NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.3296 8.3344 115.2814 58.0394 64.3428 174.3226 4 I 3.4967 7.5584 120.1348 59.1738 38.1341 173.9911 5 S 4.5620 9.1208 123.5411 57.2683 65.4785 173.6100 6 E 4.0572 8.5380 119.8367 59.2835 29.5823 179.7183 7 K 3.9736 7.6347 115.8765 57.4066 31.9794 178.2481 *9 V 3.9643 7.8895 118.5900 62.5489 33.2312 177.0463 10 E 3.9684 8.3744 119.6489 59.3191 29.3523 178.6543 11 A 3.9977 8.0295 120.7502 55.0677 18.3870 179.4914 12 L 3.9597 7.9413 116.9761 58.2536 41.6752 179.3464 13 N 4.4349 8.7415 116.5837 56.5182 38.4503 177.7448 14 R 4.0718 8.4025 119.8517 59.2339 30.1650 178.8309 15 Q 4.0605 8.4542 119.6055 59.0243 28.9746 178.3289 16 I 3.8080 8.2097 121.5313 64.4052 37.1682 177.7733 17 N 4.4074 8.4040 117.6712 56.8098 38.8163 176.7762 18 A 4.2467 8.1641 122.1514 55.2027 18.4377 179.5098 19 E 4.1260 8.8911 117.7164 59.6355 29.5472 179.5981 20 I 3.8763 7.9384 120.0676 64.3451 36.6983 177.7938 21 Y 4.1992 8.7045 120.9838 60.6362 38.5393 178.2803 22 S 3.7276 8.2884 116.1706 61.1730 62.9196 176.2285 23 A 4.2604 8.0019 123.5414 55.6756 18.0854 179.1508 24 Y 4.3656 8.0954 117.9412 60.5248 38.6087 177.5843 25 L 3.6946 7.5058 120.9285 58.4511 42.2624 178.5739 26 Y 4.5381 7.4412 114.7421 60.6364 38.0945 177.8614 27 L 4.0451 7.8242 121.7585 57.3838 42.0295 178.6801 28 S 4.4409 7.9457 112.8244 58.3234 62.4438 175.7402 *30 A 4.4581 8.0062 124.3165 51.8946 20.5880 179.8344 31 S 4.0941 8.0011 109.4561 61.5073 61.8242 175.4689 32 Y 4.2810 8.1828 122.2276 61.1792 38.4995 178.4568 33 F 3.8901 8.0808 117.9309 60.3131 39.1875 176.9912 34 D 4.3773 8.5172 118.2715 57.3977 40.8127 178.4647 35 S 4.3288 8.0509 113.5733 59.9787 63.0476 174.7508 36 I 4.2428 7.2154 115.8180 60.4331 37.4780 176.7677 37 G 3.9395 8.1543 109.3182 46.6242 0.0000 175.8373 38 L 4.5769 7.7609 121.4154 53.7841 39.9363 176.7666 39 K 4.1973 8.2177 123.1113 58.4589 32.5754 178.8580 40 G 4.0703 8.2197 107.2023 47.4706 0.0000 175.5345 41 F 3.7401 8.3221 119.4803 60.0072 38.8310 177.5177 42 S 4.4233 8.1662 113.9651 61.7671 62.9903 175.7988 43 N 4.4881 8.4512 119.7927 56.6618 38.5395 176.7298 44 W 4.0500 8.0321 127.2399 58.8327 31.2700 177.2923 *46 R 4.3993 7.9286 118.1016 55.9862 31.8264 178.0377 47 V 3.5475 8.2868 117.4705 66.0957 31.4110 177.9803 48 Q 3.6897 8.0662 119.3434 58.5008 28.7235 177.9490 49 W 4.3830 8.2560 129.3058 60.5765 30.6427 177.8204 50 Q 3.5233 7.9702 116.9456 58.7960 28.2030 178.1270 51 E 3.9716 7.9285 119.3255 59.2880 29.9867 178.4331 52 E 4.1140 8.6248 119.1269 58.9858 29.2390 179.7369 53 L 3.8837 7.2785 116.1503 55.5795 41.7552 177.9109 *55 H 4.9911 8.1599 117.5864 56.2005 30.4991 175.1768 56 A 4.3085 7.9403 118.9908 52.8234 17.6192 177.6989 *58 K 4.1299 8.0562 118.2087 57.9176 34.0104 176.9638 *60 F 4.6350 7.9968 120.2496 58.1696 41.0172 176.8179 61 D 4.4906 8.3216 119.8255 57.2396 40.6070 178.3317 62 F 3.8475 8.1753 121.2539 61.1621 39.2410 177.3278 63 V 3.2943 7.6198 117.3197 65.9150 31.2820 177.7895 64 S 4.0465 7.6907 112.7658 61.2061 62.0755 175.6990 65 E 3.9825 7.9859 118.3936 58.2256 29.5804 178.0592 66 R 4.1023 7.2851 117.8997 55.5736 30.2452 176.8298 67 G 3.7579 7.7853 107.0947 45.8900 0.0000 174.4035 68 G 3.6932 7.6898 108.0209 44.4600 0.0000 173.7680 69 R 4.1515 8.0615 120.6233 54.3485 30.7744 176.1362 70 V 4.0117 7.9164 125.2897 61.5958 32.0093 174.6627 71 K 4.3492 8.3663 128.1506 54.3596 33.9017 174.8104 72 L 4.3243 8.1127 126.0567 53.5716 42.9781 175.6307 73 Y 4.6251 7.9237 119.6874 55.4521 40.5123 175.2232 74 A 4.0727 8.5564 123.6728 52.8802 18.8250 177.1550 75 V 4.3241 8.0868 120.2176 60.9589 32.7788 175.6341 76 E 4.2429 8.7532 128.0161 55.3366 30.3122 175.6224 77 E 4.1620 8.8178 124.9590 55.9042 29.9112 175.1535 78 P 4.9096 0.0000 0.0000 60.6357 32.4317 173.9614 79 P 4.3586 0.0000 0.0000 63.3123 31.4849 176.3919 80 S 4.7230 7.5553 108.3833 57.1216 64.9591 173.5490 81 E 4.4072 