NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2374 8.5298 119.6740 55.2766 33.2359 174.8798 2 N 4.7142 7.5112 122.4940 49.2657 42.0542 173.4119 3 I 3.6835 9.1631 120.9108 64.2371 38.1959 178.8636 4 F 3.7843 8.2405 117.9834 60.6614 38.8659 177.4092 5 E 4.0171 8.6210 118.1950 59.4264 29.0554 179.0900 6 M 3.6869 8.2762 118.7002 58.5897 32.1905 178.3415 7 L 3.9561 8.3113 119.5001 57.4261 41.7582 179.2647 8 R 3.6735 8.3427 119.0585 59.2849 29.7070 178.7439 9 I 3.7078 7.4158 118.2931 64.6520 37.2915 177.9279 10 D 4.5605 7.8439 118.3768 56.8066 40.9481 177.8070 11 E 4.4889 8.6661 118.4173 55.9979 30.5946 177.2637 12 G 4.0620 8.3511 107.7148 44.3361 0.0000 171.3690 13 L 4.8248 8.0656 119.0360 53.2751 44.7958 176.0417 14 R 4.5941 8.5752 124.4501 54.7449 33.9579 175.5325 15 L 4.5265 8.8188 122.8926 54.8714 42.9796 175.9162 16 K 5.1313 7.7863 120.1350 54.0511 34.8577 175.4306 17 I 4.1633 8.1702 127.8811 62.1011 38.3957 174.1474 18 Y 4.7636 8.5351 120.7989 56.6396 41.5616 173.0929 19 K 4.6957 8.6906 119.2422 54.9286 34.5372 176.1510 20 D 5.0086 8.5108 123.3737 52.0165 41.7618 177.0992 21 T 3.9628 8.7225 112.6982 64.3014 67.1593 173.6742 22 E 4.1346 8.5097 118.8820 56.2450 30.0643 176.7049 23 G 3.8289 8.2188 108.4313 44.9312 0.0000 173.6521 24 Y 4.7355 6.9601 117.7003 57.5079 39.7185 174.6270 25 Y 4.2160 8.5315 120.2917 58.8041 39.1432 175.5930 26 T 4.9585 8.8367 119.7576 62.5806 74.0529 172.1042 27 I 4.5358 9.0690 121.9132 59.8847 42.2262 176.9727 28 G 3.9828 8.9756 115.4208 47.3329 0.0000 176.8767 29 I 4.5433 7.8804 119.8374 59.1500 35.1958 174.9647 30 G 4.4536 8.0647 106.3811 46.4854 0.0000 171.4334 31 H 4.4566 8.6679 121.4737 54.3415 29.0652 174.1991 32 L 4.2346 8.0834 129.7744 55.2410 42.1676 176.5821 33 L 4.2767 8.5863 127.3436 57.2876 42.9851 177.4608 34 T 4.2990 7.2353 106.0459 61.5904 68.8657 175.5799 *41 A 4.1204 8.3559 121.8707 51.1079 20.7658 176.6970 42 A 3.1917 8.0130 121.6937 55.4924 18.3974 180.3593 43 K 3.9829 7.7312 115.4395 58.8110 32.2760 179.4474 44 S 4.0766 7.8325 113.1785 60.8397 62.2879 175.5652 44A A 3.9497 7.5378 123.0609 54.5212 18.3578 179.3936 44B A 3.9500 7.9343 119.1279 54.8115 18.4542 179.8883 44C A 3.8503 7.8416 119.6675 55.3776 18.4651 179.3695 45 E 3.8757 8.2207 117.3514 59.6905 29.6300 179.4158 46 L 3.9582 8.2224 120.3443 58.5211 42.0498 178.8760 47 D 4.8322 7.9744 119.9838 56.6041 40.4636 178.7178 48 K 3.9291 7.8388 119.1815 59.4409 32.3068 178.5599 49 A 4.1340 8.2057 120.3139 54.5562 18.3638 178.8010 50 I 4.1829 7.7100 116.5559 60.4003 38.3055 175.8254 51 G 3.8168 9.0285 107.9019 45.8299 0.0000 173.1500 52 R 4.3337 7.2638 112.6356 54.8264 31.8497 173.4618 53 N 4.6212 8.6329 117.9354 53.4219 38.0479 174.4714 54 T 4.0857 10.7500 117.6033 62.5266 69.5833 175.3357 55 N 3.8470 8.4832 118.0098 54.5575 36.8714 174.2982 56 G 4.0152 8.5044 101.6613 45.5765 0.0000 173.5806 57 V 5.1049 7.4943 117.1502 61.0776 34.7186 174.0926 58 I 4.9996 8.4110 119.7036 59.1361 41.3757 174.6172 59 T 4.2985 8.8188 113.5842 60.8185 70.3198 175.7627 60 K 4.0538 8.6436 121.4451 59.5061 32.1282 178.3359 61 D 4.3973 8.0211 118.9875 57.4134 40.8306 178.3732 62 E 4.0599 8.3146 118.8942 59.1677 29.4804 179.1720 63 A 4.1427 8.2287 120.8714 54.9748 18.4869 179.4726 64 E 4.2559 8.4032 117.3856 59.0655 29.5106 179.4013 65 K 4.0089 8.0368 120.0876 59.4424 32.3012 178.7373 66 L 3.9920 7.9849 119.3614 57.8083 41.5408 179.2445 67 F 4.7021 8.2531 119.9898 61.6271 39.2835 176.8033 68 N 4.4360 8.2656 115.7209 56.5964 38.3220 177.2980 69 Q 4.0350 8.2640 119.2113 59.2380 28.9569 178.7713 70 D 4.3974 8.9040 120.1146 57.4114 40.8602 179.1871 71 V 3.6521 8.4162 119.1368 65.8787 31.4359 177.4368 72 D 4.3111 8.3859 117.8430 57.5095 40.9898 178.0950 73 A 3.9590 8.3404 121.1035 55.1196 18.2479 179.5686 74 A 3.9078 7.9797 118.9153 55.2338 18.4471 180.0076 75 V 3.3876 7.7317 116.7731 66.2383 31.7204 178.3099 