NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.6616 0.0000 0.0000 62.7601 33.8948 178.3692 3 V 3.4434 7.9224 117.3320 65.7363 31.5221 177.1347 4 K 4.0734 8.3351 124.4085 60.3028 32.0186 180.9820 5 K 4.2070 8.0200 124.6415 59.4598 31.6037 180.6330 6 L 3.9891 8.2395 122.2351 57.9543 41.9478 179.2571 7 K 3.7883 8.2406 118.7006 59.4690 31.9667 179.1204 8 Q 3.9737 8.2620 119.8607 58.9790 28.7868 178.1586 9 F 4.1499 8.2665 121.6569 61.4559 39.4349 177.2272 10 L 3.7932 8.0934 118.8200 57.6793 41.2336 179.3386 11 D 4.4238 8.5461 119.5458 57.4166 40.6018 178.9182 12 S 4.0795 7.8349 113.5003 61.3196 62.9061 175.2847 13 H 4.4218 7.4340 117.0230 54.3377 29.2306 174.9151 14 K 3.8844 8.0093 119.6505 57.3799 29.9385 175.6008 15 I 4.1666 7.9293 118.6423 60.3508 38.3016 176.5688 16 K 4.2716 8.5904 124.8280 55.7413 31.9067 175.6471 17 Y 5.1633 7.7013 121.1274 55.2903 41.2959 174.3435 18 L 4.7904 9.0324 120.6580 53.1585 44.5119 176.1662 19 S 4.8272 8.6256 117.9178 56.9591 65.2664 173.5388 20 I 4.3215 8.8753 126.7735 59.5725 38.9970 174.5106 21 A 4.9778 8.4458 129.4451 50.4905 20.5521 175.3150 22 H 4.6708 8.7897 120.9762 54.0377 30.3069 176.0397 23 S 4.3797 8.8931 117.1081 57.5524 63.4272 173.5242 24 P 4.3424 0.0000 0.0000 65.4658 30.9736 177.4785 25 A 4.1224 7.4224 121.1336 54.4234 18.4796 177.2173 26 Y 4.4345 7.9816 114.7164 57.8099 38.9164 176.2953 27 T 4.4764 9.0380 115.4405 60.5390 71.8525 175.9837 28 A 3.9960 8.2359 122.9604 55.2853 18.2785 179.6827 29 Q 3.9212 8.0188 117.5536 59.4663 29.1302 178.2001 30 E 4.0536 8.2480 119.5719 59.4105 29.4889 179.4932 31 I 3.5796 7.8221 119.2377 64.3317 37.2082 178.3511 32 A 3.9917 8.0904 121.3386 55.0820 18.1224 179.5109 33 A 3.9754 8.4120 119.7209 55.2748 18.3810 179.7934 34 S 4.0487 8.5169 111.7504 61.4239 62.5353 176.1008 35 A 3.9650 8.0045 123.3962 55.4674 18.1671 178.8670 36 H 4.0750 8.1989 116.5536 59.6265 29.7328 177.3864 37 V 3.6155 7.8945 118.7050 66.2977 31.4305 177.8911 38 S 4.3262 8.1326 113.3542 59.7405 62.5818 175.3383 39 G 3.8588 7.9290 109.5092 45.2150 0.0000 172.9970 40 K 4.6148 7.7373 117.8064 54.4231 34.3740 175.5900 41 Q 4.5075 8.4985 124.4383 54.4755 30.6236 174.3021 42 L 4.6091 8.5212 128.7653 54.2049 43.5712 174.9633 43 A 5.1584 9.0754 129.1705 50.6610 20.5471 176.3051 44 K 4.8506 9.2631 120.1573 55.1703 36.4091 174.9095 45 T 5.0881 8.4947 111.4179 60.0002 70.7733 173.4807 46 V 4.4598 8.6111 125.5350 61.0369 34.2885 174.6391 47 I 4.4613 8.3754 128.5587 60.5103 38.6604 174.8858 48 I 5.0120 8.6874 120.0062 59.0912 41.6608 173.9394 49 K 5.2755 8.9736 121.2269 53.1130 36.1499 176.4804 *51 D 4.7271 7.8416 117.4970 54.7078 41.8570 177.3389 52 G 3.9680 8.6123 106.9245 45.2715 0.0000 174.0841 53 R 4.6063 7.3563 116.3953 53.6270 31.5020 175.6240 54 L 4.3514 8.3741 121.2853 55.2238 43.0998 175.9656 55 A 4.1626 8.4144 127.7178 50.9265 23.9878 175.8931 *57 V 4.1166 8.4150 115.0135 63.9744 33.3557 174.7896 58 V 4.9318 9.1120 128.5740 61.0657 33.7347 174.3245 59 L 4.9618 8.6923 126.9095 53.4539 44.6555 173.3082 60 P 4.7106 0.0000 0.0000 62.8211 31.6812 177.7159 61 A 3.9627 9.0687 127.5013 55.1762 18.4199 178.9438 62 S 4.2907 7.9641 108.1136 59.5607 63.7172 173.7437 63 D 4.8521 7.6463 121.0355 53.1791 42.5986 175.1726 64 H 4.9177 8.1059 116.0950 54.1147 32.5294 174.1640 65 I 3.9740 8.0286 123.1551 60.8489 38.4633 174.9894 *76 T 4.0620 8.1112 116.8199 63.3039 67.7223 174.2846 *77 S 4.5965 8.3811 120.5172 58.7704 63.7138 175.7323 78 D 4.8118 7.6607 119.9171 53.9103 39.3605 173.8353 79 L 5.3530 7.7594 120.1299 52.4207 45.6357 175.3614 80 E 4.7790 8.7362 119.4220 55.0848 33.3147 174.3187 81 L 4.5763 8.4329 120.8259 54.5499 42.5612 176.7764 82 A 4.5099 8.5507 124.7934 51.7860 19.4897 177.8027 83 T 4.2192 9.5958 117.3249 63.0031 69.6249 176.1708 84 E 4.0458 8.8448 123.4471 59.7466 29.2664 179.9149 85 S 3.9128 8.0364 112.5928 61.3290 63.0440 175.9572 86 E 4.2083 7.8760 121.5894 59.3170 29.4134 176.4325 87 F 4.9404 8.0165 