NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 H 5.1495 8.4444 117.8170 54.7883 29.8584 173.6771 6 H 4.6261 9.5990 128.3881 54.9569 31.6009 175.0518 *22 M 4.6256 9.4420 116.2940 54.8837 33.1939 173.9093 23 L 3.9256 8.3651 125.0001 54.5736 42.5612 176.5517 24 Q 4.2854 8.2729 123.7271 56.1615 30.0582 174.6273 25 H 4.9701 8.9743 123.9832 55.5785 30.0229 174.5466 26 L 4.6720 8.7873 122.6534 53.0068 43.2138 176.2387 27 N 4.9632 8.6494 120.3222 52.6669 39.2881 174.9628 28 S 4.8021 7.6041 111.7822 56.3655 66.5039 176.0686 29 G 3.9255 8.6054 111.5697 47.1248 0.0000 175.6141 30 W 4.1486 8.4337 129.9402 60.4599 30.6562 177.6858 31 A 3.9875 8.4134 120.5677 55.0929 17.8191 179.7274 32 V 3.1909 7.9326 116.5987 66.1589 31.5503 177.6772 33 D 4.2486 8.2434 118.8147 57.7370 40.6895 179.2164 34 Q 3.5329 7.6758 117.9699 58.7257 28.3423 178.7451 35 A 3.7443 7.4750 120.8164 54.7989 18.4401 179.6499 36 I 3.6319 7.2318 118.2712 64.6588 37.0804 179.1063 37 V 3.6012 7.7028 111.4646 63.4515 31.4539 177.4362 38 N 4.7950 7.7707 114.4139 52.3789 38.9372 174.4113 39 E 4.3537 7.2592 121.5810 55.0961 29.5226 175.0551 40 D 4.5785 8.5850 126.2901 55.0096 42.2242 177.6533 41 E 4.4953 8.4882 117.2010 57.8517 30.5738 176.2445 42 R 5.0496 8.1515 115.7902 54.0311 32.7673 176.2189 43 L 4.5932 9.0168 123.8725 55.7003 43.5629 175.7764 44 V 4.8198 9.4735 126.4457 61.6164 33.6105 173.7200 45 C 4.9572 9.3258 129.1297 57.7255 33.7054 172.1585 46 I 4.6000 8.5248 127.8366 59.4643 39.4302 174.8078 47 R 4.3539 8.6378 128.8801 54.9342 30.9696 175.0012 48 F 4.9908 8.8915 127.2485 56.7503 40.2461 175.5553 49 G 4.3518 9.0694 110.2518 45.4214 0.0000 171.7725 50 H 5.0605 8.7075 118.1360 54.2656 27.7086 176.0985 51 D 4.4010 8.7070 126.1923 57.4048 40.9223 179.1464 52 Y 4.2361 7.6716 115.6780 59.1702 38.6112 176.3419 53 D 4.4108 7.3443 120.9164 53.6482 42.8310 175.1102 54 P 4.2576 0.0000 0.0000 65.9210 31.3221 178.6803 55 D 4.4617 8.7155 118.0989 57.2659 40.6018 178.3583 56 C 4.0377 8.0629 118.8112 62.7010 31.7537 175.2765 57 M 4.0468 8.2788 120.5682 58.2741 31.3136 178.8152 58 K 3.8866 8.5264 118.8911 59.7607 32.2313 178.9179 59 M 3.8684 8.1091 118.3539 58.8451 32.0260 177.9309 60 D 4.2794 8.3533 119.1729 57.3209 40.9418 178.5881 61 E 4.0065 8.1556 119.0565 59.2733 29.5955 179.1633 62 L 3.8300 7.5317 120.0732 58.1633 42.0937 178.8712 63 L 3.7234 7.7836 118.9652 58.1167 41.2856 179.2314 64 Y 3.8899 7.9506 115.5990 60.9792 37.8436 178.5642 65 K 4.1673 7.9278 118.6602 58.7628 32.5366 178.8935 66 V 4.1533 7.6375 110.4355 61.6787 31.9637 177.8816 67 A 3.8674 7.5095 120.5413 55.1744 18.0614 178.8292 68 D 4.3218 7.9458 115.9472 57.5138 41.2034 177.7924 69 D 4.4205 8.1108 118.1901 56.7728 41.1697 177.8131 70 I 3.5367 7.3054 110.9845 60.3461 37.7239 177.4810 71 K 4.0479 7.1908 122.2213 59.5473 32.3136 178.4613 72 N 4.5116 7.9124 116.9522 55.0426 38.8279 175.1103 73 F 4.5566 7.4008 112.6226 56.1096 39.3982 174.5515 74 C 5.1205 7.2191 120.1206 58.3222 35.1404 172.3893 75 V 4.3728 8.6423 125.9343 59.8901 33.5422 174.4776 76 I 4.7894 7.8510 124.4376 59.6934 39.2380 174.4955 77 Y 4.8644 8.8996 123.6858 56.1041 41.9712 174.3552 78 L 4.9592 8.5875 121.9079 52.9812 44.8033 175.7661 79 V 4.5494 8.4708 122.4424 61.1956 34.9205 173.8198 80 D 5.6638 9.1612 128.3982 52.5381 41.2527 176.4453 81 I 4.6611 8.9814 120.6121 62.4325 37.5046 177.5932 82 T 4.1333 8.3560 113.5059 64.1595 69.1309 175.5882 83 E 4.2929 8.3112 120.3987 57.5477 30.3393 176.2522 84 V 4.3250 8.1779 119.6633 60.3853 31.5949 173.2300 85 P 4.8821 0.0000 0.0000 62.2366 32.2479 178.3368 86 D 4.0584 7.8646 120.3954 56.8866 40.8214 177.6247 87 F 4.7388 7.4996 115.2802 57.0411 39.8767 176.9911 88 N 4.2578 8.1618 121.5972 56.3088 38.8617 177.6363 89 T 3.8671 7.8336 108.0296 64.5255 69.6799 176.0961 90 M 3.6376 7.9587 120.7883 58.2015 31.8676 176.5067 91 Y 4.8099 7.8620 112.4576 56.8717 38.7597 175.8820 92 E 3.8990 7.7383 117.9458 57.6014 27.4501 177.5736 93 L 4.4055 7.9997 118.5016 53.9885 40.6101 176.5181 94 Y 