NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.2885 8.3149 121.7953 56.0770 34.4372 176.3485 5 T 4.2568 7.7612 115.5135 62.1506 70.8139 174.2009 6 F 4.2235 9.7474 126.7576 61.9180 39.3987 177.2603 7 E 4.1808 8.4543 117.5152 59.2562 29.1753 179.1324 8 E 4.0401 8.0578 118.3616 59.4773 29.8743 179.1171 9 L 4.0483 7.9219 118.9251 57.5568 41.6162 179.4461 10 F 4.1067 7.9977 120.4318 61.5907 38.9716 177.4637 11 T 3.7615 7.7257 114.7537 66.3443 68.0501 176.6451 12 E 3.9639 7.9341 120.6600 59.4008 28.9727 179.3495 13 L 3.9977 7.6011 118.5338 57.7363 41.3896 179.5453 14 Q 3.8261 7.4099 117.3380 58.9354 28.8364 178.0015 15 H 4.3411 7.8508 119.0011 59.0873 29.7870 177.3468 16 K 4.0332 7.7371 118.0325 58.1995 31.7319 178.0558 17 A 4.3665 7.4978 118.9945 52.2013 18.9485 178.4652 18 A 3.9221 7.7662 120.1418 53.9203 19.7638 177.5589 19 N 4.8822 6.8373 112.1828 53.6250 38.4436 175.9067 *24 T 4.3194 8.2108 123.0790 64.6134 70.2768 175.9308 25 S 4.2733 7.9840 115.5810 59.3222 63.5531 175.3967 26 R 4.1731 8.6127 119.6801 56.7388 30.7486 177.1277 27 T 4.2052 8.5041 117.0581 62.9284 70.5164 174.6215 28 A 3.9092 7.6250 127.6923 52.3478 17.6325 177.9187 29 E 4.6042 8.4698 125.2899 56.1006 28.7966 177.3120 30 L 4.0744 7.6596 121.4123 57.0629 42.1575 178.8075 31 V 3.5628 7.7949 117.4322 65.9326 31.3665 177.1129 32 D 4.4405 7.4779 116.6374 57.2965 41.2232 178.1512 33 K 4.1381 7.8575 117.4198 57.3899 32.4061 176.8350 34 G 3.8521 8.3307 104.5720 44.1991 0.0000 174.2868 35 V 3.5402 8.5266 116.6866 66.3831 31.3792 177.0257 36 H 3.9739 8.3756 117.0518 59.5405 29.2365 176.7862 37 A 4.0563 7.9891 121.7636 55.2108 18.2259 179.5492 38 I 3.9059 7.7452 118.5729 64.2750 37.2031 178.7778 39 G 3.6050 8.7059 107.0277 47.6742 0.0000 175.8158 40 K 3.9455 7.8683 120.2866 59.2659 32.0078 179.5992 41 K 3.9220 7.6497 117.3857 59.3249 31.9426 179.6026 42 V 3.5766 7.9419 118.6722 66.1028 31.5201 178.3323 43 V 3.6677 7.9080 118.2442 65.7447 31.3841 177.8311 44 E 4.1458 8.3692 117.6093 59.3971 29.6484 178.9653 45 E 4.0310 8.5869 119.6064 58.8481 29.5053 179.0187 46 A 4.0475 8.2348 120.7848 55.2835 18.2424 179.5968 47 A 4.1963 7.5413 116.6341 55.3923 18.5135 179.4413 48 E 4.1122 7.9779 116.3265 59.3383 29.7151 179.4131 49 V 3.8711 8.3850 118.8287 65.6863 31.7352 178.6505 50 W 4.5383 8.1883 124.2235 58.4336 30.2491 177.0356 *52 A 4.3096 7.9886 121.9100 51.7068 19.8943 179.6123 53 A 4.0254 8.3658 117.9531 55.1462 18.7643 178.5096 54 E 4.0795 8.2659 115.5177 58.6188 29.8742 176.8093 55 Y 4.5576 7.9273 112.7606 57.8557 39.5020 174.9895 56 E 4.6323 8.1448 119.0975 54.1273 32.2376 175.8821 57 G 3.9438 8.1852 106.5198 44.0457 0.0000 174.6284 58 K 3.9687 8.5331 119.2630 59.5606 31.9271 179.1705 59 D 4.3080 8.0910 117.4495 57.2741 41.3328 177.9092 60 A 3.9948 8.0357 120.6294 55.1980 18.4475 179.3362 61 A 4.0114 8.2147 119.0889 55.1203 18.4320 179.7736 62 A 3.9813 8.1506 119.5212 55.1461 18.5762 179.4642 63 E 3.9061 8.4049 117.9377 59.6141 29.8362 178.9801 64 E 4.0709 8.1929 118.4736 59.4898 29.4234 179.4444 65 I 3.8413 8.0512 120.2392 64.2825 37.1134 178.6326 66 S 4.2281 8.3420 115.3126 61.5773 62.8382 176.6511 67 Q 4.1251 8.1605 121.3733 58.4844 28.4036 178.4517 68 L 4.0395 7.9580 121.3355 58.1823 42.2097 178.9315 69 L 4.1131 8.2539 119.1390 57.9447 41.5155 178.7145 70 Y 4.1349 8.2609 119.4069 61.3932 38.5246 178.2565 71 H 3.8990 8.0063 115.2431 58.3933 28.7744 177.8301 72 V 3.7444 7.6867 119.7918 66.0530 31.4810 177.7037 73 Q 4.3045 8.2529 117.0499 58.2401 29.9569 178.6029 74 V 3.6567 7.4372 121.1328 63.0672 28.4622 175.9171 *77 V 3.9314 7.7316 122.0703 62.2624 33.3891 177.4702 78 A 4.0405 8.3494 121.3306 54.4818 18.2243 178.1548 79 R 4.3780 7.9608 112.0349 55.4764 30.7842 176.4602 80 G 3.9123 7.8103 105.4016 46.4096 0.0000 173.7462 81 I 4.1930 7.7762 119.8290 60.0743 38.5261 176.2335 82 S 4.9136 8.5700 119.6157 56.6724 66.5460 175.5035 