NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.5608 8.3149 120.0857 56.3719 33.6479 174.6777 6 I 4.4907 9.2137 125.1409 58.6032 41.3643 169.0256 7 V 4.8837 9.0915 125.5742 61.3269 34.2782 173.8787 8 L 5.0647 8.6608 127.5474 53.0300 44.4239 175.6816 9 K 4.6413 8.7510 124.9151 55.0320 33.6376 176.9356 10 S 4.5790 8.4535 119.8400 57.3890 64.1961 174.3056 11 S 4.6066 8.5736 113.6681 58.5124 61.4895 174.1037 12 D 4.5555 7.9789 117.8463 52.2746 39.1245 174.6335 13 G 3.8790 8.4113 111.1966 47.7199 0.0000 173.5394 14 E 4.8812 8.0511 122.0917 54.5992 32.4204 174.0389 15 S 4.3620 8.4674 117.9807 59.1961 64.3965 173.7242 16 F 4.5747 8.8639 121.4821 55.4944 42.0808 173.9997 17 E 4.3953 8.9393 126.0344 55.9137 29.7975 175.9899 18 V 4.6967 8.6929 119.9543 59.3378 36.4472 175.7141 19 E 4.3670 8.6832 122.0508 55.8171 29.7703 176.6734 20 E 3.8100 8.4745 118.9843 60.5625 29.1564 178.8270 21 A 4.1637 7.7146 121.8638 54.3142 18.9017 179.3835 22 V 3.6498 7.6785 116.8510 66.0153 31.6389 177.7867 23 A 4.1050 7.8718 119.5914 54.2654 18.0173 178.5754 24 L 4.3621 7.2631 114.2832 55.5829 41.9653 177.8134 25 E 3.9491 7.7684 119.5830 58.9480 29.7515 177.0488 26 S 4.3604 7.7293 113.1970 57.2758 61.8643 174.4560 27 Q 4.2419 8.6392 127.2135 57.8861 28.7070 178.6535 28 T 4.0735 7.6218 114.7895 65.7254 68.9371 176.2231 29 I 3.9334 7.4798 120.0166 63.0852 38.0587 177.2566 30 A 4.0502 8.3290 124.1429 55.7842 18.2365 179.2940 31 H 4.3435 7.8871 107.8082 56.9344 27.9730 175.7458 32 M 4.8441 7.8967 117.2303 55.3680 32.9479 176.3598 33 V 4.2956 7.9045 108.7739 61.5866 31.3757 176.5230 34 E 4.2733 7.3696 119.7757 58.3822 30.3974 177.5164 35 D 4.6379 7.7759 119.3407 53.3869 39.1455 174.9787 36 D 4.9474 7.8724 121.5253 54.4731 38.7789 176.7296 37 C 4.5161 8.6777 122.6953 60.8335 28.4280 175.9749 38 V 3.7563 7.4396 119.9046 64.9567 31.4161 177.4762 39 D 4.3866 8.2978 118.8665 57.7253 40.6108 177.3829 40 N 4.7935 7.8739 113.4167 52.5619 38.8660 173.1501 41 G 4.0643 8.1431 111.0220 44.6726 0.0000 174.6131 42 V 3.8581 8.1905 122.3385 60.8880 32.4199 173.3147 43 P 4.9700 0.0000 0.0000 61.8430 32.0872 176.1822 44 L 4.8333 8.8617 125.2122 53.1118 41.6102 174.1421 45 P 4.7397 0.0000 0.0000 63.5659 31.5782 176.8605 46 N 4.6501 7.8294 112.9626 53.1057 39.2433 174.2599 47 V 4.2545 7.3774 119.2924 60.6071 33.4728 174.7506 48 T 4.2150 8.4417 121.3308 62.6549 69.0218 174.4013 49 S 4.1180 8.8048 120.9380 61.3094 62.1311 176.1001 50 K 3.9068 8.2330 121.9541 59.7875 31.7265 178.6033 51 I 3.7629 7.5286 119.1720 64.3698 37.2738 177.6422 52 L 3.8042 7.9929 121.0167 58.2183 41.6606 178.6658 53 A 3.9859 7.8616 120.3741 55.4943 18.2562 179.7629 54 K 4.1575 7.8435 115.3831 59.6056 32.1112 179.9109 55 V 3.7597 7.9930 118.6392 66.1479 31.5378 178.1996 56 I 3.7537 7.9988 119.7434 64.2694 36.7984 177.8384 57 E 4.0436 8.3911 120.2940 59.5220 29.4202 178.4355 58 Y 3.9017 7.8351 119.4065 60.9720 38.9421 177.6869 59 C 3.9981 8.1563 117.6549 62.5404 28.0563 175.4950 60 K 3.6861 8.4907 121.5038 60.0852 31.4420 178.5928 61 R 3.4723 7.2752 117.4848 59.5509 29.9364 178.0475 62 H 3.9928 7.5703 115.2966 58.5031 28.8576 177.5776 63 V 3.6894 7.7615 120.1544 65.5207 31.4064 177.1513 64 E 4.3388 7.7038 118.6051 56.7572 28.6622 176.9733 65 A 4.6558 7.8713 118.3269 51.9790 19.5969 178.7787 66 A 4.0987 7.9652 121.7725 56.6134 19.6065 181.0112 67 A 4.4180 7.2791 118.6000 51.6970 17.8467 179.4649 *80 D 4.6505 8.7260 115.5614 56.3628 42.8629 177.2199 81 D 4.3200 8.1295 118.2799 57.2747 41.6211 177.0497 