NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 H 4.7259 8.4449 116.3164 55.7297 29.7842 171.4971 -1 H 4.8072 8.3845 116.1054 53.8568 32.7119 171.1726 0 H 4.9589 8.5609 117.6721 54.6549 33.8707 173.4079 0 K 4.5489 8.4309 119.8721 55.8549 37.9707 175.9079 3 V 4.4566 8.3681 124.1344 61.7541 32.5075 175.0650 4 I 4.5718 8.8580 128.9143 59.3755 40.2226 174.5835 5 E 4.5301 8.8583 126.9485 56.2623 29.8873 176.1758 6 T 4.6802 8.1318 115.0000 59.4924 71.0155 174.5794 7 K 3.8024 9.1595 125.1750 59.0627 32.2063 177.3686 8 Y 4.8020 7.6988 112.6092 57.9277 39.7436 176.2000 9 S 4.6588 7.9249 113.8179 57.3336 64.8342 176.1510 10 G 3.8180 7.9039 109.7727 45.3182 0.0000 172.3798 11 K 4.7919 8.5619 120.1272 56.2365 32.9298 176.7801 12 L 4.9096 8.9407 124.3010 52.9390 45.8067 175.0640 13 E 5.0566 8.6847 120.4968 54.9336 31.0105 175.6626 14 V 4.5406 8.2518 123.6181 60.4619 34.6721 175.0832 15 A 4.3263 8.7049 130.0197 52.3584 19.0944 178.3911 16 E 4.0466 9.1289 121.2747 59.3064 29.7407 178.5345 17 D 4.7612 8.0432 115.7008 54.5143 39.7286 176.8688 18 R 4.2476 7.8666 118.4913 57.0115 30.5511 176.2118 19 L 4.3482 7.8347 119.5864 54.4461 42.3243 176.4235 20 I 4.4901 9.1149 126.1928 59.6865 38.9834 175.0309 21 A 4.7712 8.8429 130.2657 51.9273 19.3212 177.6152 22 F 4.9784 9.2839 122.8941 54.7655 38.6031 176.1763 23 D 4.5993 8.6532 122.9245 56.8619 41.1279 177.5403 24 Q 4.4912 8.2690 115.5405 54.6982 29.6647 177.6347 25 G 4.3198 8.4509 106.7659 46.4603 0.0000 173.5079 26 I 4.7676 8.0946 120.7649 58.4228 41.0330 172.9358 27 P 4.4993 0.0000 0.0000 64.4554 31.4779 176.9080 28 A 3.7093 9.2350 123.6032 52.5380 17.3405 177.4205 29 F 5.0233 8.2942 114.6509 56.6673 39.5695 176.5642 30 E 4.2061 8.2076 121.5331 59.0607 29.9531 178.9445 31 D 4.5577 8.1224 116.0979 54.1788 40.1835 176.3651 32 E 4.2937 8.3197 121.4347 55.7930 28.4850 176.2733 33 K 4.9649 8.3084 122.3415 56.3470 34.0301 175.7481 34 E 5.3326 7.5682 121.7193 54.9925 33.2477 173.7035 35 F 5.2530 9.5438 124.2100 55.8377 44.2637 173.5952 36 V 4.7798 8.8627 119.5564 61.0926 34.8673 174.0204 37 L 4.6292 8.6887 129.5060 54.5315 43.0262 175.8497 38 L 4.7524 9.1123 127.4776 52.3375 43.2275 174.1422 39 P 4.4633 0.0000 0.0000 62.1883 31.7871 176.1002 40 F 4.5035 8.9770 125.8736 60.1917 39.0450 174.6217 41 A 4.2098 7.4582 118.6652 50.2345 21.9107 175.2729 42 A 4.1085 8.3573 123.4399 54.2546 18.6207 178.5742 43 G 3.9843 9.0605 109.8943 45.4209 0.0000 173.2297 44 T 4.7264 7.5397 109.3259 59.3810 71.2424 171.9311 45 P 4.9483 0.0000 0.0000 63.2919 32.8036 174.0593 46 Y 5.3654 7.5523 116.7507 57.4130 40.5559 174.4352 47 Y 5.4828 9.1486 119.4334 57.2648 43.4974 173.6343 48 T 5.1486 9.1202 110.8055 59.9935 72.4547 172.9603 49 L 5.0068 9.2017 126.6139 53.8588 43.7037 174.4671 50 Q 4.9654 8.9194 129.1041 54.1088 30.9808 174.6899 51 S 3.7802 8.7096 122.7608 58.4450 62.6011 174.1958 52 T 4.1645 8.2118 116.4377 62.4610 69.0235 175.1233 53 K 4.3456 7.6523 120.1500 56.4778 34.2616 176.1619 54 T 4.4142 7.3478 114.7430 61.1544 70.3823 174.5057 55 V 3.4892 8.3955 127.2443 64.5421 31.3912 176.8312 56 D 4.2746 7.8707 116.5966 54.0640 41.2728 175.1488 57 L 4.2859 7.6893 121.4543 54.2366 42.9559 175.0860 58 A 4.8348 7.6812 127.8542 50.6810 22.2170 174.8844 59 F 4.5617 8.9851 122.4832 56.4072 41.0352 175.2976 60 I 4.8060 8.5062 124.9230 60.8001 38.4082 174.9527 61 I 5.3164 9.1120 120.1127 59.3243 41.5389 174.5302 62 V 5.2017 8.6079 115.0078 59.3717 36.4988 174.8965 63 N 4.9158 9.2925 121.9980 52.7304 38.8980 174.0999 64 P 4.3955 0.0000 0.0000 65.6173 31.1987 178.0898 65 F 4.6656 7.8695 116.6667 60.0286 38.8728 177.0952 66 S 4.2093 