NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 N 4.7501 8.2833 118.2213 51.7832 38.9732 174.7572 18 P 4.1354 0.0000 0.0000 65.8224 31.4164 177.2792 19 N 4.3931 8.4594 115.0827 56.4432 38.8846 176.6760 20 E 3.9922 8.8465 120.5895 59.1644 29.7373 178.6341 21 A 3.9294 8.2544 120.9520 55.1257 18.1698 179.0675 22 Y 4.1860 8.2470 117.6230 61.0023 39.0302 177.9289 23 R 3.9160 7.7230 117.2667 59.4752 30.3939 178.0668 24 H 4.2089 8.2855 117.9168 59.5541 29.6796 178.0637 25 Y 4.2709 7.2784 115.0001 58.4981 37.4134 178.1180 *27 K 4.0309 7.9879 123.0466 56.3430 34.1696 177.6089 28 K 4.0000 8.2092 119.4943 59.7458 31.9017 178.7884 29 L 4.0397 8.2650 119.5323 57.5548 41.2307 179.5954 30 S 4.0551 7.4829 113.6398 60.8718 63.1721 175.1662 31 Y 4.6790 7.5809 118.9140 57.3559 37.9342 174.0579 32 E 5.3221 7.5862 117.1931 55.3648 33.7587 174.4847 33 T 4.7650 8.6040 112.8049 60.9513 71.4268 172.6103 34 D 4.9692 8.6102 127.4140 52.0534 42.2422 177.2645 35 I 3.8683 8.6097 118.8339 64.5949 36.8281 178.1637 36 A 3.9773 8.2277 120.8645 55.5651 18.2368 179.2838 37 D 4.3264 8.4448 117.0699 57.4217 40.8662 178.8564 38 L 4.0588 8.0550 121.0734 58.1687 42.1362 179.0349 39 S 4.5411 8.8935 114.7061 61.7614 62.6456 176.7523 40 I 3.7798 7.6471 123.3020 64.3416 36.8564 178.1390 41 D 4.4288 8.0643 119.2757 57.2196 40.6906 179.0491 42 I 3.7570 8.0925 120.5385 64.2907 36.9928 178.2868 43 K 3.9964 8.0057 119.0225 59.5253 32.1794 178.4796 44 K 4.2842 8.2832 116.4792 56.6537 32.1298 177.5515 45 G 3.8522 7.7993 106.7369 46.2411 0.0000 173.1623 46 Y 4.2072 8.2292 121.3523 57.8808 39.2435 175.5700 47 E 4.2771 8.3855 125.4821 56.3951 30.2265 176.8426 48 G 3.6472 5.5998 105.8815 46.2494 0.0000 173.3295 49 I 5.2755 7.1501 111.6346 58.9513 41.2390 174.8783 50 I 4.4300 8.3442 123.6927 59.5700 40.4082 174.6642 51 V 4.3598 8.3324 127.7426 61.8622 33.2536 174.5171 52 V 4.6363 8.9200 128.4749 61.0258 34.2422 173.7349 53 D 3.4240 8.8056 129.1513 53.0669 41.9960 176.3186 54 V 4.5732 7.6493 119.0878 60.7191 32.9204 176.8707 55 R 4.6786 8.1690 122.3576 54.8316 31.6423 175.5757 56 D 4.6124 8.5053 117.8109 54.3188 42.5877 177.3347 57 A 4.0009 8.6562 124.2335 55.5696 18.3479 179.7404 58 E 3.9076 8.3547 116.7831 59.5174 29.7188 178.6476 59 A 4.1047 8.1740 120.1307 55.5064 18.2460 178.7943 60 Y 3.9536 7.6807 116.2099 60.7207 39.0799 177.8196 61 K 4.1200 8.5261 120.7508 59.6946 32.2113 178.4395 62 E 4.0624 8.4407 118.8344 59.3524 30.7052 177.1694 63 C 5.0002 8.0257 116.5402 58.7685 35.2454 172.9413 64 H 4.8649 8.7660 121.1865 54.3074 32.5203 172.4124 65 I 3.8547 8.1050 119.5633 59.8787 37.9585 174.4944 66 P 4.3755 0.0000 0.0000 64.6611 31.5406 176.8470 67 T 3.4418 8.7673 110.8864 61.4740 67.5645 171.5848 68 A 4.6401 7.8624 124.7352 51.9632 19.3386 177.3232 69 I 4.3324 8.8212 115.7553 59.5035 40.9184 174.1794 70 S 4.5048 7.7868 116.9046 56.4759 64.1547 173.9043 71 I 4.3423 8.2334 127.9754 58.9796 40.0773 172.0927 72 P 4.5077 0.0000 0.0000 61.9495 32.2550 177.0818 73 G 3.8260 9.0281 114.1260 49.1825 0.0000 175.0147 74 N 4.5017 8.0472 114.1307 53.0316 37.1965 175.3463 75 K 4.3068 7.9110 117.7824 56.3584 33.2247 176.3797 76 I 3.6259 7.4113 121.4752 61.1989 36.7951 174.8696 77 N 4.6931 7.9463 122.2262 52.1762 39.4677 174.4383 78 E 4.0085 8.8304 116.7999 60.0989 30.1205 178.4939 79 D 4.4405 8.2682 118.2204 57.6324 41.0037 177.9600 80 T 4.1635 8.4666 111.5602 63.4070 67.6903 174.6396 81 T 4.6343 7.6080 109.7298 61.4938 69.4733 175.6933 82 K 3.9257 7.7586 122.0736 60.4867 32.3276 178.0777 83 R 4.2517 7.8815 114.9940 56.3175 30.4935 176.0032 84 L 4.4220 7.7464 119.5634 53.4647 42.7946 176.4263 85 S 4.3307 8.6380 118.5422 57.9645 62.7136 174.6866 86 K 4.0728 8.5737 126.7325 58.0239 31.9603 177.6585 87 E 4.1272 8.0806 118.2633 57.7273 29.7274 176.6359 88 K 4.5323 7.6653 117.9044 54.9462 34.7537 175.7490 89 V 4.4573 8.1195 