82 D 4.7147 7.9754 116.1660 54.9491 41.7612 178.2305 83 L 4.0597 7.7204 120.8272 57.7719 41.9298 179.1320 84 K 4.1890 8.2528 117.4478 59.5940 31.8445 178.5612 85 A 4.0528 7.6038 118.7135 54.7198 18.3213 179.1705 86 W 4.1975 8.4390 125.2332 60.6594 30.7202 177.9116 87 D 4.5429 9.1297 118.7735 57.5873 40.1537 178.4177 88 A 4.0140 7.9146 120.0114 55.7171 18.3945 179.0208 89 D 4.3180 8.1391 115.9954 57.0523 41.0349 178.0690 90 F 3.9971 8.0941 120.8076 60.4881 39.3838 176.1100 91 M 4.1067 7.3024 116.1515 55.0667 33.5422 177.4127 92 K 4.2869 7.1595 118.8901 56.2011 29.5855 175.1944 93 I 4.5538 6.8532 113.5087 57.7266 41.4603 176.1829 94 D 4.4849 8.0615 120.2752 52.8550 41.3337 176.8388 95 Q 3.4148 8.3887 118.9548 59.1452 28.6200 178.9626 96 A 3.7845 7.7205 120.6980 55.9130 18.1616 179.7601 97 T 3.7602 7.4643 112.6507 66.3693 68.4905 176.5795 98 L 3.8159 7.6950 122.5270 58.3504 42.0134 179.1673 99 F 4.5140 7.8582 117.4864 60.8834 38.7943 177.5757 100 E 4.0780 8.1277 117.4946 59.0215 29.0945 179.5606 101 L 4.0439 7.6577 119.2749 57.5656 41.7740 179.0907 102 I 3.6743 7.5854 119.2704 64.6304 37.2651 178.1947 103 L 3.9613 8.1022 119.3522 58.0217 41.3461 179.7989 104 A 4.0797 7.8333 120.1621 55.2360 18.4125 179.5514 105 A 3.9462 8.4508 119.7824 55.3436 18.1733 179.3256 106 N 4.3870 8.2506 114.8186 56.4645 39.0574 176.4492 107 Y 4.3834 7.6762 120.1981 62.4067 39.5004 175.9665 108 L 4.1536 8.1755 120.9907 54.5491 43.5324 176.2887 109 N 4.9743 8.2682 112.3487 53.3142 39.0186 177.0708 110 I 4.2466 7.7569 121.2085 59.5229 36.7568 177.1284 111 K 4.0045 8.4885 127.9099 59.0985 32.4281 178.9153 112 N 4.5841 8.1629 114.9344 55.4525 37.3381 174.7495 113 L 4.1086 7.6130 120.1167 54.8631 42.3227 176.6155 114 L 4.6805 7.7467 116.8548 54.6670 46.3854 177.3463 115 D 4.5386 7.5349 117.3172 56.2516 40.9822 177.5127 116 L 4.5086 7.7304 120.2462 56.9201 42.9586 178.0547 117 T 3.8242 7.6738 109.0650 65.1002 68.9202 175.8760 118 C 4.1340 7.9663 120.4661 62.4445 28.2628 176.1081 119 Q 4.2455 8.1756 120.1201 59.3661 28.2733 178.5158 120 T 3.9262 7.5799 116.3042 66.3785 68.8291 176.6485 121 V 3.8686 8.0123 119.9314 66.1483 31.6350 177.8205 122 A 4.0726 8.6291 120.7739 55.5173 17.9090 179.3345 123 D 4.3817 7.9346 116.3507 57.4806 40.9045 178.5148 124 M 4.2511 7.9618 118.8946 58.0209 32.1856 178.6104 125 I 4.2587 7.6770 119.6410 63.3220 37.5479 174.9197 126 K 4.0813 7.7494 123.1040 60.7843 31.5863 175.8482 127 G 4.0227 8.8197 112.9507 45.7030 0.0000 173.2677 128 K 4.4498 8.4443 119.3724 56.1425 33.1211 176.9112 129 T 4.5391 7.9772 111.0220 59.8924 72.1445 173.7774 130 P 4.3174 0.0000 0.0000 65.9014 31.1856 178.5612 131 E 3.9135 8.1112 117.3253 59.5221 29.9027 178.2686 132 E 3.9418 7.9464 118.7106 60.2493 29.2604 179.1599 133 I 3.9630 8.2039 119.9105 64.1732 37.4922 178.1482 134 R 4.2326 8.3655 116.4559 58.9093 29.4530 178.7139 135 T 3.9761 8.2698 118.2158 66.8065 68.2216 176.2699 136 T 4.1524 7.6936 109.3748 61.8768 69.4328 175.3568 137 F 4.7106 8.2103 116.1912 57.4878 43.9149 173.9172 138 N 4.1843 8.1279 117.4674 54.2377 36.3850 171.7880 139 I 4.5250 8.4627 118.8876 58.4957 40.2856 175.9033 140 K 4.0083 8.5765 125.3383 56.2391 33.0670 176.1722 141 N 4.3575 8.7561 122.7613 53.7162 38.2807 173.4289 142 D 4.8019 8.1184 125.5167 52.9622 39.9600 176.1681 143 F 4.8330 8.5943 120.2732 57.5354 39.5290 176.5613 144 T 4.0759 8.5929 116.7575 61.4410 70.4602 173.6728 145 P 4.2821 0.0000 0.0000 65.5557 31.3778 179.0452 146 E 3.8968 8.0963 117.2230 59.7612 29.4268 