NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3835 8.3144 120.1372 56.4827 33.5632 175.4051 3 N 4.6344 9.3988 123.9903 51.4508 39.0546 169.8858 4 I 4.5563 8.6451 124.6330 60.0565 38.7734 174.4729 5 K 4.6962 8.7254 125.3881 55.0746 37.4170 175.1670 6 I 5.5872 8.7697 122.9467 58.7490 41.0655 174.3289 *8 R 4.2563 8.2781 121.7227 56.7200 31.2786 175.6894 9 L 4.8417 8.6291 127.1762 53.9471 42.9492 178.6681 10 V 3.7475 8.3172 120.0939 64.4564 31.5689 177.4906 11 T 4.0975 7.8313 108.7983 62.1711 68.9859 174.6433 12 G 4.0595 7.8673 110.6459 45.6267 0.0000 174.2003 13 E 4.2858 8.0103 118.3085 56.3448 31.3438 175.4623 14 D 5.0501 8.5391 120.8762 52.8160 43.4129 175.3686 15 I 4.7549 8.0945 123.9939 59.3317 40.5231 174.3929 16 I 4.8457 8.5938 125.7139 59.3785 41.2938 174.5096 17 G 4.8117 7.9525 114.2723 45.6523 0.0000 171.4909 18 N 5.0911 8.6902 119.3707 53.2769 39.6435 173.7179 19 I 5.1001 8.7293 128.2088 59.5264 39.7329 175.5354 20 S 4.6168 8.9124 120.0451 56.7746 66.4476 172.9576 21 E 4.8508 8.9706 123.0699 54.7496 29.7703 174.6023 22 S 4.7415 8.4695 118.3256 57.1502 65.5162 174.6904 23 Q 3.2504 8.4547 124.3723 57.6330 26.9888 174.7091 24 G 4.1739 8.4365 108.7109 46.7165 0.0000 172.2267 25 L 5.0359 7.9057 118.7153 52.5329 45.9646 175.6618 26 I 4.8148 8.7606 123.1509 60.0295 39.7629 174.6030 27 T 4.9858 8.9431 124.3624 62.0151 70.7382 173.5589 28 I 5.0483 9.1307 127.4968 59.4774 40.1045 174.7075 29 K 5.0886 9.1717 128.7309 54.8460 34.7587 176.7520 30 K 4.0145 8.4427 123.0910 55.5615 28.8734 173.4720 31 A 5.0034 7.4728 123.1254 51.2412 21.1302 177.7455 32 F 5.2382 9.5630 121.1848 55.5038 43.2060 174.6444 33 V 4.2972 9.1304 123.1967 62.6427 32.9510 175.1733 34 I 4.5648 8.5654 129.4502 60.4328 37.5170 175.1134 35 I 4.3958 8.8854 130.1876 59.3083 38.6414 174.5913 36 P 4.7276 0.0000 0.0000 61.1541 33.8673 176.2233 *38 Q 4.2183 8.6285 121.6372 56.1510 29.6120 178.1395 *42 G 3.7373 8.9329 99.8899 45.7018 0.0000 171.7158 43 K 4.7983 7.5200 123.4833 52.1498 35.9983 174.7707 44 P 4.3433 0.0000 0.0000 65.0028 31.6492 176.2539 45 V 4.1389 8.1322 114.1485 59.8582 32.4379 175.3998 46 Q 4.3536 8.5152 126.7467 54.7576 29.7318 174.6423 47 L 4.5785 8.3663 125.6652 54.1628 43.1176 176.2619 48 V 4.4246 9.0912 123.3547 61.0491 34.4447 174.0206 49 L 5.0982 8.5355 127.7947 53.7599 42.7836 175.9013 50 S 5.0097 8.9878 118.2472 55.4702 66.2091 171.3137 51 P 3.8074 0.0000 0.0000 62.9773 31.0506 176.2131 52 W 4.3172 8.9167 135.0000 60.7429 31.2282 177.0844 53 Q 4.0798 7.7700 119.7320 52.1250 27.7754 174.7962 54 P 4.3508 0.0000 0.0000 64.2498 32.0084 177.4301 55 Y 4.7303 7.3391 115.5928 58.3287 37.8737 174.6468 56 T 4.6208 7.4689 115.5811 61.4740 70.4261 173.7082 57 D 4.7556 8.4601 123.4178 52.8926 40.6059 177.5056 58 D 4.4934 7.5355 120.5040 56.3243 41.4387 177.5856 59 K 4.2206 8.7674 124.5315 56.4557 32.3876 174.6426 60 E 5.1864 7.9705 117.3305 54.4898 31.9806 175.9434 61 I 4.6608 8.7631 123.7681 59.4893 41.1032 174.3725 62 V 5.0259 8.5663 126.2843 61.1132 33.3409 174.6815 63 I 4.7907 8.6438 120.7553 58.8329 41.0663 174.6263 64 D 4.7582 8.6832 123.9966 54.0085 42.1493 176.8888 65 D 4.5229 8.4716 125.1756 55.7117 39.6799 178.6702 66 S 4.1758 7.8236 114.1749 60.7436 63.1945 175.0648 67 K 4.3652 8.1539 119.8137 56.0238 31.9753 175.7216 68 V 4.7274 7.4210 119.1315 61.1500 33.5202 175.4502 69 I 4.0471 8.8421 129.2193 63.7309 37.4694 176.2975 70 T 4.7954 7.4730 107.2178 59.8908 71.9185 173.1826 71 I 4.7661 8.2683 123.2034 59.9057 40.1280 174.7793 72 T 4.7469 8.6198 120.6966 60.5300 71.3039 172.5640 73 S 4.8485 8.5267 122.6841 56.2460 64.3808 172.4402 74 P 4.4240 0.0000 0.0000 61.8964 32.1529 176.3142 75 K 4.0870 8.4649 121.3598 57.0619 32.9479 178.5255 76 D 4.4150 8.8246 124.1386 58.6135 39.5142 179.1727 77 D 4.5950 8.1591 120.0237 56.8979 39.1388 179.0074 78 I 3.9188 7.7052 122.4779 63.1723 37.0801 178.5322 79 I 3.8268 7.8160 122.8818 64.7049 36.9299 178.9363 80 K 3.9857 8.1180 124.8562 59.9266 31.6700 181.1981 81 S 4.3678 7.8512 117.0339 60.7107 62.9321 175.8668 82 Y 3.9540 8.2789 125.5996 61.0085 38.5993 178.5822 83 E 4.1672 8.9656 119.7343 61.2586 29.9798 181.0188 84 S 4.4023 8.3412 115.2363 60.8365 