7.9490 113.5264 60.0513 62.4121 174.7127 67 F 4.1446 7.7133 119.3029 57.3406 40.8353 174.3672 68 F 5.0079 7.9321 118.9503 54.5734 39.7958 173.4574 69 P 4.3628 0.0000 0.0000 65.3447 31.3073 177.6186 70 E 4.4450 8.2149 114.3643 56.5225 30.0088 175.8190 71 Y 4.4456 8.0550 121.5587 57.7221 39.3607 175.2770 72 R 4.6222 8.1271 124.8344 54.3182 34.2581 174.7054 73 V 4.0878 8.3240 122.5000 61.4706 33.3715 175.6537 74 K 4.2904 8.5817 129.2673 53.3202 32.1668 172.5228 75 L 4.4086 8.3350 125.3681 52.1796 42.3061 175.9252 76 P 4.4743 0.0000 0.0000 62.0305 33.4151 177.0465 77 E 3.9459 8.8225 119.6248 59.8834 29.3649 179.7081 78 A 4.0176 7.9625 120.0249 55.4351 18.4713 179.7344 79 T 3.8300 7.7939 113.8052 66.7572 68.6702 176.8243 80 I 3.6816 7.8213 121.5603 64.3105 37.0950 178.4101 81 A 3.9536 8.1162 121.4818 55.2196 18.0543 179.2999 82 Q 3.9451 7.9833 116.8416 58.8730 29.0939 177.7929 83 L 4.4583 7.6593 116.6204 53.2706 42.1975 175.9425 84 N 4.1820 7.8599 114.8700 54.1733 36.7235 174.4979 85 I 4.0993 7.7439 118.5417 61.1094 37.8569 176.3856 86 T 4.5678 8.3722 114.3460 61.4495 70.6695 173.8262 87 N 4.9142 8.1122 120.7233 51.8130 40.3499 175.4110 88 E 3.9446 9.1289 116.9063 59.5102 29.7352 179.7719 89 N 4.5197 8.2328 115.1099 55.7288 38.8559 176.0239 90 D 4.4353 8.4402 118.9650 56.5465 41.1290 176.1617 91 V 4.5922 7.5592 118.5961 60.9646 33.0788 175.0444 92 A 4.7195 9.0551 129.7397 50.0900 21.7131 174.8324 93 I 4.7278 7.8836 122.1704 59.4952 39.7327 175.0762 94 F 5.0880 8.9959 123.6782 55.9500 43.9636 173.7773 95 S 4.9584 9.0633 116.1064 56.5920 67.0352 173.5728 96 L 4.5979 8.3691 123.8189 54.6590 42.5904 176.2941 97 L 4.6224 8.7596 124.5306 54.7858 43.1431 177.0267 98 T 4.4446 8.7452 120.2864 61.8397 69.9029 173.7228 99 V 4.1616 8.3199 127.0937 62.5262 32.3780 175.1600 100 K 4.7835 8.9020 125.9609 54.5116 36.6526 174.7058 101 E 4.6861 8.5785 121.8804 53.6309 31.2317 173.9542 102 P 4.5993 0.0000 0.0000 62.0114 32.5542 176.9049 103 F 4.4827 9.2361 121.0483 60.7178 39.3338 177.3809 104 S 4.2470 8.2688 113.7887 60.7524 62.6398 174.5599 105 E 4.3885 8.0468 118.8311 56.4059 29.8224 176.4157 106 T 4.1263 7.6779 117.7740 64.3536 69.5922 173.3498 107 T 5.0210 8.3997 114.4627 59.8575 72.6514 172.9129 108 V 4.6254 8.4655 121.4978 61.0916 34.9360 174.1294 109 N 4.8852 8.7287 127.0578 52.2559 38.1694 174.3994 110 L 4.1031 8.4229 125.2305 55.2497 41.9548 177.7794 111 Q 4.4104 8.5075 118.2827 56.6023 29.9930 175.2731 112 A 5.5123 7.8258 119.4148 48.4443 18.1255 173.9417 113 P 4.5627 0.0000 0.0000 62.0461 33.6401 177.2115 114 I 4.4938 8.7772 123.5023 61.1829 38.7173 175.0089 115 V 4.7816 9.0175 126.9065 61.1631 34.2479 174.1758 116 I 4.7443 8.8594 128.4131 59.5829 40.5328 174.2562 117 N 5.1323 8.8894 125.3535 51.1219 38.8988 174.8756 118 A 4.1029 8.5247 129.7167 54.9007 19.1236 179.3303 119 N 4.2853 8.4320 112.3138 56.1702 38.5731 175.9372 120 K 4.2629 7.8226 112.8484 55.1947 32.7479 175.7105 121 Q 3.1331 7.7944 119.6161 56.1224 25.9229 173.0733 *123 G 3.1151 7.8513 110.0478 44.9553 0.0000 169.0651 124 K 4.5856 7.8542 117.4444 56.0487 36.5945 173.9399 125 Q 4.8929 8.6696 121.8792 54.5544 30.4253 174.0115 126 L 4.5620 9.0066 129.5473 53.6163 44.0250 175.0098 127 V 4.4339 8.3248 126.6453 61.5419 32.5208 174.9362 128 L 4.2568 8.9799 129.7916 54.5408 41.9124 177.0604 129 G 3.7753 8.9868 115.0504 48.3700 0.0000 175.3686 130 D 4.8084 8.0509 116.2481 53.0898 39.6327 177.5719 131 T 4.3505 7.3996 109.3474 61.3014 70.6558 174.0688 132 A 4.5633 7.7255 122.8586 52.1598 19.2952 176.9604 133 Y 4.5872 7.1988 116.2455 59.1828 38.8771 174.7122 134 N 4.8792 8.3860 120.3290 