6.7271 119.2046 54.3711 31.7677 174.6282 82 W 4.6017 7.0563 119.9010 54.4823 32.9052 176.4280 83 D 4.5958 8.8408 120.3401 56.9935 40.7723 177.1232 84 S 4.8025 7.5316 112.0580 56.3192 67.1560 175.4422 85 P 4.5306 0.0000 0.0000 66.0706 30.9451 178.4404 86 L 4.0535 8.1013 117.9733 58.3786 42.0243 178.8146 87 A 4.2421 8.1694 120.1267 54.8225 18.2708 179.2283 88 A 3.1575 8.5595 119.8883 55.4873 18.4039 179.9165 89 F 3.7534 8.4631 115.4909 60.0012 39.0843 178.0482 90 E 4.1623 8.7162 119.1136 59.5403 29.1365 178.7317 91 H 4.3713 8.4921 118.5972 59.0675 29.9789 177.3358 92 V 3.7375 7.8802 120.2740 66.3613 31.3403 177.3896 93 Y 4.2679 8.3637 119.1718 60.8499 38.8027 177.6505 94 E 3.8814 8.4118 120.1561 59.3243 29.7779 178.1766 95 H 4.2636 8.8320 118.9189 59.2739 29.8562 177.1812 96 E 4.1336 8.5414 120.6070 59.2641 29.3232 179.3661 97 V 3.5785 7.6478 118.4252 65.7289 31.3633 177.7532 98 N 4.2413 8.0094 116.5770 56.5471 38.7910 176.7860 99 V 3.5759 7.7410 119.6939 66.5287 31.4634 177.9740 100 T 3.7588 8.0536 115.2279 66.6402 68.3547 176.1546 101 K 3.8062 7.9806 121.3343 59.8610 32.1947 178.6488 102 R 3.9597 8.2344 118.9408 59.2427 29.9602 178.6119 103 I 3.7136 8.0545 120.0512 64.7174 37.1797 177.9155 104 H 4.2739 8.5921 117.4600 59.1118 28.2422 177.7268 105 E 4.0224 7.8146 119.1012 59.3835 29.4072 178.9555 106 L 4.1617 7.6630 117.7550 57.6348 41.7056 179.4530 107 V 3.8814 7.7521 117.4208 65.8379 31.6224 179.2286 108 E 4.2387 7.8815 116.7378 56.1242 29.7112 176.6357 *110 A 4.1620 7.8789 117.6003 51.6548 20.2244 179.1420 *112 Q 4.2202 8.1641 121.7838 57.7686 30.5681 175.8007 113 E 4.1915 8.2100 113.6866 55.8548 29.8636 176.1193 114 K 3.3845 7.6140 117.1069 57.3133 30.0387 175.9508 115 D 4.4920 7.8107 118.8453 52.8012 39.8933 176.2896 116 F 4.6985 7.5622 122.4092 59.7577 39.2842 176.6356 117 A 4.2263 8.1606 120.5146 55.6023 18.2989 179.6278 118 T 4.1325 8.4289 113.8707 66.5421 68.1244 176.3938 119 Y 4.1437 8.3534 121.6920 61.1385 38.6496 178.1862 120 N 4.4058 8.5382 115.9555 56.1974 38.8303 176.9454 121 F 4.2277 8.3504 122.0908 61.2953 39.4478 177.2302 122 L 3.9766 8.0616 118.0757 57.2463 41.3218 179.3517 123 Q 3.9125 7.5745 117.9050 58.2363 28.4695 178.3425 124 W 3.9495 7.8530 129.5073 60.7779 30.6766 177.6860 125 Y 3.8778 8.0381 116.0080 60.5456 37.1018 178.3228 126 V 3.5505 7.5555 118.6679 65.9112 31.8370 177.6703 127 A 3.9867 7.7750 120.5039 55.0840 18.1322 179.2082 128 E 3.4295 7.6704 117.8274 59.2819 29.4224 179.0817 129 Q 3.9524 8.0779 118.2178 58.6713 28.6749 176.6732 130 V 3.8770 7.5482 123.4835 63.5365 32.6832 176.4163 *131 E 4.3731 8.3129 115.2065 55.7376 31.9059 175.7198 132 E 4.0954 8.6087 120.5916 59.6761 29.5316 179.2304 133 E 4.0873 8.6431 118.5131 59.4973 29.5453 179.0435 134 A 4.0773 7.8459 120.4768 55.6058 18.0358 179.9365 135 S 4.1253 8.5600 113.5026 61.5578 62.9515 176.7980 136 A 4.2957 8.2958 123.5754 55.1528 18.2372 179.4508 137 L 3.5907 8.4515 119.2849 58.3184 42.2058 178.4446 138 D 4.3355 8.3301 118.2404 57.6286 40.9420 178.4379 139 I 3.5847 7.2945 118.7484 63.6241 37.0064 178.2763 140 V 3.5453 7.5008 119.1226 66.1853 31.4453 177.8127 141 E 3.9101 8.5733 118.3131 59.5052 29.3471 179.6090 142 K 3.9437 8.0149 118.2743 59.4830 32.0776 179.4423 143 L 4.0281 8.2481 119.6246 57.5765 41.2730 179.4619 144 R 3.8981 8.0798 117.6707 59.5990 30.1814 178.7145 145 L 4.1213 7.5578 116.6627 57.9011 41.8568 179.4480 146 I 3.8627 8.0087 119.9917 61.6339 37.1653 178.7474 147 G 3.7925 8.2087 106.6762 47.0183 0.0000 174.1403 148 E 4.3050 8.8091 123.1233 55.8530 29.9383 175.5365 149 D 4.3719 8.0320 120.1196 54.5211 41.8278 176.5165 150 K 4.1115 8.5997 127.7426 58.7875 32.3056 179.0299 151 R 3.8917 8.1509 118.6295 59.6818 30.0270 178.2742 152 A 4.0332 8.0023 120.3344 54.6194 18.3763 179.1774 153 L 3.9759 8.0191 119.0902 58.6769 42.1754 179.4441 154 L 4.1073 8.4570 119.1322 57.6731 41.6466 179.2660 155 F 4.1056 