NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 N 4.7375 8.2833 119.2099 52.7351 39.6345 174.9288 14 P 4.2750 0.0000 0.0000 65.0629 31.3437 177.9279 15 L 4.2592 8.2605 122.6350 59.9708 41.2206 183.0315 *16 D 4.5940 8.2187 121.2697 58.4682 39.7276 181.3959 17 K 4.2814 8.0168 120.2598 58.8737 32.0416 179.3415 18 W 4.1352 8.4658 128.7085 60.5424 30.6495 177.6742 19 N 4.1325 8.4850 116.4553 56.4210 38.0722 176.6958 20 D 4.4031 7.9133 119.4076 57.4894 41.2789 178.5629 21 I 3.6313 7.6304 120.0583 64.5074 36.9344 178.3418 22 I 3.2965 6.8074 120.5068 63.4160 36.7936 177.9245 23 F 4.3482 7.5926 116.8414 59.0225 39.1340 176.7763 24 H 4.8640 7.7611 113.1028 54.7530 29.7362 174.7757 25 A 4.3608 7.6786 124.3881 50.7211 19.5835 177.8781 26 S 4.2999 8.5374 116.9619 59.3168 64.6873 176.3701 27 K 3.9406 8.7710 130.6111 60.5261 31.4167 180.1462 *28 K 4.0837 8.0731 124.1403 60.0179 31.4881 181.1015 29 L 4.1624 7.5658 119.3395 57.5969 41.3893 179.9534 30 S 4.0064 8.2476 117.5225 62.1122 62.8933 177.4528 *31 K 4.1168 8.4856 129.2110 60.2959 31.3596 181.6307 32 K 4.1666 8.0051 125.0219 59.6237 31.5569 180.7178 33 E 4.1486 8.3305 121.1464 59.0976 29.5465 178.9140 34 L 4.0836 8.1161 119.1924 57.8349 41.6102 179.1583 35 E 3.9400 8.1408 118.7786 58.9979 29.4965 178.9462 36 R 3.8797 7.7665 118.7229 59.3784 30.1679 178.5265 37 L 4.0553 7.9910 118.8687 57.5763 41.5597 179.4772 38 L 3.9919 8.1890 119.2166 57.8231 41.5159 179.1028 39 E 3.9363 8.4316 119.4028 59.1358 29.4362 178.8968 40 L 3.9325 7.8969 119.0048 57.7914 41.6775 179.2190 41 L 3.9184 8.1025 120.0501 58.0320 41.9701 178.8852 42 A 3.9786 8.2236 120.8271 55.0263 18.3510 179.6147 43 L 3.9115 8.1792 117.7867 58.0072 41.6822 179.1312 44 C 4.0170 8.1688 118.6337 62.7061 31.4111 175.5900 45 E 3.8506 8.3630 120.1191 59.6969 29.0272 179.4341 46 T 3.8651 8.0461 115.8101 66.5484 68.4111 176.3209 47 F 4.1915 8.3003 122.4771 61.4894 39.3581 177.1932 48 I 3.4327 7.5498 118.9549 64.3903 36.6815 178.3474 49 E 4.3235 7.8835 120.4783 58.6878 29.0678 179.2706 50 K 3.8835 8.1512 119.2980 59.0639 32.3832 177.7146 51 E 3.9113 7.8692 116.9971 55.3064 30.3743 174.8834 52 D 4.5029 7.4072 115.5388 56.1818 39.8646 173.5111 53 L 4.6712 8.0569 114.6429 54.5070 41.7854 178.9018 54 E 3.9108 8.0401 118.0499 60.8492 29.2270 178.9654 55 E 4.0546 8.0433 116.6808 59.4486 30.1108 179.0579 56 K 3.9896 8.0662 120.1794 59.2647 32.2653 178.4583 57 F 4.4546 8.5860 121.1681 61.3694 39.2214 177.1448 58 E 3.9548 8.5752 118.1795 58.9197 29.0260 178.6184 59 S 4.4809 8.0217 112.9696 59.2434 63.2641 175.1918 60 F 4.5072 7.5633 122.3797 60.2569 39.6306 177.3839 61 A 3.8710 8.2294 123.2857 55.5090 17.5604 180.3912 62 K 3.8667 7.8383 122.0923 59.5399 31.8387 181.9416 63 A 4.2029 7.5636 119.2969 54.7318 17.9265 179.3474 64 L 3.7776 7.0837 120.6889 59.0968 42.1609 179.7885 65 R 4.0831 7.5939 120.7247 61.4460 29.3476 179.9309 66 I 4.2843 7.5566 114.1840 60.2596 37.0618 177.9071 67 D 4.7015 8.0603 122.0879 53.7605 41.4498 177.5496 68 E 4.1812 8.6779 126.9922 61.0604 29.7149 175.2710 69 E 4.1670 8.2312 118.1587 59.4194 29.5445 178.9797 70 L 3.9544 7.6872 119.0593 57.9949 42.0361 178.7125 71 Q 3.9411 8.0269 118.4170 59.1464 28.6927 179.1222 72 Q 4.0373 7.9261 118.2918 58.8400 28.5349 178.1938 73 K 3.9391 7.8614 121.3189 59.3586 32.1405 178.9489 74 I 3.7735 8.0193 120.2300 64.4885 37.0767 178.1614 75 E 3.9122 7.9602 119.1829 59.4108 29.1983 179.5184 76 S 4.0350 8.1417 113.1328 61.4237 62.5288 176.2776 77 R 3.8642 7.7176 121.1162 59.0501 29.7194 177.8453 78 K 3.6622 8.1858 119.7432 60.1377 31.9949 178.3525 79 T 3.8084 7.8090 115.3805 66.8959 68.4815 176.1928 80 D 4.3140 7.9284 120.3370 57.4129 40.7889 178.8291 81 I 3.5888 8.1519 120.4788 64.3924 37.0735 178.4892 82 V 3.0648 7.7197 119.0408 65.9544 31.2227 177.9508 83 I 3.7180 7.8791 119.5466 64.5732 36.9881 178.2231 84 Q 3.9437 8.0108 120.1919 59.0846 28.8703 177.9813 85 S 4.5316 8.2907 115.8392 61.2023 62.4672 176.1122 86 M 4.1392 8.6748 121.3580 58.4449 31.6998 178.5931 87 A 4.0498 8.1883 120.9266 55.3112 18.3317 179.4043 88 N 4.2945 8.4464 114.2685 56.4477 38.9604 177.5522 89 I 3.8614 7.8356 121.0855 