NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 H 4.5672 8.4449 120.3959 57.5008 31.2541 172.7312 4 H 3.9452 8.7961 121.4385 56.7312 26.3022 173.5339 5 H 4.4252 8.1516 115.9255 55.4085 30.6314 175.2943 6 H 4.1758 8.8012 121.8798 56.7950 30.1665 173.9415 7 H 4.7880 8.3141 125.5675 54.4586 31.7904 173.5550 8 H 4.4951 8.2252 128.4373 55.6270 31.6722 173.7586 *10 R 4.4871 8.2456 115.0699 56.4558 31.9278 174.8726 11 K 4.6942 9.2828 120.9596 54.7008 36.6593 175.2545 12 I 4.8511 8.0692 124.2655 59.3977 40.6230 173.9881 13 Y 4.6018 8.9334 129.1861 57.7799 39.8474 174.7609 14 I 4.8186 7.7995 128.7882 59.9079 36.4642 173.9730 15 A 4.2079 8.8449 127.7822 49.5055 20.6548 176.9577 16 G 4.4994 8.1273 113.4294 44.2036 0.0000 171.0234 17 P 4.2108 0.0000 0.0000 62.6076 31.4992 177.8825 18 A 3.6118 7.1154 123.5640 55.3375 18.1927 180.6867 19 V 3.4549 7.3337 114.1218 64.3746 31.1458 176.8831 20 F 4.8098 7.4495 117.1355 57.4493 39.2731 175.8575 21 N 4.5734 7.8398 118.8590 52.5109 38.9004 173.2148 22 P 4.3672 0.0000 0.0000 65.7025 31.8036 177.5884 23 D 4.3619 8.0028 117.2512 55.5488 40.2969 178.2616 *25 G 3.4797 7.8043 107.2731 43.4050 0.0000 173.7517 26 A 4.0618 8.0641 123.0035 55.4732 18.2969 180.1793 27 S 4.0427 8.5604 112.6318 61.6447 62.9717 176.0723 28 Y 3.8722 7.7034 122.6582 60.6515 38.6889 177.3606 29 Y 4.1324 8.0680 118.0041 61.0937 37.9320 178.3462 30 N 4.3118 8.5923 117.8927 56.2225 38.6232 177.6141 31 K 3.8440 7.7033 119.3953 59.2256 32.0608 179.5666 32 V 2.8686 7.3667 118.5576 65.7739 31.3239 178.1335 33 R 3.7649 8.2101 118.0355 59.3042 30.0294 178.6963 34 E 3.8568 8.0686 118.8751 59.0712 29.4114 178.5989 35 L 4.0003 7.4875 119.2647 58.2493 42.5065 178.6884 36 L 3.9773 7.8433 118.9915 57.3018 41.4975 179.0406 37 K 3.8547 8.1392 119.8015 59.7490 31.8396 178.8692 38 K 4.1852 7.6478 116.2148 58.3457 31.8973 177.5364 39 E 4.5895 8.1255 117.3514 55.1924 30.0494 175.4478 40 N 4.3593 7.9213 116.0175 54.8428 38.4489 174.2539 41 V 4.8628 7.1860 114.9409 60.1486 32.7887 172.1708 *43 P 4.2413 0.0000 0.0000 62.7660 32.5927 176.5961 44 L 4.5205 8.9727 123.8309 53.4753 43.2634 175.0907 45 I 4.1732 7.8293 125.2402 58.5939 38.6860 175.3553 46 P 4.7809 0.0000 0.0000 64.8827 31.2640 177.1552 47 T 4.2640 7.3149 104.8324 61.4411 69.4299 174.5944 48 D 4.2397 7.7846 123.7127 56.0916 41.4450 176.1278 49 N 4.0887 8.7596 121.2378 54.0143 36.2864 174.6433 50 E 3.8764 7.9799 117.1621 56.0799 30.4633 176.1840 51 A 4.3862 8.4056 129.4953 52.0203 19.6464 176.4946 52 T 4.3287 8.2451 107.7140 62.6228 70.2595 175.5048 53 E 4.4662 7.8746 121.9200 54.5196 31.7248 176.1750 54 A 3.9985 8.6576 125.9831 55.7554 18.3780 180.0389 55 L 3.9167 7.8854 116.4819 57.8794 41.6213 179.4704 56 D 4.3260 7.9843 118.5543 57.2542 40.9240 178.4974 57 I 3.6699 7.8302 120.3406 64.3835 37.0512 178.3980 58 R 3.8355 8.1817 119.6335 59.5089 29.8469 178.2760 59 Q 3.9393 8.2559 119.4498 59.1063 28.8192 178.1478 60 K 3.9251 8.0381 119.7081 59.5629 32.6117 178.2816 61 N 4.5507 8.3059 116.8342 56.3174 38.4283 177.4595 62 I 3.7120 8.0606 121.5667 64.1202 37.2159 179.2599 63 Q 4.2439 8.1685 119.9329 56.1935 28.7427 178.1683 *65 I 3.8687 7.7724 120.2975 60.7328 39.1102 178.2337 66 K 3.9097 8.0283 118.4148 59.3819 31.8903 177.8008 67 D 4.5874 7.9786 116.7432 55.2613 41.2721 176.5506 68 C 4.5078 7.3533 114.0912 57.7920 30.7046 173.1548 69 D 4.6831 8.7444 120.4805 56.4012 41.3800 176.7067 70 A 4.7646 7.6819 117.6181 50.6974 23.2398 175.0031 71 V 4.8080 8.4798 118.9703 61.3346 34.4124 174.4328 72 I 5.0594 8.5762 128.4854 59.7460 39.3274 174.2391 73 A 5.1489 9.2610 130.0531 50.0955 21.4426 174.8973 74 D 3.4531 8.9613 124.0780 52.8416 41.0491 175.6281 75 