52.1222 40.5360 176.0983 135 R 4.3468 8.4398 122.9963 57.9045 30.7920 176.7062 136 K 4.7360 8.3940 118.0143 55.2203 33.1602 176.8248 137 Q 3.8393 7.7714 120.1705 55.4239 29.8404 173.6603 138 P 4.4650 0.0000 0.0000 62.4232 31.8926 177.0337 139 L 3.7734 8.3978 125.9271 57.5689 41.9479 177.6313 140 F 4.8734 7.8074 114.3928 56.9940 37.7598 175.1796 141 Q 4.5916 7.9898 123.7750 53.9898 28.9391 175.9425 142 K 4.5592 8.9937 127.8188 59.2322 32.3881 178.6105 143 E 4.3690 7.5511 112.8407 54.9930 30.2923 179.0431 144 L 4.2382 8.4356 124.2568 53.7107 42.3632 176.8897 145 V 3.6773 8.8470 126.6737 62.8071 31.8543 176.6035 *146 L 4.1530 8.4482 126.3796 54.5677 41.4527 172.8875 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 H 8.44 4.73 0.00 3.22 3.35 0.00 5.44 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 H 8.38 4.81 0.00 3.15 3.23 0.00 5.84 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 H 8.56 4.96 0.00 3.07 3.30 0.00 5.65 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 K 8.43 4.55 0.00 1.62 1.89 0.00 0.61 0.00 0.00 1.85 0.00 0.00 2.13 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.35 7.81 3 V 8.37 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 0.93 0.00 0.00 0.93 0.00 0.00 4 I 8.86 4.57 1.87 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 1.39 0.86 0.89 0.00 0.00 5 E 8.86 4.53 0.00 1.81 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 2.29 2.22 0.00 6 T 8.13 4.68 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 1.26 0.00 0.00 7 K 9.16 3.80 0.00 1.53 1.14 0.00 1.49 0.00 0.00 0.99 0.00 0.00 2.77 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.35 1.00 7.81 8 Y 7.70 4.80 0.00 3.01 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 9 S 7.92 4.66 0.00 3.89 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 10 G 7.90 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.56 4.79 0.00 1.65 1.76 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.61 7.81 12 L 8.94 4.91 0.00 1.56 1.53 0.96 0.89 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 13 E 8.68 5.06 0.00 1.84 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 2.23 2.28 0.00 14 V 8.25 4.54 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 0.83 0.00 0.00 0.96 0.00 0.00 15 A 8.70 4.33 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 16 E 9.13 4.05 0.00 2.09 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 2.43 2.35 0.00 17 D 8.04 4.76 0.00 2.79 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 18 R 7.87 4.25 0.00 2.03 2.07 0.00 3.20 0.00 0.00 3.27 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 19 L 7.83 4.35 0.00 1.66 1.68 0.98 0.95 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 20 I 9.11 4.49 2.28 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 1.27 1.31 0.90 0.00 0.00 21 A 8.84 4.77 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 22 F 9.28 4.98 0.00 3.16 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.65 4.60 0.00 2.69 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 24 Q 8.27 4.49 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.10 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 25 G 8.45 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 I 8.09 4.77 1.97 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.62 0.80 0.00 0.00 27 P 0.00 4.50 0.00 2.08 2.04 0.00 4.00 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 28 A 9.24 3.71 1.12 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 0.00 0.00 29 F 8.29 5.02 0.00 3.23 3.14 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 30 E 8.21 4.21 0.00 2.12 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 