NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 N 4.6893 8.2714 118.2105 52.1911 39.0317 174.7759 12 G 3.5309 8.6159 104.6957 47.3414 0.0000 170.6532 13 V 3.6670 8.0161 120.5499 65.8023 32.0329 175.9148 14 H 4.2307 9.2440 118.4568 59.2442 29.6733 176.9307 15 D 4.2506 8.0283 120.6236 57.4478 40.1840 178.2826 16 F 3.9914 8.1902 121.0324 61.6352 39.2062 177.4150 17 I 3.7817 7.8661 118.6670 64.4145 37.0074 178.3019 18 L 3.9536 7.8513 119.8176 57.8701 41.5491 179.8031 19 V 3.5576 7.9192 118.1860 66.1085 31.4693 178.3049 20 R 3.9130 7.5889 116.5463 58.5908 29.8497 178.8023 21 A 3.9573 8.3503 121.4658 55.5207 18.4009 179.9109 22 T 3.9230 8.1179 107.9793 64.6971 68.9477 176.5907 23 A 4.0031 7.8480 123.5485 55.0808 18.3998 179.7098 24 I 3.7465 7.7785 118.3551 64.3424 37.1673 178.8343 25 V 3.6997 7.6677 118.7590 66.2149 31.4412 178.2291 26 L 4.1866 8.3830 118.8141 57.8596 41.3749 179.6666 27 T 3.9853 7.9518 115.7943 66.5352 68.3641 176.7809 28 L 4.1824 8.0335 120.6204 57.9303 41.6336 178.8822 29 Y 3.2031 8.3717 119.6494 60.4235 38.6484 178.1135 30 I 3.6909 8.1154 120.9359 64.3621 37.1848 178.4408 31 I 3.8145 7.8445 120.7729 64.3890 36.7551 177.9424 32 Y 4.1117 8.0708 120.3847 61.1075 38.8314 177.9354 33 M 3.9468 8.1553 120.0720 58.2245 31.9213 179.0014 34 V 3.7996 8.4059 119.1410 65.6876 31.4690 178.0517 35 G 3.7175 7.9377 104.7506 47.9479 0.0000 174.9332 36 F 3.9679 7.6143 123.1792 60.9006 39.0906 176.9489 37 F 3.6146 7.7714 115.5151 60.3521 38.8671 176.8165 38 A 4.4338 7.9906 117.4120 52.1987 19.9184 178.1548 39 T 4.6061 7.4144 107.5456 59.6215 69.0335 173.9926 40 S 4.3490 7.7728 114.3941 58.0253 68.2280 177.6968 41 G 3.5367 7.8813 110.2388 46.0391 0.0000 173.1419 42 E 3.7882 8.8239 121.4812 57.2820 29.8263 178.2384 43 L 4.3964 8.1771 126.3164 53.6626 40.6358 176.9276 44 T 4.1551 7.5960 115.8725 61.6625 70.0679 173.2684 45 Y 4.3196 8.8191 126.3141 60.7383 38.6289 178.5725 46 E 3.8241 8.4394 120.3240 59.4669 30.0376 179.2040 47 V 3.7735 7.8467 111.8653 63.8247 31.4620 178.3695 48 W 4.3454 8.2654 128.3157 60.6971 30.5278 177.9851 49 I 3.7826 7.7332 117.9957 63.5084 37.0893 178.0592 50 G 3.5557 7.8363 106.4270 47.5187 0.0000 175.2877 51 F 4.1235 8.0145 122.6893 60.7185 39.1329 176.4496 52 F 3.9875 7.3843 113.8975 57.7878 39.0393 176.7127 53 A 4.2618 7.2056 120.4229 52.2143 19.6189 177.8518 54 S 4.0562 6.9929 111.7842 57.8925 63.2675 174.9928 55 A 3.9891 8.6473 128.8636 55.1891 18.0928 179.7854 56 F 3.9124 7.9390 118.9240 61.6555 39.4317 177.6343 57 T 3.7255 7.7210 114.9078 66.2990 68.2693 176.6098 58 K 3.8197 7.8780 120.3617 59.4956 32.0885 179.4687 59 V 3.4330 7.5469 118.1228 66.0441 31.5100 177.7573 60 F 4.1860 7.7805 120.3053 61.6075 39.0914 177.2824 61 T 3.6045 8.1389 115.4047 66.5723 68.3026 176.8565 62 L 3.8770 7.8575 120.9241 57.4998 41.5639 179.2521 63 L 4.0354 8.3698 120.6383 58.1447 41.9682 178.9493 64 A 3.8779 7.7918 120.6811 55.0568 18.1653 179.6309 65 L 3.9816 7.7949 117.5192 57.8894 41.6941 179.7905 66 F 4.1104 8.3234 117.8915 60.6328 38.8277 177.9346 67 S 4.2454 8.2642 114.8901 61.6201 62.5516 176.8083 68 I 3.7955 8.2901 123.0522 64.0786 36.8424 177.9166 69 L 4.0158 8.0215 121.2523 58.4681 41.8687 179.2948 70 I 3.8347 7.7937 119.1448 64.5783 37.1211 177.9171 71 M 3.9680 8.5186 119.1690 58.8688 32.1194 178.1369 72 A 4.0947 8.7162 121.1214 54.7759 18.5937 179.3838 73 W 4.6334 8.4139 126.8699 60.9621 30.7547 178.2691 74 I 3.4177 7.8232 119.8589 64.0940 36.3909 178.7056 75 G 3.6104 8.2184 106.4645 48.3007 0.0000 175.7857 76 M 4.1914 8.6842 122.0874 57.5575 32.0063 178.6865 77 W 3.8525 8.0327 128.7130 60.3773 30.4762 178.1231 78 Q 3.7743 7.7089 118.5684 58.0565 28.4980 178.4455 79 V 3.5056 7.4932 119.1722 65.8604 31.5520 178.1638 80 L 3.9780 7.8586 119.0180 57.8487 41.5785 179.1719 81 T 3.7336 7.2558 107.9801 63.2281 68.3302 175.6941 