.8613 56 N 4.5667 8.3554 113.4432 53.2829 38.2031 176.2137 57 G 3.7375 8.2810 105.9965 46.2141 0.0000 173.9139 58 S 4.1911 8.2146 116.9419 58.0366 63.6133 174.5052 59 T 5.5000 8.3118 116.8331 59.3461 71.8794 174.0291 60 P 4.2921 0.0000 0.0000 65.5332 31.1998 178.7110 61 L 3.9798 7.8854 118.8753 58.3527 42.0275 178.6143 62 H 4.1871 7.8604 116.2314 58.9315 28.5522 177.8231 63 L 4.0349 8.0219 120.5731 57.6386 41.3416 179.4532 64 A 4.2034 8.1850 120.5602 55.1419 18.3674 179.5724 65 A 3.9155 8.1197 119.2603 55.4593 18.0856 179.9964 66 R 4.1325 8.6313 118.1693 58.0798 29.8013 178.0214 67 N 4.9177 7.6680 113.5740 51.9254 39.0169 174.8748 68 G 3.8720 7.7324 107.5096 47.2139 0.0000 175.6512 69 H 4.6841 8.0492 119.3699 53.7906 27.6400 175.2903 70 L 3.9927 8.1831 125.8338 57.6271 41.7883 178.4345 71 E 3.9183 8.1399 118.5483 59.3614 29.5802 178.8437 72 V 3.5830 7.7568 117.7538 65.9041 31.6561 177.8377 73 V 3.5852 7.8689 117.9838 66.0698 31.3536 178.1627 74 K 4.0044 8.1970 118.1033 59.4400 31.8608 179.3680 75 L 4.0043 8.0968 119.2584 57.7118 41.5605 179.5651 76 L 3.9805 8.2153 119.1831 57.8284 41.5637 179.5608 77 L 4.0140 8.0042 118.8498 57.9662 41.3597 179.5310 78 E 4.0221 8.2467 117.0177 58.6685 29.4541 178.2239 79 A 4.4148 7.6639 118.7864 52.1027 18.8180 177.7475 80 G 3.8425 7.9590 105.7752 45.2870 0.0000 174.0383 81 A 4.0185 7.6618 121.8883 51.3437 18.8076 178.1574 82 D 4.4639 8.5122 121.2459 53.9549 40.7614 178.5815 83 V 3.7440 8.1225 130.6567 61.0051 30.8031 176.0420 *85 A 4.1361 7.9056 121.9323 53.2552 19.6062 176.2728 86 Q 5.1009 8.3147 120.0684 54.0334 31.3628 176.0036 87 D 5.0084 8.4420 121.2414 51.4773 41.4016 177.0115 88 K 3.9453 8.2024 117.8329 59.1957 31.8914 178.0462 *89 F 4.3036 8.4881 116.3778 57.0656 38.7750 176.5518 90 G 3.9349 8.3421 109.1799 45.4876 0.0000 173.3907 91 K 4.7105 7.9909 118.7448 54.8213 34.1093 176.2950 92 T 5.3573 8.9028 114.8595 59.5791 71.9880 175.8486 93 A 4.0220 8.3727 122.2789 55.2357 18.1725 179.6107 94 F 4.0496 8.2099 118.6096 61.6139 39.5715 176.7966 95 D 4.3454 8.4087 118.5122 57.4855 40.5429 178.9706 96 I 3.7554 7.8506 120.3622 64.4849 37.1026 178.6102 97 S 4.0478 8.1057 115.0683 61.3869 62.7380 176.7513 98 I 3.4491 7.4423 123.3472 64.2547 36.6539 177.9904 99 D 4.3335 8.0669 118.7019 57.4349 40.7610 178.2058 100 N 4.0930 8.2861 115.0328 53.0713 38.8201 175.4497 101 G 3.6545 7.5606 107.8840 47.1362 0.0000 174.5238 102 N 4.6616 7.8942 120.1828 51.4621 38.7079 173.4998 103 E 3.9676 8.3524 128.0199 58.7053 29.5581 177.7341 104 D 4.3483 8.1368 118.8527 57.1824 40.9132 178.3541 105 L 3.9813 8.3763 120.5414 58.0809 42.1709 178.7006 106 A 4.0449 7.9720 120.7436 55.4075 18.0529 179.4485 107 E 4.0301 8.2217 116.0198 59.6715 29.5565 179.4071 108 I 3.9395 7.2831 117.9630 63.7470 37.2993 177.5204 109 L 4.4429 7.7387 117.4682 54.8486 41.9660 177.2783 110 Q 4.2041 7.9339 123.1726 56.8574 28.4975 176.4283 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 *5 H 8.54 4.68 0.00 2.95 2.98 0.00 7.19 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *6 H 8.61 4.14 0.00 3.00 2.90 0.00 7.17 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 7 H 9.21 4.37 0.00 3.02 3.06 0.00 5.62 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 H 10.24 4.71 0.00 3.10 3.15 0.00 5.55 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 H 8.35 5.35 0.00 3.12 3.18 0.00 5.69 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 S 9.19 4.77 0.00 3.80 3.78 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 11 S 7.87 4.70 0.00 3.81 3.84 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 12 G 8.11 3.51 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 0.00 0.00 0.00 *22 S 7.32 4.35 0.00 3.67 3.66 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 23 D 7.61 4.74 0.00 2.94 2.88 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 24 L 8.55 4.09 0.00 1.71 1.76 0.97 0.81 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 25 G 8.15 3.63 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 0.00 0.00 0.00 26 K 8.11 3.95 0.00 1.95 1.88 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.63 1.77 7.81 27 K 7.86 4.03 0.00 1.92 1.85 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.46 1.56 7.81 28 L 8.23 3.96 0.00 1.75 1.81 0.92 0.75 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 29 L 8.19 3.97 0.00 1.91 1.71 0.93 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.28 3.91 0.00 2.02 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 2.31 2.47 0.00 31 A 8.36 3.95 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 32 A 8.26 3.93 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 33 R 8.01 4.06 0.00 1.92 2.20 0.00 3.43 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 34 A 8.14 4.41 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 35 G 7.47 3.40 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 0.00 36 Q 7.73 4.36 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.72 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 37 D 8.26 4.36 0.00 2.86 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 38 D 8.04 4.33 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 39 E 8.12 3.97 0.00 2.21 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 2.40 2.36 0.00 40 V 7.77 3.56 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 1.03 0.00 0.00 0.98 0.00 0.00 41 R 8.19 3.91 0.00 2.06 1.97 0.00 3.19 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 42 I 7.76 3.70 1.99 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 1.52 0.80 0.91 0.00 0.00 43 L 8.09 4.01 0.00 1.71 1.72 0.94 1.04 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 44 M 8.24 4.06 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.56 0.00 45 A 7.93 4.07 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.82 