NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3065 8.2649 123.5857 52.0383 19.5146 176.6899 3 R 4.2514 7.7786 120.5008 55.4391 32.0584 174.7925 4 I 4.4054 8.2661 125.7732 60.3297 36.2167 176.7376 5 A 3.8482 7.9073 129.4609 55.9671 18.2110 181.0294 6 G 4.0389 7.6819 102.7645 42.8172 0.0000 175.1661 7 V 3.7994 8.2787 115.2855 63.6863 31.0542 175.4195 8 E 4.5031 9.0024 119.6405 55.0473 30.4404 175.7426 9 I 4.8923 8.0507 122.8296 59.0052 40.0103 173.0748 10 P 4.2803 0.0000 0.0000 63.8888 31.7552 178.0515 11 R 4.0482 7.7280 114.6591 55.3421 30.0497 176.9727 12 N 3.8808 7.2004 117.1717 54.4007 37.3186 172.5707 13 K 4.6526 8.5117 116.4577 53.6985 37.3246 176.4312 14 R 4.2233 8.3165 118.5742 56.9546 31.3656 178.3227 15 V 3.8971 7.9100 114.5959 63.2165 31.6755 178.2912 16 D 4.4814 8.0884 117.4596 54.9426 39.5837 177.2901 17 V 3.9629 7.3779 118.6408 64.8524 32.7607 176.8578 18 A 3.5576 7.5043 120.4009 55.4348 18.1609 179.4220 19 L 3.9230 7.5734 116.2188 58.4073 41.4320 179.7890 20 T 4.5435 7.6402 116.2994 66.1373 68.4276 175.0559 21 Y 4.4998 7.7399 113.3762 58.9321 37.6084 175.5234 22 I 4.8069 7.8477 122.3325 58.4374 38.5952 174.1697 23 Y 4.0825 8.8390 127.3032 60.8088 38.5048 175.7818 24 G 3.7624 8.2888 116.4513 45.2781 0.0000 172.9373 25 I 4.0166 8.7148 123.2256 59.2889 38.9797 175.3213 26 G 4.4151 7.8711 114.2767 43.2122 0.0000 173.1869 27 K 4.0331 8.4094 118.0190 58.9035 31.9280 177.7318 28 A 4.2092 7.8437 121.1136 54.6086 18.8699 179.0218 29 R 4.0869 7.8558 114.6315 59.2355 29.9754 178.7648 30 A 4.0039 8.0703 120.4194 55.5331 17.8901 179.9460 31 K 4.1066 7.7872 115.9072 59.1403 32.1834 179.4036 32 E 4.0813 8.3751 119.8868 59.0355 29.6628 178.3866 33 A 4.6971 8.9462 120.6133 54.4041 18.4215 179.6076 34 L 4.0325 7.6059 117.1486 57.6310 42.0294 179.0657 35 E 3.9825 7.8587 116.6872 60.1813 29.2462 178.3427 36 K 3.6830 7.9536 117.7919 59.6336 31.9988 178.2341 37 T 3.8943 8.0813 114.8599 62.1555 70.3788 174.2899 38 G 3.9799 7.4855 109.5700 46.7953 0.0000 173.1191 39 I 4.4981 7.9930 116.8509 58.9917 40.2409 175.7410 40 N 4.2997 8.8146 123.5748 53.3841 39.2189 173.2406 41 P 4.1636 0.0000 0.0000 65.9082 31.8491 178.2427 42 A 3.8884 8.2287 119.5364 55.0734 18.2367 178.0482 43 T 3.9470 7.0578 105.3174 62.4500 69.0243 174.4459 44 R 4.3157 8.6388 124.5608 55.8586 31.0237 177.6343 45 V 3.7795 8.2214 122.1239 66.0447 31.5942 177.3838 46 K 4.0756 8.3069 119.7982 58.3092 32.1084 176.3566 47 D 4.7242 8.3609 117.4179 52.7065 41.8738 173.4442 48 L 4.6501 7.9607 121.1624 52.7781 45.9496 176.5113 49 T 3.9179 8.9933 120.4968 64.2395 68.7803 175.0761 50 E 4.1011 8.8933 124.1741 58.5789 29.3216 179.1672 51 A 3.9481 7.7991 121.2111 54.6501 19.1423 178.7697 52 E 3.8993 8.1517 116.0267 60.0882 29.6416 179.2372 53 V 3.5078 8.1630 117.7013 67.0523 31.3173 177.9199 54 V 3.5739 7.7880 117.5404 66.0314 31.3507 178.4017 55 R 3.3768 8.6957 119.3691 59.4697 30.2233 177.7195 56 L 4.2528 8.4870 121.1513 57.6928 42.2272 178.6380 57 R 3.7584 8.2725 115.9527 59.6747 27.7496 178.3465 58 E 4.0722 9.0960 119.9060 59.0129 29.1185 178.4429 59 Y 4.3261 8.4741 119.3205 60.5483 39.4909 176.8575 60 V 3.3989 7.9709 117.7321 66.8834 30.8372 177.4809 61 E 4.0033 8.7557 117.2014 59.6698 29.5324 179.1260 62 N 4.5814 7.4517 111.0348 54.0303 38.9234 176.2519 63 T 4.4450 7.6952 115.3710 61.6365 