8.7112 121.1397 61.0026 39.2177 176.8418 156 L 4.0302 8.0857 119.5900 57.6875 41.9759 178.2272 157 D 4.0779 8.3029 118.2270 57.0192 41.2609 178.1743 158 K 3.8929 8.0186 120.3969 59.0171 32.0633 178.3870 159 E 3.6994 7.5618 119.2957 59.3390 29.0534 178.9690 160 L 3.9462 7.8338 118.5622 57.4351 41.2871 179.4584 161 S 4.1564 7.4795 114.4048 61.3774 62.7821 175.9881 162 L 4.1505 7.7785 119.9986 55.1575 41.9649 177.3730 163 R 4.0991 6.9596 118.9044 56.1603 30.7571 176.1750 164 Q 4.0877 8.2403 121.5849 56.2117 29.7634 175.0804 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 8.33 4.33 0.00 3.81 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 4 I 7.56 3.50 1.77 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 1.44 1.18 0.88 0.00 0.00 5 S 9.12 4.56 0.00 4.00 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 8.54 4.06 0.00 2.04 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 2.37 2.27 0.00 7 K 7.63 3.97 0.00 1.92 1.76 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.38 7.81 *9 V 7.89 3.96 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 0.90 0.00 0.00 10 E 8.37 3.97 0.00 2.18 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 2.32 2.40 0.00 11 A 8.03 4.00 1.41 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 0.00 0.00 0.00 0.00 0.00 12 L 7.94 3.96 0.00 1.89 1.80 1.09 0.80 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 13 N 8.74 4.43 0.00 3.02 3.14 0.00 0.00 7.10 7.68 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 14 R 8.40 4.07 0.00 2.00 1.96 0.00 3.05 0.00 0.00 2.83 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.72 0.00 15 Q 8.45 4.06 0.00 2.17 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 16 I 8.21 3.81 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 1.55 0.69 1.08 0.00 0.00 17 N 8.40 4.41 0.00 3.10 3.12 0.00 0.00 7.15 8.52 0.00 0.00 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 8.16 4.25 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 19 E 8.89 4.13 0.00 2.21 2.17 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 2.70 2.68 0.00 20 I 7.94 3.88 1.96 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 1.40 0.97 0.93 0.00 0.00 21 Y 8.70 4.20 0.00 3.15 3.10 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 0.00 22 S 8.29 3.73 0.00 4.16 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 23 A 8.00 4.26 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 8.10 4.37 0.00 3.21 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 25 L 7.51 3.69 0.00 1.00 1.19 1.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 7.44 4.54 0.00 3.26 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 27 L 7.82 4.05 0.00 1.22 1.47 -0.06 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 28 S 7.95 4.44 0.00 3.75 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 *30 A 8.01 4.46 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 31 S 8.00 4.09 0.00 3.91 4.07 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 32 Y 8.18 4.28 0.00 3.23 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 33 F 8.08 3.89 0.00 3.15 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 34 D 8.52 4.38 0.00 2.75 2.83 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 35 S 8.05 4.33 0.00 4.08 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 36 I 7.22 4.24 1.74 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.53 0.70 0.00 0.00 37 G 8.15 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 38 L 7.76 4.58 0.00 1.91 1.75 0.65 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.22 4.20 0.00 1.79 1.87 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.46 7.81 40 G 8.22 4.07 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 0.00 0.00 0.00 41 F 8.32 3.74 0.00 2.61 1.53 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 0.00 0.00 0.00 0.00 42 S 8.17 4.42 0.00 3.98 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 43 N 8.45 