NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.3213 8.1849 120.6292 54.8227 42.9452 176.2778 3 E 4.1378 8.5429 117.9078 55.1896 30.0005 175.1526 4 S 4.6422 7.6090 114.6986 56.4779 65.7959 173.8368 5 P 4.5888 0.0000 0.0000 61.9806 28.4706 176.5272 6 L 4.1390 7.9209 127.0089 58.3758 42.5311 178.2099 7 G 3.5664 7.9589 105.8305 47.7667 0.0000 175.9376 8 S 4.2279 8.0311 116.8007 60.9352 62.8928 176.1871 9 D 4.3653 7.9335 122.2621 57.2390 40.5768 178.5787 10 L 4.0380 8.0768 119.3155 57.5754 41.5032 179.5461 11 A 3.9480 7.9591 120.7686 55.1248 18.3211 179.4567 12 R 3.8300 7.8449 117.0647 59.5443 30.1304 178.1758 13 L 4.0186 7.9055 119.9508 58.4450 42.0648 179.1088 14 V 3.6604 8.0324 118.0248 66.1447 31.3920 178.2491 15 R 3.9961 8.2463 118.1846 59.2448 30.0105 179.0874 16 I 3.9139 8.2135 113.1733 63.5017 37.6327 178.1457 17 W 4.1954 8.4943 130.4603 60.4041 30.5540 178.0131 18 R 4.2730 8.5993 118.6877 59.3215 29.4897 178.3348 19 A 4.2429 8.2530 120.8118 55.0367 18.4633 179.2127 20 L 3.9122 7.9770 118.7301 58.5872 42.1352 179.3712 21 I 3.6225 7.9548 119.6204 64.2490 36.7285 177.9747 22 D 4.5962 8.6192 119.2306 57.9862 40.5531 178.1853 23 H 4.2560 8.7294 118.8465 59.3536 29.6325 177.2984 24 R 4.0778 7.7592 118.3863 58.0170 30.4671 177.7817 25 L 4.3143 7.7704 117.5043 54.4606 41.0741 178.3701 26 K 3.8927 7.5879 119.8392 59.3827 31.8618 176.9787 27 P 4.7919 0.0000 0.0000 65.8088 31.2645 177.5676 28 L 4.2782 7.6822 114.2810 53.7524 41.9682 176.3947 29 E 3.8582 9.2883 116.4765 57.1101 29.0832 174.7165 30 L 4.6821 7.7504 116.8251 54.7414 43.7535 177.7226 31 T 4.2816 8.1516 112.6335 61.0550 71.1786 175.3634 32 Q 3.4222 8.6880 122.9420 60.0633 28.9155 179.5037 33 T 3.7286 7.6217 115.7235 66.5271 68.4351 176.5613 34 H 4.2211 7.8548 118.6402 58.6398 28.8271 177.9092 35 W 4.3062 8.4789 119.0682 59.5678 28.1753 178.4948 36 V 3.4303 6.9378 119.1160 65.8350 30.7529 178.2601 37 T 3.8388 7.8397 115.3545 66.6279 68.3406 176.6881 38 L 4.0073 8.2262 121.2007 58.2206 41.6730 179.0168 39 H 4.5853 8.9242 119.7031 58.9579 29.5231 177.0276 40 N 4.3685 7.9066 116.9739 55.9468 38.6652 177.3209 41 I 3.8351 7.9914 121.4904 64.7164 37.0491 177.7004 42 H 4.1020 8.3994 117.9653 59.5748 29.7521 176.7149 43 Q 4.1269 8.0196 117.1799 56.4260 28.8313 175.9844 44 L 4.6901 6.9538 120.1363 51.5719 44.0262 174.2249 45 P 4.2510 0.0000 0.0000 62.6377 31.2589 173.3413 46 P 4.4649 0.0000 0.0000 61.4462 33.1250 175.0194 47 D 4.2438 8.6284 111.2438 55.6791 37.5115 173.0185 48 Q 4.5820 7.9851 124.7674 53.2351 32.5709 174.7794 49 S 4.6916 9.6514 120.6937 57.8550 65.4883 175.3087 50 Q 3.9925 8.5984 121.5879 59.4145 28.3797 179.5698 51 I 3.7459 7.6247 120.1621 64.4100 37.2511 178.3372 52 Q 3.9695 8.2062 118.9906 58.8189 28.4712 178.6416 53 L 3.9143 8.1020 121.1621 58.0362 42.1677 178.8096 54 A 3.9541 8.4510 121.1934 55.0240 18.0038 179.4491 55 K 3.8344 8.2509 117.9773 59.6132 32.0152 178.9161 56 A 4.0501 7.8167 120.0638 55.2815 18.3995 179.4599 57 I 3.8611 7.9551 117.8302 62.1805 37.2305 176.9141 58 G 3.7946 7.8617 105.8924 46.0976 0.0000 172.4777 59 I 4.6154 7.5038 112.0092 58.4166 40.9385 173.8770 60 E 4.4161 8.4377 119.1548 55.6306 30.5892 177.3904 61 Q 3.8722 8.7410 123.6541 58.9150 27.7494 178.2775 62 P 4.2677 0.0000 0.0000 65.7896 30.9007 178.8735 63 S 4.2847 8.6234 114.4800 61.3256 62.6738 176.3996 64 L 3.9664 7.6932 122.7178 58.0013 41.9290 178.7422 65 V 3.5985 8.1358 118.7155 66.1738 31.3658 178.0605 66 R 3.9113 7.5149 115.7437 59.3648 29.8520 178.6527 67 T 3.8721 7.3699 106.6262 64.9225 68.8888 176.5523 68 L 3.9303 8.2911 122.6315 57.4721 41.5226 179.4115 69 D 4.3319 8.2907 118.8413 57.4425 40.3815 178.8041 70 Q 4.0148 8.0367 118.5280 58.9954 28.7232 178.8163 71 L 3.9961 8.0939 120.0830 57.5588 41.5558 179.0709 72 E 4.2980 7.9778 120.5741 58.2368 29.4459 