0.00 2.44 2.43 0.00 31 D 8.12 4.56 0.00 2.82 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 32 E 8.32 4.29 0.00 2.46 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 2.44 2.64 0.00 33 K 8.31 4.96 0.00 1.72 1.91 0.00 1.96 0.00 0.00 1.86 0.00 0.00 2.82 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.70 1.41 7.81 34 E 7.57 5.33 0.00 2.01 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 2.29 2.53 0.00 35 F 9.54 5.25 0.00 2.89 2.79 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 0.00 0.00 0.00 36 V 8.86 4.78 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 1.07 0.00 0.00 1.04 0.00 0.00 37 L 8.69 4.63 0.00 1.62 1.59 0.14 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 38 L 9.11 4.75 0.00 1.68 1.67 0.99 0.88 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 39 P 0.00 4.46 0.00 1.94 1.93 0.00 3.78 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.40 0.00 40 F 8.98 4.50 0.00 2.97 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 41 A 7.46 4.21 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.36 4.11 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 43 G 9.06 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 44 T 7.54 4.73 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 45 P 0.00 4.95 0.00 2.19 2.21 0.00 3.83 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 1.73 1.64 0.00 46 Y 7.55 5.37 0.00 3.07 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 47 Y 9.15 5.48 0.00 2.83 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 48 T 9.12 5.15 4.46 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 1.36 0.00 0.00 49 L 9.20 5.01 0.00 1.64 1.65 0.88 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 50 Q 8.92 4.97 0.00 2.25 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 51 S 8.71 3.78 0.00 3.43 3.79 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 0.00 0.00 0.00 52 T 8.21 4.16 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 1.17 0.00 0.00 53 K 7.65 4.35 0.00 1.65 1.79 0.00 1.62 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.23 1.43 7.81 54 T 7.35 4.41 4.13 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 1.17 0.00 0.00 55 V 8.40 3.49 2.01 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 0.61 0.00 0.00 0.82 0.00 0.00 56 D 7.87 4.27 0.00 2.55 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 57 L 7.69 4.29 0.00 1.69 1.38 0.19 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 58 A 7.68 4.83 1.14 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 0.00 0.00 59 F 8.99 4.56 0.00 2.89 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 60 I 8.51 4.81 1.96 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 1.42 0.80 1.01 0.00 0.00 61 I 9.11 5.32 2.03 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.03 1.00 0.00 0.00 62 V 8.61 5.20 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 0.33 0.00 0.00 0.71 0.00 0.00 63 N 9.29 4.92 0.00 3.00 2.89 0.00 0.00 7.27 7.20 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 64 P 0.00 4.40 0.00 1.91 2.02 0.00 3.48 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 1.16 1.74 0.00 65 F 7.87 4.67 0.00 3.20 3.08 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 66 S 7.95 4.21 0.00 3.64 3.51 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 67 F 7.71 4.14 0.00 2.04 1.63 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 68 F 7.93 5.01 0.00 3.10 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 69 P 0.00 4.36 0.00 2.12 2.19 0.00 3.97 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 70 E 8.21 4.45 0.00 2.11 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 