83 L 3.3844 8.0631 121.7824 57.7483 41.2234 179.5619 84 D 4.5063 7.9317 118.4942 57.2746 40.5935 178.2403 85 D 4.3536 7.5699 118.6304 57.3741 41.1612 178.8591 86 V 3.7245 7.4502 118.0242 66.3454 31.4711 177.6160 87 Y 4.4914 8.2814 116.5945 61.2154 37.4168 178.5883 88 A 4.0227 8.0701 120.9502 55.4345 18.8369 178.9295 89 H 4.4612 8.2775 114.3773 58.1421 28.7873 177.2574 90 L 4.2779 7.5356 118.4787 55.9345 41.3619 177.1116 91 L 4.3085 7.6102 124.3501 54.7774 41.8889 176.1408 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 4 K 8.31 4.29 0.00 1.76 1.94 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.50 7.81 5 T 7.76 4.26 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 1.37 0.00 0.00 6 F 9.75 4.22 0.00 3.14 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 7 E 8.45 4.18 0.00 2.19 2.13 0.00 0.00 0.00 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 2.68 0.00 8 E 8.06 4.04 0.00 2.20 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 2.44 2.45 0.00 9 L 7.92 4.05 0.00 1.68 1.73 0.98 1.01 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 10 F 8.00 4.11 0.00 3.01 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 11 T 7.73 3.76 4.36 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 1.18 0.00 0.00 12 E 7.93 3.96 0.00 2.11 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 2.60 2.49 0.00 13 L 7.60 4.00 0.00 1.63 1.57 0.95 0.99 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 14 Q 7.41 3.83 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.98 0.00 0.00 0.00 0.00 0.00 1.84 1.64 0.00 15 H 7.85 4.34 0.00 3.13 3.41 0.00 5.59 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 16 K 7.74 4.03 0.00 1.71 1.83 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.64 7.81 17 A 7.50 4.37 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 18 A 7.77 3.92 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 19 N 6.84 4.88 0.00 2.44 1.94 0.00 0.00 6.95 7.42 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 *24 T 8.21 4.32 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 1.21 0.00 0.00 25 S 7.98 4.27 0.00 3.85 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 26 R 8.61 4.17 0.00 1.72 1.72 0.00 3.31 0.00 0.00 3.22 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 27 T 8.50 4.21 4.25 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 1.22 0.00 0.00 28 A 7.63 3.91 1.40 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 29 E 8.47 4.60 0.00 2.00 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 2.54 2.28 0.00 30 L 7.66 4.07 0.00 1.69 1.72 1.03 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.79 3.56 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 0.81 0.00 0.00 0.89 0.00 0.00 32 D 7.48 4.44 0.00 2.82 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 33 K 7.86 4.14 0.00 1.89 1.88 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.52 7.81 34 G 8.33 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 35 V 8.53 3.54 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 1.03 0.00 0.00 0.93 0.00 0.00 36 H 8.38 3.97 0.00 3.30 3.31 0.00 5.92 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 7.99 4.06 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 38 I 7.75 3.91 1.97 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 1.46 0.71 0.90 0.00 0.00 39 G 8.71 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 40 K 7.87 3.95 0.00 2.00 1.85 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.40 1.58 7.81 41 K 7.65 3.92 0.00 1.82 1.46 0.00 1.78 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.63 1.52 7.81 42 V 7.94 3.58 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 1.01 0.00 0.00 1.00 0.00 0.00 43 V 7.91 3.67 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 1.01 0.00 0.00 0.97 0.00 0.00 44 E 8.37 4.15 0.00 2.26 2.24 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 2.44 2.37 0.00 45 E 8.59 4.03 