82 D 4.2577 7.0821 120.9489 55.9101 41.6228 176.6816 83 Y 4.6357 7.4130 113.8640 57.8100 39.7919 175.6152 84 V 4.1906 7.8155 119.6563 61.0665 31.2754 175.4324 85 K 4.0494 8.5597 126.5065 58.5557 32.6188 177.0684 86 P 4.1896 0.0000 0.0000 62.8164 32.0135 176.3138 87 L 3.8705 8.6662 124.3906 58.2432 42.1899 178.4614 88 A 3.9893 8.0455 119.9803 55.4086 18.3139 179.1903 89 L 3.9239 7.8931 118.0614 58.2273 42.0997 179.0520 90 R 3.9154 8.0544 118.7526 59.4111 30.0958 178.4815 91 L 4.0853 8.2275 119.0222 58.0639 41.5836 179.4745 92 M 4.1136 8.0861 118.6856 58.4095 31.9129 178.8404 93 L 4.0985 8.0023 119.1316 57.8272 41.6787 179.5825 94 Q 4.3212 8.5496 118.4195 58.5337 28.5636 178.4275 95 L 3.8112 7.9750 121.6069 58.0853 42.1741 179.0584 96 V 3.5209 7.7326 118.1266 66.0763 31.4079 178.0191 97 I 3.6387 7.7443 119.3367 64.3323 36.9217 178.5605 98 V 3.1325 7.6455 119.1197 65.8189 31.2309 178.0105 99 V 3.4060 7.7573 117.8426 65.9995 31.2275 177.7515 100 A 3.7519 7.9099 120.3149 55.0737 18.0297 179.6130 101 L 3.4396 7.6595 117.4417 57.7892 41.6800 179.9731 102 V 3.4982 7.8419 118.4464 65.8252 31.4329 178.1988 103 V 3.6205 8.0035 118.5203 66.0467 31.3130 177.3778 104 Y 4.4439 8.0288 116.7197 61.3811 37.8507 179.0069 105 V 3.5481 7.6170 118.6325 66.0882 31.6266 178.0763 106 I 3.7880 7.9010 119.4695 64.7190 37.0161 177.8212 107 Y 4.3092 8.8473 120.8046 60.6424 38.5445 178.3937 108 G 3.5603 8.3725 106.8563 47.6532 0.0000 175.7602 109 F 3.8980 8.1766 120.0323 60.3505 38.7444 177.9714 110 V 3.6132 7.6032 116.6817 65.8881 31.3543 177.9829 111 V 3.5287 7.3568 117.1768 65.9111 31.5669 178.0820 112 V 3.8584 7.7808 114.4946 64.4170 31.3825 179.1648 *113 W 4.1499 8.1739 121.6079 59.8278 28.8166 178.7774 114 G 4.4043 7.4594 105.5809 45.7516 0.0000 173.5154 115 V 3.9723 7.4867 122.4251 62.7768 31.8782 174.6253 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 11 N 8.27 4.69 0.00 2.96 3.02 0.00 0.00 5.99 6.07 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 12 G 8.62 3.53 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 0.00 0.00 0.00 13 V 8.02 3.67 2.23 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 1.05 0.00 0.00 0.90 0.00 0.00 14 H 9.24 4.23 0.00 3.34 3.41 0.00 5.84 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 15 D 8.03 4.25 0.00 2.91 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 16 F 8.19 3.99 0.00 3.27 3.25 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 17 I 7.87 3.78 2.04 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 1.68 0.81 0.93 0.00 0.00 18 L 7.85 3.95 0.00 1.76 1.68 0.79 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.92 3.56 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 0.94 0.00 0.00 0.92 0.00 0.00 20 R 7.59 3.91 0.00 1.73 1.85 0.00 2.44 0.00 0.00 2.73 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.37 0.00 21 A 8.35 3.96 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.12 3.92 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 1.32 0.00 0.00 23 A 7.85 4.00 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 0.00 0.00 24 I 7.78 3.75 2.04 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 1.42 1.19 0.95 0.00 0.00 25 V 7.67 3.70 2.28 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 1.16 0.00 0.00 1.02 0.00 0.00 26 L 8.38 4.19 0.00 1.82 1.79 0.97 0.89 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 27 T 7.95 3.99 4.47 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 1.27 0.00 0.00 28 L 8.03 4.18 0.00 2.20 2.06 1.02 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 8.37 3.20 0.00 2.71 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 30 I 8.12 3.69 1.97 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 1.61 0.72 0.94 0.00 0.00 31 I 7.84 3.81 2.13 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 1.46 0.88 0.99 0.00 0.00 32 Y 8.07 4.11 