4.3626 8.1325 119.1771 58.4143 39.5276 176.2506 95 D 4.8409 7.9442 118.7766 52.6688 42.1447 174.7264 96 P 4.2099 0.0000 0.0000 65.0658 32.7854 176.3130 97 V 4.7711 7.6273 119.7882 60.0723 35.0290 174.6244 98 S 4.8843 9.1497 120.1880 56.8847 66.6320 172.9812 99 V 4.4226 8.8817 126.5178 61.9911 32.7356 174.8334 100 M 4.9799 8.6627 126.4796 53.4428 36.5448 174.3154 101 F 5.3922 8.1756 118.0226 55.8408 43.4053 174.0394 102 F 5.3595 9.6594 120.8277 55.9110 43.3761 173.1913 103 Y 4.9092 9.0761 123.7610 56.1184 41.5467 175.6866 104 R 3.6701 9.1121 127.1182 57.3756 27.8944 176.4589 105 N 4.4222 8.0882 112.8577 53.5124 38.4385 172.3651 106 K 4.5830 7.9366 119.2012 55.2509 33.3483 174.7911 107 H 4.2650 8.9725 126.5970 56.4785 30.0962 173.9904 108 M 4.4895 8.4429 127.7876 54.9214 32.9197 176.0656 109 M 4.5405 8.8474 123.4625 54.4977 34.7660 175.4971 110 I 4.5162 8.8190 121.8123 59.3234 41.3984 174.0168 111 D 4.8528 9.2392 131.5494 53.7237 41.3350 176.0823 112 L 5.1863 8.3325 125.3014 53.3550 43.1001 178.4093 113 G 4.0881 9.1617 107.3065 46.8457 0.0000 174.4408 114 T 4.1416 7.8884 108.2460 60.8714 69.5744 175.9380 115 G 3.8166 8.3080 109.7813 45.5713 0.0000 172.8177 116 N 4.8260 7.8228 117.7507 51.9544 38.9626 173.7055 117 N 5.3237 8.4720 122.0552 53.2838 39.2663 177.1431 118 N 4.5865 8.5399 116.5904 55.3291 39.0530 175.2126 119 K 4.6038 7.6636 114.2085 55.8234 35.2514 175.2624 120 I 3.9274 8.5191 122.3795 60.2358 36.7862 176.1741 121 N 5.9011 8.9686 124.9042 51.0018 37.7859 174.3392 122 W 5.2863 7.3179 113.8600 54.6775 31.3967 172.5835 123 P 4.2083 0.0000 0.0000 63.1106 31.3391 175.9444 124 M 4.6319 8.1191 122.2624 54.1509 33.6232 175.4928 125 N 4.8397 8.4520 114.5854 51.4998 39.2049 174.2426 126 N 4.6905 8.0422 118.6832 52.2965 39.8157 174.6958 127 K 3.9165 8.6175 129.4772 59.9041 32.3883 178.2882 128 Q 4.0622 8.2010 119.2154 59.0847 29.0631 177.6463 129 E 4.0581 8.8260 119.8885 59.3722 29.4669 179.1657 130 F 4.0331 8.3154 120.4730 61.3229 39.4567 176.9132 131 I 3.7368 7.9738 119.5038 64.8393 36.8976 178.0198 132 D 4.3269 8.4715 119.6594 57.3576 40.5452 178.8884 133 I 3.5384 7.6536 120.2334 64.2967 37.0504 178.6229 134 V 3.1102 7.5514 119.2127 65.8063 31.2707 177.5426 135 E 3.5911 8.4035 119.2917 59.4748 29.3204 178.8289 136 T 3.7377 7.9325 115.7313 66.7147 68.5557 176.4430 137 I 3.4819 7.6776 121.7765 64.2733 37.0393 178.1318 138 F 4.0279 8.2136 121.2643 61.4689 38.8834 177.3268 139 R 3.6591 8.1774 117.9311 58.9748 29.8065 179.3854 140 G 3.4407 8.1528 105.4164 47.7615 0.0000 175.3517 141 A 3.9386 8.0270 124.2130 55.0430 18.0065 179.8612 142 R 3.5397 7.2647 114.6827 58.0989 30.1728 178.3089 143 K 4.2580 7.1410 115.2663 56.0444 32.3709 177.5147 144 G 3.9206 7.8030 107.7222 45.5829 0.0000 174.1239 145 R 4.1123 7.6718 118.3071 55.9604 30.6610 176.8056 146 G 4.0352 8.5080 106.9501 46.4904 0.0000 172.8105 147 L 5.3092 7.7070 121.3439 53.4979 45.3027 175.5755 148 V 4.5607 8.4727 117.9661 59.5373 35.8551 174.4430 149 I 4.7421 8.1395 123.7439 59.9529 38.3489 176.0790 150 S 4.4104 9.0514 123.0529 57.5539 63.7178 173.7701 151 P 4.2791 0.0000 0.0000 64.7143 31.1666 175.8469 152 K 4.3259 7.7674 118.5316 55.2607 35.0583 174.1336 153 D 4.5154 8.3633 125.3024 53.9021 42.0121 175.7875 154 Y 4.2616 9.2805 124.4682 58.1730 38.2428 175.4463 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 8.44 5.15 0.00 3.15 3.42 0.00 5.67 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 H 9.60 4.63 0.00 3.23 2.92 0.00 5.98 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *22 M 9.44 4.63 0.00 2.17 2.06 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.82 0.00 23 L 8.37 3.93 0.00 1.35 1.26 -0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 8.27 4.29 0.00 2.20 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.10 0.00 0.00 0.00 0.00 0.00 2.70 2.66 0.00 25 H 8.97 4.97 0.00 3.10 3.26 0.00 5.91 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.79 4.67 0.00 1.43 1.54 0.30 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.65 