178.1419 73 D 4.4622 8.2986 118.6429 56.4263 40.8320 177.9459 74 K 4.5603 7.3576 115.3580 54.7344 32.5675 176.0898 75 G 4.0909 7.9007 106.5962 46.5917 0.0000 175.1406 76 L 4.3260 7.8588 120.7623 56.5202 42.9191 177.1061 77 I 5.1177 7.4853 118.0368 59.9639 42.0638 174.0647 78 S 4.9351 9.2634 120.0729 56.9833 66.9539 173.6594 79 R 5.6397 8.2435 119.9029 53.3565 34.0822 175.0719 *90 R 4.3026 8.1052 117.8563 56.2988 30.5328 174.3262 91 I 4.9576 8.2716 120.6112 59.6602 39.8730 175.0247 92 K 4.8177 8.6640 125.2335 54.2367 35.7698 175.9644 93 L 4.5999 8.7453 125.3401 55.2383 42.6327 177.1381 94 T 4.3203 8.6864 113.2936 60.7879 70.7642 175.5378 95 E 3.9338 9.0347 121.3290 60.0363 29.1805 179.9107 96 K 3.8920 7.4214 115.7557 59.5851 32.2661 178.7340 97 A 4.1961 7.8570 120.1849 54.2168 18.4705 178.9207 98 E 4.0074 7.8845 118.2045 60.0842 29.6053 176.5144 99 P 3.9938 0.0000 0.0000 65.7955 31.1439 179.4015 100 L 3.5426 7.1133 117.7587 57.6783 43.9859 179.0088 101 I 3.6833 8.9391 120.6822 64.2992 37.1115 178.4316 102 A 3.9444 7.9548 121.4250 55.3480 18.3971 179.6239 103 E 3.8944 8.5693 117.5686 59.5148 29.4703 179.3757 104 M 3.9017 8.1642 118.3090 58.7046 32.0832 178.1808 105 E 3.9318 8.4902 119.1894 59.1964 29.5352 178.7792 106 E 3.9629 8.2530 119.4309 59.5084 29.6343 179.0564 107 V 3.5291 7.5884 117.7123 66.0100 31.4522 178.1447 108 I 3.6191 7.8018 119.4533 64.4979 36.9389 177.5193 109 H 4.0321 8.6451 119.4630 59.4053 29.6555 177.0493 110 K 3.9170 8.2865 121.1635 59.7693 32.0464 178.7550 111 T 3.7639 8.0532 116.1498 66.6718 68.4034 176.3052 112 R 4.0168 8.5242 121.0573 59.5050 29.8319 178.5163 113 G 3.6734 7.9618 104.3291 48.0616 0.0000 175.1486 114 E 4.0726 8.0548 120.9418 59.1808 29.2791 179.5533 115 I 3.6365 7.4044 118.5905 63.3449 37.3853 177.3820 116 L 4.4741 7.6360 118.3481 53.0583 41.4788 175.9420 117 A 4.0577 7.2331 123.3456 53.7151 18.4335 178.0633 118 G 3.9713 8.8179 111.4140 46.6819 0.0000 173.0224 119 I 4.5431 7.4581 119.0267 58.8127 39.9445 176.3122 120 S 4.6046 8.3101 119.0209 57.3543 65.7189 175.2864 121 S 4.0921 8.7571 119.4802 62.1143 62.3561 176.7238 122 E 4.0802 8.1139 120.1386 58.5301 29.7146 178.2801 123 E 3.8965 8.2970 120.4622 59.4484 29.7197 178.8463 124 I 3.7511 7.9851 119.8762 64.4544 37.1306 178.1037 125 E 3.9563 8.3391 120.1522 59.1403 29.3997 178.6257 126 L 3.9885 8.0441 120.5397 57.7248 42.0731 178.6259 127 L 3.9277 7.9351 120.4301 58.2504 42.0880 178.6704 128 I 3.6900 7.8067 119.6925 64.7597 37.1583 178.4633 129 K 3.9808 8.0132 118.8222 59.4069 31.7792 179.1876 130 L 4.0647 8.1992 120.7862 57.6563 41.9527 178.9092 131 I 3.6470 8.2381 120.2639 64.3272 37.0437 177.8096 132 A 3.9908 7.8662 121.4597 55.3547 18.1468 179.6727 133 K 3.8895 7.9977 117.7072 59.6543 32.2262 179.0882 134 L 4.0229 8.2025 119.5115 57.6966 41.4640 179.2462 135 E 3.9385 8.6105 119.0245 59.6334 29.3469 178.7158 136 H 4.0231 8.3863 118.2117 59.6496 29.7262 177.0303 137 N 4.3360 8.1413 116.4160 56.1355 38.5315 177.3576 138 I 3.9086 7.4650 121.1135 64.4708 37.0951 178.1884 139 M 3.9715 8.0949 118.4300 58.6512 31.9663 178.3682 140 E 3.9871 8.0501 117.2882 59.2342 29.6365 177.8904 141 L 4.3219 7.6116 122.7297 54.8875 41.9785 176.4095 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 L 8.18 4.32 0.00 1.66 1.70 0.93 0.61 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 3 E 8.54 4.14 0.00 2.03 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 2.31 0.00 4 S 7.61 4.64 0.00 3.98 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 5 P 0.00 4.59 0.00 2.29 2.26 0.00 3.70 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.02 0.00 6 L 7.92 4.14 0.00 1.79 1.71 0.94 1.00 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 7 G 7.96 3.57 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 0.00 0.00 0.00 0.00 8 S 8.03 4.23 