68.8561 177.6888 64 W 4.3768 7.7439 126.6680 57.2316 28.4062 175.6053 65 K 4.4762 8.5135 119.7524 56.5016 33.7313 176.6230 66 L 4.9226 7.6225 120.2998 54.6696 44.4120 175.3493 67 E 3.3818 8.3980 118.5164 55.8594 31.5348 176.3663 68 G 3.8768 8.2084 109.0309 46.8937 0.0000 174.2261 69 E 4.2874 8.3104 121.4880 52.8641 28.3796 176.0434 70 L 5.0728 7.3760 134.6781 55.2446 43.3371 175.1514 71 R 3.8434 7.4643 117.6571 59.5225 30.0612 178.2832 72 A 3.9750 8.4188 120.4081 55.1562 18.4624 178.8763 73 E 3.7708 8.1186 117.5700 59.7117 29.6266 178.8096 74 V 3.5233 8.5697 118.4236 66.2872 31.4853 177.5253 75 A 3.9472 7.5944 118.2325 55.3855 18.0403 179.0953 76 A 3.9597 8.0762 117.9414 56.0685 18.0627 179.0864 77 N 4.3022 8.6523 114.8873 56.3668 38.6050 177.3243 78 I 3.8328 8.0608 120.7129 64.9272 37.2936 178.5609 79 K 4.0298 8.5458 119.2708 59.2138 31.8809 179.3795 80 R 3.8875 9.2702 119.7312 58.9998 30.0197 177.8416 81 L 4.3365 7.8775 117.4354 56.0038 41.4428 177.6825 82 M 4.5885 7.5632 118.6620 53.6446 33.0391 176.6847 83 D 5.0127 8.1376 125.8997 52.9246 38.8237 178.4132 84 I 3.6404 8.6389 117.6481 63.8407 36.9473 174.5383 85 G 3.8596 8.8728 110.7762 45.4631 0.0000 173.7524 86 C 4.5871 8.3784 122.3655 56.2173 32.7804 173.7482 87 Y 4.1580 8.4445 120.6028 61.1745 38.4711 177.8967 88 R 4.0184 8.3515 118.4772 59.8229 29.9112 178.2817 89 G 4.3445 8.0338 104.3471 47.5024 0.0000 175.0925 90 L 3.4291 9.3655 117.8652 56.8521 41.6332 182.9671 91 R 3.3790 6.4060 116.9264 58.5827 32.3560 178.3887 92 H 4.0350 8.1471 112.4899 59.2870 28.6697 178.1247 93 R 3.8890 8.7864 119.2360 59.2385 29.9230 178.5300 94 R 4.2943 7.8543 115.6259 56.2498 30.7267 177.4545 95 G 3.8734 8.2314 106.5871 44.9899 0.0000 173.3116 96 L 4.4059 7.2839 119.8880 52.1954 43.0963 174.5336 97 P 4.2930 0.0000 0.0000 63.1168 31.7162 176.7381 98 V 3.6814 8.2665 121.6892 65.6876 32.0283 177.1413 99 R 3.9454 8.1467 119.4222 57.4076 28.0824 176.3257 100 G 3.7418 7.6151 101.0553 46.5337 0.0000 171.3738 101 Q 4.2371 8.0278 129.6757 54.5608 31.9524 174.7655 102 R 4.4279 8.5243 120.6158 56.0403 29.7758 176.8360 103 T 4.7366 8.1717 117.9685 61.9383 69.5710 175.8214 104 R 4.5485 8.0734 122.4338 57.2988 32.1765 175.4314 105 T 4.7250 7.5777 103.5149 60.8976 70.8563 173.7045 106 N 4.2180 7.7975 120.9415 56.3481 44.1204 175.3185 107 A 3.8249 8.8276 128.9901 53.6273 15.8631 179.8574 108 R 4.0364 7.9759 117.4568 60.0147 30.3031 178.0500 109 T 4.1477 7.8202 113.8309 65.4981 68.8399 175.6895 110 R 4.2978 7.9837 118.0966 55.9962 30.9541 175.9371 111 K 4.5019 7.6891 118.1182 53.8910 34.5435 175.2628 112 G 3.6647 8.6907 111.4072 44.9463 0.0000 171.4432 113 P 3.7554 0.0000 0.0000 63.2807 30.2336 177.4765 114 R 3.4305 7.1145 121.2539 55.9917 26.6315 176.3951 115 K 4.3961 8.1029 123.1478 54.1518 32.0909 175.9940 116 T 3.9693 8.0542 123.4554 64.4500 69.3133 173.6653 117 V 4.1618 8.0261 121.2064 63.1012 34.9616 175.9928 118 A 3.6617 7.9743 127.8055 52.8825 19.3713 175.2103 119 G 3.8284 8.0381 101.6866 46.0234 0.0000 175.8016 120 K 3.9365 8.0742 119.4210 54.7687 31.2095 177.2987 121 K 3.5286 7.4584 116.5081 58.2350 31.8093 173.4358 122 K 4.0725 7.7550 114.5582 56.6476 34.0654 174.2471 123 A 4.1078 9.1600 122.7970 53.2992 18.9920 176.4095 124 P 4.3025 0.0000 0.0000 61.8715 34.0638 178.1973 125 R 4.5913 8.3742 131.1626 55.7685 