178.2903 147 E 3.8397 7.9216 118.3893 59.6728 29.4654 178.7759 148 E 3.1623 8.3345 118.6106 59.4655 29.6178 179.2000 149 E 3.7083 7.9298 118.9361 58.9787 29.7718 178.1038 150 E 3.7648 8.4847 119.6989 59.3498 29.6969 178.9104 151 V 3.4489 7.7872 118.3547 65.9011 31.5536 177.7742 152 R 3.6539 7.8239 118.3697 59.4823 29.8064 178.2678 153 R 2.9062 8.0578 117.9042 59.1523 30.0342 178.5012 154 E 3.7285 8.3977 118.1539 59.8579 29.3594 179.4464 155 N 4.3751 8.3884 114.8400 55.6871 38.6637 176.4467 156 Q 4.5243 7.7447 116.4222 55.6206 30.2004 176.7730 157 W 4.8616 8.2961 118.9883 56.9379 30.5796 175.7509 158 A 4.2713 7.7532 117.6814 53.0380 20.2216 176.5623 159 F 4.8959 7.6574 119.9246 59.8502 39.0832 175.9551 160 E 4.5651 9.1550 125.5684 56.2110 29.9784 175.7202 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 5 K 8.31 4.56 0.00 1.67 1.83 0.00 1.69 0.00 0.00 1.79 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.49 7.81 6 I 9.21 4.49 1.89 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 1.12 1.15 0.92 0.00 0.00 7 V 9.09 4.88 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 1.05 0.00 0.00 0.96 0.00 0.00 8 L 8.66 5.06 0.00 1.72 1.57 0.92 0.37 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 9 K 8.75 4.64 0.00 1.78 1.81 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.43 7.81 10 S 8.45 4.58 0.00 4.01 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 11 S 8.57 4.61 0.00 3.99 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 12 D 7.98 4.56 0.00 2.84 2.68 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 13 G 8.41 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 14 E 8.05 4.88 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 15 S 8.47 4.36 0.00 3.72 3.84 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 16 F 8.86 4.57 0.00 3.16 2.96 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 17 E 8.94 4.40 0.00 1.97 1.90 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 2.30 2.42 0.00 18 V 8.69 4.70 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 0.87 0.00 0.00 1.03 0.00 0.00 19 E 8.68 4.37 0.00 2.07 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 2.39 2.36 0.00 20 E 8.47 3.81 0.00 2.06 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 2.38 2.45 0.00 21 A 7.71 4.16 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 22 V 7.68 3.65 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 1.05 0.00 0.00 0.90 0.00 0.00 23 A 7.87 4.11 1.32 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 24 L 7.26 4.36 0.00 1.66 1.70 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 25 E 7.77 3.95 0.00 2.03 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 0.00 2.33 2.38 0.00 26 S 7.73 4.36 0.00 3.89 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 27 Q 8.64 4.24 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.32 6.62 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 28 T 7.62 4.07 4.10 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 1.02 0.00 0.00 29 I 7.48 3.93 2.02 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 1.28 0.42 0.89 0.00 0.00 30 A 8.33 4.05 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 31 H 7.89 4.34 0.00 3.20 3.33 0.00 5.60 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 M 7.90 4.84 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 33 V 7.90 4.30 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 0.82 0.00 0.00 1.03 0.00 0.00 34 E 7.37 4.27 0.00 1.96 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 2.26 2.23 