0.00 4.07 4.15 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 9 D 7.93 4.37 0.00 2.90 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 10 L 8.08 4.04 0.00 1.91 1.73 0.96 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 11 A 7.96 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 12 R 7.84 3.83 0.00 1.95 2.13 0.00 3.13 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 13 L 7.91 4.02 0.00 1.97 2.00 1.13 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.03 3.66 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 0.93 0.00 0.00 0.88 0.00 0.00 15 R 8.25 4.00 0.00 2.06 2.00 0.00 3.19 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 16 I 8.21 3.91 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.68 0.96 0.00 0.00 17 W 8.49 4.20 0.00 3.64 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 18 R 8.60 4.27 0.00 2.24 2.05 0.00 2.85 0.00 0.00 3.04 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 19 A 8.25 4.24 1.46 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 0.00 0.00 0.00 20 L 7.98 3.91 0.00 1.82 1.92 0.88 0.94 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 21 I 7.95 3.62 1.98 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.69 -0.44 0.00 0.00 22 D 8.62 4.60 0.00 2.94 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 23 H 8.73 4.26 0.00 3.30 3.50 0.00 5.77 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 R 7.76 4.08 0.00 1.77 1.91 0.00 3.17 0.00 0.00 3.19 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.86 0.00 25 L 7.77 4.31 0.00 1.43 1.51 -0.24 0.26 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 26 K 7.59 3.89 0.00 1.93 1.84 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.51 7.81 27 P 0.00 4.79 0.00 1.98 2.13 0.00 3.69 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.18 0.00 28 L 7.68 4.28 0.00 1.76 1.71 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 29 E 9.29 3.86 0.00 2.20 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 2.24 2.29 0.00 30 L 7.75 4.68 0.00 1.79 1.88 1.04 1.08 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 31 T 8.15 4.28 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 32 Q 8.69 3.42 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.95 0.00 0.00 0.00 0.00 0.00 1.99 2.84 0.00 33 T 7.62 3.73 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 1.16 0.00 0.00 34 H 7.85 4.22 0.00 3.33 3.38 0.00 5.63 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 W 8.48 4.31 0.00 3.47 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 36 V 6.94 3.43 1.67 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 0.82 0.00 0.00 -0.26 0.00 0.00 37 T 7.84 3.84 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 1.19 0.00 0.00 38 L 8.23 4.01 0.00 1.94 1.80 1.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 39 H 8.92 4.59 0.00 3.47 3.76 0.00 5.82 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 N 7.91 4.37 0.00 2.89 2.84 0.00 0.00 7.08 6.73 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 41 I 7.99 3.84 2.05 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.88 0.92 0.00 0.00 42 H 8.40 4.10 0.00 3.11 3.56 0.00 5.95 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 43 Q 8.02 4.13 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.47 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 44 L 6.95 4.69 0.00 1.75 1.54 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.25 0.00 2.16 2.10 0.00 3.73 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 2.09 1.97 0.00 46 P 0.00 4.46 0.00 2.19 2.11 0.00 3.89 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.96 0.00 47 D 8.63 4.24 0.00 2.75 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 7.99 4.58 0.00 2.24 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.92 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 49 