4.96 0.00 2.73 2.85 0.00 0.00 6.96 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 28 S 7.60 4.80 0.00 4.11 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 29 G 8.61 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 30 W 8.43 4.15 0.00 3.43 3.23 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 31 A 8.41 3.99 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 32 V 7.93 3.19 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 0.39 0.00 0.00 1.07 0.00 0.00 33 D 8.24 4.25 0.00 2.67 2.56 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 34 Q 7.68 3.53 0.00 1.54 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 35 A 7.47 3.74 0.46 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 36 I 7.23 3.63 1.56 0.00 0.00 -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 0.88 0.38 0.64 0.00 0.00 37 V 7.70 3.60 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 0.81 0.00 0.00 0.82 0.00 0.00 38 N 7.77 4.79 0.00 2.70 2.80 0.00 0.00 6.87 7.82 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 39 E 7.26 4.35 0.00 2.06 1.88 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 2.37 2.46 0.00 40 D 8.59 4.58 0.00 2.69 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 41 E 8.49 4.50 0.00 2.16 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 2.32 2.36 0.00 42 R 8.15 5.05 0.00 1.79 1.98 0.00 3.12 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 43 L 9.02 4.59 0.00 2.19 1.82 1.17 0.86 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 44 V 9.47 4.82 2.38 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 1.09 0.00 0.00 1.09 0.00 0.00 45 C 9.33 4.96 0.00 3.06 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 46 I 8.52 4.60 1.55 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.49 -0.34 0.00 0.00 47 R 8.64 4.35 0.00 1.62 1.64 0.00 3.16 0.00 0.00 3.09 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.59 0.00 48 F 8.89 4.99 0.00 3.15 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 49 G 9.07 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 0.00 0.00 0.00 0.00 50 H 8.71 5.06 0.00 2.82 2.68 0.00 5.66 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 D 8.71 4.40 0.00 2.86 2.80 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 0.00 0.00 0.00 0.00 52 Y 7.67 4.24 0.00 3.07 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 53 D 7.34 4.41 0.00 2.42 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 54 P 0.00 4.26 0.00 2.23 2.12 0.00 3.70 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 55 D 8.72 4.46 0.00 2.86 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 56 C 8.06 4.04 0.00 3.05 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 57 M 8.28 4.05 0.00 2.10 2.25 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 2.91 2.61 0.00 58 K 8.53 3.89 0.00 1.89 1.85 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.67 7.81 59 M 8.11 3.87 0.00 2.00 1.93 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 60 D 8.35 4.28 0.00 2.89 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 61 E 8.16 4.01 0.00 2.19 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 2.54 0.00 62 L 7.53 3.83 0.00 1.60 1.63 0.86 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.78 3.72 0.00 1.60 1.41 0.74 0.46 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 64 Y 7.95 3.89 0.00 3.16 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 K 7.93 4.17 0.00 1.93 1.88 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.67 7.81 66 V 7.64 4.15 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 1.08 0.00 0.00 1.08 0.00 0.00 67 A 7.51 3.87 1.18 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 0.00 0.00 68 D 7.95 4.32 0.00 2.78 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 69 D 8.11 4.42 0.00 2.84 2.76 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 70 I 7.31 3.54 0.87 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 1.53 0.66 0.91 0.00 0.00 71 K 7.19 4.05 0.00 1.81 2.04 0.00 1.54 0.00 0.00 1.61 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.26 