NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.4332 8.1727 120.0879 56.5104 34.0172 174.0557 3 S 5.0550 8.5955 117.3725 55.9564 65.8722 171.1230 4 I 5.0167 8.7436 124.9860 59.4022 42.2038 174.2534 5 T 4.6159 8.9342 118.5374 61.3717 70.0125 175.7888 6 T 4.1023 8.7799 115.5592 65.6329 68.7503 177.0200 7 D 4.2223 7.9547 123.4907 58.3746 39.7231 181.1559 8 E 4.1923 7.9096 119.1725 58.9081 29.8173 178.9422 9 L 3.9815 8.1891 120.7552 57.9133 42.1975 179.0506 10 K 3.9084 8.3466 118.9645 59.5296 31.9362 178.9738 11 N 4.3407 8.1475 116.6161 56.1371 38.3393 177.3618 12 K 4.2628 7.8863 119.1777 58.6932 31.8636 179.0739 13 L 4.0376 7.7079 118.8300 57.3207 41.5651 178.5169 14 L 4.2736 7.6669 116.8122 54.8266 42.0106 176.7778 15 E 4.4771 7.4036 119.1625 55.0981 30.8979 176.9827 16 S 4.2329 8.6091 115.5856 61.1226 63.4712 175.2926 17 K 4.0679 7.8724 120.5885 55.4240 32.6676 174.8847 18 P 4.4084 0.0000 0.0000 62.4634 31.9954 176.1848 19 V 4.2494 8.0945 114.8032 60.2895 33.2922 175.6454 20 Q 4.5506 8.5400 121.9445 54.9332 30.2527 174.4754 21 I 5.0924 8.4280 125.1691 59.3782 40.4868 174.7902 22 V 4.7794 8.9135 126.5478 61.1838 34.3326 173.5019 23 D 5.0693 9.1451 128.8927 52.9304 42.4263 176.5307 24 V 4.9885 8.3224 118.6908 60.5439 32.2202 176.5504 25 R 4.1308 8.3502 121.4806 55.7534 30.7080 176.2590 26 T 4.0873 8.6937 110.8207 61.6571 70.7532 175.3181 27 D 4.3927 8.3834 122.1854 56.8634 40.5701 178.7281 28 E 3.9782 8.1313 118.0058 59.4464 29.5446 178.9446 29 E 4.1369 7.7140 117.5319 59.7079 29.7565 179.3766 30 T 4.1138 8.1606 109.2391 63.9404 68.7925 176.1833 31 A 4.1316 7.8292 125.8300 50.7698 18.4332 177.2998 *33 G 3.8206 7.6340 108.2050 47.5284 0.0000 172.6089 34 Y 5.0469 8.0613 120.9174 54.6855 42.6912 174.2051 35 I 4.0142 8.1703 120.2526 60.3725 38.0746 174.4884 36 P 4.3282 0.0000 0.0000 64.3879 31.5927 176.3356 37 N 4.4060 9.1847 117.7349 53.3327 36.2832 174.3501 38 A 4.4050 8.0020 120.6008 51.8573 19.3609 177.7746 39 K 4.0906 9.2627 121.3280 56.0481 33.6447 176.2998 40 L 4.7451 8.3500 125.1162 53.4226 42.7232 176.4449 41 I 4.3863 8.4615 125.5454 57.8770 39.6901 175.4532 42 P 5.1524 0.0000 0.0000 61.1093 30.5772 179.0861 *44 D 4.5072 8.6302 124.3279 53.9666 41.1315 176.1908 45 T 4.3807 7.9130 109.7990 61.6520 69.9887 176.4336 46 I 3.7108 7.7215 124.1379 64.3640 36.8853 176.0034 47 P 4.8342 0.0000 0.0000 64.0683 31.2179 177.1804 48 D 4.8844 7.6470 116.4419 54.0782 41.1169 176.1080 49 N 5.1469 8.1642 116.7736 52.8583 40.4596 176.4993 50 L 4.2359 8.3641 121.5739 58.1078 41.8375 179.3614 51 N 4.3875 8.2216 114.6196 56.0557 38.5466 176.2266 52 S 4.1317 8.2422 113.6049 59.8645 63.0777 174.0791 53 F 4.5424 7.9884 119.3217 55.2307 40.7254 174.4395 54 N 5.2335 9.2160 120.7840 50.9682 40.0113 175.1716 55 K 4.4621 8.6325 116.7049 57.4027 32.3475 177.6518 56 N 4.6476 8.1505 116.2299 53.7782 39.2315 174.8214 57 E 4.6136 7.6995 115.2387 54.3762 32.2400 174.8371 58 I 4.4822 7.7131 120.6836 60.0852 39.0572 174.8465 59 Y 4.7476 8.7245 124.1896 56.4328 40.7569 174.1666 60 Y 4.9230 9.1413 122.8220 56.6949 40.0448 174.5926 61 I 5.0281 8.9112 126.4844 59.5874 39.5068 175.1991 62 V 4.8002 8.9100 126.8650 60.2212 34.4349 174.9231 63 C 4.9085 8.2309 117.2055 57.0434 32.1022 173.8446 64 A 4.0381 8.8771 120.7164 55.6275 18.0762 179.2075 65 G 4.0866 7.9227 98.8454 45.4800 0.0000 173.2370 66 G 4.1725 8.5793 107.8001 44.4973 0.0000 175.3974 67 V 3.9067 7.6178 118.8547 65.5224 31.9783 177.7693 68 R 3.9451 7.9571 117.4436 59.3700 29.8797 179.0973 69 S 4.1515 8.0789 113.3290 61.4055 63.0675 176.2344 70 A 4.0478 7.8493 124.4838 54.8026 18.0277 179.8453 71 K 