S 9.65 4.69 0.00 4.04 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 Q 8.60 3.99 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.95 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 51 I 7.62 3.75 1.86 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 1.63 0.67 0.90 0.00 0.00 52 Q 8.21 3.97 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 53 L 8.10 3.91 0.00 1.83 1.78 0.91 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.45 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 55 K 8.25 3.83 0.00 2.07 1.80 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.45 7.81 56 A 7.82 4.05 1.34 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 0.00 0.00 57 I 7.96 3.86 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.67 0.85 0.00 0.00 58 G 7.86 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 0.00 0.00 0.00 59 I 7.50 4.62 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.75 0.87 0.00 0.00 60 E 8.44 4.42 0.00 2.03 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 2.30 0.00 61 Q 8.74 3.87 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 62 P 0.00 4.27 0.00 2.14 2.10 0.00 3.51 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.18 0.00 63 S 8.62 4.28 0.00 4.04 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 64 L 7.69 3.97 0.00 1.73 1.80 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 65 V 8.14 3.60 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 0.93 0.00 0.00 0.95 0.00 0.00 66 R 7.51 3.91 0.00 1.89 1.90 0.00 3.14 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 67 T 7.37 3.87 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 1.24 0.00 0.00 68 L 8.29 3.93 0.00 1.81 1.75 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 69 D 8.29 4.33 0.00 2.85 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 Q 8.04 4.01 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.70 0.00 71 L 8.09 4.00 0.00 1.79 1.68 0.88 0.70 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 72 E 7.98 4.30 0.00 2.05 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 0.00 2.29 2.20 0.00 73 D 8.30 4.46 0.00 2.81 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 74 K 7.36 4.56 0.00 1.75 1.81 0.00 1.88 0.00 0.00 1.73 0.00 0.00 3.10 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.57 7.81 75 G 7.90 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 0.00 0.00 0.00 76 L 7.86 4.33 0.00 1.76 1.73 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 77 I 7.49 5.12 1.86 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 1.34 1.13 0.90 0.00 0.00 78 S 9.26 4.94 0.00 3.70 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 79 R 8.24 5.64 0.00 1.73 1.77 0.00 3.28 0.00 0.00 3.87 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.56 0.00 *90 R 8.11 4.30 0.00 1.86 1.88 0.00 3.20 0.00 0.00 3.33 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 91 I 8.27 4.96 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 1.22 0.95 0.91 0.00 0.00 92 K 8.66 4.82 0.00 1.67 1.65 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.51 7.81 93 L 8.75 4.60 0.00 1.55 1.63 0.97 0.95 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 94 T 8.69 4.32 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 1.25 0.00 0.00 95 E 9.03 3.93 0.00 2.00 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 0.00 2.42 2.39 0.00 96 K 7.42 3.89 0.00 2.01 1.90 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.48 7.81 97 A 7.86 4.20 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 98 E 7.88 4.01 0.00 2.16 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 2.33 2.40 0.00 99 P 0.00 3.99 0.00 2.12 1.96 0.00 4.01 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.06 0.00 100 L 7.11 3.54 0.00 1.75 1.83 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 101 I 8.94 3.68 2.02 