64.5358 37.4613 178.4525 90 L 4.0308 8.4087 120.1144 57.8812 41.0983 179.7229 91 S 4.3083 8.4280 113.4784 61.3210 62.2665 176.4102 92 G 3.7240 8.2159 110.4768 47.6846 0.0000 176.5484 93 L 4.0423 7.2924 123.1852 59.7418 41.1488 183.6326 94 E 4.1235 8.1459 119.4569 59.3854 29.1564 179.1042 95 H 4.2255 7.8640 117.9754 59.5279 28.8657 177.5787 *96 H 4.4284 7.8289 117.7450 58.1999 27.7508 177.5928 97 H 4.5953 7.8916 122.7949 57.1321 28.5689 175.1657 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 13 N 8.28 4.74 0.00 2.80 2.83 0.00 0.00 7.09 6.82 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 14 P 0.00 4.28 0.00 2.30 2.11 0.00 3.67 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.22 0.00 15 L 8.26 4.26 0.00 1.65 1.67 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 *16 D 8.22 4.59 0.00 2.68 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.02 4.28 0.00 1.93 1.96 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.64 7.81 18 W 8.47 4.14 0.00 3.50 3.41 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 19 N 8.48 4.13 0.00 3.21 3.05 0.00 0.00 6.69 8.21 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 20 D 7.91 4.40 0.00 2.93 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 21 I 7.63 3.63 1.81 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 1.66 0.66 0.80 0.00 0.00 22 I 6.81 3.30 0.89 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 -0.36 -0.11 0.00 0.00 23 F 7.59 4.35 0.00 2.77 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 24 H 7.76 4.86 0.00 3.19 3.34 0.00 5.67 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.68 4.36 1.16 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 0.00 0.00 26 S 8.54 4.30 0.00 4.04 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 27 K 8.77 3.94 0.00 1.78 1.87 0.00 1.81 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.08 7.81 *28 K 8.07 4.08 0.00 1.75 1.86 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.45 1.12 7.81 29 L 7.57 4.16 0.00 1.78 1.71 0.91 0.89 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 30 S 8.25 4.01 0.00 3.81 3.67 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 *31 K 8.49 4.12 0.00 1.72 1.82 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.33 7.81 32 K 8.01 4.17 0.00 1.77 1.85 0.00 1.78 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.32 7.81 33 E 8.33 4.15 0.00 2.16 1.96 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 2.39 2.53 0.00 34 L 8.12 4.08 0.00 1.72 1.73 0.77 0.88 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 35 E 8.14 3.94 0.00 2.29 2.09 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 2.30 2.19 0.00 36 R 7.77 3.88 0.00 2.04 2.13 0.00 3.15 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 37 L 7.99 4.06 0.00 1.96 1.72 1.09 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.19 3.99 0.00 1.86 1.73 0.94 0.76 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 39 E 8.43 3.94 0.00 2.14 2.07 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 2.30 2.35 0.00 40 L 7.90 3.93 0.00 2.06 1.68 0.92 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.10 3.92 0.00 1.77 1.84 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.22 3.98 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 43 L 8.18 3.91 0.00 1.90 1.69 0.92 1.00 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 44 C 8.17 4.02 0.00 3.07 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 45 E 8.36 3.85 0.00 2.10 1.96 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 2.28 2.52 0.00 46 T 8.05 3.87 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 1.23 0.00 0.00 47 F 8.30 4.19 0.00 3.13 3.21 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 48 I 7.55 3.43 1.76 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.56 0.70 0.00 0.00 49 E 7.88 4.32 0.00 2.09 1.96 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 2.31 2.15 0.00 50 K 8.15 3.88 0.00 1.86 1.80 0.00 1.83 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.59 7.81 51 E 7.87 3.91 0.00 1.42 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 1.86 2.10 0.00 52 D 7.41 4.50 0.00 2.72 2.65 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 