NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.2485 8.3144 121.7920 56.3937 33.6646 177.7564 4 C 4.7191 7.4539 118.2641 54.1355 41.4247 171.1071 5 S 4.4901 8.6962 118.6639 57.4301 64.0361 173.4183 6 L 4.3646 7.8081 124.3959 55.2311 42.0516 177.4967 7 T 3.9798 7.6645 114.7830 65.3112 69.0479 172.6373 8 G 3.6314 8.6661 110.3122 43.9843 0.0000 171.8383 9 K 5.1976 8.1385 116.7945 54.6105 34.7169 175.8943 10 W 6.1567 9.2852 122.7879 54.4121 33.8057 174.0493 11 T 5.3837 8.7398 115.6348 60.6373 71.2620 171.5997 12 N 5.7429 9.0490 121.0036 50.0259 40.7987 175.3517 13 D 3.9218 8.4664 118.4532 56.1680 39.4720 177.9471 14 L 4.2696 8.0004 117.1996 54.5714 42.3703 177.3512 15 G 3.9393 9.0553 108.2114 44.9599 0.0000 173.8083 16 S 4.6850 7.9629 115.9953 58.3980 64.7000 172.6518 17 N 5.5485 8.7028 118.2179 52.6697 41.1731 172.8657 18 M 5.0616 9.2419 115.5424 54.4932 35.2067 173.5873 19 T 5.1033 8.9410 117.3665 61.9280 71.8994 172.9997 20 I 4.6602 8.7988 127.5016 59.3074 39.7934 176.2346 21 G 4.2162 9.1655 118.1921 46.0657 0.0000 173.0322 22 A 4.2079 8.6176 127.2990 51.8273 18.7786 178.4292 23 V 4.2330 8.2009 124.2056 60.4560 30.5523 175.6320 24 N 4.6477 8.6999 126.4256 52.3355 38.2978 176.5307 25 S 4.0661 8.7717 112.5339 62.0684 62.4333 175.8868 26 R 4.1813 7.9983 117.0983 55.6138 29.9059 177.1127 27 G 3.9780 8.9639 106.3170 46.8910 0.0000 173.3334 28 E 5.3803 8.4542 118.9194 54.6228 31.9233 175.1031 29 F 5.2390 7.4853 114.6174 56.2681 41.5172 172.9288 30 T 5.5016 8.1010 115.3093 60.7594 73.1872 173.1946 31 G 3.9528 7.4972 108.2206 47.2481 0.0000 171.4893 32 T 5.1979 8.3186 115.9914 61.7579 72.0325 173.1529 33 Y 4.8119 9.3074 125.4347 55.8422 42.0828 174.1974 34 I 4.8328 8.2405 127.2810 59.8419 39.7208 174.8828 35 T 4.8337 9.1062 121.9834 61.5109 68.2915 174.1815 36 A 4.6213 9.9071 129.5901 51.8037 19.5453 177.2224 37 V 4.3696 7.7414 114.8001 60.6717 34.2915 173.5409 38 A 4.4957 7.8383 122.5886 50.3134 22.2538 176.6895 39 D 4.6011 8.5704 119.4019 57.8671 40.9923 178.0525 40 N 4.7741 7.1265 113.7232 51.2835 38.6020 170.3738 41 P 5.4061 0.0000 0.0000 60.8411 32.8582 175.2682 42 G 3.8662 8.5462 111.9815 45.4685 0.0000 172.5015 43 N 4.6201 7.7056 116.6834 52.4566 38.1620 174.7501 44 I 3.7240 7.4932 120.5682 62.5100 37.7682 175.0556 45 T 4.8206 8.5465 118.1992 60.7765 70.3934 174.6436 46 L 4.7654 8.2234 117.8149 53.2215 41.8040 175.9827 47 S 4.5316 8.9963 119.7423 57.8652 64.3154 171.8854 48 P 5.1823 0.0000 0.0000 62.2064 33.6509 174.5392 49 L 5.8159 8.2947 119.2567 53.8163 44.2669 174.9637 50 L 5.0906 8.2574 118.9321 53.5656 46.4715 175.3747 51 G 3.9359 7.5698 107.1519 45.7340 0.0000 171.9320 52 I 5.1364 8.1410 119.6846 59.3781 41.3511 175.0168 53 Q 5.1147 9.1641 123.9455 54.1834 32.5238 174.6525 54 H 4.1585 8.5919 121.0389 56.0768 29.3084 176.6513 *57 K 4.4839 8.6700 121.5307 56.0476 33.9325 176.5188 58 R 4.3488 7.8564 116.3533 57.0555 31.5549 176.9317 59 A 4.2028 7.7916 119.5950 51.8847 18.8079 177.5094 60 S 4.2914 8.7556 115.6336 60.8694 63.7499 173.8393 61 Q 5.1008 7.7664 119.5010 52.3314 27.4271 173.7702 62 P 4.5366 0.0000 0.0000 62.8425 33.5637 176.1595 63 T 5.0757 8.4072 115.1778 61.1056 69.7936 173.0824 64 F 5.1413 8.2660 120.6944 56.0029 42.0675 173.0463 65 G 4.6420 9.1690 105.7877 44.9744 0.0000 171.5584 66 F 5.6375 9.0203 116.0135 55.5760 42.3624 173.1691 67 T 4.9605 9.6724 117.2573 61.8463 71.3339 173.5779 68 V 4.2607 8.8053 127.1866 61.2146 33.1808 174.4228 69 N 4.3759 8.5983 128.8431 51.7784 38.2397 173.7892 70 W 4.4592 7.5452 124.6270 57.2530 29.0421 176.7044 71 K 4.2005 9.3358 125.5916 58.9475 31.8808 178.4330 72 F 4.5816 7.9580 112.1223 58.3568 38.5601 174.6398 73 S 4.4394 6.9504 113.8296 57.9038 64.9607 173.3647 74 E 4.5366 8.7263 120.7999 56.9810 29.6055 176.2872 75 S 4.9796 8.0338 116.9333 57.6185 65.6054 173.2717 76 T 5.0148 8.6145 117.5279 62.2031 72.7879 173.2362 77 T 5.1056 8.0921 118.9983 61.9738 72.8657 173.2980 78 V 4.7870 8.3715 118.7861 59.5508 34.6677 174.6921 79 F 5.2180 8.5926 122.9177 55.9313 42.0224 174.4922 80 T 4.6810 8.4125 119.5467 62.1378 72.4664 174.1785 81 G 3.7434 6.5615 107.9337 46.3646 0.0000 171.8263 82 Q 5.2147 8.2715 120.1348 54.4295 33.1695 174.5429 83 C 5.3000 8.9092 124.5964 55.5411 46.0936 172.4441 84 F 5.3078 9.6398 125.3472 55.8652 41.9652 174.5815 