NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.3724 8.3193 115.2832 57.5962 63.0714 173.4145 4 I 3.5819 8.2344 121.8285 59.3919 37.7256 174.4004 5 S 4.5361 9.0568 118.5471 57.2803 65.4259 175.2362 6 E 4.0583 8.6646 120.3493 59.5050 29.5069 178.4037 7 K 4.0502 7.5939 117.9655 56.9417 32.4738 178.7929 *9 V 3.9841 7.9601 118.1324 62.4297 33.2911 176.9503 10 E 3.9840 8.2516 119.7490 59.1635 29.3747 178.5865 11 A 4.0142 8.0320 120.9024 55.0863 18.3492 179.6647 12 L 3.9840 7.8906 117.0366 58.1230 41.5236 179.3255 13 N 4.2250 8.5443 116.6282 56.3929 38.4200 177.7435 14 R 4.0592 8.3586 119.7729 59.1921 30.1162 178.8224 15 Q 4.0280 8.1364 119.5191 58.7937 28.9733 177.9174 16 I 3.7610 8.6430 121.9114 64.6160 37.1618 177.6126 17 N 4.3689 8.5250 117.4478 56.9382 38.7200 176.7059 18 A 4.1562 8.2449 122.0562 55.0432 18.3945 179.4999 19 E 4.0590 8.8328 117.7521 59.7212 29.5789 179.6320 20 I 3.7647 8.1321 120.0195 64.3440 37.2361 177.8262 21 Y 4.1624 8.5095 120.8014 60.8273 38.6495 178.0295 22 S 3.6303 8.5803 116.2834 61.6290 62.9238 176.5088 23 A 4.1707 8.1027 123.1158 55.7783 18.0704 179.1565 24 Y 4.2670 8.0720 117.7804 60.4817 38.5777 177.6342 25 L 3.6607 7.8683 121.2323 58.3841 42.2380 178.4696 26 Y 4.5026 7.5097 115.1713 60.8102 37.9212 177.8447 27 L 3.9821 8.1870 121.8991 57.6427 42.1325 179.6616 28 S 4.3106 7.9733 112.4756 58.3453 62.3665 175.6617 *30 A 4.6023 8.0497 124.7914 51.8356 20.6054 179.8911 31 S 4.1352 7.9087 109.8351 61.4263 62.2052 175.5180 32 Y 4.3016 8.2647 122.4232 61.1206 38.5120 178.4267 33 F 3.9071 8.0810 117.8566 60.1690 39.1583 177.3313 34 D 4.4306 8.4078 119.0811 57.5257 40.4464 179.0833 35 S 4.2461 8.0437 113.6213 60.2852 62.9289 175.3427 36 I 4.4291 6.9765 115.7929 60.3053 38.6304 175.8969 37 G 3.9270 7.8719 106.1853 47.5307 0.0000 175.4725 38 L 4.6735 7.6948 121.6383 52.6025 41.1505 177.3369 39 K 4.3015 8.1462 122.0220 58.4427 32.4574 178.6673 40 G 3.5939 8.8541 107.0605 47.5395 0.0000 176.0282 41 F 3.6758 8.2718 118.8733 59.8949 38.8924 177.0098 42 S 4.3943 7.8076 112.0828 61.7218 62.3782 175.3588 43 N 4.4993 8.2527 119.3231 56.5343 38.7168 177.0132 44 W 4.2537 8.0201 125.6721 58.5887 30.6799 177.3880 *46 R 4.4692 7.9358 118.4568 55.9309 31.8259 178.0950 47 V 3.5749 8.0480 117.2678 65.9540 31.3565 177.8431 48 Q 3.8148 7.8154 118.6582 58.2213 28.7817 177.7557 49 W 4.3436 8.2848 129.4475 60.5382 30.6063 177.8000 50 Q 3.4555 7.8062 116.9599 58.6912 28.2020 177.9656 51 E 4.0249 7.8856 119.2205 59.4009 29.8870 178.4747 52 E 4.1095 8.4357 118.7808 58.9923 29.2390 179.7685 53 L 4.0851 7.2909 116.8911 55.4050 41.9481 178.0479 *55 H 4.9019 8.1673 117.2629 56.1659 30.4797 175.8011 56 A 4.2813 8.0531 119.6035 52.6118 17.2346 177.6994 *58 K 4.1101 8.0783 118.2889 57.9313 33.8769 176.9431 *60 F 4.7317 8.0021 120.8497 57.9993 41.0989 176.8040 61 D 4.6419 8.3252 119.8359 57.3276 40.5783 178.3574 62 F 3.8775 8.0414 121.0956 60.7933 38.9118 177.4960 63 V 3.3576 7.6610 117.6921 65.8981 31.3488 177.8440 64 S 4.1758 7.3735 112.8461 60.6500 62.0215 175.6002 65 E 3.9070 7.6927 120.7035 58.3718 29.4668 177.9733 66 R 3.9502 7.0536 116.1004 56.5697 30.3673 177.0552 67 G 3.8403 7.9425 108.1922 45.0573 0.0000 174.1172 68 G 3.7587 7.3284 108.5057 45.1948 0.0000 172.1498 69 R 4.4590 7.9078 118.1149 54.0947 32.8226 174.2853 70 V 4.0464 7.9700 123.9275 60.8342 32.2404 174.7591 71 K 4.2392 8.3334 128.4641 54.7798 33.3098 175.2566 72 L 4.5077 7.9766 125.6685 53.3993 43.3281 175.3212 73 Y 4.7895 8.0483 118.4896 55.3744 41.2210 175.2176 74 A 4.0188 8.5189 124.0042 52.6516 18.9561 177.4606 75 V 4.3914 8.0436 119.3614 60.7365 33.1796 175.6837 76 E 4.2124 8.7702 126.7475 55.9934 30.0224 176.2911 77 E 4.3394 8.6735 122.4499 55.2992 29.9631 175.0388 78 P 5.1515 0.0000 0.0000 60.8994 32.3148 173.9849 79 P 4.4079 0.0000 0.0000 63.0330 31.6519 176.0662 80 S 4.6769 7.6643 108.8215 56.3164 64.3391 173.4332 81 E 4.4420 6.4934 