3.9496 7.8615 116.6628 59.5607 32.2314 179.5856 72 V 3.5992 7.8434 118.6190 65.8155 31.3416 178.0231 73 V 3.5557 8.0759 118.3343 66.2298 31.3484 177.7700 74 E 3.9200 8.1125 118.0370 59.5965 29.4730 178.7677 75 Y 3.9329 8.1581 119.4262 60.6897 38.8058 178.2278 76 L 3.7558 8.3216 120.2746 57.7801 41.1940 179.3997 77 E 4.0939 8.6347 119.7784 58.5413 29.1412 178.8475 78 A 4.1278 7.7788 119.2958 53.5750 18.4398 178.1497 79 N 4.7138 6.9655 112.4696 52.2165 39.0827 174.9922 80 G 3.8210 7.6114 107.3346 46.2615 0.0000 173.4347 81 I 4.4834 7.6488 120.3814 58.9647 40.0042 174.4990 82 D 4.9722 9.0579 126.3967 53.1172 41.9384 174.6745 83 A 5.2451 8.7856 126.8905 50.1716 22.6850 174.9214 84 V 4.5168 8.6577 119.8113 60.9378 35.1852 174.1803 85 N 4.7871 9.2054 127.2259 53.4001 40.4858 174.1232 86 V 4.4855 8.8291 126.9512 61.7319 32.2381 175.1059 87 E 4.2341 8.9775 129.3373 57.8998 29.8810 178.2834 88 G 3.8426 8.9768 111.9009 44.4099 0.0000 176.4564 89 G 4.0746 7.3113 105.3241 46.3177 0.0000 174.7678 *91 H 4.6266 7.8823 115.0870 55.3328 32.0853 175.9778 92 A 4.2702 8.2220 120.6064 54.8904 18.4198 178.4860 93 W 3.9987 8.3300 125.0545 58.7191 30.8122 176.5882 94 G 4.0035 7.9005 102.9352 45.2220 0.0000 172.4361 95 D 4.9677 8.4110 114.8809 52.8112 39.5794 175.5245 96 E 4.5870 8.1742 118.4869 56.3274 31.5783 176.0892 97 G 3.9150 8.9114 110.1745 46.0313 0.0000 173.1884 98 L 4.5784 7.6653 118.1718 53.5617 43.3717 175.5072 99 E 4.5843 9.0039 122.8904 54.4761 31.7705 174.7198 100 I 4.8114 7.9141 118.1476 58.8691 40.7421 174.5219 101 K 4.3618 8.7574 125.2367 55.6841 33.0638 176.5371 102 S 4.4793 8.5725 119.4084 59.5278 63.0546 173.8045 103 I 4.1687 7.4565 124.8370 61.9981 37.9483 174.4147 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 8.17 4.43 0.00 1.74 1.82 0.00 1.57 0.00 0.00 1.80 0.00 0.00 2.82 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.46 7.81 3 S 8.60 5.06 0.00 3.93 3.80 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 4 I 8.74 5.02 2.06 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 1.31 1.77 1.14 0.00 0.00 5 T 8.93 4.62 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 6 T 8.78 4.10 4.32 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 1.57 0.00 0.00 7 D 7.95 4.22 0.00 2.71 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 8 E 7.91 4.19 0.00 2.11 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 0.00 2.34 2.30 0.00 9 L 8.19 3.98 0.00 1.86 1.98 0.40 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.35 3.91 0.00 1.69 1.59 0.00 1.19 0.00 0.00 1.05 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.36 0.59 7.81 11 N 8.15 4.34 0.00 2.92 2.84 0.00 0.00 7.02 7.44 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 12 K 7.89 4.26 0.00 1.94 1.80 0.00 1.28 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.59 1.59 7.81 13 L 7.71 4.04 0.00 1.75 1.76 1.00 0.84 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 14 L 7.67 4.27 0.00 1.75 1.70 0.90 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 15 E 7.40 4.48 0.00 2.12 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.23 0.00 16 S 8.61 4.23 0.00 3.98 3.99 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 17 K 7.87 4.07 0.00 1.89 1.89 0.00 1.60 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.48 7.81 18 P 0.00 4.41 0.00 2.07 2.04 0.00 3.67 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 19 V 8.09 4.25 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 0.71 0.00 0.00 0.94 0.00 0.00 20 Q 8.54 4.55 0.00 1.90 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.87 0.00 0.00 0.00 0.00 0.00 2.33 2.21 0.00 21 I 8.43 5.09 1.87 