85 I 5.1562 8.5253 121.9979 59.4233 38.9530 175.7324 86 D 4.6063 9.3011 127.3476 54.6266 41.5669 176.4518 87 R 4.0286 8.2486 118.1209 56.0040 29.7786 177.8922 *89 G 3.8673 8.0667 105.4405 45.1745 0.0000 172.3606 90 K 4.5470 8.3619 124.7332 55.7145 35.6246 175.1580 91 E 5.9800 8.9403 120.9252 54.2917 31.7147 175.3018 92 V 5.1237 8.7390 123.4990 59.9594 35.2452 174.6327 93 L 5.6517 8.9051 122.3453 52.4373 44.1670 176.0878 94 K 4.9740 9.0903 125.4716 55.7509 33.0302 176.1702 95 T 5.2293 9.2005 115.4495 60.2794 72.5689 172.8603 96 M 5.4355 9.3291 122.1185 53.4066 36.3325 174.5966 97 W 5.9336 8.3910 116.3081 53.9466 32.2509 173.7408 98 L 5.2088 8.5005 121.4766 53.1473 43.8545 174.7944 99 L 5.0213 9.8378 127.1863 53.4880 44.2330 174.7334 100 R 4.9637 9.1451 127.9676 55.0715 31.7657 175.9604 101 S 4.8631 9.1383 123.0375 56.9408 65.1438 174.1138 102 S 4.5837 8.3442 115.8649 56.6057 62.6632 173.6749 103 V 3.8786 8.1183 119.6909 61.0564 32.0905 176.6910 104 N 4.6279 8.5852 119.5707 54.3031 39.2623 174.8440 105 D 4.7803 7.5803 117.7034 52.1376 44.2869 175.6397 106 I 3.8455 8.5246 125.5394 63.0296 38.2048 176.5355 107 G 3.8970 8.2577 107.1040 47.0517 0.0000 173.7404 108 D 4.9981 8.2492 119.5055 54.0686 41.7022 177.7699 109 D 4.3085 8.1099 120.2290 56.5506 41.4436 177.9067 110 W 4.3979 8.5223 115.6754 58.5396 27.8499 176.6555 111 K 3.6849 7.1650 115.5195 56.0459 32.0514 176.5103 112 A 4.0696 7.5845 121.6057 53.6808 18.5567 177.5110 113 T 4.9917 7.3541 111.7390 61.8897 71.4266 173.7307 114 R 4.7070 8.8202 126.4218 54.9767 32.2994 176.2515 115 V 4.4607 7.9700 120.2198 60.4644 34.7421 175.2175 116 G 3.1930 5.8465 107.0288 45.6166 0.0000 171.2569 117 Y 5.4161 7.7822 116.3262 55.8478 41.5075 174.3550 118 N 5.2928 9.7550 117.0181 52.2509 44.1264 173.3966 119 I 5.1473 8.4361 122.7428 59.6995 40.0218 174.4972 120 F 5.5534 9.4753 125.8747 56.0882 41.8521 174.6320 121 T 5.3101 8.9764 119.7513 61.4663 71.8698 174.1898 122 R 4.1619 8.1703 122.5486 56.0321 31.1889 176.5184 123 L 4.0875 7.6000 121.3309 55.6043 41.7967 175.2922 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 K 8.31 4.25 0.00 1.72 1.88 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.51 7.81 4 C 7.45 4.72 0.00 3.25 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 5 S 8.70 4.49 0.00 3.88 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.81 4.36 0.00 1.06 0.99 0.49 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.66 3.98 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 1.25 0.00 0.00 8 G 8.67 3.63 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 0.00 0.00 0.00 9 K 8.14 5.20 0.00 1.57 1.61 0.00 1.55 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.39 7.81 10 W 9.29 6.16 0.00 3.20 3.30 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 11 T 8.74 5.38 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 1.31 0.00 0.00 12 N 9.05 5.74 0.00 2.43 1.68 0.00 0.00 6.62 7.53 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 13 D 8.47 3.92 0.00 2.81 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 14 L 8.00 4.27 0.00 1.77 1.77 0.91 1.02 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 15 G 9.06 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 0.00 0.00 0.00 16 S 7.96 4.68 0.00 4.11 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.70 5.55 0.00 2.95 2.86 0.00 0.00 6.87 6.98 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 18 M 9.24 5.06 0.00 1.61 2.02 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 19 T 8.94 5.10 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 1.18 0.00 0.00 20 I 8.80 4.66 1.88 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.52 0.47 0.00 0.00 21 G 9.17 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 0.00 0.00 0.00 0.00 22 A 8.62 4.21 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 23 V 8.20 4.23 2.16 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 0.76 0.00 0.00 1.04 0.00 0.00 24 N 8.70 4.65 0.00 2.95 3.05 0.00 0.00 6.56 7.22 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 25 S 8.77 4.07 0.00 4.