118.8569 54.6535 33.0839 174.4999 82 W 4.7797 7.2998 118.4851 55.1978 33.0667 176.0273 83 D 4.1445 8.8677 121.5068 57.1114 40.7859 177.0555 84 S 4.7289 7.5940 111.8869 56.0462 67.1649 175.3112 85 P 4.4657 0.0000 0.0000 66.0180 30.9952 178.6571 86 L 4.0477 8.0117 118.2334 58.1715 41.9959 178.7771 87 A 4.2937 8.0862 120.4056 54.9479 18.2288 179.4979 88 A 3.3151 8.2170 119.4399 55.2743 18.3830 179.8434 89 F 3.6402 8.3817 115.7785 59.8096 38.9032 178.0858 90 E 4.1111 8.4055 118.9390 59.5756 29.3054 178.3875 91 H 4.2366 8.5872 118.6049 59.5187 29.8572 176.9579 92 V 3.6954 7.8579 119.9866 66.4378 31.0945 177.2320 93 Y 4.1644 8.3689 118.9276 60.9189 38.8564 177.5657 94 E 3.7303 8.7322 120.5317 59.3231 29.7034 178.2046 95 H 4.0933 8.9861 118.6183 59.5566 30.0311 177.1921 96 E 4.1138 8.5292 120.4223 59.3731 29.3608 179.5102 97 V 3.6977 7.8646 118.5631 65.6511 31.4450 177.4836 98 N 4.3573 7.9046 116.7549 56.0950 38.7388 177.1967 99 V 3.6121 7.7790 119.8925 66.1001 31.5746 177.9354 100 T 3.8458 8.4061 115.9236 66.6551 68.3397 176.1801 101 K 3.8262 7.8755 121.0595 59.6885 32.1721 178.9241 102 R 3.9576 7.9839 118.1507 59.3508 29.9104 179.1869 103 I 3.7413 8.1861 119.9523 64.7480 37.1488 178.1740 104 H 4.2048 8.5810 117.2162 58.9082 28.2447 177.7790 105 E 4.0188 8.1613 119.6369 59.2204 29.3790 178.7853 106 L 4.1584 7.6836 117.9942 57.9711 41.8365 179.2967 107 V 3.9380 7.8834 116.7442 66.1968 31.4606 179.0751 108 E 4.0747 7.9526 114.7995 56.6827 29.8615 177.3614 *110 A 4.2059 7.8603 119.7569 52.3416 20.2329 179.5164 *112 Q 4.2208 8.2052 119.4187 57.6724 30.4603 176.4361 113 E 4.1926 8.1745 113.2911 55.8593 29.7202 176.3759 114 K 3.5027 7.7432 116.6730 57.3694 29.8410 176.3327 115 D 4.4919 7.8540 120.0827 53.3858 39.5715 175.6417 116 F 4.7363 7.9797 123.7805 59.8026 39.3825 176.6895 117 A 4.2005 8.2405 120.1620 55.7886 18.3257 179.7379 118 T 4.1164 8.4697 114.2142 66.8175 68.2913 176.3756 119 Y 4.2035 8.1073 120.9317 60.7137 39.0763 177.5607 120 N 4.4040 8.4351 117.8885 56.5437 38.7974 176.5608 121 F 4.1486 8.1966 122.0890 61.4686 39.3152 176.7959 122 L 4.0394 8.1041 117.3364 56.6823 41.5753 179.0985 123 Q 3.9051 7.9083 118.6634 58.2925 28.4070 178.3693 124 W 3.8406 7.7308 129.2760 60.6146 30.7245 177.5656 125 Y 3.9203 7.9407 115.9003 60.2776 37.1876 178.0385 126 V 3.5697 7.4639 118.8010 65.9794 32.0864 177.6401 127 A 3.9913 7.6396 120.2045 54.9187 18.1755 179.0368 128 E 3.4699 7.6953 118.0683 59.5395 29.5149 179.2145 129 Q 4.0091 8.1248 117.8906 58.5336 28.7576 178.7332 130 V 3.5802 7.5698 119.1989 66.0241 31.5400 177.6594 131 E 3.9197 8.0238 118.2645 59.3887 29.6304 178.2835 132 E 4.0837 8.3299 118.6339 59.6178 29.4571 179.3383 133 E 4.1629 8.4432 118.2341 59.4879 29.4890 179.3466 134 A 4.0602 8.0293 120.3663 55.1327 17.9164 179.8419 135 S 4.1358 8.7066 113.9641 61.8819 63.0032 176.8952 136 A 4.2988 8.1740 122.9795 54.9094 18.0748 179.4873 137 L 3.6518 8.4039 119.2357 58.4419 42.1190 178.8213 138 D 4.3097 8.3755 119.1160 57.5778 40.7126 179.0072 139 I 3.4857 7.3217 119.1073 63.6273 37.0043 178.4308 140 V 3.5585 7.6995 119.2045 66.1260 31.3012 177.8124 141 E 3.9021 8.3056 118.4554 59.4429 29.3183 179.4794 142 K 3.8559 8.1391 118.5096 59.6793 32.2684 179.4215 143 L 4.0916 7.9778 118.8840 57.3802 41.2228 179.9318 144 R 3.8815 7.7786 117.6790 59.1860 30.2173 177.9713 145 L 4.0297 7.7993 118.8797 58.7167 42.2167 178.9219 146 I 3.9048 7.9437 119.4471 62.4327 37.3029 177.1244 147 G 3.6913 8.1369 108.0029 47.1981 0.0000 174.5994 148 E 4.2365 8.7638 123.0229 56.5333 29.5337 176.4129 149 D 4.4064 7.8998 120.3267 54.4220 42.1063 176.6319 150 K 4.1480 8.6270 126.5153 59.0378 32.4248 179.3394 151 R 3.9672 8.0759 117.8120 59.2273 29.9283 178.7788 152 A 4.0291 8.5037 120.6456 54.9027 18.3953 179.2982 153 L 3.9550 7.6996 118.0251 58.3420 42.1104 179.0027 154 L 4.4736 7.9296 117.9670 56.6633 41.7209 179.0802 155 F 4.0661 7.9463 