120.9579 61.7657 33.3125 174.6461 90 I 4.4326 8.7661 129.2984 60.4515 38.9122 174.7718 91 I 4.8881 8.5539 128.1853 59.9052 39.4124 174.8320 92 T 5.0549 8.4989 118.3255 60.6041 71.4466 173.3813 93 Y 5.0236 8.1072 119.5028 56.3399 42.0084 173.1755 94 C 5.2674 8.5522 121.1220 55.4842 48.4094 173.1642 95 W 4.1925 9.4745 115.7723 58.8257 29.4877 176.5237 96 G 4.5082 7.9766 104.9604 45.5065 0.0000 171.2880 97 P 4.2201 0.0000 0.0000 65.0581 31.3617 176.7599 98 A 4.5725 8.0914 118.5789 51.8169 19.4841 176.7551 99 C 4.9900 8.4198 116.7684 55.0991 45.8245 173.9490 100 N 4.6042 8.5270 121.4941 53.3902 38.8718 177.5533 101 G 3.9447 8.0400 107.8294 48.0799 0.0000 175.2965 102 A 4.0227 8.0729 123.1349 54.9697 18.4800 179.7659 103 T 3.8429 7.8135 113.6564 66.7320 68.6802 176.9568 104 K 3.9418 8.1204 120.1777 59.4388 32.0126 179.2637 105 A 3.9671 8.2940 120.9194 54.9244 18.2038 179.3616 106 A 4.0609 8.2324 119.1096 55.4025 18.4295 179.5973 107 A 3.9535 7.8889 118.8135 55.3640 18.3319 179.9386 108 K 3.8392 7.9613 116.8021 59.7588 32.1333 179.5981 109 F 4.1071 8.5991 118.1418 60.5510 38.8153 177.6514 110 A 4.4977 8.6427 122.1780 54.5346 17.9534 179.4366 111 Q 4.0363 8.1692 117.5300 58.6392 29.1457 177.2643 112 L 4.5380 7.5412 118.0565 54.3852 41.8859 177.3701 113 G 3.8702 8.1193 107.2671 45.3248 0.0000 173.7836 114 F 4.6180 8.3475 118.4520 56.4768 41.2570 174.7339 115 R 4.8829 8.6639 122.0224 55.3744 31.1295 175.4716 116 V 5.0852 8.4720 124.9219 60.0835 35.1586 174.9000 117 K 5.0439 9.1097 120.2401 54.8845 37.0629 175.0365 118 E 5.1003 8.9160 121.6502 53.9191 32.4865 174.8190 119 L 4.8271 9.1030 126.1188 54.3792 43.0703 175.9421 120 I 4.1002 8.3514 121.3374 61.7394 38.7081 175.8802 121 G 3.9712 9.3021 111.4818 44.1389 0.0000 174.9479 122 G 4.2223 7.7988 107.8280 45.2194 0.0000 173.6792 123 I 3.7358 8.1143 116.3550 63.3695 37.6846 177.8063 124 E 3.9338 8.4954 120.7639 59.7466 29.5565 178.2402 125 Y 3.9247 8.3970 115.9655 59.7907 38.0862 177.6778 126 W 4.1256 8.1145 129.4742 60.4826 30.8280 178.2009 127 R 3.9129 8.4346 118.2202 59.0746 29.3767 179.1114 128 K 3.9686 7.7792 117.3139 58.9614 31.9264 177.9252 129 E 4.3264 7.8402 117.3954 55.8051 29.9442 175.7925 130 N 4.0502 7.7646 115.1420 54.3819 37.9855 174.6149 131 G 2.8771 7.2862 104.0602 44.2472 0.0000 174.4014 132 E 4.3506 8.3461 120.6536 55.9577 30.4371 176.6460 133 V 4.7422 7.9798 113.0557 59.9260 35.9563 174.4149 134 E 4.5606 9.2268 120.5439 54.5488 32.8314 175.3600 135 G 3.8957 8.4494 105.5631 43.7232 0.0000 173.8486 136 T 3.9999 8.4941 116.9320 66.0263 68.5911 175.7915 137 L 4.5217 7.9254 119.6367 53.5994 44.8324 177.7981 138 G 3.6423 7.9515 106.9371 46.5079 0.0000 176.7375 139 A 4.1554 8.7390 127.6394 53.6256 18.1696 178.4370 140 K 4.2105 7.8445 114.0077 56.6658 32.6556 177.2997 141 A 4.2840 7.6014 122.2420 51.3445 18.9715 177.1699 142 D 4.4910 8.6093 119.7025 55.0103 41.3187 176.9979 143 L 4.3018 8.2406 122.9483 55.6430 42.6972 176.1835 144 F 5.0969 7.4303 115.0296 55.0694 42.6840 174.3040 145 W 2.8509 7.8075 132.1212 56.8949 31.1523 175.0936 146 N 4.6244 6.9054 122.3580 51.6036 41.1789 173.1471 *148 K 4.1754 8.5687 114.9394 56.4630 33.9412 175.7773 149 K 3.9293 7.7647 122.5452 56.9193 31.9499 175.8467 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 17 N 8.28 4.75 0.00 2.98 3.03 0.00 0.00 6.10 6.88 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 18 P 0.00 4.14 0.00 2.28 2.21 0.00 3.63 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.27 0.00 19 N 8.46 4.39 0.00 2.98 2.92 0.00 0.00 6.73 7.66 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 20 E 8.85 3.99 0.00 2.05 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 0.00 2.29 2.33 0.00 21 A 8.25 3.93 1.53 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 22 Y 8.25 4.19 0.00 3.08 3.29 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 