0.00 3.25 2.84 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 33 M 8.16 3.95 0.00 2.12 1.93 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.75 0.00 34 V 8.41 3.80 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 1.10 0.00 0.00 0.98 0.00 0.00 35 G 7.94 3.72 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 0.00 0.00 0.00 36 F 7.61 3.97 0.00 2.20 2.52 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 0.00 0.00 0.00 0.00 37 F 7.77 3.61 0.00 3.08 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 38 A 7.99 4.43 1.29 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 0.00 0.00 39 T 7.41 4.61 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 1.15 0.00 0.00 40 S 7.77 4.35 0.00 3.53 3.24 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 41 G 7.88 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.82 3.79 0.00 1.96 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 2.32 2.32 0.00 43 L 8.18 4.40 0.00 1.61 1.62 0.88 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.60 4.16 4.30 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 1.27 0.00 0.00 45 Y 8.82 4.32 0.00 3.14 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 46 E 8.44 3.82 0.00 2.19 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 2.33 2.38 0.00 47 V 7.85 3.77 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 0.97 0.00 0.00 1.14 0.00 0.00 48 W 8.27 4.35 0.00 3.60 3.26 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 49 I 7.73 3.78 1.49 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.11 0.79 0.00 0.00 50 G 7.84 3.56 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 0.00 0.00 0.00 51 F 8.01 4.12 0.00 2.58 2.52 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 0.00 0.00 0.00 0.00 52 F 7.38 3.99 0.00 2.63 2.79 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 53 A 7.21 4.26 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 6.99 4.06 0.00 3.81 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.65 3.99 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 56 F 7.94 3.91 0.00 3.08 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 57 T 7.72 3.73 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 0.15 0.00 0.00 58 K 7.88 3.82 0.00 1.87 1.76 0.00 1.61 0.00 0.00 1.52 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.51 7.81 59 V 7.55 3.43 1.83 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 0.87 0.00 0.00 0.89 0.00 0.00 60 F 7.78 4.19 0.00 2.69 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 61 T 8.14 3.60 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 1.28 0.00 0.00 62 L 7.86 3.88 0.00 1.66 1.54 0.12 -0.49 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 63 L 8.37 4.04 0.00 1.75 1.93 0.88 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 64 A 7.79 3.88 0.50 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 0.00 0.00 0.00 65 L 7.79 3.98 0.00 1.80 1.64 0.87 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 66 F 8.32 4.11 0.00 3.27 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 67 S 8.26 4.25 0.00 4.08 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 68 I 8.29 3.80 2.09 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 1.46 1.07 1.05 0.00 0.00 69 L 8.02 4.02 0.00 1.76 1.92 0.87 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 70 I 7.79 3.83 1.95 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 1.52 0.77 0.95 0.00 0.00 71 M 8.52 3.97 0.00 2.24 2.11 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 2.66 2.66 0.00 72 A 8.72 4.09 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 W 8.41 4.63 0.00 3.43 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 74 I 7.82 3.42 1.83 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 1.24 1.38 0.84 0.00 0.00 75 G 8.22 3.61 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 0.00 76 M 8.68 