76 R 3.9489 8.1999 118.0327 59.3680 29.6763 179.3319 77 G 3.5959 8.1492 104.7643 47.6164 0.0000 175.6340 78 I 3.8096 7.7605 122.1422 64.3175 36.9555 178.6167 79 L 3.9261 7.7419 118.2462 57.1650 41.4600 178.8840 80 R 4.2830 7.6262 115.5640 55.4324 30.9042 175.6333 81 N 4.7034 7.6074 118.9480 51.9682 40.1515 175.5104 82 A 3.9933 8.7003 127.5570 55.1426 18.6827 179.3442 83 K 4.1910 8.2858 114.8599 57.9488 32.6779 178.7752 84 L 4.3183 7.7795 119.1087 56.6950 42.1214 178.2371 85 K 3.8228 8.2422 120.0433 59.5009 31.8408 176.9359 86 P 4.3782 0.0000 0.0000 65.3517 31.4007 178.6350 87 V 3.7579 7.6687 116.6908 66.1090 31.5606 176.9676 88 Y 4.1026 8.5008 119.6885 61.2403 38.4102 177.8837 89 D 4.4875 8.5965 118.7291 57.5704 41.0515 178.7928 90 S 4.3241 7.8778 112.6740 59.2557 63.4319 174.2628 91 L 4.6185 7.1480 123.0202 53.1889 43.3514 176.3946 92 D 4.5572 8.2152 120.7042 52.9785 41.3576 177.2172 93 A 3.9114 8.2648 121.3643 54.9239 18.6274 179.9486 94 V 3.0305 7.5025 116.4776 66.1538 31.8190 178.3955 95 R 3.6207 7.7878 117.5925 59.0098 29.6728 179.2471 96 R 3.7546 7.6612 117.4904 58.9736 29.8979 178.7302 97 A 3.9636 7.6535 120.0421 55.1850 18.4550 179.3889 98 A 3.5685 7.4425 118.6498 55.1238 18.1095 179.5226 99 L 4.1635 7.7794 118.4329 58.4712 42.2764 179.1090 100 I 3.7445 8.1289 120.0559 64.3032 37.0084 177.8712 101 N 4.2841 8.2815 117.9367 56.9869 38.8177 176.7192 102 M 3.9738 7.9339 119.8658 58.5569 32.0490 178.9620 103 V 3.5678 8.1040 118.5415 65.9779 31.4151 177.8022 104 F 4.0969 8.1873 119.6766 61.0645 39.2698 176.7823 105 Q 4.3113 8.2691 118.7270 58.9320 29.1945 177.0184 106 M 4.4779 8.4444 114.5736 53.6806 32.2895 175.4140 107 G 4.1174 7.8793 109.0994 45.9387 0.0000 174.5614 108 E 3.8877 8.7257 121.3886 59.5327 29.4127 179.5435 109 T 3.9627 7.8576 113.9053 66.7107 68.6067 176.4589 110 G 3.7938 8.0433 107.1394 47.7299 0.0000 175.8125 111 V 3.4577 8.0625 120.4207 65.6210 31.3410 177.8494 112 A 4.2329 8.1771 119.7188 54.5224 18.2383 178.8295 113 G 3.8541 7.7109 101.9274 45.2831 0.0000 174.2587 114 F 4.4224 8.6859 121.8102 56.9722 38.9429 177.4644 115 T 3.8976 7.9244 117.9819 67.3713 68.7145 175.6010 116 N 4.4006 8.0688 117.3567 56.3496 38.5978 177.6721 117 S 4.1717 8.0430 116.2047 61.4583 63.0105 176.4450 118 L 3.9451 8.6208 122.1453 57.7665 41.3439 179.6182 119 R 3.8795 7.9069 118.2362 59.6349 30.1745 178.4847 120 M 3.9996 7.9548 118.3920 58.2585 31.9233 178.6507 121 L 3.9972 8.2220 119.5698 57.8934 41.5400 179.5364 122 Q 4.0386 7.6876 117.0194 59.0104 28.7847 178.2798 123 Q 4.0846 7.7465 115.3927 55.4491 28.7175 176.2855 124 K 2.0000 7.0962 118.0720 57.0737 30.7305 177.7405 125 R 3.9893 6.7962 118.2705 54.1797 26.5387 176.1934 126 W 4.7382 7.0382 123.4986 60.4877 29.8323 177.6423 127 D 4.4874 8.2715 117.6243 57.8348 40.3636 178.9407 128 E 4.0305 8.1650 118.1516 59.2041 29.5265 179.0442 129 A 4.0449 8.2290 120.7683 54.7052 18.0519 179.5323 130 A 4.0198 8.0400 119.5183 55.4345 18.2862 180.0241 131 V 3.5070 7.4322 114.9572 66.1979 31.7880 177.4620 132 N 4.4598 8.1520 116.8408 56.6640 38.5750 176.8956 133 L 4.3222 8.3522 119.7910 57.5806 41.7878 178.9455 134 A 3.5710 7.5515 119.5321 53.4854 19.5548 178.2887 135 K 4.3423 7.4102 119.6718 54.8954 30.8239 176.4125 136 S 4.7687 7.4021 115.1550 55.7119 67.9615 175.0017 137 R 3.9701 8.7075 122.2895 59.2405 29.9122 178.0670 138 W 4.6581 8.6683 127.9043 61.2854 30.6997 177.1033 139 Y 3.7231 8.4989 118.9806 60.7554 38.0110 177.8046 140 N 4.3610 8.0640 116.3648 55.8088 38.6874 177.0553 141 Q 4.2837 8.2167 119.5374 57.3282 30.7127 176.4797 142 T 4.5655 7.7093 109.1024 58.2906 68.6416 172.3788 143 P 3.9202 0.0000 0.0000 65.9964 31.6612 178.4379 144 N 4.1662 7.7952 115.7795 55.8277 38.5407 177.2598 145 R 3.8083 7.7638 119.3578 59.3623 30.2978 178.1173 146 A 3.4049 7.6985 120.5283 55.0241 18.1803 179.8143 147 K 4.0979 8.1652 117.1988 59.4675 32.0655 179.8912 