L 4.5625 7.9465 127.9443 54.4924 42.1620 177.5873 76 S 4.5069 8.1775 115.2008 57.4715 64.2330 172.4287 77 P 4.4037 0.0000 0.0000 63.5866 31.1133 175.5276 78 F 4.7559 8.7314 123.8244 57.2527 41.4238 174.3595 79 R 3.4694 9.0293 127.9680 56.7005 27.5835 175.4274 80 G 3.6412 7.8396 104.2609 44.7869 0.0000 173.8571 81 H 4.4384 8.4737 116.2092 57.3088 29.3127 175.3918 82 E 4.5520 7.9501 119.7219 54.4897 30.4993 174.3026 83 P 5.1039 0.0000 0.0000 61.4813 32.4283 176.1673 84 D 4.6151 8.4063 119.0542 54.5037 42.4341 176.7362 85 C 4.3966 8.9079 122.1601 61.0611 29.8652 176.3642 86 G 3.6092 8.3015 108.2094 48.0521 0.0000 175.6639 87 T 4.1932 8.6433 119.5835 65.7299 68.3889 176.5416 88 A 3.9575 8.1397 122.6501 55.0718 18.3240 179.2366 89 F 3.9733 8.5608 119.3936 61.7545 38.8918 177.3172 90 E 4.0402 8.4831 118.0462 59.2880 29.1962 179.4337 91 V 3.7298 8.2297 118.8065 65.8751 31.5779 178.3084 92 G 3.4548 8.1715 105.5452 47.8062 0.0000 175.0013 93 C 3.7982 7.9695 121.5365 62.1471 31.4823 175.5736 94 A 3.9486 8.0926 122.0230 54.9703 17.9428 179.3351 95 A 3.8871 8.1931 119.1749 55.4695 18.2879 179.8326 96 A 3.9998 7.7694 117.6454 54.7353 18.4512 178.8100 97 L 4.3106 7.4178 114.5983 53.8640 41.9887 176.3308 98 N 4.3774 7.8801 115.1557 54.3764 38.1132 175.2052 99 K 4.4929 8.0067 125.9701 56.7770 32.3747 180.8730 *101 V 4.1067 8.7498 127.1979 63.6241 32.5762 172.9331 102 L 5.1349 9.2459 128.0684 53.1391 44.7905 175.6629 103 T 5.4396 8.8997 113.0850 60.0214 72.4004 172.6399 104 F 5.8223 8.9900 117.0605 56.1981 42.0383 172.9970 105 T 5.0678 8.8453 113.2535 60.8728 70.2004 173.9668 106 S 4.4226 8.9508 121.1773 59.5968 63.4464 173.9683 107 D 4.5110 8.2076 120.5589 53.2932 42.0172 174.5243 108 R 4.3637 8.4515 124.2412 55.8969 30.8995 177.5582 109 R 4.2260 7.7572 118.6701 56.0747 31.8030 177.8753 110 N 5.1548 8.4369 116.0011 52.4068 38.1453 178.6124 *112 R 4.6207 8.5477 122.8552 57.4198 32.0420 177.4382 113 E 3.9969 8.2564 116.3241 59.3029 29.8414 178.3883 114 K 3.9204 8.1088 117.3700 59.6655 32.0188 178.0430 115 Y 3.9890 7.9582 113.6133 58.4572 38.2029 176.5980 116 G 3.8782 8.9420 107.4133 45.3832 0.0000 172.7211 117 S 4.4776 7.3421 112.3349 57.5419 65.0316 176.2558 118 G 3.9583 8.2716 110.5449 46.3534 0.0000 173.6984 119 V 4.7949 7.5988 112.3991 59.3388 35.8188 175.3863 120 D 4.8163 8.5562 122.2481 52.0926 41.2833 177.0607 121 K 4.0991 8.6952 117.1338 59.5634 32.5542 177.1399 122 D 4.7029 8.4834 118.5074 53.6619 40.8947 175.7553 123 N 4.2549 8.0747 115.8316 54.4027 37.9682 173.4977 124 L 4.4928 7.8194 115.9506 52.9937 43.4090 176.4466 125 R 4.3457 8.5943 122.5754 56.6201 30.7753 175.9867 126 V 4.1336 8.3215 124.3326 60.8143 32.7007 175.5865 127 E 4.1441 9.0250 127.3707 57.1585 30.4556 176.9276 128 G 4.2509 8.2878 109.3744 44.6028 0.0000 172.7017 129 F 4.5965 7.8732 112.5528 56.7520 40.4527 176.0667 130 G 3.8887 8.2566 107.4156 46.7277 0.0000 173.8457 131 L 4.5592 7.4843 117.7031 51.5846 44.7819 175.9262 132 P 4.8066 0.0000 0.0000 63.7854 31.6872 175.3724 133 F 4.8164 7.0213 112.2976 55.4110 40.3229 172.6786 134 N 4.5803 9.3747 117.9686 53.3381 39.2824 175.5049 135 L 4.2301 8.9914 129.5728 55.7869 39.0207 178.3152 *137 L 4.2376 7.5918 115.8686 54.9330 43.9153 176.4968 138 Y 4.8668 8.0452 120.8878 55.8759 40.0973 174.6765 139 D 4.6323 8.3286 124.7659 52.8122 40.1179 176.1861 140 G 3.7031 6.3200 108.4992 45.7817 0.0000 174.8840 141 V 3.6334 7.2049 119.3096 61.8564 32.0859 175.2797 142 E 3.7343 8.3958 126.6975 56.6107 29.7332 176.5231 143 V 3.8548 8.0497 125.1045 62.1150 31.9651 175.8693 144 F 4.6697 8.8495 126.6735 57.2071 39.7469 176.1807 145 D 4.9835 8.7412 120.8862 55.8420 41.6159 177.2155 146 S 4.4029 7.6201 