33.3856 175.7866 *126 K 4.1215 8.5118 119.0440 55.4051 32.4047 171.4545 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 A 8.26 4.31 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 3 R 7.78 4.25 0.00 1.91 1.91 0.00 3.21 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 4 I 8.27 4.41 1.90 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 1.26 0.71 0.95 0.00 0.00 5 A 7.91 3.85 1.26 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 0.00 0.00 0.00 6 G 7.68 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 0.00 0.00 0.00 7 V 8.28 3.80 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 0.83 0.00 0.00 0.93 0.00 0.00 8 E 9.00 4.50 0.00 2.02 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 2.30 2.29 0.00 9 I 8.05 4.89 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.60 0.97 0.00 0.00 10 P 0.00 4.28 0.00 2.13 2.18 0.00 3.94 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.95 0.00 11 R 7.73 4.05 0.00 2.02 2.23 0.00 3.22 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 12 N 7.20 3.88 0.00 2.75 2.84 0.00 0.00 6.72 6.68 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 13 K 8.51 4.65 0.00 1.86 1.59 0.00 1.74 0.00 0.00 1.62 0.00 0.00 3.10 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.42 7.81 14 R 8.32 4.22 0.00 1.81 1.99 0.00 3.10 0.00 0.00 3.32 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 15 V 7.91 3.90 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 1.02 0.00 0.00 1.05 0.00 0.00 16 D 8.09 4.48 0.00 2.81 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 17 V 7.38 3.96 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 0.94 0.00 0.00 0.87 0.00 0.00 18 A 7.50 3.56 1.27 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 0.00 0.00 19 L 7.57 3.92 0.00 1.66 1.74 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.64 4.54 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 1.29 0.00 0.00 21 Y 7.74 4.50 0.00 3.08 2.93 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 0.00 0.00 0.00 22 I 7.85 4.81 2.01 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 2.06 0.94 0.00 0.00 23 Y 8.84 4.08 0.00 2.97 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 24 G 8.29 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 I 8.71 4.02 2.06 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 0.99 0.91 0.88 0.00 0.00 26 G 7.87 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 0.00 0.00 0.00 0.00 27 K 8.41 4.03 0.00 1.85 1.79 0.00 1.58 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.55 7.81 28 A 7.84 4.21 1.27 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 0.00 0.00 29 R 7.86 4.09 0.00 1.58 1.76 0.00 2.28 0.00 0.00 2.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.33 0.00 30 A 8.07 4.00 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 31 K 7.79 4.11 0.00 1.69 1.90 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.57 7.81 32 E 8.38 4.08 0.00 2.20 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 0.00 2.47 2.43 0.00 33 A 8.95 4.70 1.64 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 0.00 0.00 34 L 7.61 4.03 0.00 2.00 1.87 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 35 E 7.86 3.98 0.00 2.22 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 0.00 2.60 2.34 0.00 36 K 7.95 3.68 0.00 1.67 0.95 0.00 1.34 0.00 0.00 1.59 