119.5133 59.2787 45.7116 175.5279 88 E 4.0613 8.7205 119.4655 59.5505 29.5974 179.9759 89 G 3.6845 8.5773 106.9221 48.0968 0.0000 174.8420 90 K 3.7593 7.5857 118.4547 57.9396 32.3175 177.2456 91 F 4.5269 7.4393 118.2798 55.1277 38.6415 175.7060 92 A 4.0507 8.2375 128.3915 54.7647 18.6491 178.9196 93 E 3.9809 8.1552 115.2938 58.3872 30.0216 175.6957 94 C 4.6579 7.4177 118.9143 57.9649 32.1491 173.2912 95 D 4.5935 9.2316 127.3633 54.2469 41.8465 176.3792 96 V 3.9881 8.2881 122.0795 64.5726 31.7685 176.4611 97 G 3.8739 9.9441 116.5863 45.0558 0.0000 172.7452 98 A 4.5246 7.8955 123.3588 49.7121 20.2693 173.9500 *100 P 4.3766 0.0000 0.0000 62.1919 32.5217 174.8481 101 P 4.5239 0.0000 0.0000 63.6176 31.9417 177.3781 102 F 4.5285 8.0047 116.5168 57.1864 38.0807 177.0401 103 G 3.7138 7.7362 110.2713 47.4809 0.0000 172.5926 104 N 4.2331 8.0998 118.9453 56.1035 36.8701 176.8119 105 L 3.8479 7.3458 118.9874 56.2405 41.6487 177.1886 106 Y 4.8142 7.0662 114.6855 56.9851 39.5417 175.9369 107 G 3.9175 7.9984 106.8422 46.4337 0.0000 173.4268 108 L 4.6034 7.9601 119.7163 51.9819 42.8988 175.2479 109 P 4.3740 0.0000 0.0000 62.6464 32.4068 175.7121 110 V 4.3282 8.2588 122.2874 61.0695 34.2971 173.9122 111 L 5.1145 8.4955 127.3647 52.9963 44.2616 175.2629 112 V 4.8522 8.6809 124.3927 60.6090 34.5152 174.7428 113 S 4.7537 9.2023 123.6044 58.8340 62.4560 175.3647 114 T 4.5004 8.6748 116.2658 63.5220 68.9140 176.7800 115 K 3.9837 7.7034 121.2720 59.1321 31.9836 178.5473 116 L 4.1743 7.7761 119.4447 56.9134 41.8272 178.9845 117 S 2.7900 7.4510 112.8543 59.7703 62.9248 175.9537 118 A 3.9468 7.1979 123.1317 53.5984 18.4021 177.6050 119 Q 4.3724 6.6465 115.6531 54.9241 30.2312 175.9950 120 D 4.5470 8.6780 120.2922 56.7515 41.1776 176.0427 121 N 5.7182 8.0028 114.3508 51.2914 43.3068 173.2073 122 I 4.6807 8.7413 120.6028 59.1956 41.0086 173.8972 123 L 5.0941 8.5218 130.4548 53.2329 45.1105 175.0825 124 F 5.3108 7.6871 118.8870 55.3659 40.8158 173.1722 125 N 4.6761 8.7783 118.8920 53.3817 38.8566 175.5343 126 A 4.6000 9.0631 125.1894 50.9552 19.6301 174.7302 127 G 4.1975 11.1670 111.5513 45.9512 0.0000 171.3579 128 S 4.9309 7.3126 111.8154 57.1583 65.6533 174.6386 129 H 4.4502 8.6382 115.7265 57.8715 28.7105 176.6046 130 S 4.2519 7.8590 116.1274 59.5868 63.4798 173.1157 131 E 4.8559 7.7552 119.7066 55.0831 31.0612 175.2390 132 L 5.2162 8.7733 127.7449 52.1150 45.6401 174.8307 *134 Q 4.8734 8.6898 119.1506 56.9470 30.4399 175.1259 135 L 5.2198 8.2637 124.3760 54.0356 44.5974 175.3186 136 S 4.9345 8.7257 113.6790 57.7051 63.8803 175.1997 137 F 4.2337 9.3831 125.2331 61.3393 39.0504 177.8401 138 G 3.7729 8.3452 105.0868 48.0178 0.0000 175.2617 139 D 4.3746 8.2555 121.4228 56.8873 40.7960 178.5165 140 F 4.1067 8.1853 121.1990 61.4116 39.3748 176.8071 141 E 3.3201 8.2699 119.0622 58.9790 29.1193 178.9592 142 K 3.9437 7.7154 117.8222 59.2042 32.1742 179.1256 143 L 4.1327 7.6173 118.4734 57.5604 41.7731 179.0063 144 V 3.5538 7.4075 116.5682 62.3441 32.6369 175.8342 145 K 3.7046 7.4270 116.8215 56.7350 29.6943 172.4717 146 P 4.5934 0.0000 0.0000 62.8121 33.4412 177.1005 147 T 4.4577 8.5622 117.4187 62.3239 69.8429 174.5963 148 L 4.8426 8.5277 126.8513 54.6995 42.8449 176.8333 149 V 4.5613 8.8933 115.6478 59.9597 36.3229 174.5051 150 T 4.6374 8.5172 120.6189 62.3612 69.5818 175.0118 151 L 4.3347 8.3691 125.4405 54.8983 42.4500 176.3174 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 2 P 0.00 4.66 0.00 2.13 2.06 0.00 3.88 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 1.75 1.63 0.00 3 V 7.92 3.44 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 1.11 0.00 0.00 0.99 0.00 0.00 4 K 8.34 4.07 0.00 1.80 1.80 0.00 1.85 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.44 1.08 7.81 5 K 8.02 4.21 0.00 1.75 1.85 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.44 1.07 7.81 6 L 8.24 3.99 0.00 1.70 1.78 -0.06 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.24 3.79 0.00 1.85 