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.76 0.84 0.00 0.00 102 A 7.95 3.94 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 E 8.57 3.89 0.00 2.10 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 2.31 2.44 0.00 104 M 8.16 3.90 0.00 2.21 2.07 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 105 E 8.49 3.93 0.00 1.97 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 2.42 2.17 0.00 106 E 8.25 3.96 0.00 2.05 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 0.00 2.29 2.36 0.00 107 V 7.59 3.53 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 0.94 0.00 0.00 0.94 0.00 0.00 108 I 7.80 3.62 1.97 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.28 0.87 0.00 0.00 109 H 8.65 4.03 0.00 3.23 3.50 0.00 5.59 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 0.00 110 K 8.29 3.92 0.00 1.92 1.85 0.00 1.59 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.62 7.81 111 T 8.05 3.76 4.44 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 1.15 0.00 0.00 112 R 8.52 4.02 0.00 2.09 2.14 0.00 3.16 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.96 0.00 113 G 7.96 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.05 4.07 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 115 I 7.40 3.64 1.40 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.16 -0.00 0.00 0.00 116 L 7.64 4.47 0.00 1.72 1.66 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 117 A 7.23 4.06 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 0.00 118 G 8.82 3.97 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 0.00 0.00 0.00 119 I 7.46 4.54 1.87 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 0.58 0.92 0.00 0.00 120 S 8.31 4.60 0.00 4.09 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 0.00 121 S 8.76 4.09 0.00 4.07 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 0.00 122 E 8.11 4.08 0.00 2.19 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 2.36 2.31 0.00 123 E 8.30 3.90 0.00 2.07 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 2.32 2.37 0.00 124 I 7.99 3.75 2.02 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 1.45 0.66 0.96 0.00 0.00 125 E 8.34 3.96 0.00 2.16 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 0.00 2.31 2.32 0.00 126 L 8.04 3.99 0.00 1.78 1.79 0.93 0.54 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 0.00 127 L 7.94 3.93 0.00 1.85 1.86 0.96 0.98 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 0.00 128 I 7.81 3.69 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.62 0.92 0.00 0.00 129 K 8.01 3.98 0.00 1.94 1.86 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.60 7.81 130 L 8.20 4.06 0.00 1.80 1.93 0.93 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.24 3.65 2.03 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.68 0.90 0.00 0.00 132 A 7.87 3.99 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 0.00 133 K 8.00 3.89 0.00 2.07 2.01 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.46 7.81 134 L 8.20 4.02 0.00 1.89 1.71 0.93 1.13 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 0.00 135 E 8.61 3.94 0.00 2.26 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 2.32 2.44 0.00 136 H 8.39 4.02 0.00 3.27 3.50 0.00 5.59 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 0.00 137 N 8.14 4.34 0.00 2.76 2.89 0.00 0.00 7.17 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 I 7.47 3.91 2.00 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 1.52 0.63 0.90 0.00 0.00 139 M 8.09 3.97 0.00 1.91 2.07 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.84 0.00 140 E 8.05 3.99 0.00 1.90 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 2.17 2.36 0.00 141 L 7.61 4.32 0.00 1.79 1.56 0.92 0.88 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 * Residues marked with a * may have inaccurate shift predictions.