NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.2437 8.3101 122.1367 53.9014 33.4643 175.3846 5 A 3.9502 8.6407 127.1469 51.4536 18.9335 175.6144 *6 H 4.8781 8.5321 118.1581 52.1699 32.4003 170.3437 7 R 4.3880 8.4681 125.0347 55.2005 30.7241 176.1395 8 L 4.4402 8.8238 126.7664 54.9570 42.4118 177.2339 9 S 4.5618 9.1041 117.8171 57.1775 64.7553 174.8990 10 A 4.0541 8.8980 124.4937 56.0934 18.1128 180.3237 11 E 4.0672 8.0354 116.0321 61.4795 30.1200 181.3502 12 E 4.3380 7.9044 119.9599 59.4810 29.4251 179.8727 13 R 3.9542 8.3893 118.2978 59.3486 29.9224 178.6010 14 D 4.4225 7.9316 117.0724 56.2855 40.9628 177.7300 15 Q 4.3954 7.7345 117.0067 56.2995 29.2672 176.1813 16 L 4.6202 7.5776 117.8878 55.6161 44.8238 178.7220 17 L 3.9182 8.4209 118.8504 57.2748 41.4159 177.4705 18 P 4.2349 0.0000 0.0000 65.9311 31.0325 178.2128 19 N 4.3401 8.1106 113.4089 56.3898 38.7824 176.9538 20 L 4.2958 7.5125 119.9749 57.6233 41.9398 179.2738 21 R 4.8357 9.1403 120.3272 58.9930 29.7738 178.3737 22 A 4.1965 8.3293 119.6143 54.0243 18.3108 178.3987 23 V 4.2191 7.4417 109.1944 61.2710 32.0091 176.2103 24 G 3.6860 7.6714 107.9106 45.0605 0.0000 174.5456 25 W 4.6239 8.4130 121.2032 56.3098 30.2464 175.1832 26 N 5.4876 9.2064 122.5141 51.3787 41.5281 174.0625 27 E 4.8822 8.7308 120.3093 56.1066 30.7100 176.4017 28 L 4.4929 8.6730 125.5534 54.5412 43.1240 177.1858 29 E 4.1175 8.6614 118.2927 56.7085 30.4287 177.7117 30 G 4.0212 10.1754 111.0716 44.7179 0.0000 173.0844 31 R 4.5239 7.3549 117.3157 55.1180 32.6907 174.9422 32 D 4.6153 8.5779 124.9077 52.9228 39.9457 174.1923 33 A 4.8476 7.8033 124.2214 50.3774 23.1404 174.7146 34 I 5.1937 8.6396 112.9001 59.5058 40.9475 174.3976 35 F 5.7017 9.7671 124.7878 57.2221 43.4260 173.0087 36 K 3.8671 7.4382 123.3187 55.0175 35.6978 174.1408 37 Q 4.5054 7.6637 125.5285 54.4190 30.5191 174.9230 38 F 4.4558 9.4853 122.2466 55.8908 42.1090 173.6932 39 H 5.3296 8.5263 120.6045 54.0483 31.1282 173.4588 40 F 4.7384 8.9257 123.3342 55.8294 41.8786 176.4033 41 K 4.1852 8.8828 120.7164 57.6894 31.8335 173.2091 42 D 4.2353 7.4099 116.4700 51.0181 42.1056 175.4449 43 F 4.1830 7.7555 120.9319 60.7556 39.3295 176.2921 44 N 4.0586 8.2006 116.3334 56.9894 38.5604 176.8814 45 R 3.7528 8.2803 118.8945 58.9768 30.1721 178.7732 46 A 2.7263 7.3578 120.5610 54.8210 18.2933 179.4686 47 F 3.6668 8.2370 119.5133 60.6255 39.3608 177.8145 48 G 3.4507 7.5557 105.3966 47.4164 0.0000 175.4460 49 F 4.0603 7.9237 123.1161 61.4116 39.3932 177.1360 50 M 3.7296 7.6059 118.1817 58.3075 31.5395 178.9473 51 S 3.8951 7.7566 115.6293 61.5901 62.8111 177.0371 52 R 3.9541 7.7444 120.6139 59.1716 29.6994 179.3165 53 V 3.6865 7.7539 118.0007 65.6405 31.4582 177.9724 54 A 3.9593 8.5448 121.0858 55.1237 18.2626 179.4288 55 L 3.8482 7.7945 117.4949 58.1927 41.6485 179.7309 56 Q 3.5905 7.7224 119.0641 58.7617 28.7971 177.9092 57 A 3.9252 7.8939 123.6376 54.5561 18.1101 179.4274 58 E 3.9658 7.8409 116.1664 59.0092 29.6319 179.0065 59 K 3.9992 7.6817 119.2995 58.8669 32.3646 178.0527 60 L 4.2213 7.9708 116.9704 53.5373 42.6620 175.6660 61 D 4.3379 7.8136 117.6572 54.9802 39.9795 173.0682 62 H 4.7965 7.5112 116.0586 54.6982 33.1281 171.0931 63 H 4.6562 8.3397 123.2959 53.0344 31.4680 171.8834 64 P 4.3061 0.0000 0.0000 62.5200 32.7140 175.7686 65 E 4.6520 9.0447 123.6166 54.5989 29.9168 174.3639 66 W 5.9264 8.9578 122.6449 54.4788 31.7788 174.3347 67 F 5.1550 9.5499 123.5204 56.6395 41.9413 173.4458 68 N 5.7873 7.9451 122.6149 51.0155 42.3975 174.1891 69 V 4.1182 7.8406 124.4102 61.0070 35.0503 175.9661 70 Y 3.6360 8.9393 128.5681 58.7969 38.6423 171.2350 71 