0.00 35 D 7.78 4.64 0.00 2.90 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 7.87 4.95 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 37 C 8.68 4.52 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 38 V 7.44 3.76 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 1.05 0.00 0.00 0.96 0.00 0.00 39 D 8.30 4.39 0.00 2.69 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 40 N 7.87 4.79 0.00 2.66 2.82 0.00 0.00 7.11 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 41 G 8.14 4.06 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 0.00 0.00 0.00 42 V 8.19 3.86 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 0.84 0.00 0.00 0.92 0.00 0.00 43 P 0.00 4.97 0.00 2.11 2.14 0.00 3.46 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.09 0.00 44 L 8.86 4.83 0.00 2.03 1.85 0.99 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.74 0.00 2.20 2.20 0.00 3.59 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.15 0.00 46 N 7.83 4.65 0.00 1.44 2.08 0.00 0.00 6.59 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 47 V 7.38 4.25 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 1.05 0.00 0.00 1.19 0.00 0.00 48 T 8.44 4.21 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 1.27 0.00 0.00 49 S 8.80 4.12 0.00 4.34 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 50 K 8.23 3.91 0.00 1.90 1.84 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.58 7.81 51 I 7.53 3.76 2.03 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 1.52 0.72 0.93 0.00 0.00 52 L 7.99 3.80 0.00 1.62 1.57 0.75 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.86 3.99 1.59 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 0.00 0.00 54 K 7.84 4.16 0.00 2.09 2.08 0.00 1.61 0.00 0.00 1.43 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.61 1.52 7.81 55 V 7.99 3.76 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 1.09 0.00 0.00 1.01 0.00 0.00 56 I 8.00 3.75 2.03 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.56 0.96 0.00 0.00 57 E 8.39 4.04 0.00 2.25 2.41 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 2.80 2.61 0.00 58 Y 7.84 3.90 0.00 2.62 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 59 C 8.16 4.00 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 60 K 8.49 3.69 0.00 1.94 1.89 0.00 1.56 0.00 0.00 1.54 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.42 7.81 61 R 7.28 3.47 0.00 0.79 1.19 0.00 2.72 0.00 0.00 2.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.03 0.00 62 H 7.57 3.99 0.00 2.84 3.14 0.00 5.91 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.76 3.69 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 0.89 0.00 0.00 64 E 7.70 4.34 0.00 1.94 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 65 A 7.87 4.66 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 66 A 7.97 4.10 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 67 A 7.28 4.42 1.06 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 0.00 0.00 *80 D 8.73 4.65 0.00 2.75 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 81 D 8.13 4.32 0.00 2.76 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 82 D 7.98 4.71 0.00 2.75 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 83 L 7.72 4.06 0.00 1.79 1.71 0.72 0.63 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 84 K 8.25 4.19 0.00 1.85 1.94 0.00 1.70 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.58 7.81 85 A 7.60 4.05 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 86 W 8.44 4.20 0.00 3.53 