148 R 3.7710 7.7451 118.1339 59.1017 29.9508 179.2599 149 V 3.7330 7.9681 117.9777 66.2490 31.6445 178.1275 150 I 4.1108 8.4251 120.0082 64.8604 36.8459 178.5757 151 T 3.9520 8.4231 116.9860 66.9553 68.2456 176.7962 152 T 3.8840 8.0472 117.6845 66.6539 68.1889 176.5878 153 F 4.2822 7.8545 118.6938 59.9346 39.0161 177.6347 154 R 4.1866 7.9240 118.4062 59.0462 30.0504 177.6969 155 T 4.2395 8.0062 107.8335 60.9722 69.7970 176.0117 156 G 3.4832 7.7873 108.2248 45.4588 0.0000 172.6196 157 T 4.3640 7.3234 108.9702 59.6563 71.5673 173.7476 158 W 5.0329 8.2769 117.7196 56.7450 29.7886 178.4001 159 D 4.4377 8.2767 122.0403 57.6400 40.3281 179.0384 160 A 4.0581 8.1324 119.9127 54.3496 18.5067 177.3078 161 Y 4.4716 8.0064 111.5394 57.5361 38.5766 176.0815 162 K 4.2392 7.8549 125.2733 56.5270 32.5550 175.8627 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 1 M 8.53 4.24 0.00 0.51 1.46 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.52 0.00 2 N 7.51 4.71 0.00 3.07 2.78 0.00 0.00 5.87 7.26 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 3 I 9.16 3.68 1.89 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.99 0.83 0.00 0.00 4 F 8.24 3.78 0.00 3.33 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 5 E 8.62 4.02 0.00 1.96 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 2.30 2.29 0.00 6 M 8.28 3.69 0.00 1.95 1.76 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 2.11 0.00 7 L 8.31 3.96 0.00 1.80 1.40 0.27 0.32 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 8 R 8.34 3.67 0.00 2.06 2.18 0.00 3.03 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 9 I 7.42 3.71 2.18 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.69 1.04 0.00 0.00 10 D 7.84 4.56 0.00 2.68 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 11 E 8.67 4.49 0.00 1.95 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 2.36 2.47 0.00 12 G 8.35 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 0.00 0.00 0.00 13 L 8.07 4.82 0.00 1.48 1.47 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.58 4.59 0.00 1.81 1.67 0.00 2.80 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.16 0.00 15 L 8.82 4.53 0.00 1.63 1.92 0.94 0.61 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 16 K 7.79 5.13 0.00 1.75 1.69 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.12 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.36 1.58 7.81 17 I 8.17 4.16 2.01 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 1.36 0.71 1.22 0.00 0.00 18 Y 8.54 4.76 0.00 2.98 3.12 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 19 K 8.69 4.70 0.00 1.54 1.62 0.00 1.53 0.00 0.00 1.41 0.00 0.00 2.65 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.49 1.15 7.81 20 D 8.51 5.01 0.00 2.82 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 21 T 8.72 3.96 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 1.23 0.00 0.00 22 E 8.51 4.13 0.00 1.16 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 2.15 2.32 0.00 23 G 8.22 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 0.00 0.00 0.00 24 Y 6.96 4.74 0.00 2.98 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 25 Y 8.53 4.22 0.00 3.08 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 26 T 8.84 4.96 3.11 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 1.03 0.00 0.00 27 I 9.07 4.54 1.88 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 1.28 1.12 0.99 0.00 0.00 28 G 8.98 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 29 I 7.88 4.54 1.25 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.40 0.15 0.00 0.00 30 G 8.06 4.45 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 0.00 31 H 8.67 4.46 0.00 3.25 3.47 0.00 5.79 0.00 0.00 0.00 0.00 6.