1.95 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.52 7.81 8 Q 8.26 3.97 0.00 2.34 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 9 F 8.27 4.15 0.00 3.12 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 10 L 8.09 3.79 0.00 1.48 1.67 0.15 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.55 4.42 0.00 2.71 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 12 S 7.83 4.08 0.00 3.94 3.96 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 13 H 7.43 4.42 0.00 2.98 3.20 0.00 6.00 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.01 3.88 0.00 1.87 1.87 0.00 1.87 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.52 7.81 15 I 7.93 4.17 2.11 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.77 1.09 0.00 0.00 16 K 8.59 4.27 0.00 1.77 1.77 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.42 7.81 17 Y 7.70 5.16 0.00 3.04 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 18 L 9.03 4.79 0.00 1.47 1.57 0.94 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 19 S 8.63 4.83 0.00 3.73 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 20 I 8.88 4.32 1.79 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 1.09 0.88 0.73 0.00 0.00 21 A 8.45 4.98 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 22 H 8.79 4.67 0.00 2.83 2.78 0.00 5.86 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 S 8.89 4.38 0.00 4.08 4.11 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 24 P 0.00 4.34 0.00 2.23 2.27 0.00 3.82 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 2.00 0.00 25 A 7.42 4.12 1.23 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 0.00 0.00 26 Y 7.98 4.43 0.00 3.23 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 T 9.04 4.48 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 1.28 0.00 0.00 28 A 8.24 4.00 1.16 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 0.00 0.00 29 Q 8.02 3.92 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.53 0.00 30 E 8.25 4.05 0.00 2.40 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 0.00 2.36 2.39 0.00 31 I 7.82 3.58 1.96 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 0.71 0.87 0.66 0.00 0.00 32 A 8.09 3.99 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 33 A 8.41 3.98 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 34 S 8.52 4.05 0.00 4.07 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 35 A 8.00 3.96 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 36 H 8.20 4.08 0.00 3.31 3.51 0.00 5.80 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 37 V 7.89 3.62 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 0.91 0.00 0.00 1.01 0.00 0.00 38 S 8.13 4.33 0.00 4.06 3.91 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 39 G 7.93 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 0.00 0.00 0.00 40 K 7.74 4.61 0.00 1.80 1.72 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.67 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.35 7.81 41 Q 8.50 4.51 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.84 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 42 L 8.52 4.61 0.00 1.82 1.53 1.03 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 43 A 9.08 5.16 1.28 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 0.00 0.00 44 K 9.26 4.85 0.00 1.76 1.89 0.00 1.28 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.34 7.81 45 T 8.49 5.09 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 1.15 0.00 0.00 46 V 8.61 4.46 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 0.82 0.00 0.00 0.94 0.00 0.00 47 I 8.38 4.46 1.92 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.93 0.85 0.00 0.00 48 I 8.69 5.01 1.94 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 1.19 0.81 0.90 0.00 0.00 49 K 8.97 5.28 0.00 1.65 1.73 0.00 2.00 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.33 1.21 7.81 *51 D 7.84 4.73 0.00 2.68 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 52 G 8.61 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 