112.5832 55.8470 66.5617 175.2427 147 F 3.1773 7.4867 124.1833 61.2559 39.0076 176.8494 148 E 4.0317 8.1257 118.5544 59.3222 29.4455 178.7735 149 S 4.0775 8.0863 114.1975 61.2734 63.1301 176.3324 150 A 2.5800 7.4290 123.8726 54.3652 18.0347 179.3885 151 F 4.2015 7.9430 119.3726 61.2757 39.4982 177.4949 152 K 3.7505 8.1423 118.3380 59.4396 31.8654 178.6321 153 Y 3.9368 7.6212 119.4338 60.4769 38.6143 177.7086 154 F 4.1539 8.3203 121.5747 61.5775 39.2887 177.1929 155 L 3.7191 7.6954 116.7507 57.5048 41.3661 179.0037 156 A 4.0558 7.4611 119.6219 53.7031 18.5629 177.6959 157 N 4.6315 7.4050 111.5832 53.0550 40.1690 175.0252 158 F 4.2647 7.7006 120.2458 55.3692 39.0937 171.9359 159 P 4.5046 0.0000 0.0000 61.6081 32.7717 177.6035 160 S 4.3814 8.4000 113.6591 58.9503 62.8752 174.4970 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 3 H 8.44 4.57 0.00 3.15 3.25 0.00 5.84 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 H 8.80 3.95 0.00 3.36 3.33 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 H 8.15 4.43 0.00 3.14 3.29 0.00 5.91 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 6 H 8.80 4.18 0.00 3.16 3.28 0.00 5.68 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 7 H 8.31 4.79 0.00 3.07 3.13 0.00 5.97 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 H 8.23 4.50 0.00 3.16 3.24 0.00 6.01 0.00 0.00 0.00 0.00 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *10 R 8.25 4.49 0.00 2.03 2.16 0.00 3.40 0.00 0.00 3.54 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.83 0.00 11 K 9.28 4.69 0.00 1.64 1.63 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.37 7.81 12 I 8.07 4.85 1.67 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.07 0.79 0.00 0.00 13 Y 8.93 4.60 0.00 3.06 2.87 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 14 I 7.80 4.82 1.75 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.89 1.11 0.00 0.00 15 A 8.84 4.21 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 16 G 8.13 4.50 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 0.00 0.00 0.00 17 P 0.00 4.21 0.00 1.75 1.47 0.00 3.45 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.70 0.00 18 A 7.12 3.61 0.51 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 19 V 7.33 3.45 1.91 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 -0.38 0.00 0.00 0.71 0.00 0.00 20 F 7.45 4.81 0.00 3.28 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 21 N 7.84 4.57 0.00 2.82 2.79 0.00 0.00 6.92 7.76 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 22 P 0.00 4.37 0.00 2.04 2.15 0.00 3.68 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 2.05 2.12 0.00 23 D 8.00 4.36 0.00 2.82 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 *25 G 7.80 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.06 4.06 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 27 S 8.56 4.04 0.00 4.03 4.19 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 28 Y 7.70 3.87 0.00 2.82 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 29 Y 8.07 4.13 0.00 2.94 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 30 N 8.59 4.31 0.00 2.71 2.82 0.00 0.00 7.01 6.91 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 31 K 7.70 3.84 0.00 1.70 1.63 0.00 1.60 0.00 0.00 1.50 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.46 7.81 32 V 7.37 2.87 1.74 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 0.59 0.00 0.00 -0.75 0.00 0.00 33 R 8.21 3.76 0.00 1.91 1.89 0.00 3.13 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.76 0.00 34 E 8.07 3.86 0.00 2.08 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 2.27 2.28 0.00 35 L 7.49 4.00 0.00 1.70 1.62 1.06 1.25 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 