NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5093 8.3349 115.4184 58.3781 64.2648 172.7668 3 N 4.5544 8.1730 122.1801 52.2007 41.7509 170.9004 4 T 4.8187 8.0033 112.8689 61.7057 71.6942 173.4946 5 L 4.7274 8.4825 119.0214 56.3999 45.4377 174.5274 6 F 5.0146 7.6774 121.2693 57.4045 43.3650 171.9621 7 D 4.7353 6.4172 116.9940 54.5038 43.8578 174.7791 8 D 4.3937 7.7419 124.2009 54.1804 45.0110 173.0763 9 I 5.2572 9.4110 117.2872 60.1190 41.5700 174.6302 10 F 5.1958 9.6512 124.9232 55.7250 43.3713 173.6344 11 Q 4.8477 9.5850 123.5396 54.4751 31.2266 174.5623 12 V 4.2104 8.3945 127.2670 62.4781 31.9084 176.7039 13 S 4.3173 9.4082 126.0670 61.6256 63.5864 175.0308 14 E 4.7055 7.7010 115.8832 55.4074 33.9191 175.1176 15 V 4.7162 8.3565 122.9740 61.1062 33.5609 173.3774 16 D 4.7247 8.6758 128.6910 52.8437 42.1052 174.6324 17 P 4.7239 0.0000 0.0000 62.2938 31.9712 174.0940 18 G 3.9633 7.2492 109.0486 47.6407 0.0000 172.5917 19 R 4.2618 8.7249 125.7992 55.8035 28.6088 177.0032 20 Y 4.6959 6.6690 112.2047 57.5810 38.8324 174.7117 21 N 4.8435 8.7613 117.8250 54.2835 40.5886 176.1680 22 K 4.4654 7.9421 115.3268 56.7280 33.6089 176.6882 23 V 4.9482 7.6694 119.1701 61.4189 34.6944 174.1212 24 C 4.9914 9.1369 123.0115 58.5150 33.4716 173.2246 25 R 4.8372 9.4041 123.1289 54.6003 31.0617 175.0806 26 I 4.5972 8.4478 128.7104 61.0563 38.4492 175.7160 27 E 4.5761 8.9873 127.0106 55.5796 29.7489 175.2164 28 A 5.2479 8.4820 126.6330 50.5594 21.5272 175.6391 29 A 5.1133 9.2066 121.6892 50.1280 22.3111 176.0749 30 S 4.3903 8.4314 115.3523 57.9042 63.1690 173.9285 31 T 4.0692 7.8318 118.6329 63.3541 69.2050 172.5125 32 T 3.7355 8.9288 122.2674 62.6263 64.2271 175.4402 33 Q 4.1806 9.2080 131.5393 56.2926 29.3189 176.4041 34 D 4.4481 8.8945 123.1165 56.9994 41.2593 177.7631 35 Q 4.2529 7.6931 115.3731 58.0984 29.8803 175.6484 36 C 4.6791 8.0729 122.4798 58.2900 32.4743 171.7404 37 K 5.0965 8.8291 127.3885 54.5466 35.5069 174.2478 38 L 4.9559 8.5341 125.4110 53.5991 45.0142 175.0466 39 T 4.7940 8.3544 123.4936 61.7760 71.0277 173.3084 40 L 4.9358 9.2520 127.2914 54.0980 46.2624 173.3732 41 D 5.2475 8.5773 125.9401 53.7038 41.9182 176.0828 42 I 4.6671 8.5515 123.6487 59.1969 40.2572 174.6106 43 N 5.1171 9.1312 124.8405 54.1636 38.1537 174.9175 44 V 3.6946 8.8854 123.5956 62.8998 31.4866 175.6728 45 E 4.4482 8.6879 120.2797 58.2123 30.6715 176.7946 46 L 4.2442 7.7110 115.0344 55.7743 41.7196 176.8605 47 F 4.7148 7.3166 118.6332 57.3564 40.5512 170.7526 48 P 4.4955 0.0000 0.0000 62.1533 32.3834 176.2066 49 V 4.2712 7.8630 117.7138 61.8256 34.5461 173.1327 50 A 4.7158 8.6296 129.3579 49.6940 21.3563 175.9163 51 A 4.1998 8.5794 122.3400 53.6120 18.7633 176.5338 52 Q 3.2871 8.7232 117.3021 56.6234 29.2086 174.0033 53 D 4.6630 7.6308 118.2011 55.6472 42.2696 175.4754 54 S 5.2584 8.4459 112.7866 56.8902 66.3303 172.8534 55 L 4.9012 9.1780 123.1843 53.3632 45.8499 175.7176 56 T 4.7347 8.8136 121.0195 62.5160 70.0859 174.2288 57 V 4.3896 8.7394 128.0958 61.8507 33.3275 174.6444 58 T 5.1746 8.6823 126.3011 60.8928 70.7044 174.5472 59 I 4.3580 8.6307 127.3996 61.8399 38.8729 175.2847 60 A 5.0878 8.4736 124.7045 52.5545 22.7280 176.9288 61 S 5.0595 8.6816 107.7357 59.3905 68.2414 173.8958 62 S 4.6182 8.0134 116.4117 58.6925 64.6505 178.2739 63 L 3.4265 7.8464 113.5425 55.8796 37.7077 176.0563 *76 T 4.1706 7.5834 114.7885 62.6816 70.3905 173.3868 77 R 3.6546 8.2958 121.9106 55.7181 30.1265 178.3021 78 S 4.6706 8.3976 109.9716 57.6223 61.4963 173.2289 79 W 5.3092 8.5998 127.0998 55.9877 33.8104 174.7906 80 R 4.7066 6.9282 120.7989 53.9316 34.6988 175.5899 81 P 4.3286 0.0000 0.0000 61.4682 31.2964 176.5863 82 P 4.7694 0.0000 0.0000 61.7282 28.8857 175.1788 83 Q 4.3374 8.5211 113.8176 55.6191 27.3606 173.9228 84 A 4.0603 7.9436 119.5701 55.7000 18.9966 178.6669 85 G 3.9070 7.7139 104.2388 43.8270 0.0000 171.5883 86 D 