0.00 2.38 2.32 0.00 71 Y 8.05 4.45 0.00 2.92 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 72 R 8.13 4.62 0.00 1.82 1.71 0.00 3.25 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 1.80 1.70 0.00 73 V 8.32 4.09 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 0.79 0.00 0.00 0.68 0.00 0.00 74 K 8.58 4.29 0.00 1.81 1.60 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.32 1.02 7.81 75 L 8.34 4.41 0.00 1.61 1.64 0.91 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.47 0.00 2.15 1.96 0.00 3.61 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 77 E 8.82 3.95 0.00 1.96 2.01 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 2.40 2.33 0.00 78 A 7.96 4.02 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 79 T 7.79 3.83 4.38 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 1.19 0.00 0.00 80 I 7.82 3.68 2.01 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 1.44 0.90 0.94 0.00 0.00 81 A 8.12 3.95 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 82 Q 7.98 3.95 0.00 2.16 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.07 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 83 L 7.66 4.46 0.00 1.62 1.60 0.85 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 84 N 7.86 4.18 0.00 2.85 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 85 I 7.74 4.10 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.61 0.92 0.00 0.00 86 T 8.37 4.57 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 87 N 8.11 4.91 0.00 2.91 2.89 0.00 0.00 6.34 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 88 E 9.13 3.94 0.00 1.91 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 2.33 1.95 0.00 89 N 8.23 4.52 0.00 2.81 2.91 0.00 0.00 6.90 8.06 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 90 D 8.44 4.44 0.00 2.88 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 91 V 7.56 4.59 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 0.73 0.00 0.00 0.92 0.00 0.00 92 A 9.06 4.72 1.17 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 0.00 0.00 93 I 7.88 4.73 1.63 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 1.44 1.19 0.73 0.00 0.00 94 F 9.00 5.09 0.00 2.84 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 95 S 9.06 4.96 0.00 3.59 3.69 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 96 L 8.37 4.60 0.00 1.60 1.60 0.74 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.76 4.62 0.00 1.67 1.59 1.06 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 98 T 8.75 4.44 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 1.22 0.00 0.00 99 V 8.32 4.16 2.15 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 0.94 0.00 0.00 1.04 0.00 0.00 100 K 8.90 4.78 0.00 1.78 1.66 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.74 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.34 7.81 101 E 8.58 4.69 0.00 1.90 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 2.19 2.33 0.00 102 P 0.00 4.60 0.00 2.31 2.19 0.00 3.79 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.97 0.00 103 F 9.24 4.48 0.00 3.09 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 0.00 104 S 8.27 4.25 0.00 4.03 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 0.00 105 E 8.05 4.39 0.00 2.13 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 2.31 2.29 0.00 106 T 7.68 4.13 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 1.03 0.00 0.00 107 T 8.40 5.02 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 108 V 8.47 4.63 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 0.78 0.00 0.00 0.76 0.00 0.00 109 N 8.73 4.89 0.00 2.73 2.69 0.00 0.00 7.15 