4.49 0.00 2.82 3.07 0.00 0.00 6.91 7.74 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 44 W 8.03 4.05 0.00 3.29 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 *46 R 7.93 4.40 0.00 2.11 2.14 0.00 3.26 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.62 0.00 47 V 8.29 3.55 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 0.80 0.00 0.00 0.91 0.00 0.00 48 Q 8.07 3.69 0.00 1.49 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.59 0.00 0.00 0.00 0.00 0.00 1.48 2.30 0.00 49 W 8.26 4.38 0.00 3.70 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 50 Q 7.97 3.52 0.00 2.17 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.57 0.00 51 E 7.93 3.97 0.00 1.91 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 2.09 2.30 0.00 52 E 8.62 4.11 0.00 2.08 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 2.79 2.84 0.00 53 L 7.28 3.88 0.00 1.50 1.42 0.60 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 *55 H 8.16 4.99 0.00 3.56 3.79 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 7.94 4.31 1.42 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 0.00 0.00 0.00 *58 K 8.06 4.13 0.00 1.74 2.10 0.00 0.74 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 1.61 1.36 7.81 *60 F 8.00 4.63 0.00 3.22 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 61 D 8.32 4.49 0.00 2.98 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 62 F 8.18 3.85 0.00 2.16 2.37 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 63 V 7.62 3.29 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 0.85 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.09 0.00 0.00 141 E 8.57 3.91 0.00 2.05 1.94 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 2.28 2.28 0.00 142 K 8.01 3.94 0.00 1.86 1.81 0.00 1.55 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.42 1.53 7.81 143 L 8.25 4.03 0.00 1.87 1.73 0.93 0.90 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 0.00 144 R 8.08 3.90 0.00 1.93 2.00 0.00 3.15 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 145 L 7.56 4.12 0.00 1.82 1.71 0.89 0.82 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 8.01 3.86 2.09 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 1.47 0.58 0.96 0.00 0.00 147 G 8.21 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 0.00 148 E 8.81 4.31 0.00 1.96 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 2.25 2.23 0.00 149 D 8.03 4.37 0.00 2.72 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 0.00 150 K 8.60 4.11 0.00 1.85 1.84 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.67 7.81 151 R 8.15 3.89 0.00 1.88 2.04 0.00 3.16 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 152 A 8.00 4.03 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 0.00 153 L 8.02 3.98 0.00 1.90 1.88 0.91 0.39 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 0.00 154 L 8.46 4.11 0.00 1.92 1.75 0.95 0.91 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 8.71 4.11 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 0.00 156 L 8.09 4.03 0.00 1.93 1.92 0.72 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 157 D 8.30 4.08 0.00 3.26 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 8.02 3.89 0.00 1.90 1.52 0.00 1.55 0.00 0.00 1.41 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.37 7.81 159 E 7.56 3.70 0.00 1.72 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 2.18 2.23 0.00 160 L 7.83 3.95 0.00 1.47 1.65 0.62 -0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 161 S 7.48 4.16 0.00 4.04 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 0.00 162 L 7.78 4.15 0.00 1.75 1.67 0.86 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 163 R 6.96 4.10 0.00 1.79 1.89 0.00 2.61 0.00 0.00 2.71 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.48 0.00 164 Q 8.24 4.09 0.00 1.98 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.42 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.