121.4487 61.0592 39.3032 176.8372 156 L 3.9507 8.4020 120.2672 58.2289 41.8747 178.2510 157 D 4.2196 8.5478 118.3387 57.3703 40.9068 178.2919 158 K 3.8374 7.8524 118.7651 59.4235 32.4809 178.2292 159 E 3.9129 7.8987 118.7864 59.5151 29.5061 179.4936 160 L 4.0272 7.9133 119.1261 57.3235 41.3568 179.3806 161 S 4.2660 7.6604 113.2350 60.4947 62.9590 175.6159 162 L 4.1787 7.6396 121.2919 54.7896 42.0216 177.0034 163 R 4.0584 7.3170 120.1061 55.9867 30.7295 176.1434 164 Q 4.1790 8.3935 121.3451 56.3220 28.7381 175.1144 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 S 8.32 4.37 0.00 3.82 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.23 3.58 1.84 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.76 0.95 0.00 0.00 5 S 9.06 4.54 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 6 E 8.66 4.06 0.00 2.05 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 2.29 0.00 7 K 7.59 4.05 0.00 1.86 1.75 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.38 7.81 *9 V 7.96 3.98 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 0.98 0.00 0.00 0.92 0.00 0.00 10 E 8.25 3.98 0.00 2.18 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 2.32 2.39 0.00 11 A 8.03 4.01 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 L 7.89 3.98 0.00 1.94 1.81 1.10 0.83 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 13 N 8.54 4.23 0.00 3.06 3.17 0.00 0.00 7.07 8.43 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 14 R 8.36 4.06 0.00 2.01 1.94 0.00 3.02 0.00 0.00 2.64 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.70 0.00 15 Q 8.14 4.03 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 16 I 8.64 3.76 2.17 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.65 1.07 0.00 0.00 17 N 8.52 4.37 0.00 3.08 3.10 0.00 0.00 7.19 8.00 0.00 0.00 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 A 8.24 4.16 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.83 4.06 0.00 2.18 2.14 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 2.66 2.64 0.00 20 I 8.13 3.76 2.08 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 1.42 1.02 0.94 0.00 0.00 21 Y 8.51 4.16 0.00 3.13 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.58 3.63 0.00 4.05 3.71 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 23 A 8.10 4.17 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 8.07 4.27 0.00 3.17 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 25 L 7.87 3.66 0.00 0.87 1.20 1.03 0.80 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 26 Y 7.51 4.50 0.00 3.22 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 27 L 8.19 3.98 0.00 1.09 1.39 0.19 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 28 S 7.97 4.31 0.00 3.79 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 0.00 *30 A 8.05 4.60 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 S 7.91 4.14 0.00 3.86 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 32 Y 8.26 4.30 0.00 3.30 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 33 F 8.08 3.91 0.00 3.14 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 34 D 8.41 4.43 0.00 2.89 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 35 S 8.04 4.25 0.00 4.03 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 36 I 6.98 4.43 1.75 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.51 0.76 0.00 0.00 37 G 7.87 3.93 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 0.00 0.00 0.00 38 L 7.69 4.67 0.00 1.90 1.77 0.60 0.60 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 39 K 8.15 4.30 0.00 1.78 1.88 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.55 1.46 7.81 40 G 8.85 3.59 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 0.00 41 F 8.27 3.68 0.00 2.26 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 S 7.81 4.39 0.00 4.11 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 N 8.25 4.50 0.00 2.83 3.00 0.00 0.00 6.94 7.35 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 