36 L 7.84 3.98 0.00 1.71 1.82 -0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 37 K 8.14 3.85 0.00 1.96 1.98 0.00 1.52 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.55 7.81 38 K 7.65 4.19 0.00 2.12 1.92 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.67 7.81 39 E 8.13 4.59 0.00 2.32 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 2.45 2.53 0.00 40 N 7.92 4.36 0.00 2.87 2.92 0.00 0.00 6.88 7.83 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 41 V 7.19 4.86 2.25 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 0.85 0.00 0.00 1.34 0.00 0.00 *43 P 0.00 4.24 0.00 1.99 1.93 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.88 0.00 44 L 8.97 4.52 0.00 1.71 1.77 0.97 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 45 I 7.83 4.17 1.68 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.39 -0.26 0.00 0.00 46 P 0.00 4.78 0.00 1.95 2.22 0.00 3.32 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.78 0.00 47 T 7.31 4.26 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 1.20 0.00 0.00 48 D 7.78 4.24 0.00 2.75 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 49 N 8.76 4.09 0.00 2.77 2.82 0.00 0.00 7.01 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 50 E 7.98 3.88 0.00 2.15 1.85 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 2.28 2.29 0.00 51 A 8.41 4.39 1.25 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 0.00 0.00 52 T 8.25 4.33 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 53 E 7.87 4.47 0.00 2.18 1.89 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 2.34 2.36 0.00 54 A 8.66 4.00 1.31 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 0.00 0.00 0.00 55 L 7.89 3.92 0.00 1.69 1.73 0.92 1.08 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 56 D 7.98 4.33 0.00 2.85 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 I 7.83 3.67 2.01 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 1.40 1.03 0.91 0.00 0.00 58 R 8.18 3.84 0.00 1.78 2.04 0.00 2.92 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.49 0.00 59 Q 8.26 3.94 0.00 2.33 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 60 K 8.04 3.93 0.00 1.90 1.95 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.48 7.81 61 N 8.31 4.55 0.00 3.05 2.92 0.00 0.00 7.02 6.63 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 62 I 8.06 3.71 2.01 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.83 0.91 0.00 0.00 63 Q 8.17 4.24 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.39 0.00 0.00 0.00 0.00 0.00 2.35 2.62 0.00 *65 I 7.77 3.87 1.80 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.17 0.79 0.00 0.00 66 K 8.03 3.91 0.00 1.89 1.87 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.57 7.81 67 D 7.98 4.59 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 68 C 7.35 4.51 0.00 3.19 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 69 D 8.74 4.68 0.00 2.42 1.54 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 70 A 7.68 4.76 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 71 V 8.48 4.81 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 1.26 0.00 0.00 1.05 0.00 0.00 72 I 8.58 5.06 1.90 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.85 0.85 0.00 0.00 73 A 9.26 5.15 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 74 D 8.96 3.45 0.00 2.53 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 0.00 0.00 0.00 0.00 75 L 7.95 4.56 0.00 1.39 1.15 0.13 0.53 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 76 S 8.18 4.51 0.00 3.78 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 77 P 0.00 4.40 0.00 2.22 2.13 0.00 3.78 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 