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 1.31 0.77 0.83 0.00 0.00 22 V 8.91 4.78 2.25 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 1.17 0.00 0.00 1.11 0.00 0.00 23 D 9.15 5.07 0.00 2.71 2.44 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 24 V 8.32 4.99 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 0.78 0.00 0.00 1.00 0.00 0.00 25 R 8.35 4.13 0.00 1.98 1.99 0.00 3.24 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 26 T 8.69 4.09 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 1.24 0.00 0.00 27 D 8.38 4.39 0.00 2.69 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 28 E 8.13 3.98 0.00 1.93 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 2.32 2.41 0.00 29 E 7.71 4.14 0.00 2.11 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 2.32 0.00 30 T 8.16 4.11 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 1.33 0.00 0.00 31 A 7.83 4.13 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 *33 G 7.63 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 34 Y 8.06 5.05 0.00 2.97 2.99 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 35 I 8.17 4.01 1.61 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 0.16 -0.11 0.71 0.00 0.00 36 P 0.00 4.33 0.00 2.07 2.01 0.00 3.84 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.07 0.00 37 N 9.18 4.41 0.00 2.93 3.02 0.00 0.00 7.00 7.35 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 38 A 8.00 4.41 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 39 K 9.26 4.09 0.00 1.61 1.62 0.00 1.82 0.00 0.00 1.40 0.00 0.00 2.70 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.39 1.41 7.81 40 L 8.35 4.75 0.00 1.31 1.43 0.08 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 41 I 8.46 4.39 1.90 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.76 0.93 0.00 0.00 42 P 0.00 5.15 0.00 2.27 1.77 0.00 3.86 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 *44 D 8.63 4.51 0.00 2.76 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 45 T 7.91 4.38 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 1.18 0.00 0.00 46 I 7.72 3.71 1.62 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.88 0.70 0.00 0.00 47 P 0.00 4.83 0.00 1.94 2.08 0.00 3.49 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.29 0.00 48 D 7.65 4.88 0.00 2.79 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 49 N 8.16 5.15 0.00 2.76 2.76 0.00 0.00 6.99 6.36 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 50 L 8.36 4.24 0.00 1.77 1.78 0.99 0.74 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 51 N 8.22 4.39 0.00 2.72 2.90 0.00 0.00 6.93 7.57 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 52 S 8.24 4.13 0.00 3.44 3.44 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 53 F 7.99 4.54 0.00 2.90 2.57 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 54 N 9.22 5.23 0.00 2.96 2.96 0.00 0.00 6.97 7.81 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 55 K 8.63 4.46 0.00 1.80 1.91 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.49 7.81 56 N 8.15 4.65 0.00 2.87 2.88 0.00 0.00 6.77 8.77 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 57 E 7.70 4.61 0.00 1.32 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 2.20 2.45 0.00 58 I 7.71 4.48 1.68 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 1.45 0.47 0.41 0.00 0.00 59 Y 8.72 4.75 0.00 2.96 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 60 Y 9.14 4.92 0.00 3.07 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 61 I 8.91 5.03 1.93 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 1.49 0.99 0.96 0.00 0.00 62 V 8.91 4.80 