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.00 4.18 0.00 1.82 1.98 0.00 3.22 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 27 G 8.96 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 28 E 8.45 5.38 0.00 1.91 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 0.00 2.17 2.02 0.00 29 F 7.49 5.24 0.00 3.03 3.07 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 0.00 0.00 0.00 30 T 8.10 5.50 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 1.23 0.00 0.00 31 G 7.50 3.95 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 0.00 0.00 0.00 32 T 8.32 5.20 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 1.34 0.00 0.00 33 Y 9.31 4.81 0.00 2.84 2.72 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 0.00 0.00 0.00 0.00 34 I 8.24 4.83 1.85 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 1.17 0.96 0.95 0.00 0.00 35 T 9.11 4.83 4.74 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 1.23 0.00 0.00 36 A 9.91 4.62 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 37 V 7.74 4.37 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 0.63 0.00 0.00 0.86 0.00 0.00 38 A 7.84 4.50 0.67 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 39 D 8.57 4.60 0.00 2.66 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 N 7.13 4.77 0.00 2.85 2.75 0.00 0.00 6.78 7.63 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 41 P 0.00 5.41 0.00 1.68 1.41 0.00 3.22 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 42 G 8.55 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 N 7.71 4.62 0.00 3.02 3.08 0.00 0.00 6.22 7.59 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 44 I 7.49 3.72 1.69 0.00 0.00 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 0.23 -0.04 0.89 0.00 0.00 45 T 8.55 4.82 4.40 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 1.36 0.00 0.00 46 L 8.22 4.77 0.00 1.59 1.71 0.95 0.87 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 47 S 9.00 4.53 0.00 4.27 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 5.18 0.00 2.08 2.16 0.00 3.95 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.95 0.00 49 L 8.29 5.82 0.00 1.83 1.63 0.58 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.26 5.09 0.00 1.50 1.42 0.86 0.91 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 51 G 7.57 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 0.00 0.00 0.00 52 I 8.14 5.14 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.83 0.89 0.00 0.00 53 Q 9.16 5.11 0.00 2.33 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.99 0.00 0.00 0.00 0.00 0.00 2.44 2.63 0.00 54 H 8.59 4.16 0.00 3.11 3.26 0.00 5.65 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *57 K 8.67 4.48 0.00 1.80 1.93 0.00 1.82 0.00 0.00 0.61 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.41 7.81 58 R 7.86 4.35 0.00 1.80 1.98 0.00 3.23 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 59 A 7.79 4.20 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 60 S 8.76 4.29 0.00 4.03 4.14 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 61 Q 7.77 5.10 0.00 1.72 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 7.08 0.00 0.00 0.00 0.00 0.00 2.23 2.13 0.00 62 P 0.00 4.54 0.00 2.24 2.29 0.00 3.67 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 63 T 8.41 5.08 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 1.28 0.00 0.00 64 F 8.27 5.14 0.00 3.51 3.20 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 65 G 9.17 4.64 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 66 F 9.02 5.64 0.00 3.20 3.34 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 0.00 67 T 9.67 4.96 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 1.15 0.00 0.00 68 V 8.81 4.26 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 0.96 0.00 0.00 69 N 8.60 4.38 0.00 2.67 2.65 0.00 0.00 7.26 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 70 W 7.55 4.46 0.00 3.06 2.20 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 71 K 9.34 4.20 0.00 1.88 2.00 0.00 1.62 0.00 0.00 1.87 0.00 0.00 3.15 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.47 7.81 72 F 7.96 4.58 0.00 3.14 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 73 S 6.95 4.44 0.00 3.89 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 74 E 8.73 4.54 0.00 1.85 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 2.23 2.31 0.00 75 S 8.03 4.98 0.00 3.83 4.01 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 76 T 8.61 5.01 4.21 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 1.12 0.00 0.00 77 T 8.09 5.11 