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 87 D 9.13 4.54 0.00 3.07 2.90 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 88 A 7.91 4.01 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 89 D 8.14 4.32 0.00 2.86 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 90 F 8.09 4.00 0.00 2.03 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 91 M 7.30 4.11 0.00 1.91 2.17 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.78 0.00 92 K 7.16 4.29 0.00 1.68 1.70 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.45 7.81 93 I 6.85 4.55 1.68 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.47 0.62 0.00 0.00 94 D 8.06 4.48 0.00 2.77 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 95 Q 8.39 3.41 0.00 1.83 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 96 A 7.72 3.78 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 T 7.46 3.76 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 1.08 0.00 0.00 98 L 7.70 3.82 0.00 1.62 1.50 0.89 1.25 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 99 F 7.86 4.51 0.00 3.06 2.94 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 0.00 100 E 8.13 4.08 0.00 2.11 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 2.49 2.51 0.00 101 L 7.66 4.04 0.00 1.89 1.70 0.80 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 102 I 7.59 3.67 2.08 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.84 0.92 0.00 0.00 103 L 8.10 3.96 0.00 1.86 1.74 0.98 0.93 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 0.00 104 A 7.83 4.08 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 A 8.45 3.95 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 0.00 106 N 8.25 4.39 0.00 2.84 2.90 0.00 0.00 7.18 7.08 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 0.00 107 Y 7.68 4.38 0.00 3.01 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 0.00 108 L 8.18 4.15 0.00 1.64 1.53 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 109 N 8.27 4.97 0.00 2.59 2.73 0.00 0.00 6.77 7.94 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 0.00 110 I 7.76 4.25 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.75 1.03 0.00 0.00 111 K 8.49 4.00 0.00 1.80 1.83 0.00 1.74 0.00 0.00 1.89 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.45 7.81 112 N 8.16 4.58 0.00 3.00 3.02 0.00 0.00 5.96 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 0.00 113 L 7.61 4.11 0.00 1.55 1.79 -0.05 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 114 L 7.75 4.68 0.00 1.70 1.55 0.93 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 115 D 7.53 4.54 0.00 2.88 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 0.00 116 L 7.73 4.51 0.00 1.84 1.68 1.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 117 T 7.67 3.82 4.27 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 1.18 0.00 0.00 118 C 7.97 4.13 0.00 3.17 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 0.00 119 Q 8.18 4.25 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.93 0.00 0.00 0.00 0.00 0.00 2.46 2.55 0.00 120 T 7.58 3.93 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 1.22 0.00 0.00 121 V 8.01 3.87 2.32 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 1.18 0.00 0.00 1.21 0.00 0.00 122 A 8.63 4.07 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 0.00 123 D 7.93 4.38 0.00 2.88 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 0.00 124 M 7.96 4.25 0.00 2.01 2.48 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.55 0.00 125 I 7.68 4.26 2.02 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 