23 R 7.72 3.92 0.00 2.02 1.98 0.00 3.26 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.00 0.00 24 H 8.29 4.21 0.00 3.07 3.20 0.00 5.79 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 25 Y 7.28 4.27 0.00 3.03 2.86 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 *27 K 7.99 4.03 0.00 2.00 1.94 0.00 1.50 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.47 1.64 7.81 28 K 8.21 4.00 0.00 1.83 1.95 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.52 7.81 29 L 8.27 4.04 0.00 1.67 1.67 0.90 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 30 S 7.48 4.06 0.00 3.67 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 31 Y 7.58 4.68 0.00 3.01 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 32 E 7.59 5.32 0.00 1.99 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 2.44 2.27 0.00 33 T 8.60 4.77 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 1.25 0.00 0.00 34 D 8.61 4.97 0.00 2.78 2.81 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 35 I 8.61 3.87 2.06 0.00 0.00 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 1.77 0.69 0.93 0.00 0.00 36 A 8.23 3.98 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 37 D 8.44 4.33 0.00 2.93 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 38 L 8.06 4.06 0.00 2.01 2.01 0.65 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 39 S 8.89 4.54 0.00 3.99 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 40 I 7.65 3.78 2.02 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 1.53 0.82 0.91 0.00 0.00 41 D 8.06 4.43 0.00 2.91 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 8.09 3.76 2.19 0.00 0.00 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 1.74 1.22 0.99 0.00 0.00 43 K 8.01 4.00 0.00 1.90 1.88 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.51 7.81 44 K 8.28 4.28 0.00 1.89 1.90 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.58 7.81 45 G 7.80 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 46 Y 8.23 4.21 0.00 2.87 3.05 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 0.00 0.00 0.00 47 E 8.39 4.28 0.00 1.91 1.78 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 2.25 2.22 0.00 48 G 5.60 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 49 I 7.15 5.28 1.89 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 1.29 0.77 1.12 0.00 0.00 50 I 8.34 4.43 1.72 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.75 0.82 0.00 0.00 51 V 8.33 4.36 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 1.01 0.00 0.00 0.88 0.00 0.00 52 V 8.92 4.64 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 0.88 0.00 0.00 0.68 0.00 0.00 53 D 8.81 3.42 0.00 2.64 2.42 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 54 V 7.65 4.57 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 1.03 0.00 0.00 0.88 0.00 0.00 55 R 8.17 4.68 0.00 1.74 1.79 0.00 2.21 0.00 0.00 2.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.33 0.00 56 D 8.51 4.61 0.00 2.86 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 57 A 8.66 4.00 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 58 E 8.35 3.91 0.00 2.17 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 2.47 2.54 0.00 59 A 8.17 4.10 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 60 Y 7.68 3.95 0.00 2.91 3.11 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 61 K 8.53 4.12 0.00 1.98 2.04 0.00 1.88 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.54 7.81 62 E 8.44 4.06 0.00 2.02 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 2.36 2.54 0.00 63 C 8.03 5.00 0.00 2.98 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 64 H 8.77 4.86 0.00 3.13 3.05 0.00 5.51 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 I 8.11 3.85 1.30 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.26 0.10 -0.39 0.00 0.00 66 P 0.00 4.38 0.00 2.06 2.04 0.00 3.61 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.13 