53 R 7.36 4.61 0.00 1.97 2.03 0.00 2.96 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 54 L 8.37 4.35 0.00 1.58 1.46 1.06 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.41 4.16 1.08 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 0.00 0.00 0.00 0.00 0.00 *57 V 8.42 4.12 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 1.02 0.00 0.00 0.92 0.00 0.00 58 V 9.11 4.93 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 0.82 0.00 0.00 0.92 0.00 0.00 59 L 8.69 4.96 0.00 1.72 1.70 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 60 P 0.00 4.71 0.00 2.08 2.02 0.00 3.59 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 2.23 2.09 0.00 61 A 9.07 3.96 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 62 S 7.96 4.29 0.00 3.98 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 63 D 7.65 4.85 0.00 2.78 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 64 H 8.11 4.92 0.00 3.06 3.16 0.00 5.89 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 65 I 8.03 3.97 1.88 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 1.30 0.48 0.92 0.00 0.00 *76 T 8.11 4.06 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 1.23 0.00 0.00 *77 S 8.38 4.60 0.00 3.66 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 78 D 7.66 4.81 0.00 2.68 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 79 L 7.76 5.35 0.00 1.51 1.50 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.74 4.78 0.00 2.03 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 2.20 2.29 0.00 81 L 8.43 4.58 0.00 1.57 1.65 0.93 0.80 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 82 A 8.55 4.51 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 83 T 9.60 4.22 4.41 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 1.24 0.00 0.00 84 E 8.84 4.05 0.00 2.02 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 2.44 2.40 0.00 85 S 8.04 3.91 0.00 4.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.88 4.21 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 2.37 2.34 0.00 87 F 8.02 4.94 0.00 3.05 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 E 8.72 4.06 0.00 2.15 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 2.57 2.54 0.00 89 G 8.58 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 90 K 7.59 3.76 0.00 0.94 1.14 0.00 1.39 0.00 0.00 1.45 0.00 0.00 3.18 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.23 1.18 7.81 91 F 7.44 4.53 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 92 A 8.24 4.05 1.26 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 0.00 0.00 0.00 93 E 8.16 3.98 0.00 2.23 2.03 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 2.29 1.86 0.00 94 C 7.42 4.66 0.00 3.17 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 95 D 9.23 4.59 0.00 2.69 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 96 V 8.29 3.99 2.11 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 0.85 0.00 0.00 1.01 0.00 0.00 97 G 9.94 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 98 A 7.90 4.52 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 *100 P 0.00 4.38 0.00 2.15 2.15 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 1.98 2.23 0.00 101 P 0.00 4.52 0.00 2.02 1.90 0.00 2.29 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.20 0.00 102 F 8.00 4.53 0.00 3.01 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 0.00 103 G 7.74 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 0.00 104 N 8.10 4.23 0.00 2.81 2.98 0.00 0.00 6.30 6.67 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 0.00 105 L 7.35 3.85 0.00 0.87 1.02 0.53 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 106 Y 7.07 4.81 0.00 3.21 3.26 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 0.00 107 G 8.00 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 0.00 108 L 7.96 4.60 0.00 1.51 1.45 0.01 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 109 P 0.00 4.37 0.00 1.88 1.94 0.00 3.68 