1.92 0.95 0.96 0.00 0.00 126 K 7.75 4.08 0.00 1.77 1.86 0.00 1.87 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.56 7.81 127 G 8.82 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 0.00 0.00 0.00 128 K 8.44 4.45 0.00 1.82 1.79 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.28 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.69 7.81 129 T 7.98 4.54 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 1.28 0.00 0.00 130 P 0.00 4.32 0.00 2.21 2.21 0.00 3.61 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 131 E 8.11 3.91 0.00 2.10 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 2.39 2.48 0.00 132 E 7.95 3.94 0.00 2.24 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 2.35 2.40 0.00 133 I 8.20 3.96 2.12 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.80 1.06 0.00 0.00 134 R 8.37 4.23 0.00 2.35 2.23 0.00 2.95 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.87 0.00 135 T 8.27 3.98 4.42 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 1.20 0.00 0.00 136 T 7.69 4.15 4.05 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 1.20 0.00 0.00 137 F 8.21 4.71 0.00 3.20 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 0.00 138 N 8.13 4.18 0.00 2.81 2.84 0.00 0.00 6.83 7.94 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 0.00 139 I 8.46 4.52 1.89 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.88 0.86 0.00 0.00 140 K 8.58 4.01 0.00 1.84 1.81 0.00 1.54 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.38 7.81 141 N 8.76 4.36 0.00 2.74 2.83 0.00 0.00 7.10 8.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 D 8.12 4.80 0.00 2.72 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 0.00 143 F 8.59 4.83 0.00 3.25 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 0.00 144 T 8.59 4.08 4.27 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 1.36 0.00 0.00 145 P 0.00 4.28 0.00 2.17 2.14 0.00 3.61 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 2.12 2.19 0.00 146 E 8.10 3.90 0.00 2.05 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 0.00 2.40 2.45 0.00 147 E 7.92 3.84 0.00 2.23 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 2.39 2.39 0.00 148 E 8.33 3.16 0.00 1.87 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.06 0.00 149 E 7.93 3.71 0.00 2.19 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 2.13 2.20 0.00 150 E 8.48 3.76 0.00 2.11 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 2.27 2.30 0.00 151 V 7.79 3.45 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.78 0.00 0.00 152 R 7.82 3.65 0.00 1.83 1.84 0.00 3.02 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.52 0.00 153 R 8.06 2.91 0.00 1.84 1.66 0.00 2.70 0.00 0.00 3.00 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.50 0.00 154 E 8.40 3.73 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.47 0.00 155 N 8.39 4.38 0.00 2.79 2.85 0.00 0.00 7.00 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 0.00 156 Q 7.74 4.52 0.00 1.86 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.77 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 157 W 8.30 4.86 0.00 3.37 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 0.00 158 A 7.75 4.27 0.48 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 0.00 159 F 7.66 4.90 0.00 3.09 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 0.00 160 E 9.15 4.57 0.00 2.07 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 2.14 2.21 0.00 * Residues marked with a * may have inaccurate shift predictions.