0.00 67 T 8.77 3.44 4.23 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 1.22 0.00 0.00 68 A 7.86 4.64 1.49 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 0.00 0.00 69 I 8.82 4.33 1.75 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 1.24 0.97 0.88 0.00 0.00 70 S 7.79 4.50 0.00 2.72 2.81 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 71 I 8.23 4.34 1.82 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 1.12 0.72 0.79 0.00 0.00 72 P 0.00 4.51 0.00 2.01 1.95 0.00 3.81 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.01 0.00 73 G 9.03 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 0.00 0.00 0.00 74 N 8.05 4.50 0.00 2.79 2.90 0.00 0.00 5.89 7.13 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 75 K 7.91 4.31 0.00 1.82 1.79 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.47 7.81 76 I 7.41 3.63 1.55 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.53 -0.01 0.00 0.00 77 N 7.95 4.69 0.00 2.85 2.84 0.00 0.00 6.22 7.66 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 78 E 8.83 4.01 0.00 1.97 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 2.32 2.33 0.00 79 D 8.27 4.44 0.00 2.86 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 80 T 8.47 4.16 4.17 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 0.00 0.00 0.00 1.26 0.00 0.00 81 T 7.61 4.63 4.33 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 1.06 0.00 0.00 82 K 7.76 3.93 0.00 2.00 2.15 0.00 1.60 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.72 1.44 7.81 83 R 7.88 4.25 0.00 1.84 2.02 0.00 3.36 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 84 L 7.75 4.42 0.00 1.95 1.67 0.88 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 85 S 8.64 4.33 0.00 3.88 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 86 K 8.57 4.07 0.00 1.63 1.56 0.00 1.08 0.00 0.00 0.61 0.00 0.00 2.70 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.08 1.12 7.81 87 E 8.08 4.13 0.00 1.98 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 2.41 0.00 88 K 7.67 4.53 0.00 1.69 1.84 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.36 7.81 89 V 8.12 4.46 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 1.01 0.00 0.00 0.99 0.00 0.00 90 I 8.77 4.43 1.41 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 0.02 -0.32 -0.18 0.00 0.00 91 I 8.55 4.89 1.85 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 1.26 0.99 0.93 0.00 0.00 92 T 8.50 5.05 4.23 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 1.17 0.00 0.00 93 Y 8.11 5.02 0.00 3.04 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 94 C 8.55 5.27 0.00 3.06 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 W 9.47 4.19 0.00 3.47 3.45 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 0.00 0.00 0.00 0.00 96 G 7.98 4.51 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 97 P 0.00 4.22 0.00 2.16 2.20 0.00 3.95 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.16 0.00 98 A 8.09 4.57 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 99 C 8.42 4.99 0.00 3.02 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 0.00 100 N 8.53 4.60 0.00 2.74 2.80 0.00 0.00 6.88 7.58 0.00 0.00 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 8.04 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 0.00 0.00 0.00 102 A 8.07 4.02 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 0.00 103 T 7.81 3.84 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 1.24 0.00 0.00 104 K 8.12 3.94 0.00 1.92 1.83 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.59 7.81 105 A 8.29 3.97 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.23 4.06 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 0.00 107 A 7.89 3.95 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 0.00 108 K 7.96 3.84 0.00 1.84 1.66 0.00 1.57 0.00 0.00 1.52 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.56 