N 4.7520 9.3057 116.9533 52.9227 38.6896 174.2811 72 K 5.0461 8.1993 120.0750 55.0167 34.9055 175.6181 73 V 4.9630 9.2077 123.9226 61.8006 34.8892 173.5141 74 H 5.5477 9.9129 126.2233 54.3023 31.2302 173.7115 75 I 5.2883 8.7858 124.4662 59.8895 40.3026 174.6450 76 T 5.5837 9.4625 123.5962 61.8671 71.7715 173.0782 77 L 5.1004 9.0927 125.7704 53.2032 45.0641 175.5235 78 S 4.9405 8.4460 115.2594 58.0078 65.6478 174.3898 79 T 4.7155 8.7381 122.1765 62.0775 69.7894 175.3769 80 H 4.2736 9.1642 125.6333 58.4142 29.2774 178.1593 81 E 3.8558 8.1127 116.0565 58.1132 29.5967 182.1695 82 C 4.6850 7.8460 110.0625 56.8509 30.6050 173.9149 83 A 3.7405 7.6233 120.5528 52.1481 16.2310 176.4090 84 G 3.9525 7.3703 108.7458 45.3422 0.0000 170.8159 85 L 4.6714 8.3535 120.2052 54.4685 42.3936 176.6014 86 S 4.8927 9.0715 118.8936 56.1219 66.5750 175.3036 87 E 3.9965 8.6029 118.4255 61.1096 29.0700 176.8138 88 R 4.0230 7.7189 116.8816 59.6634 29.9547 178.8482 89 D 4.2899 7.8160 118.5998 57.2280 40.7743 178.8599 90 I 3.5136 7.5209 119.8507 64.2027 37.2279 177.7312 91 N 4.2131 8.4570 118.1708 56.7391 38.7363 176.6909 92 L 3.9353 8.0047 121.5045 57.9728 42.1720 178.6905 93 A 3.5933 8.0992 121.1893 55.1744 18.2823 179.8549 94 S 4.1252 8.1538 113.7220 61.4638 62.8463 176.7706 95 F 4.0490 8.1314 123.4505 61.2811 39.1028 177.1750 96 I 3.7340 8.2047 119.7542 64.5636 36.8614 178.1787 97 E 4.2399 8.5163 119.2701 59.6321 29.3053 179.3868 98 Q 3.9460 7.7963 117.5497 58.8897 28.8178 179.1772 99 V 3.4534 7.5311 118.8353 65.9478 31.3871 177.8811 100 A 4.1340 8.1997 119.3630 55.2347 18.3115 179.4786 101 V 3.7243 8.0437 116.3255 66.1743 31.7638 178.2701 102 S 4.2648 8.1671 112.4145 60.7320 62.9180 174.5671 103 M 4.3412 7.6621 126.2268 55.4258 32.1034 175.5488 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 4.24 0.00 1.79 1.68 0.00 1.78 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 1.26 1.02 7.81 5 A 8.64 3.95 1.24 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 0.00 0.00 0.00 *6 H 8.53 4.88 0.00 2.89 2.80 0.00 7.21 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 R 8.47 4.39 0.00 1.81 1.85 0.00 3.36 0.00 0.00 3.42 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.80 0.00 8 L 8.82 4.44 0.00 1.51 1.57 0.89 0.93 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 9 S 9.10 4.56 0.00 3.90 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 10 A 8.90 4.05 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.04 4.07 0.00 1.99 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 1.97 0.00 12 E 7.90 4.34 0.00 1.94 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 2.32 2.36 0.00 13 R 8.39 3.95 0.00 2.04 1.99 0.00 3.18 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 14 D 7.93 4.42 0.00 2.82 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 15 Q 7.73 4.40 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.60 0.00 16 L 7.58 4.62 0.00 1.63 1.60 0.89 0.65 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 17 L 8.42 3.92 0.00 1.87 1.74 0.94 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.23 0.00 2.16 2.13 0.00 3.61 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.21 0.00 19 N 8.11 4.34 0.00 2.82 2.91 0.00 0.00 6.93 7.85 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 20 L 7.51 4.30 0.00 1.93 1.75 0.67 0.61 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 21 R 9.14 4.84 0.00 1.98 2.16 0.00 3.17 0.00 0.00 3.30 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 0.00 22 A 8.33 4.20 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 23 V 7.44 4.22 2.15 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 