78 F 8.73 4.76 0.00 2.86 2.99 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 0.00 0.00 0.00 79 R 9.03 3.47 0.00 1.55 1.68 0.00 2.68 0.00 0.00 2.88 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.50 0.00 80 G 7.84 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 81 H 8.47 4.44 0.00 2.90 3.20 0.00 5.70 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 82 E 7.95 4.55 0.00 2.10 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 2.56 2.39 0.00 83 P 0.00 5.10 0.00 1.97 1.98 0.00 3.82 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.20 0.00 84 D 8.41 4.62 0.00 2.23 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 85 C 8.91 4.40 0.00 3.25 3.24 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 86 G 8.30 3.61 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 0.00 0.00 0.00 87 T 8.64 4.19 4.34 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 1.16 0.00 0.00 88 A 8.14 3.96 1.41 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 0.00 0.00 0.00 89 F 8.56 3.97 0.00 3.18 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 90 E 8.48 4.04 0.00 2.44 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 2.53 2.69 0.00 91 V 8.23 3.73 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 1.06 0.00 0.00 0.99 0.00 0.00 92 G 8.17 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 0.00 0.00 0.00 93 C 7.97 3.80 0.00 2.66 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 94 A 8.09 3.95 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 95 A 8.19 3.89 1.36 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 96 A 7.77 4.00 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 97 L 7.42 4.31 0.00 1.76 1.69 0.87 0.90 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 98 N 7.88 4.38 0.00 2.89 2.91 0.00 0.00 6.93 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 99 K 8.01 4.49 0.00 1.76 1.08 0.00 1.90 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.47 1.53 7.81 *101 V 8.75 4.11 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 1.00 0.00 0.00 102 L 9.25 5.13 0.00 1.65 1.64 1.22 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 103 T 8.90 5.44 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 1.26 0.00 0.00 104 F 8.99 5.82 0.00 3.37 3.33 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 0.00 105 T 8.85 5.07 4.58 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 0.00 0.00 0.00 1.38 0.00 0.00 106 S 8.95 4.42 0.00 4.13 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 0.00 107 D 8.21 4.51 0.00 2.65 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 0.00 108 R 8.45 4.36 0.00 1.82 1.91 0.00 3.55 0.00 0.00 3.34 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 109 R 7.76 4.23 0.00 1.87 1.90 0.00 3.11 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 110 N 8.44 5.15 0.00 2.72 2.24 0.00 0.00 6.87 7.29 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 *112 R 8.55 4.62 0.00 1.89 2.02 0.00 3.36 0.00 0.00 3.27 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.80 0.00 113 E 8.26 4.00 0.00 2.12 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 2.30 2.31 0.00 114 K 8.11 3.92 0.00 1.58 1.19 0.00 1.70 0.00 0.00 1.67 0.00 0.00 3.29 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.37 1.53 7.81 115 Y 7.96 3.99 0.00 2.97 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 0.00 116 G 8.94 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.34 4.48 0.00 3.83 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 0.00 118 G 8.27 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 0.00 119 V 7.60 4.79 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 0.76 0.00 0.00 0.92 0.00 0.00 120 D 8.56 4.82 0.00 2.92 