53 L 8.06 4.67 0.00 1.57 1.57 0.79 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.04 3.91 0.00 2.07 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 0.00 2.43 2.48 0.00 55 E 8.04 4.05 0.00 2.18 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 0.00 2.38 2.32 0.00 56 K 8.07 3.99 0.00 1.96 1.88 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.07 7.81 57 F 8.59 4.45 0.00 3.15 3.29 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 58 E 8.58 3.95 0.00 2.21 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 2.36 2.60 0.00 59 S 8.02 4.48 0.00 4.07 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 60 F 7.56 4.51 0.00 3.23 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 0.00 61 A 8.23 3.87 0.99 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 0.00 0.00 0.00 0.00 0.00 62 K 7.84 3.87 0.00 1.73 1.83 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.32 7.81 63 A 7.56 4.20 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 64 L 7.08 3.78 0.00 1.51 1.77 0.82 0.83 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 65 R 7.59 4.08 0.00 1.99 1.84 0.00 3.30 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 66 I 7.56 4.28 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 1.30 1.17 0.91 0.00 0.00 67 D 8.06 4.70 0.00 2.73 2.56 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 68 E 8.68 4.18 0.00 2.01 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 2.31 1.97 0.00 69 E 8.23 4.17 0.00 2.16 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 2.39 2.35 0.00 70 L 7.69 3.95 0.00 1.89 1.51 0.76 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 8.03 3.94 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.60 0.00 0.00 0.00 0.00 0.00 2.34 2.59 0.00 72 Q 7.93 4.04 0.00 2.23 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 73 K 7.86 3.94 0.00 2.11 2.01 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.36 7.81 74 I 8.02 3.77 1.84 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 1.70 0.69 0.90 0.00 0.00 75 E 7.96 3.91 0.00 2.17 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 0.00 2.42 2.46 0.00 76 S 8.14 4.03 0.00 3.96 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 77 R 7.72 3.86 0.00 1.93 1.91 0.00 3.20 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 78 K 8.19 3.66 0.00 2.06 1.74 0.00 1.78 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.45 7.81 79 T 7.81 3.81 4.39 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 1.20 0.00 0.00 80 D 7.93 4.31 0.00 2.85 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 81 I 8.15 3.59 1.96 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 1.35 0.73 0.75 0.00 0.00 82 V 7.72 3.06 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 1.14 0.00 0.00 0.11 0.00 0.00 83 I 7.88 3.72 2.01 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 1.43 0.50 0.93 0.00 0.00 84 Q 8.01 3.94 0.00 2.18 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 85 S 8.29 4.53 0.00 4.10 4.28 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 86 M 8.67 4.14 0.00 2.16 2.38 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.18 2.79 0.00 87 A 8.19 4.05 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 88 N 8.45 4.29 0.00 2.86 2.91 0.00 0.00 7.11 7.34 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 89 I 7.84 3.86 1.86 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.01 0.87 0.00 0.00 90 L 8.41 4.03 0.00 1.65 1.74 0.94 0.83 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 91 S 8.43 4.31 0.00 4.07 4.05 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 0.00 0.00 0.00 92 G 8.22 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 93 L 7.29 4.04 0.00 1.87 1.60 0.92 0.90 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 94 E 8.15 4.12 0.00 2.00 1.91 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 2.30 2.24 0.00 95 H 7.86 4.23 0.00 3.28 3.36 0.00 5.66 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 *96 H 7.83 4.43 0.00 2.97 2.97 0.00 7.20 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.89 4.60 0.00 3.17 3.24 0.00 5.67 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.