4.5116 7.3383 121.7737 53.8150 44.0416 178.5448 87 R 4.2709 8.2072 116.6749 57.9960 32.2166 177.0078 88 S 4.5657 8.1271 112.0904 58.9130 63.0996 176.1204 89 L 4.2565 7.7950 121.5692 54.4418 38.5670 177.7731 90 A 3.9943 8.1520 120.7279 52.9705 18.9388 177.0730 91 D 5.1945 8.5035 117.2447 52.1887 40.9166 175.9578 92 D 4.8740 8.9431 124.4670 54.5362 41.4142 175.6256 93 Y 4.8746 8.0290 116.0945 56.1947 40.6096 175.8627 94 D 4.7006 8.9965 120.8441 57.3238 41.8834 176.8438 95 Y 4.2190 7.7550 119.8463 56.6041 41.4012 173.5844 96 V 4.9288 7.9839 126.4952 61.6270 34.7097 174.4584 97 M 4.7368 9.0735 127.0515 53.8527 35.7346 174.0900 98 Y 5.0085 8.5543 119.8344 56.7787 42.2325 173.3368 99 G 3.6737 8.4768 115.5822 45.2076 0.0000 170.6283 100 T 4.9261 7.9080 115.5315 61.9962 73.2567 173.0086 101 A 4.7645 8.0567 125.6742 50.7615 19.9909 176.5724 102 Y 4.5463 8.1226 117.3368 55.7760 39.0663 175.5622 103 K 3.8636 6.4421 124.5979 56.3272 31.1919 177.9495 104 F 4.1661 7.7881 116.1711 63.2415 35.6106 178.2628 105 E 3.6275 6.7102 124.3447 57.5767 26.0679 177.9927 106 E 4.5831 8.8253 117.3044 57.8355 30.4696 178.3239 107 V 3.0898 6.6662 112.5629 64.8715 29.1755 172.4495 108 S 4.7932 8.1775 121.6610 55.6959 66.6361 178.0163 109 K 3.7897 8.2737 123.8893 57.6745 31.5928 175.7721 110 D 4.8224 8.6710 123.5346 54.9915 42.6397 174.4700 111 L 5.0091 7.4913 117.6564 53.3481 43.8317 176.5422 112 I 4.6959 8.0986 122.0502 60.3895 40.1355 174.4800 113 A 5.6493 8.3818 123.9150 50.1061 22.5154 175.3902 114 V 4.3753 8.1719 121.9107 60.4269 33.9247 175.7227 115 Y 4.2085 7.8716 120.5895 58.4302 39.4574 172.7810 116 Y 3.5414 7.1481 122.9356 57.4573 38.3585 169.0931 117 S 4.8346 8.7384 118.2792 56.6922 65.4641 172.7094 118 F 4.6323 9.8881 127.9328 56.4506 38.3203 176.5963 119 G 3.9799 9.2116 118.6790 46.3286 0.0000 173.2536 120 G 3.8995 8.1936 110.5249 44.6623 0.0000 174.2063 121 L 4.2991 8.1180 121.3339 54.3402 42.5292 175.8566 122 L 4.9931 8.8018 123.4712 53.3814 44.8533 175.1442 123 M 5.4474 9.3949 120.4432 54.3131 36.7000 174.0313 124 R 4.5037 8.6167 121.6918 55.0159 34.4504 173.4118 125 L 5.4774 8.0977 125.8633 52.3575 43.7660 176.0846 126 E 4.5390 8.7529 125.3520 54.3154 32.0183 179.6556 127 G 4.3630 8.1769 115.8970 46.0619 0.0000 174.8069 128 N 4.3962 7.8468 127.7897 53.9906 43.6431 174.3874 129 Y 4.6726 7.3590 114.3802 57.6413 38.8743 175.2175 130 R 4.7987 7.2113 116.8746 55.8266 30.0133 177.5406 131 N 4.2141 8.5086 116.9883 57.8107 39.4391 176.9606 132 L 4.4521 7.6059 116.9406 53.2117 40.3833 175.0482 133 N 4.9415 7.6687 115.7807 54.4927 45.7800 173.5644 134 N 4.6450 8.3898 116.9466 52.4423 37.9671 175.0333 135 L 3.6143 7.8046 121.9360 53.5988 39.7945 178.0993 136 K 3.9258 8.3799 124.0485 58.3102 31.5829 175.5323 137 Q 4.6376 7.5380 117.2865 54.9554 34.4885 174.6216 138 E 3.8958 9.8011 123.0876 58.1025 27.5859 180.0865 139 N 4.1009 5.7700 106.4379 53.9993 34.9969 171.8375 140 A 4.6699 8.1131 119.6956 50.1251 22.3509 175.5520 141 Y 5.0130 8.9060 119.9036 58.6743 39.9638 174.9248 142 L 5.0762 8.8069 122.5859 53.5779 45.9171 175.1661 143 L 5.5734 8.0690 122.8926 52.9917 46.5750 175.1942 144 I 5.6769 8.5074 122.2720 59.4846 41.7226 174.0822 145 R 5.1420 8.8659 122.0820 54.3020 33.2490 175.5991 146 R 4.3066 8.4895 119.6623 56.7311 30.0850 176.0748 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 S 8.33 4.51 0.00 4.01 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 3 N 8.17 4.55 0.00 2.82 2.81 0.00 0.00 6.83 6.65 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 4 T 8.00 4.82 4.29 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 1.25 0.00 0.00 5 L 8.48 4.73 0.00 1.82 1.95 1.14 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 6 F 7.68 5.01 0.00 3.17 2.78 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 7 D 6.42 4.74 0.00 2.74 2.45 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 8 D 7.74 