62.9269 175.6014 85 H 4.3184 7.8601 118.8092 57.2334 28.6150 175.6461 86 T 4.5565 7.1499 106.5731 60.7030 70.0163 173.1193 87 S 4.5743 8.0409 115.3521 57.4996 66.2262 172.6071 88 E 4.5942 8.5185 119.8039 54.5227 30.8869 175.6241 89 I 4.5434 7.9460 115.4998 58.7634 40.6604 175.5652 90 I 3.9717 8.1291 119.7549 61.6934 37.0693 176.1609 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 K 8.31 4.38 0.00 1.79 1.86 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.48 7.81 3 N 9.40 4.63 0.00 2.80 2.84 0.00 0.00 6.83 7.06 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 4 I 8.65 4.56 1.68 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.80 0.21 0.00 0.00 5 K 8.73 4.70 0.00 1.55 1.66 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.28 1.49 7.81 6 I 8.77 5.59 1.90 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 1.01 0.26 0.85 0.00 0.00 *8 R 8.28 4.26 0.00 1.92 1.83 0.00 3.20 0.00 0.00 3.55 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 9 L 8.63 4.84 0.00 1.63 1.59 0.80 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.32 3.75 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 0.73 0.00 0.00 0.94 0.00 0.00 11 T 7.83 4.10 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 12 G 7.87 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 E 8.01 4.29 0.00 1.90 1.87 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 2.47 2.39 0.00 14 D 8.54 5.05 0.00 2.54 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.09 4.75 1.41 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 -0.36 0.40 0.00 0.00 16 I 8.59 4.85 1.84 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 1.42 1.21 0.00 0.00 17 G 7.95 4.81 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 0.00 0.00 0.00 18 N 8.69 5.09 0.00 2.93 2.79 0.00 0.00 7.49 7.77 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 19 I 8.73 5.10 1.84 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 1.42 0.98 0.89 0.00 0.00 20 S 8.91 4.62 0.00 3.86 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 21 E 8.97 4.85 0.00 1.84 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 2.21 2.26 0.00 22 S 8.47 4.74 0.00 3.85 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 23 Q 8.45 3.25 0.00 2.20 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.35 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 24 G 8.44 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 0.00 0.00 0.00 25 L 7.91 5.04 0.00 1.73 1.54 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 26 I 8.76 4.81 1.89 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 1.22 0.69 0.91 0.00 0.00 27 T 8.94 4.99 4.27 0.00 0.00 0.00 0.00 0.00 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 28 I 9.13 5.05 2.02 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 1.25 0.98 0.93 0.00 0.00 29 K 9.17 5.09 0.00 1.84 1.76 0.00 1.94 0.00 0.00 1.78 0.00 0.00 2.82 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.36 1.07 7.81 30 K 8.44 4.01 0.00 1.88 1.67 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.27 0.98 7.81 31 A 7.47 5.00 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 32 F 9.56 5.24 0.00 3.09 2.97 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 33 V 9.13 4.30 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 0.97 0.00 0.00 1.18 0.00 0.00 34 I 8.57 4.56 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 1.25 0.73 0.92 0.00 0.00 35 I 8.89 4.40 1.90 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 1.31 0.94 0.93 0.00 0.00 36 P 0.00 4.73 0.00 2.07 2.08 0.00 3.81 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 *38 Q 8.63 4.22 0.00 2.16 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.10 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 *42 G 8.93 3.74 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 0.00 0.00 0.00 43 K 7.52 4.80 0.00 1.74 1.59 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.24 0.98 7.81 44 P 0.00 4.34 0.00 2.03 2.04 0.00 3.63 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 45 V 8.13 4.14 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 0.69 0.00 0.00 0.93 0.00 0.00 46 Q 8.52 4.35 0.00 2.27 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.88 