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.08 4.23 0.00 1.55 1.44 0.99 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.59 4.28 0.00 1.86 1.70 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.24 4.30 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 *41 A 8.36 4.12 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.01 3.19 1.20 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 0.00 0.00 43 K 7.73 3.98 0.00 1.72 1.81 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.40 7.81 44 S 7.83 4.08 0.00 3.82 3.86 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 44A A 7.54 3.95 1.09 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 44B A 7.93 3.95 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 44C A 7.84 3.85 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 45 E 8.22 3.88 0.00 2.10 2.02 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 2.52 2.44 0.00 46 L 8.22 3.96 0.00 1.75 1.90 0.96 1.19 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 47 D 7.97 4.83 0.00 2.87 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 48 K 7.84 3.93 0.00 1.78 2.06 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.45 7.81 49 A 8.21 4.13 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 50 I 7.71 4.18 1.95 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 1.63 0.93 0.93 0.00 0.00 51 G 9.03 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 0.00 0.00 0.00 52 R 7.26 4.33 0.00 1.95 2.00 0.00 2.97 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 53 N 8.63 4.62 0.00 2.71 2.81 0.00 0.00 6.99 7.70 0.00 0.00 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 T 10.75 4.09 4.46 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 1.32 0.00 0.00 55 N 8.48 3.85 0.00 2.87 2.99 0.00 0.00 6.94 7.98 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 56 G 8.50 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 0.00 0.00 0.00 57 V 7.49 5.10 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 0.83 0.00 0.00 1.02 0.00 0.00 58 I 8.41 5.00 2.03 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 1.49 0.89 0.95 0.00 0.00 59 T 8.82 4.30 4.26 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 1.23 0.00 0.00 60 K 8.64 4.05 0.00 1.86 1.86 0.00 1.73 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.54 1.55 7.81 61 D 8.02 4.40 0.00 2.82 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 62 E 8.31 4.06 0.00 2.07 2.02 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 2.35 2.34 0.00 63 A 8.23 4.14 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 64 E 8.40 4.26 0.00 2.31 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 0.00 2.51 2.54 0.00 65 K 8.04 4.01 0.00 1.89 1.83 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.61 1.51 7.81 66 L 7.98 3.99 0.00 2.00 1.71 0.88 1.06 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 67 F 8.25 4.70 0.00 3.32 3.39 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 68 N 8.27 4.44 0.00 3.03 2.91 0.00 0.00 7.09 7.90 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 69 Q 8.26 4.03 0.00 2.34 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.56 0.00 70 D 8.90 4.40 0.00 3.17 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 71 V 8.42 3.65 1.66 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 0.51 0.00 0.00 0.19 0.00 0.00 72 D 8.39 4.31 0.00 2.97 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 73 A 8.34 3.96 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 74 A 7.98 3.91 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 75 V 7.73 3.39 2.05 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 1.00 0.00 0.00 0.99 0.00 0.00 76 R 8.20 3.95 0.00 2.03 1.95 0.00 3.17 0.00 0.00 3.17 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 77 G 8.15 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 I 7.76 3.81 1.80 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.82 0.54 0.00 0.00 79 L 7.74 3.93 0.00 1.63 1.66 0.84 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 80 R 7.63 4.28 0.00 1.78 1.95 0.00 3.13 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 