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 110 V 8.26 4.33 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 1.09 0.00 0.00 0.86 0.00 0.00 111 L 8.50 5.11 0.00 1.61 1.54 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 112 V 8.68 4.85 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 1.36 0.00 0.00 1.18 0.00 0.00 113 S 9.20 4.75 0.00 3.91 3.73 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 0.00 114 T 8.67 4.50 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 1.24 0.00 0.00 115 K 7.70 3.98 0.00 1.75 1.89 0.00 1.81 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.46 7.81 116 L 7.78 4.17 0.00 1.86 1.72 0.93 1.02 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 0.00 117 S 7.45 2.79 0.00 3.68 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 0.00 118 A 7.20 3.95 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 0.00 119 Q 6.65 4.37 0.00 2.20 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.93 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 120 D 8.68 4.55 0.00 2.73 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 0.00 121 N 8.00 5.72 0.00 2.64 2.81 0.00 0.00 6.56 7.32 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 0.00 122 I 8.74 4.68 1.98 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.50 0.93 0.00 0.00 123 L 8.52 5.09 0.00 1.74 1.64 0.83 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 124 F 7.69 5.31 0.00 3.23 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 0.00 125 N 8.78 4.68 0.00 2.83 3.03 0.00 0.00 6.64 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 0.00 126 A 9.06 4.60 1.26 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 0.00 0.00 0.00 127 G 11.17 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 0.00 0.00 0.00 0.00 128 S 7.31 4.93 0.00 4.06 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 0.00 129 H 8.64 4.45 0.00 3.24 3.50 0.00 5.71 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 S 7.86 4.25 0.00 3.89 4.08 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 0.00 0.00 0.00 131 E 7.76 4.86 0.00 2.17 1.86 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 2.24 2.30 0.00 132 L 8.77 5.22 0.00 1.45 1.46 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 *134 Q 8.69 4.87 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 135 L 8.26 5.22 0.00 1.91 1.92 1.30 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 136 S 8.73 4.93 0.00 4.12 4.12 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 0.00 0.00 0.00 137 F 9.38 4.23 0.00 3.23 3.19 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 0.00 0.00 0.00 0.00 138 G 8.35 3.77 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 0.00 0.00 0.00 139 D 8.26 4.37 0.00 2.98 2.82 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 0.00 140 F 8.19 4.11 0.00 3.05 2.89 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 0.00 0.00 0.00 0.00 141 E 8.27 3.32 0.00 1.76 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 2.23 2.32 0.00 142 K 7.72 3.94 0.00 1.94 1.81 0.00 1.84 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.51 7.81 143 L 7.62 4.13 0.00 1.85 2.04 1.11 0.47 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 0.00 144 V 7.41 3.55 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 0.00 0.00 0.36 0.00 0.00 0.01 0.00 0.00 145 K 7.43 3.70 0.00 1.84 1.74 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.38 7.81 146 P 0.00 4.59 0.00 2.06 1.87 0.00 3.57 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.67 0.00 147 T 8.56 4.46 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 1.21 0.00 0.00 148 L 8.53 4.84 0.00 1.56 1.63 1.01 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 149 V 8.89 4.56 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 0.00 150 T 8.52 4.64 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 0.00 151 L 8.37 4.33 0.00 1.58 1.51 0.92 0.89 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 * Residues marked with a * may have inaccurate shift predictions.