7.81 72 N 7.91 4.51 0.00 2.75 3.00 0.00 0.00 6.70 7.45 0.00 0.00 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 F 7.40 4.56 0.00 1.51 2.37 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 74 C 7.22 5.12 0.00 2.81 2.39 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 75 V 8.64 4.37 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 0.85 0.00 0.00 0.43 0.00 0.00 76 I 7.85 4.79 1.58 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 1.26 0.49 0.67 0.00 0.00 77 Y 8.90 4.86 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 78 L 8.59 4.96 0.00 1.06 1.26 0.82 0.39 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 79 V 8.47 4.55 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 1.22 0.00 0.00 0.71 0.00 0.00 80 D 9.16 5.66 0.00 3.10 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 81 I 8.98 4.66 2.18 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 1.09 1.92 1.20 0.00 0.00 82 T 8.36 4.13 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 1.29 0.00 0.00 83 E 8.31 4.29 0.00 2.18 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 2.33 2.27 0.00 84 V 8.18 4.33 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 1.22 0.00 0.00 1.02 0.00 0.00 85 P 0.00 4.88 0.00 2.20 2.24 0.00 3.73 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 86 D 7.86 4.06 0.00 1.58 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 0.00 0.00 0.00 87 F 7.50 4.74 0.00 2.90 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 88 N 8.16 4.26 0.00 2.74 2.72 0.00 0.00 6.76 6.37 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 89 T 7.83 3.87 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 1.14 0.00 0.00 90 M 7.96 3.64 0.00 1.60 1.90 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.15 0.00 91 Y 7.86 4.81 0.00 2.84 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 92 E 7.74 3.90 0.00 2.26 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 2.37 2.53 0.00 93 L 8.00 4.41 0.00 1.50 1.60 0.44 0.77 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 94 Y 8.13 4.36 0.00 3.01 3.06 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 0.00 0.00 0.00 95 D 7.94 4.84 0.00 2.73 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 96 P 0.00 4.21 0.00 2.15 2.37 0.00 3.68 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 97 V 7.63 4.77 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 0.77 0.00 0.00 0.83 0.00 0.00 98 S 9.15 4.88 0.00 3.86 3.83 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 99 V 8.88 4.42 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 0.68 0.00 0.00 0.75 0.00 0.00 100 M 8.66 4.98 0.00 1.56 1.91 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.55 0.00 101 F 8.18 5.39 0.00 2.78 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 0.00 102 F 9.66 5.36 0.00 2.91 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 0.00 103 Y 9.08 4.91 0.00 3.10 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 0.00 104 R 9.11 3.67 0.00 1.62 1.78 0.00 3.09 0.00 0.00 3.01 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.53 0.00 105 N 8.09 4.42 0.00 2.99 3.02 0.00 0.00 6.59 6.75 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 0.00 106 K 7.94 4.58 0.00 1.74 1.92 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.24 7.81 107 H 8.97 4.27 0.00 3.24 3.28 0.00 5.79 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 0.00 108 M 8.44 4.49 0.00 1.85 2.06 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.73 0.00 109 M 8.85 4.54 0.00 1.88 1.97 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.65 0.00 110 I 8.82 4.52 1.77 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.39 0.96 0.00 0.00 111 D 9.24 4.85 0.00 2.76 2.59 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 0.00 112 L 8.33 5.19 0.00 1.93 2.12 1.16 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 113 G 9.16 4.09 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 0.00 0.00 0.00 114 T 7.89 4.14 4.16 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 