81 N 7.61 4.70 0.00 3.03 2.77 0.00 0.00 6.96 7.94 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 82 A 8.70 3.99 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 83 K 8.29 4.19 0.00 1.74 1.89 0.00 1.59 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.52 7.81 84 L 7.78 4.32 0.00 1.82 1.72 0.91 0.87 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 85 K 8.24 3.82 0.00 1.96 1.87 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.55 7.81 86 P 0.00 4.38 0.00 2.09 2.12 0.00 3.69 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 87 V 7.67 3.76 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 1.09 0.00 0.00 0.99 0.00 0.00 88 Y 8.50 4.10 0.00 3.16 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 89 D 8.60 4.49 0.00 2.72 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 S 7.88 4.32 0.00 4.01 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 0.00 91 L 7.15 4.62 0.00 1.61 1.59 1.09 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.22 4.56 0.00 2.77 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 93 A 8.26 3.91 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 94 V 7.50 3.03 1.81 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 -0.12 0.00 0.00 0.38 0.00 0.00 95 R 7.79 3.62 0.00 1.76 2.01 0.00 2.79 0.00 0.00 2.85 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 96 R 7.66 3.75 0.00 1.82 1.72 0.00 2.77 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.30 0.00 97 A 7.65 3.96 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 98 A 7.44 3.57 0.07 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 99 L 7.78 4.16 0.00 2.12 2.03 1.05 1.16 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 0.00 100 I 8.13 3.74 2.03 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.10 0.91 0.00 0.00 101 N 8.28 4.28 0.00 2.87 3.03 0.00 0.00 7.19 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 0.00 102 M 7.93 3.97 0.00 1.75 2.16 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.03 0.00 103 V 8.10 3.57 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 1.00 0.00 0.00 0.93 0.00 0.00 104 F 8.19 4.10 0.00 3.23 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 0.00 105 Q 8.27 4.31 0.00 2.36 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.68 0.00 0.00 0.00 0.00 0.00 2.55 2.57 0.00 106 M 8.44 4.48 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 107 G 7.88 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 0.00 0.00 0.00 0.00 108 E 8.73 3.89 0.00 2.03 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 0.00 2.36 2.39 0.00 109 T 7.86 3.96 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 1.22 0.00 0.00 110 G 8.04 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 0.00 111 V 8.06 3.46 2.02 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 0.90 0.00 0.00 0.78 0.00 0.00 112 A 8.18 4.23 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 0.00 113 G 7.71 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 F 8.69 4.42 0.00 3.23 3.03 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 0.00 0.00 0.00 115 T 7.92 3.90 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 1.21 0.00 0.00 116 N 8.07 4.40 0.00 2.72 2.84 0.00 0.00 7.07 7.23 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 0.00 117 S 8.04 4.17 0.00 4.06 3.91 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 0.00 118 L 8.62 3.95 0.00 1.65 1.72 1.02 0.82 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 0.00 119 R 7.91 3.88 0.00 1.89 1.89 0.00 3.07 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 120 M 7.95 4.00 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.52 0.00 121 L 8.22 4.00 0.00 1.79 1.79 0.35 0.71 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 0.00 122 Q 7.69 4.04 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.03 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 123 Q 7.75 4.08 0.00 1.88 