4.79 0.00 2.71 2.84 0.00 0.00 7.23 7.56 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 47 G 8.01 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 0.00 0.00 0.00 48 A 7.79 3.96 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 49 D 8.58 4.56 0.00 2.77 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 50 V 8.46 3.67 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 0.74 0.00 0.00 0.93 0.00 0.00 51 A 8.27 4.41 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 A 8.05 4.19 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 53 K 8.20 5.11 0.00 1.70 1.66 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.62 7.81 54 D 8.43 4.83 0.00 2.91 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 55 K 8.84 3.83 0.00 2.02 1.93 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.06 7.81 56 N 8.36 4.57 0.00 2.91 2.78 0.00 0.00 6.98 7.59 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 57 G 8.28 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 58 S 8.21 4.19 0.00 4.24 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 59 T 8.31 5.50 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 1.31 0.00 0.00 60 P 0.00 4.29 0.00 2.19 2.16 0.00 3.82 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 61 L 7.89 3.98 0.00 1.73 1.59 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 62 H 7.86 4.19 0.00 3.47 3.34 0.00 5.87 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 63 L 8.02 4.03 0.00 1.74 1.75 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 64 A 8.18 4.20 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 65 A 8.12 3.92 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 66 R 8.63 4.13 0.00 1.99 2.13 0.00 3.12 0.00 0.00 3.29 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.83 0.00 67 N 7.67 4.92 0.00 2.53 2.62 0.00 0.00 6.98 8.49 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 68 G 7.73 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 69 H 8.05 4.68 0.00 3.19 3.24 0.00 5.63 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 L 8.18 3.99 0.00 1.70 1.74 0.93 0.81 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 71 E 8.14 3.92 0.00 2.08 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 2.38 2.43 0.00 72 V 7.76 3.58 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 1.08 0.00 0.00 0.91 0.00 0.00 73 V 7.87 3.59 2.26 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 0.99 0.00 0.00 1.00 0.00 0.00 74 K 8.20 4.00 0.00 2.00 1.85 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.70 7.81 75 L 8.10 4.00 0.00 1.86 1.72 0.92 0.51 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 76 L 8.22 3.98 0.00 1.81 1.72 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.00 4.01 0.00 1.85 1.72 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.25 4.02 0.00 2.06 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 2.35 2.67 0.00 79 A 7.66 4.41 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 80 G 7.96 3.84 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 0.00 0.00 0.00 81 A 7.66 4.02 1.30 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 0.00 0.00 0.00 82 D 8.51 4.46 0.00 2.63 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 83 V 8.12 3.74 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 0.74 0.00 0.00 0.94 0.00 0.00 *85 A 7.91 4.14 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 86 Q 8.31 5.10 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 87 D 8.44 5.01 0.00 2.94 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 88 K 8.20 3.95 0.00 2.08 1.90 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.29 7.81 *89 F 8.49 4.30 0.00 2.58 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 0.00 0.00 0.00 0.00 90 G 8.34 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 0.00 0.00 0.00 91 K 7.99 4.71 0.00 2.05 1.72 0.00 1.49 0.00 0.00 1.94 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.37 7.81 92 T 8.90 5.36 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 1.26 0.00 0.00 93 A 8.37 4.02 1.32 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 94 F 8.21 4.05 0.00 3.15 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 95 D 8.41 4.35 0.00 3.01 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 96 I 7.85 3.76 2.08 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 1.59 0.84 0.92 0.00 0.00 97 S 8.11 4.05 0.00 4.07 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 98 I 7.44 3.45 1.80 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.83 0.81 0.00 0.00 99 D 8.07 4.33 0.00 2.69 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 0.00 100 N 8.29 4.09 0.00 2.55 2.74 0.00 0.00 7.09 7.22 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 0.00 101 G 7.56 3.65 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 0.00 0.00 0.00 102 N 7.89 4.66 0.00 2.69 2.65 0.00 0.00 6.90 7.70 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 0.00 103 E 8.35 3.97 0.00 2.09 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 2.37 2.57 0.00 104 D 8.14 4.35 0.00 2.92 2.70 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 0.00 105 L 8.38 3.98 0.00 1.75 1.83 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.97 4.04 1.24 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 0.00 0.00 107 E 8.22 4.03 0.00 2.13 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 2.38 2.52 0.00 108 I 7.28 3.94 2.08 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 1.54 0.63 0.93 0.00 0.00 109 L 7.74 4.44 0.00 1.91 1.85 0.98 1.00 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 0.00 110 Q 7.93 4.20 0.00 2.23 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.55 0.00 0.00 0.00 0.00 0.00 2.66 2.40 0.00 * Residues marked with a * may have inaccurate shift predictions.