0.99 0.00 0.00 115 G 8.31 3.82 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 0.00 0.00 0.00 116 N 7.82 4.83 0.00 2.73 2.85 0.00 0.00 7.12 8.38 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 0.00 117 N 8.47 5.32 0.00 2.82 2.84 0.00 0.00 7.64 6.92 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 0.00 118 N 8.54 4.59 0.00 2.95 2.98 0.00 0.00 6.73 6.98 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 0.00 119 K 7.66 4.60 0.00 1.83 1.75 0.00 1.66 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.55 7.81 120 I 8.52 3.93 1.66 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.73 -0.27 0.00 0.00 121 N 8.97 5.90 0.00 3.04 2.95 0.00 0.00 6.15 8.88 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 0.00 122 W 7.32 5.29 0.00 3.35 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 0.00 123 P 0.00 4.21 0.00 2.21 2.31 0.00 3.95 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 2.08 2.21 0.00 124 M 8.12 4.63 0.00 2.04 1.90 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.28 0.00 125 N 8.45 4.84 0.00 2.78 2.87 0.00 0.00 5.96 8.04 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 0.00 126 N 8.04 4.69 0.00 2.87 2.88 0.00 0.00 6.78 6.02 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 0.00 127 K 8.62 3.92 0.00 1.89 1.83 0.00 1.79 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.56 1.55 7.81 128 Q 8.20 4.06 0.00 2.25 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.68 0.00 0.00 0.00 0.00 0.00 2.46 2.55 0.00 129 E 8.83 4.06 0.00 2.39 2.23 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 2.45 2.60 0.00 130 F 8.32 4.03 0.00 3.20 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 0.00 131 I 7.97 3.74 2.10 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 1.63 0.83 1.02 0.00 0.00 132 D 8.47 4.33 0.00 2.84 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 0.00 133 I 7.65 3.54 1.67 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 1.44 0.88 0.58 0.00 0.00 134 V 7.55 3.11 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 1.08 0.00 0.00 0.44 0.00 0.00 135 E 8.40 3.59 0.00 2.01 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 2.11 1.87 0.00 136 T 7.93 3.74 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 1.13 0.00 0.00 137 I 7.68 3.48 1.57 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.37 0.65 0.00 0.00 138 F 8.21 4.03 0.00 3.19 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 0.00 139 R 8.18 3.66 0.00 1.94 1.82 0.00 3.06 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 140 G 8.15 3.44 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 0.00 0.00 0.00 141 A 8.03 3.94 0.83 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 0.00 0.00 142 R 7.26 3.54 0.00 1.44 1.65 0.00 2.21 0.00 0.00 2.60 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.50 0.00 143 K 7.14 4.26 0.00 1.83 1.76 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.49 7.81 144 G 7.80 3.92 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 0.00 0.00 0.00 145 R 7.67 4.11 0.00 1.86 1.81 0.00 3.09 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.53 0.00 146 G 8.51 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 0.00 147 L 7.71 5.31 0.00 1.57 1.45 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 148 V 8.47 4.56 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 0.66 0.00 0.00 0.82 0.00 0.00 149 I 8.14 4.74 1.85 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 1.39 0.38 0.91 0.00 0.00 150 S 9.05 4.41 0.00 4.14 4.14 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 0.00 151 P 0.00 4.28 0.00 2.21 2.24 0.00 3.81 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.96 0.00 152 K 7.77 4.33 0.00 1.63 1.55 0.00 1.74 0.00 0.00 1.47 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.55 1.08 7.81 153 D 8.36 4.52 0.00 2.65 2.40 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 0.00 154 Y 9.28 4.26 0.00 3.07 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 * Residues marked with a * may have inaccurate shift predictions.