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 0.00 110 L 8.42 4.10 0.00 1.49 1.17 -0.21 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 111 Q 8.51 4.41 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 112 A 7.83 5.51 1.17 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 0.00 0.00 113 P 0.00 4.56 0.00 2.13 2.23 0.00 3.92 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.04 0.00 114 I 8.78 4.49 2.03 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.75 1.07 0.00 0.00 115 V 9.02 4.78 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 0.96 0.00 0.00 0.92 0.00 0.00 116 I 8.86 4.74 2.06 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.80 1.00 0.00 0.00 117 N 8.89 5.13 0.00 2.73 2.67 0.00 0.00 7.57 8.15 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 0.00 118 A 8.52 4.10 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 0.00 119 N 8.43 4.29 0.00 2.92 2.92 0.00 0.00 6.81 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 0.00 120 K 7.82 4.26 0.00 1.75 1.82 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.72 7.81 121 Q 7.79 3.13 0.00 2.29 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.45 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 *123 G 7.85 3.12 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 0.00 0.00 0.00 124 K 7.85 4.59 0.00 1.82 1.79 0.00 1.25 0.00 0.00 1.54 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.24 1.35 7.81 125 Q 8.67 4.89 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.77 0.00 0.00 0.00 0.00 0.00 2.25 2.49 0.00 126 L 9.01 4.56 0.00 1.76 1.52 0.93 0.70 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 0.00 127 V 8.32 4.43 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 0.87 0.00 0.00 0.94 0.00 0.00 128 L 8.98 4.26 0.00 1.71 1.67 1.12 0.80 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 0.00 129 G 8.99 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 0.00 0.00 0.00 130 D 8.05 4.81 0.00 2.71 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 0.00 131 T 7.40 4.35 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 1.25 0.00 0.00 132 A 7.73 4.56 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 0.00 133 Y 7.20 4.59 0.00 3.00 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 0.00 134 N 8.39 4.88 0.00 2.86 2.57 0.00 0.00 6.99 7.65 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 0.00 135 R 8.44 4.35 0.00 1.90 1.93 0.00 3.12 0.00 0.00 3.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 136 K 8.39 4.74 0.00 1.71 1.69 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.31 7.81 137 Q 7.77 3.84 0.00 1.79 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.80 6.98 0.00 0.00 0.00 0.00 0.00 1.16 2.00 0.00 138 P 0.00 4.46 0.00 2.25 1.98 0.00 3.62 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 2.26 2.06 0.00 139 L 8.40 3.77 0.00 1.08 0.85 -0.40 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 140 F 7.81 4.87 0.00 3.14 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 0.00 141 Q 7.99 4.59 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.74 0.00 0.00 0.00 0.00 0.00 2.57 2.36 0.00 142 K 8.99 4.56 0.00 1.89 2.00 0.00 1.90 0.00 0.00 1.33 0.00 0.00 3.03 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.66 1.49 7.81 143 E 7.55 4.37 0.00 1.96 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 0.00 2.26 2.15 0.00 144 L 8.44 4.24 0.00 1.73 1.73 1.25 0.72 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 0.00 145 V 8.85 3.68 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 0.70 0.00 0.00 0.95 0.00 0.00 *146 L 8.45 4.15 0.00 1.45 1.47 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.