4.19 0.00 2.15 2.42 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 2.76 2.97 0.00 77 W 8.03 3.85 0.00 2.19 2.86 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 0.00 0.00 0.00 78 Q 7.71 3.77 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.73 0.00 0.00 0.00 0.00 0.00 2.60 2.66 0.00 79 V 7.49 3.51 2.23 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 1.21 0.00 0.00 1.04 0.00 0.00 80 L 7.86 3.98 0.00 1.55 1.61 1.04 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 81 T 7.26 3.73 3.68 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 -0.02 0.00 0.00 82 D 7.08 4.26 0.00 2.15 1.56 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 83 Y 7.41 4.64 0.00 2.94 2.86 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 0.00 0.00 0.00 84 V 7.82 4.19 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 0.80 0.00 0.00 0.98 0.00 0.00 85 K 8.56 4.05 0.00 1.78 1.83 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.39 7.81 86 P 0.00 4.19 0.00 2.16 2.02 0.00 3.61 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 2.12 2.17 0.00 87 L 8.67 3.87 0.00 1.76 1.68 0.95 1.02 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 88 A 8.05 3.99 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 89 L 7.89 3.92 0.00 1.78 1.84 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 90 R 8.05 3.92 0.00 2.07 2.01 0.00 3.00 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 91 L 8.23 4.09 0.00 1.76 1.75 0.97 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 92 M 8.09 4.11 0.00 2.07 2.25 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.95 0.00 93 L 8.00 4.10 0.00 1.93 1.78 0.95 0.94 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 94 Q 8.55 4.32 0.00 2.45 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.82 0.00 0.00 0.00 0.00 0.00 2.84 2.76 0.00 95 L 7.97 3.81 0.00 1.88 1.85 0.86 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 96 V 7.73 3.52 2.21 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 0.96 0.00 0.00 0.95 0.00 0.00 97 I 7.74 3.64 2.01 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.67 1.09 0.00 0.00 98 V 7.65 3.13 1.74 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 0.66 0.00 0.00 -0.52 0.00 0.00 99 V 7.76 3.41 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 0.93 0.00 0.00 0.92 0.00 0.00 100 A 7.91 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 7.66 3.44 0.00 1.70 1.64 1.10 0.69 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 0.00 102 V 7.84 3.50 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 0.93 0.00 0.00 0.84 0.00 0.00 103 V 8.00 3.62 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 0.88 0.00 0.00 0.93 0.00 0.00 104 Y 8.03 4.44 0.00 3.18 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 0.00 105 V 7.62 3.55 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 0.46 0.00 0.00 0.68 0.00 0.00 106 I 7.90 3.79 1.94 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 1.37 0.77 0.95 0.00 0.00 107 Y 8.85 4.31 0.00 3.11 3.25 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 0.00 108 G 8.37 3.56 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 0.00 0.00 0.00 109 F 8.18 3.90 0.00 3.36 3.09 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 0.00 110 V 7.60 3.61 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 0.74 0.00 0.00 0.97 0.00 0.00 111 V 7.36 3.53 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 0.73 0.00 0.00 0.18 0.00 0.00 112 V 7.78 3.86 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 0.75 0.00 0.00 0.86 0.00 0.00 *113 W 8.17 4.15 0.00 2.60 2.21 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 0.00 114 G 7.46 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 0.00 0.00 0.00 0.00 115 V 7.49 3.97 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 0.81 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.