7.81 109 F 8.60 4.11 0.00 3.28 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 0.00 110 A 8.64 4.50 1.44 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 0.00 111 Q 8.17 4.04 0.00 2.20 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.01 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 112 L 7.54 4.54 0.00 2.15 1.92 0.80 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 113 G 8.12 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 0.00 114 F 8.35 4.62 0.00 3.36 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 0.00 115 R 8.66 4.88 0.00 1.98 1.87 0.00 3.22 0.00 0.00 3.42 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 116 V 8.47 5.09 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 0.92 0.00 0.00 0.85 0.00 0.00 117 K 9.11 5.04 0.00 1.67 1.70 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.40 7.81 118 E 8.92 5.10 0.00 2.09 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 0.00 2.44 2.13 0.00 119 L 9.10 4.83 0.00 1.86 1.81 1.04 0.84 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 0.00 120 I 8.35 4.10 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 1.42 0.74 0.95 0.00 0.00 121 G 9.30 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 0.00 122 G 7.80 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 0.00 0.00 0.00 0.00 123 I 8.11 3.74 1.77 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 1.43 1.40 0.98 0.00 0.00 124 E 8.50 3.93 0.00 2.39 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 0.00 2.13 2.27 0.00 125 Y 8.40 3.92 0.00 3.29 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 0.00 126 W 8.11 4.13 0.00 3.42 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 0.00 127 R 8.43 3.91 0.00 2.01 1.92 0.00 3.18 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.93 0.00 128 K 7.78 3.97 0.00 1.43 1.69 0.00 0.61 0.00 0.00 1.29 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.27 1.37 7.81 129 E 7.84 4.33 0.00 1.97 1.82 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 2.34 2.39 0.00 130 N 7.76 4.05 0.00 2.75 2.73 0.00 0.00 7.02 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 G 7.29 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 0.00 0.00 0.00 132 E 8.35 4.35 0.00 2.09 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 2.31 2.31 0.00 133 V 7.98 4.74 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 0.90 0.00 0.00 0.93 0.00 0.00 134 E 9.23 4.56 0.00 1.65 1.66 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 2.16 2.14 0.00 135 G 8.45 3.90 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 0.00 0.00 0.00 136 T 8.49 4.00 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 1.22 0.00 0.00 137 L 7.93 4.52 0.00 1.80 1.68 1.01 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 138 G 7.95 3.64 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 0.00 0.00 0.00 139 A 8.74 4.16 1.27 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 0.00 0.00 0.00 140 K 7.84 4.21 0.00 1.90 1.86 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.52 7.81 141 A 7.60 4.28 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 0.00 142 D 8.61 4.49 0.00 2.86 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 0.00 143 L 8.24 4.30 0.00 1.29 0.83 0.79 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 144 F 7.43 5.10 0.00 2.95 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 0.00 145 W 7.81 2.85 0.00 1.78 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 0.00 146 N 6.91 4.62 0.00 2.41 2.33 0.00 0.00 7.03 6.68 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 *148 K 8.57 4.18 0.00 1.82 1.78 0.00 1.60 0.00 0.00 1.51 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.42 7.81 149 K 7.76 3.93 0.00 1.62 1.55 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.40 7.81 * Residues marked with a * may have inaccurate shift predictions.