4.39 0.00 2.20 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 0.00 0.00 0.00 0.00 9 I 9.41 5.26 1.82 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.51 0.94 0.00 0.00 10 F 9.65 5.20 0.00 2.94 3.04 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 11 Q 9.58 4.85 0.00 2.16 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.94 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 12 V 8.39 4.21 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 0.94 0.00 0.00 0.98 0.00 0.00 13 S 9.41 4.32 0.00 3.78 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 14 E 7.70 4.71 0.00 1.89 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 15 V 8.36 4.72 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 0.80 0.00 0.00 0.95 0.00 0.00 16 D 8.68 4.72 0.00 2.83 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 17 P 0.00 4.72 0.00 2.44 2.29 0.00 3.80 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 18 G 7.25 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 0.00 0.00 0.00 19 R 8.72 4.26 0.00 1.66 2.05 0.00 3.32 0.00 0.00 3.18 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.47 0.00 20 Y 6.67 4.70 0.00 3.23 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 21 N 8.76 4.84 0.00 2.73 2.87 0.00 0.00 6.91 7.61 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 22 K 7.94 4.47 0.00 1.72 1.85 0.00 1.61 0.00 0.00 1.89 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.45 7.81 23 V 7.67 4.95 1.98 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 0.78 0.00 0.00 0.87 0.00 0.00 24 C 9.14 4.99 0.00 2.92 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 25 R 9.40 4.84 0.00 1.99 1.86 0.00 3.15 0.00 0.00 3.21 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 26 I 8.45 4.60 2.00 0.00 0.00 0.79 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 0.67 0.89 0.00 0.00 27 E 8.99 4.58 0.00 1.94 1.93 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 2.39 2.47 0.00 28 A 8.48 5.25 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 29 A 9.21 5.11 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 30 S 8.43 4.39 0.00 3.75 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 31 T 7.83 4.07 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 1.21 0.00 0.00 32 T 8.93 3.74 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 1.08 0.00 0.00 33 Q 9.21 4.18 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 34 D 8.89 4.45 0.00 2.65 2.78 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 35 Q 7.69 4.25 0.00 2.26 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.91 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 36 C 8.07 4.68 0.00 3.21 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 37 K 8.83 5.10 0.00 1.90 1.64 0.00 1.75 0.00 0.00 1.77 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.52 1.54 7.81 38 L 8.53 4.96 0.00 1.22 1.21 0.61 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.35 4.79 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 1.28 0.00 0.00 40 L 9.25 4.94 0.00 1.64 1.33 0.85 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.58 5.25 0.00 2.90 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 42 I 8.55 4.67 1.85 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.69 1.02 0.00 0.00 43 N 9.13 5.12 0.00 2.89 2.86 0.00 0.00 6.72 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 44 V 8.89 3.69 2.14 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 0.95 0.00 0.00 0.99 0.00 0.00 45 E 8.69 4.45 0.00 2.17 1.96 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 2.25 2.27 0.00 46 L 7.71 4.24 0.00 1.75 1.72 0.86 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 47 F 7.32 4.71 0.00 3.57 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 48 P 0.00 4.50 0.00 1.95 1.92 0.00 3.37 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.01 0.00 49 V 7.86 4.27 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 