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.56 0.00 124 K 7.10 2.00 0.00 1.52 1.21 0.00 1.76 0.00 0.00 2.04 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.12 1.22 7.81 125 R 6.80 3.99 0.00 1.84 1.74 0.00 3.03 0.00 0.00 3.07 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.45 0.00 126 W 7.04 4.74 0.00 3.42 3.28 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 0.00 0.00 0.00 0.00 127 D 8.27 4.49 0.00 2.80 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 0.00 128 E 8.16 4.03 0.00 1.98 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 2.39 2.34 0.00 129 A 8.23 4.04 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 0.00 130 A 8.04 4.02 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 0.00 0.00 131 V 7.43 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 0.81 0.00 0.00 0.99 0.00 0.00 132 N 8.15 4.46 0.00 2.91 2.95 0.00 0.00 7.26 6.83 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 0.00 133 L 8.35 4.32 0.00 1.84 2.24 0.97 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 134 A 7.55 3.57 0.65 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 0.00 0.00 135 K 7.41 4.34 0.00 1.72 1.79 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.36 7.81 136 S 7.40 4.77 0.00 4.31 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 0.00 137 R 8.71 3.97 0.00 1.98 2.09 0.00 3.31 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.78 0.00 138 W 8.67 4.66 0.00 3.59 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 0.00 139 Y 8.50 3.72 0.00 2.96 3.16 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 0.00 140 N 8.06 4.36 0.00 2.74 2.89 0.00 0.00 7.08 8.01 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 0.00 141 Q 8.22 4.28 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.23 0.00 0.00 0.00 0.00 0.00 2.57 2.55 0.00 142 T 7.71 4.57 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 1.24 0.00 0.00 143 P 0.00 3.92 0.00 1.83 1.73 0.00 3.69 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.67 0.00 144 N 7.80 4.17 0.00 2.65 2.80 0.00 0.00 6.76 7.66 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 0.00 145 R 7.76 3.81 0.00 1.87 1.90 0.00 3.35 0.00 0.00 3.68 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.90 0.00 146 A 7.70 3.40 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 K 8.17 4.10 0.00 1.88 1.89 0.00 1.67 0.00 0.00 1.61 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.70 1.71 7.81 148 R 7.75 3.77 0.00 1.77 1.22 0.00 2.21 0.00 0.00 2.73 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.54 0.00 149 V 7.97 3.73 2.54 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 1.21 0.00 0.00 1.31 0.00 0.00 150 I 8.43 4.11 2.06 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 1.87 0.90 1.03 0.00 0.00 151 T 8.42 3.95 4.46 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 1.22 0.00 0.00 152 T 8.05 3.88 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 0.77 0.00 0.00 153 F 7.85 4.28 0.00 3.22 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 0.00 154 R 7.92 4.19 0.00 2.05 1.99 0.00 3.42 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.76 0.00 155 T 8.01 4.24 4.18 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 1.24 0.00 0.00 156 G 7.79 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 T 7.32 4.36 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 1.18 0.00 0.00 158 W 8.28 5.03 0.00 3.43 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 0.00 159 D 8.28 4.44 0.00 2.77 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 0.00 160 A 8.13 4.06 1.18 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 0.00 0.00 161 Y 8.01 4.47 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 0.00 162 K 7.85 4.24 0.00 1.81 1.70 0.00 1.76 0.00 0.00 1.82 0.00 0.00 3.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.59 7.81 * Residues marked with a * may have inaccurate shift predictions.