2.51 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 0.00 121 K 8.70 4.10 0.00 1.91 2.04 0.00 1.56 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.46 1.49 7.81 122 D 8.48 4.70 0.00 2.77 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 0.00 123 N 8.07 4.25 0.00 2.85 2.89 0.00 0.00 7.07 7.93 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 0.00 124 L 7.82 4.49 0.00 1.89 1.51 0.91 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 0.00 125 R 8.59 4.35 0.00 1.68 1.85 0.00 3.18 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 126 V 8.32 4.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.44 0.00 0.00 127 E 9.03 4.14 0.00 2.20 2.21 0.00 0.00 0.00 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 2.40 0.00 128 G 8.29 4.25 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 0.00 0.00 0.00 129 F 7.87 4.60 0.00 2.97 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 0.00 130 G 8.26 3.89 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 0.00 0.00 0.00 131 L 7.48 4.56 0.00 1.57 1.21 0.76 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 132 P 0.00 4.81 0.00 1.79 2.13 0.00 2.65 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.38 0.00 133 F 7.02 4.82 0.00 3.10 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 9.37 4.58 0.00 2.80 2.91 0.00 0.00 7.36 7.78 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 8.99 4.23 0.00 1.75 1.74 0.76 -0.49 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 *137 L 7.59 4.24 0.00 1.81 1.48 0.69 0.76 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 0.00 138 Y 8.05 4.87 0.00 3.03 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 0.00 139 D 8.33 4.63 0.00 2.68 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 0.00 140 G 6.32 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 0.00 0.00 0.00 141 V 7.20 3.63 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.95 0.00 0.00 142 E 8.40 3.73 0.00 1.76 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 1.61 2.09 0.00 143 V 8.05 3.85 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 1.06 0.00 0.00 1.09 0.00 0.00 144 F 8.85 4.67 0.00 3.41 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 0.00 145 D 8.74 4.98 0.00 2.77 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 0.00 146 S 7.62 4.40 0.00 3.92 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 0.00 147 F 7.49 3.18 0.00 2.76 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 0.00 148 E 8.13 4.03 0.00 2.14 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 2.43 2.49 0.00 149 S 8.09 4.08 0.00 4.25 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 0.00 150 A 7.43 2.58 1.13 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 0.00 0.00 151 F 7.94 4.20 0.00 2.61 3.09 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 0.00 152 K 8.14 3.75 0.00 1.96 1.80 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.63 7.81 153 Y 7.62 3.94 0.00 2.93 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 0.00 154 F 8.32 4.15 0.00 3.25 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 L 7.70 3.72 0.00 1.55 1.52 0.35 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 156 A 7.46 4.06 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 N 7.41 4.63 0.00 2.39 2.61 0.00 0.00 6.69 7.40 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 0.00 158 F 7.70 4.26 0.00 2.42 1.64 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 0.00 159 P 0.00 4.50 0.00 2.14 1.94 0.00 3.50 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.84 0.00 160 S 8.40 4.38 0.00 3.93 3.89 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 * Residues marked with a * may have inaccurate shift predictions.