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 0.79 0.00 0.00 0.90 0.00 0.00 63 C 8.23 4.91 0.00 3.07 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 64 A 8.88 4.04 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 65 G 7.92 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 0.00 0.00 0.00 66 G 8.58 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 67 V 7.62 3.91 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 1.08 0.00 0.00 0.95 0.00 0.00 68 R 7.96 3.95 0.00 1.89 1.97 0.00 3.17 0.00 0.00 3.38 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 69 S 8.08 4.15 0.00 4.24 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 70 A 7.85 4.05 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 71 K 7.86 3.95 0.00 2.00 1.87 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.50 7.81 72 V 7.84 3.60 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 1.00 0.00 0.00 0.93 0.00 0.00 73 V 8.08 3.56 2.26 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 1.10 0.00 0.00 0.97 0.00 0.00 74 E 8.11 3.92 0.00 2.29 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 2.33 2.56 0.00 75 Y 8.16 3.93 0.00 3.07 3.07 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 76 L 8.32 3.76 0.00 1.66 1.41 0.50 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 77 E 8.63 4.09 0.00 1.90 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 2.38 2.30 0.00 78 A 7.78 4.13 1.22 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 0.00 0.00 0.00 79 N 6.97 4.71 0.00 2.49 2.59 0.00 0.00 7.00 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 80 G 7.61 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 81 I 7.65 4.48 1.78 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.16 0.83 0.00 0.00 82 D 9.06 4.97 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 83 A 8.79 5.25 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 84 V 8.66 4.52 1.85 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 1.20 0.00 0.00 0.78 0.00 0.00 85 N 9.21 4.79 0.00 2.92 2.72 0.00 0.00 6.54 7.81 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 86 V 8.83 4.49 2.26 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 1.05 0.00 0.00 1.11 0.00 0.00 87 E 8.98 4.23 0.00 2.03 1.92 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 2.39 2.46 0.00 88 G 8.98 3.84 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 0.00 0.00 0.00 89 G 7.31 4.07 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 0.00 *91 H 7.88 4.63 0.00 3.37 3.56 0.00 5.69 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 A 8.22 4.27 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 93 W 8.33 4.00 0.00 3.46 3.14 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 94 G 7.90 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 D 8.41 4.97 0.00 2.79 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 96 E 8.17 4.59 0.00 1.95 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 2.28 0.00 97 G 8.91 3.92 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 0.00 0.00 0.00 98 L 7.67 4.58 0.00 1.51 1.67 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 99 E 9.00 4.58 0.00 1.75 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 1.75 2.05 0.00 100 I 7.91 4.81 1.88 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 1.19 0.83 0.86 0.00 0.00 101 K 8.76 4.36 0.00 1.85 1.80 0.00 1.72 0.00 0.00 1.89 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.52 7.81 102 S 8.57 4.48 0.00 3.87 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 0.00 103 I 7.46 4.17 1.88 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 1.28 0.62 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.