0.77 0.00 0.00 1.24 0.00 0.00 24 G 7.67 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 0.00 0.00 0.00 25 W 8.41 4.62 0.00 3.47 3.25 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 0.00 26 N 9.21 5.49 0.00 2.74 2.77 0.00 0.00 6.58 7.32 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 27 E 8.73 4.88 0.00 1.91 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 2.36 2.42 0.00 28 L 8.67 4.49 0.00 1.56 1.57 0.95 0.50 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 29 E 8.66 4.12 0.00 1.99 1.73 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 2.22 1.87 0.00 30 G 10.18 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 31 R 7.35 4.52 0.00 1.75 1.78 0.00 3.26 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 32 D 8.58 4.62 0.00 2.81 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 33 A 7.80 4.85 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 34 I 8.64 5.19 2.25 0.00 0.00 0.55 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 1.43 1.01 0.00 0.00 35 F 9.77 5.70 0.00 3.20 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 36 K 7.44 3.87 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.39 7.81 37 Q 7.66 4.51 0.00 1.63 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.48 0.00 0.00 0.00 0.00 0.00 1.96 2.10 0.00 38 F 9.49 4.46 0.00 2.93 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 0.00 0.00 0.00 0.00 39 H 8.53 5.33 0.00 2.84 3.12 0.00 5.66 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.93 4.74 0.00 2.75 2.91 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 41 K 8.88 4.19 0.00 1.77 1.73 0.00 1.82 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.00 7.81 42 D 7.41 4.24 0.00 2.79 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 43 F 7.76 4.18 0.00 2.79 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 N 8.20 4.06 0.00 2.81 3.06 0.00 0.00 7.22 7.65 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 45 R 8.28 3.75 0.00 1.85 1.84 0.00 3.23 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 46 A 7.36 2.73 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 47 F 8.24 3.67 0.00 1.79 2.49 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 48 G 7.56 3.45 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 49 F 7.92 4.06 0.00 2.54 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 50 M 7.61 3.73 0.00 1.14 1.28 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 1.54 0.00 51 S 7.76 3.90 0.00 3.77 3.77 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 52 R 7.74 3.95 0.00 1.96 2.03 0.00 3.11 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 53 V 7.75 3.69 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 0.81 0.00 0.00 0.35 0.00 0.00 54 A 8.54 3.96 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 55 L 7.79 3.85 0.00 1.84 1.67 0.91 0.80 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 56 Q 7.72 3.59 0.00 1.07 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 1.16 1.80 0.00 57 A 7.89 3.93 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 58 E 7.84 3.97 0.00 2.06 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 2.35 2.46 0.00 59 K 7.68 4.00 0.00 1.71 1.80 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.39 7.81 60 L 7.97 4.22 0.00 1.49 1.58 0.75 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 61 D 7.81 4.34 0.00 2.73 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 62 H 7.51 4.80 0.00 3.09 2.95 0.00 5.86 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.34 4.66 0.00 3.00 3.01 0.00 5.94 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.31 0.00 1.45 1.55 0.00 3.25 