0.77 0.00 0.00 1.14 0.00 0.00 50 A 8.63 4.72 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 51 A 8.58 4.20 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 52 Q 8.72 3.29 0.00 2.13 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 53 D 7.63 4.66 0.00 2.88 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 54 S 8.45 5.26 0.00 4.00 3.70 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 55 L 9.18 4.90 0.00 1.69 1.58 0.94 0.73 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 56 T 8.81 4.73 4.30 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 1.30 0.00 0.00 57 V 8.74 4.39 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 0.92 0.00 0.00 0.96 0.00 0.00 58 T 8.68 5.17 4.29 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 1.30 0.00 0.00 59 I 8.63 4.36 1.93 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.82 0.88 0.00 0.00 60 A 8.47 5.09 1.20 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 61 S 8.68 5.06 0.00 4.08 4.02 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 62 S 8.01 4.62 0.00 3.93 3.17 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 0.00 63 L 7.85 3.43 0.00 1.61 1.62 0.90 0.79 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 *76 T 7.58 4.17 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 1.32 0.00 0.00 77 R 8.30 3.65 0.00 1.93 1.92 0.00 3.30 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 78 S 8.40 4.67 0.00 3.87 3.80 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 79 W 8.60 5.31 0.00 3.13 2.97 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 80 R 6.93 4.71 0.00 1.52 1.59 0.00 3.20 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 81 P 0.00 4.33 0.00 1.93 1.27 0.00 3.49 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.01 0.00 82 P 0.00 4.77 0.00 2.29 1.32 0.00 3.79 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.96 0.00 83 Q 8.52 4.34 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.94 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 84 A 7.94 4.06 1.22 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 85 G 7.71 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 0.00 0.00 0.00 86 D 7.34 4.51 0.00 2.79 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 87 R 8.21 4.27 0.00 1.74 1.95 0.00 3.23 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 88 S 8.13 4.57 0.00 3.77 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 89 L 7.80 4.26 0.00 1.73 1.91 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.15 3.99 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 91 D 8.50 5.19 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 92 D 8.94 4.87 0.00 2.41 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.03 4.87 0.00 2.83 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 94 D 9.00 4.70 0.00 2.86 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 Y 7.75 4.22 0.00 2.61 2.36 0.00 0.00 0.00 0.00 0.00 0.00 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 7.98 4.93 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 0.94 0.00 0.00 0.91 0.00 0.00 97 M 9.07 4.74 0.00 1.46 1.47 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.38 0.00 98 Y 8.55 5.01 0.00 2.79 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 99 G 8.48 3.67 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 0.00 0.00 0.00 100 T 7.91 4.93 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 1.15 0.00 0.00 101 A 8.06 4.