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 78 V 8.37 4.79 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 0.72 0.00 0.00 0.88 0.00 0.00 79 F 8.59 5.22 0.00 1.51 2.58 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 0.00 80 T 8.41 4.68 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 1.07 0.00 0.00 81 G 6.56 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 8.27 5.21 0.00 2.05 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.77 0.00 0.00 0.00 0.00 0.00 1.50 2.21 0.00 83 C 8.91 5.30 0.00 3.04 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 84 F 9.64 5.31 0.00 3.00 2.98 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 85 I 8.53 5.16 1.95 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 1.29 0.58 1.03 0.00 0.00 86 D 9.30 4.61 0.00 3.02 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 87 R 8.25 4.03 0.00 1.89 1.93 0.00 3.17 0.00 0.00 3.36 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.65 0.00 *89 G 8.07 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.36 4.55 0.00 1.87 1.96 0.00 1.55 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.61 7.81 91 E 8.94 5.98 0.00 2.12 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 0.00 2.46 2.23 0.00 92 V 8.74 5.12 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 1.10 0.00 0.00 1.13 0.00 0.00 93 L 8.91 5.65 0.00 1.83 1.84 -0.41 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 94 K 9.09 4.97 0.00 1.98 1.92 0.00 1.75 0.00 0.00 1.94 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.64 1.35 7.81 95 T 9.20 5.23 4.69 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 1.63 0.00 0.00 96 M 9.33 5.44 0.00 1.80 1.93 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 97 W 8.39 5.93 0.00 2.59 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 0.00 0.00 0.00 98 L 8.50 5.21 0.00 1.62 1.64 0.90 0.41 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 99 L 9.84 5.02 0.00 1.61 1.78 1.11 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 100 R 9.15 4.96 0.00 1.94 1.92 0.00 3.34 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 101 S 9.14 4.86 0.00 3.80 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.34 4.58 0.00 3.84 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 V 8.12 3.88 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 0.74 0.00 0.00 0.95 0.00 0.00 104 N 8.59 4.63 0.00 2.72 2.87 0.00 0.00 6.65 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 0.00 105 D 7.58 4.78 0.00 2.70 2.69 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 0.00 106 I 8.52 3.85 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.95 0.93 0.00 0.00 107 G 8.26 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 0.00 108 D 8.25 5.00 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 0.00 109 D 8.11 4.31 0.00 2.87 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 0.00 110 W 8.52 4.40 0.00 3.61 3.23 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 0.00 111 K 7.16 3.68 0.00 0.91 0.74 0.00 1.13 0.00 0.00 1.41 0.00 0.00 2.90 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.52 0.82 7.81 112 A 7.58 4.07 1.33 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 0.00 0.00 113 T 7.35 4.99 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 1.22 0.00 0.00 114 R 8.82 4.71 0.00 2.06 2.01 0.00 3.12 0.00 0.00 3.36 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 115 V 7.97 4.46 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 0.56 0.00 0.00 0.72 0.00 0.00 116 G 5.85 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 0.00 0.00 0.00 117 Y 7.78 5.42 0.00 2.95 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 0.00 118 N 9.75 5.29 0.00 3.35 2.60 0.00 0.00 7.09 8.32 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 0.00 119 I 8.44 5.15 1.96 0.00 0.00 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 1.36 1.10 1.04 0.00 0.00 120 F 9.48 5.55 0.00 3.00 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 0.00 121 T 8.98 5.31 4.35 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 1.23 0.00 0.00 122 R 8.17 4.16 0.00 1.39 1.50 0.00 3.03 0.00 0.00 3.16 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.91 0.00 123 L 7.60 4.09 0.00 1.47 1.35 0.89 0.83 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 * Residues marked with a * may have inaccurate shift predictions.