0.00 2.08 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 0.00 2.54 2.57 0.00 46 A 8.23 4.05 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 47 A 7.54 4.20 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 48 E 7.98 4.11 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 2.38 2.52 0.00 49 V 8.38 3.87 2.34 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 1.15 0.00 0.00 1.06 0.00 0.00 50 W 8.19 4.54 0.00 3.48 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 *52 A 7.99 4.31 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 53 A 8.37 4.03 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.27 4.08 0.00 2.06 1.75 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 1.75 1.64 0.00 55 Y 7.93 4.56 0.00 2.94 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 56 E 8.14 4.63 0.00 2.11 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 2.33 2.41 0.00 57 G 8.19 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 58 K 8.53 3.97 0.00 1.82 1.90 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.52 7.81 59 D 8.09 4.31 0.00 2.80 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 A 8.04 3.99 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 61 A 8.21 4.01 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 62 A 8.15 3.98 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 63 E 8.40 3.91 0.00 2.17 2.13 0.00 0.00 0.00 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 2.37 0.00 64 E 8.19 4.07 0.00 2.11 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 0.00 2.59 2.55 0.00 65 I 8.05 3.84 2.10 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 1.62 0.83 0.96 0.00 0.00 66 S 8.34 4.23 0.00 4.12 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 0.00 67 Q 8.16 4.13 0.00 2.45 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.57 0.00 68 L 7.96 4.04 0.00 1.87 1.92 0.97 0.67 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 69 L 8.25 4.11 0.00 2.05 2.02 1.06 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 8.26 4.13 0.00 3.11 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 71 H 8.01 3.90 0.00 3.22 3.32 0.00 5.71 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 7.69 3.74 2.31 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 0.87 0.00 0.00 1.02 0.00 0.00 73 Q 8.25 4.30 0.00 2.15 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.11 0.00 0.00 0.00 0.00 0.00 2.19 2.49 0.00 74 V 7.44 3.66 1.97 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 0.92 0.00 0.00 0.19 0.00 0.00 *77 V 7.73 3.93 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 0.83 0.00 0.00 0.72 0.00 0.00 78 A 8.35 4.04 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 79 R 7.96 4.38 0.00 1.80 1.95 0.00 3.48 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 80 G 7.81 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 0.00 0.00 0.00 81 I 7.78 4.19 1.88 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 1.47 0.62 0.87 0.00 0.00 82 S 8.57 4.91 0.00 4.10 4.03 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 83 L 8.06 3.38 0.00 1.54 1.13 0.98 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 84 D 7.93 4.51 0.00 2.78 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 85 D 7.57 4.35 0.00 2.74 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 86 V 7.45 3.72 1.77 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 0.98 0.00 0.00 0.86 0.00 0.00 87 Y 8.28 4.49 0.00 3.04 2.87 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 0.00 88 A 8.07 4.02 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 89 H 8.28 4.46 0.00 3.39 3.34 0.00 5.63 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 7.54 4.28 0.00 1.84 1.73 1.04 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 91 L 7.61 4.31 0.00 1.63 1.53 0.91 0.64 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 * Residues marked with a * may have inaccurate shift predictions.