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 8.12 4.55 0.00 2.79 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 0.00 103 K 6.44 3.86 0.00 2.03 2.48 0.00 1.53 0.00 0.00 1.90 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.22 7.81 104 F 7.79 4.17 0.00 2.88 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 0.00 105 E 6.71 3.63 0.00 1.98 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 2.31 2.35 0.00 106 E 8.83 4.58 0.00 2.12 2.04 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 2.45 2.55 0.00 107 V 6.67 3.09 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 0.71 0.00 0.00 0.87 0.00 0.00 108 S 8.18 4.79 0.00 3.91 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 0.00 109 K 8.27 3.79 0.00 1.85 0.82 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.51 7.81 110 D 8.67 4.82 0.00 2.60 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 0.00 111 L 7.49 5.01 0.00 1.68 1.62 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 112 I 8.10 4.70 1.80 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 1.22 0.80 0.81 0.00 0.00 113 A 8.38 5.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.17 4.38 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 0.66 0.00 0.00 0.42 0.00 0.00 115 Y 7.87 4.21 0.00 2.02 1.71 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 0.00 116 Y 7.15 3.54 0.00 3.21 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 0.00 117 S 8.74 4.83 0.00 3.75 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 0.00 118 F 9.89 4.63 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 0.00 119 G 9.21 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 0.00 0.00 0.00 120 G 8.19 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 0.00 121 L 8.12 4.30 0.00 2.10 1.77 0.99 0.39 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 0.00 122 L 8.80 4.99 0.00 1.73 1.75 0.99 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 123 M 9.39 5.45 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 124 R 8.62 4.50 0.00 1.63 1.51 0.00 2.89 0.00 0.00 2.99 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.50 0.00 125 L 8.10 5.48 0.00 1.47 1.36 0.31 0.55 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 0.00 126 E 8.75 4.54 0.00 2.02 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 2.36 2.27 0.00 127 G 8.18 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.85 4.40 0.00 2.79 2.86 0.00 0.00 6.65 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 0.00 129 Y 7.36 4.67 0.00 3.16 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 0.00 130 R 7.21 4.80 0.00 2.14 2.26 0.00 2.73 0.00 0.00 3.11 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.26 0.00 131 N 8.51 4.21 0.00 2.73 2.90 0.00 0.00 7.23 7.85 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 0.00 132 L 7.61 4.45 0.00 1.67 1.67 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 133 N 7.67 4.94 0.00 2.68 2.92 0.00 0.00 7.26 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 N 8.39 4.64 0.00 2.71 2.82 0.00 0.00 7.14 8.78 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 0.00 135 L 7.80 3.61 0.00 1.77 1.73 1.07 1.05 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 0.00 136 K 8.38 3.93 0.00 1.74 1.89 0.00 1.63 0.00 0.00 1.69 0.00 0.00 3.13 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.58 7.81 137 Q 7.54 4.64 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 138 E 9.80 3.90 0.00 1.89 1.55 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 2.19 2.17 0.00 139 N 5.77 4.10 0.00 2.95 3.19 0.00 0.00 6.66 6.94 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 0.00 140 A 8.11 4.67 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 0.00 141 Y 8.91 5.01 0.00 2.86 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 0.00 142 L 8.81 5.08 0.00 1.49 0.86 0.83 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 143 L 8.07 5.57 0.00 1.21 0.13 0.60 0.12 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 0.00 144 I 8.51 5.68 1.44 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 1.21 0.23 0.00 0.00 145 R 8.87 5.14 0.00 1.84 1.96 0.00 2.87 0.00 0.00 3.07 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.58 0.00 146 R 8.49 4.31 0.00 2.22 1.96 0.00 3.04 0.00 0.00 3.09 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 * Residues marked with a * may have inaccurate shift predictions.