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 65 E 9.04 4.65 0.00 2.14 2.21 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 2.41 2.35 0.00 66 W 8.96 5.93 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 67 F 9.55 5.15 0.00 3.21 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 68 N 7.95 5.79 0.00 2.50 2.36 0.00 0.00 7.12 7.71 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 69 V 7.84 4.12 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 0.79 0.00 0.00 0.97 0.00 0.00 70 Y 8.94 3.64 0.00 3.13 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 71 N 9.31 4.75 0.00 2.99 2.71 0.00 0.00 5.83 7.78 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 72 K 8.20 5.05 0.00 1.83 1.78 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.73 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.02 1.36 7.81 73 V 9.21 4.96 2.50 0.00 0.00 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 1.08 0.00 0.00 74 H 9.91 5.55 0.00 3.57 3.62 0.00 5.80 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 8.79 5.29 2.29 0.00 0.00 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 1.83 1.53 1.28 0.00 0.00 76 T 9.46 5.58 4.58 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 77 L 9.09 5.10 0.00 1.55 1.71 0.55 0.49 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 78 S 8.45 4.94 0.00 3.89 3.73 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 79 T 8.74 4.72 4.38 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 1.23 0.00 0.00 80 H 9.16 4.27 0.00 3.39 3.58 0.00 5.66 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.11 3.86 0.00 2.01 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 2.23 1.87 0.00 82 C 7.85 4.69 0.00 3.01 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 83 A 7.62 3.74 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.37 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.35 4.67 0.00 1.69 1.58 0.99 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 86 S 9.07 4.89 0.00 3.99 3.89 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 0.00 0.00 0.00 87 E 8.60 4.00 0.00 2.00 2.01 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 2.32 1.98 0.00 88 R 7.72 4.02 0.00 1.51 1.47 0.00 2.97 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 89 D 7.82 4.29 0.00 2.79 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.52 3.51 1.94 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 1.64 0.81 0.84 0.00 0.00 91 N 8.46 4.21 0.00 2.75 2.87 0.00 0.00 6.91 6.70 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 92 L 8.00 3.94 0.00 1.81 1.57 0.83 0.86 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 93 A 8.10 3.59 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.15 4.13 0.00 4.02 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 95 F 8.13 4.05 0.00 3.17 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 96 I 8.20 3.73 2.35 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 1.54 0.76 1.16 0.00 0.00 97 E 8.52 4.24 0.00 2.31 2.14 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 2.94 2.75 0.00 98 Q 7.80 3.95 0.00 1.84 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.60 0.00 99 V 7.53 3.45 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 1.10 0.00 0.00 0.47 0.00 0.00 100 A 8.20 4.13 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.04 3.72 2.27 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 0.90 0.00 0.00 1.01 0.00 0.00 102 S 8.17 4.26 0.00 4.07 4.04 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 0.00 103 M 7.66 4.34 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.57 0.00 * Residues marked with a * may have inaccurate shift predictions.