44 W 8.02 4.25 0.00 3.42 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 *46 R 7.94 4.47 0.00 2.13 2.14 0.00 3.29 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.63 0.00 47 V 8.05 3.57 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 0.78 0.00 0.00 0.86 0.00 0.00 48 Q 7.82 3.81 0.00 1.50 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 1.92 2.51 0.00 49 W 8.28 4.34 0.00 3.74 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 50 Q 7.81 3.46 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.73 0.00 0.00 0.00 0.00 0.00 2.08 2.46 0.00 51 E 7.89 4.02 0.00 1.94 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 2.21 2.38 0.00 52 E 8.44 4.11 0.00 2.05 2.18 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 2.76 2.66 0.00 53 L 7.29 4.09 0.00 1.42 1.44 0.62 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 *55 H 8.17 4.90 0.00 3.55 3.83 0.00 5.72 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.05 4.28 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 *58 K 8.08 4.11 0.00 1.65 1.97 0.00 0.62 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.54 1.35 7.81 *60 F 8.00 4.73 0.00 3.19 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 61 D 8.33 4.64 0.00 2.99 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 62 F 8.04 3.88 0.00 2.51 2.56 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 0.00 0.00 0.00 0.00 63 V 7.66 3.36 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 0.85 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.11 0.00 0.00 141 E 8.31 3.90 0.00 2.19 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 0.00 2.27 2.27 0.00 142 K 8.14 3.86 0.00 1.80 1.80 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.54 7.81 143 L 7.98 4.09 0.00 1.92 1.73 0.97 0.80 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 0.00 144 R 7.78 3.88 0.00 1.94 1.97 0.00 3.17 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 145 L 7.80 4.03 0.00 1.71 1.89 0.88 1.37 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 0.00 146 I 7.94 3.90 2.12 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 1.45 0.90 0.92 0.00 0.00 147 G 8.14 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 0.00 0.00 0.00 148 E 8.76 4.24 0.00 1.95 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 2.29 2.35 0.00 149 D 7.90 4.41 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 0.00 150 K 8.63 4.15 0.00 1.84 1.84 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.70 7.81 151 R 8.08 3.97 0.00 1.98 2.00 0.00 3.13 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 152 A 8.50 4.03 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 0.00 153 L 7.70 3.96 0.00 1.93 1.93 0.87 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 154 L 7.93 4.47 0.00 1.94 1.74 0.94 1.42 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 0.00 155 F 7.95 4.07 0.00 3.02 3.17 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 0.00 156 L 8.40 3.95 0.00 1.88 2.00 0.76 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 157 D 8.55 4.22 0.00 3.15 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 0.00 158 K 7.85 3.84 0.00 1.82 1.61 0.00 1.76 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.38 7.81 159 E 7.90 3.91 0.00 2.03 1.84 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 2.06 2.43 0.00 160 L 7.91 4.03 0.00 1.43 1.64 0.64 -0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 161 S 7.66 4.27 0.00 4.01 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 0.00 162 L 7.64 4.18 0.00 1.71 1.71 0.83 0.65 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 0.00 163 R 7.32 4.06 0.00 1.82 1.79 0.00 2.64 0.00 0.00 2.74 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.46 0.00 164 Q 8.39 4.18 0.00 2.12 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.42 0.00 0.00 0.00 0.00 0.00 2.17 2.27 0.00 * Residues marked with a * may have inaccurate shift predictions.