0.00 0.00 0.00 0.00 0.00 2.29 1.94 0.00 47 L 8.37 4.58 0.00 1.58 1.58 0.92 0.88 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 48 V 9.09 4.42 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 0.95 0.00 0.00 49 L 8.54 5.10 0.00 1.08 1.27 0.81 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 50 S 8.99 5.01 0.00 3.95 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 51 P 0.00 3.81 0.00 1.83 1.68 0.00 3.78 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 52 W 8.92 4.32 0.00 3.11 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 53 Q 7.77 4.08 0.00 2.07 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.86 0.00 0.00 0.00 0.00 0.00 2.16 1.87 0.00 54 P 0.00 4.35 0.00 2.04 2.05 0.00 3.07 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.61 0.00 55 Y 7.34 4.73 0.00 2.90 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 56 T 7.47 4.62 4.20 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 1.14 0.00 0.00 57 D 8.46 4.76 0.00 2.73 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 0.00 0.00 0.00 0.00 58 D 7.54 4.49 0.00 2.67 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 59 K 8.77 4.22 0.00 1.68 1.80 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.84 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.43 1.02 7.81 60 E 7.97 5.19 0.00 2.10 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 0.00 2.21 1.87 0.00 61 I 8.76 4.66 2.10 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 1.06 0.77 1.04 0.00 0.00 62 V 8.57 5.03 2.11 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 0.85 0.00 0.00 0.96 0.00 0.00 63 I 8.64 4.79 1.96 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 1.22 1.18 0.00 0.00 64 D 8.68 4.76 0.00 2.80 2.59 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 65 D 8.47 4.52 0.00 2.82 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 66 S 7.82 4.18 0.00 4.00 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 67 K 8.15 4.37 0.00 1.87 1.90 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.56 7.81 68 V 7.42 4.73 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 0.82 0.00 0.00 0.90 0.00 0.00 69 I 8.84 4.05 1.85 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 1.35 0.66 0.90 0.00 0.00 70 T 7.47 4.80 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 1.19 0.00 0.00 71 I 8.27 4.77 1.84 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 1.18 0.64 0.86 0.00 0.00 72 T 8.62 4.75 4.20 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 1.24 0.00 0.00 73 S 8.53 4.85 0.00 3.97 3.81 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 74 P 0.00 4.42 0.00 2.14 2.01 0.00 3.69 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.83 0.00 75 K 8.46 4.09 0.00 1.82 1.76 0.00 1.67 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.42 7.81 76 D 8.82 4.42 0.00 2.68 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 77 D 8.16 4.60 0.00 2.98 2.97 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 78 I 7.71 3.92 1.98 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 1.53 1.30 0.91 0.00 0.00 79 I 7.82 3.83 1.87 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 1.45 0.80 0.88 0.00 0.00 80 K 8.12 3.99 0.00 1.78 1.82 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.33 7.81 81 S 7.85 4.37 0.00 4.03 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 82 Y 8.28 3.95 0.00 3.19 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 83 E 8.97 4.17 0.00 1.96 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 2.24 2.19 0.00 84 S 8.34 4.40 0.00 3.97 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 85 H 7.86 4.32 0.00 2.99 2.61 0.00 5.79 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 T 7.15 4.56 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 0.88 0.00 0.00 87 S 8.04 4.57 0.00 3.96 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 88 E 8.52 4.59 0.00 1.94 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 2.22 2.31 0.00 89 I 7.95 4.54 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 1.40 0.52 0.90 0.00 0.00 90 I 8.13 3.97 1.87 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 1.28 0.43 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.