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.62 1.62 7.81 37 T 8.08 3.89 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 1.34 0.00 0.00 38 G 7.49 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 39 I 7.99 4.50 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.93 0.92 0.00 0.00 40 N 8.81 4.30 0.00 2.79 2.72 0.00 0.00 7.22 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 41 P 0.00 4.16 0.00 2.21 2.08 0.00 3.69 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 42 A 8.23 3.89 1.29 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 0.00 0.00 43 T 7.06 3.95 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 44 R 8.64 4.32 0.00 1.76 1.96 0.00 3.23 0.00 0.00 3.29 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.57 0.00 45 V 8.22 3.78 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 0.70 0.00 0.00 0.92 0.00 0.00 46 K 8.31 4.08 0.00 1.83 1.83 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.53 7.81 47 D 8.36 4.72 0.00 2.57 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 48 L 7.96 4.65 0.00 1.58 1.53 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.99 3.92 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 1.27 0.00 0.00 50 E 8.89 4.10 0.00 1.98 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 2.41 2.33 0.00 51 A 7.80 3.95 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 52 E 8.15 3.90 0.00 2.14 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 2.41 2.40 0.00 53 V 8.16 3.51 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 1.01 0.00 0.00 0.99 0.00 0.00 54 V 7.79 3.57 2.20 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 0.96 0.00 0.00 1.03 0.00 0.00 55 R 8.70 3.38 0.00 1.81 2.13 0.00 3.31 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 56 L 8.49 4.25 0.00 1.89 1.96 1.00 1.00 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 57 R 8.27 3.76 0.00 2.13 2.23 0.00 2.87 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.82 0.00 58 E 9.10 4.07 0.00 2.18 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 2.49 2.51 0.00 59 Y 8.47 4.33 0.00 2.79 3.24 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 60 V 7.97 3.40 2.12 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 1.08 0.00 0.00 1.06 0.00 0.00 61 E 8.76 4.00 0.00 2.15 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 2.37 2.50 0.00 62 N 7.45 4.58 0.00 2.85 2.89 0.00 0.00 7.05 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 63 T 7.70 4.44 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 0.43 0.00 0.00 64 W 7.74 4.38 0.00 3.27 3.23 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 0.00 65 K 8.51 4.48 0.00 2.01 1.90 0.00 1.65 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.57 7.81 66 L 7.62 4.92 0.00 1.61 1.92 1.07 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.40 3.38 0.00 1.97 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 0.00 2.32 2.30 0.00 68 G 8.21 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.31 4.29 0.00 1.92 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 2.36 0.00 70 L 7.38 5.07 0.00 1.83 1.74 1.05 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 71 R 7.46 3.84 0.00 1.25 1.78 0.00 3.11 0.00 0.00 3.06 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.66 0.00 72 A 8.42 3.98 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 73 E 8.12 3.77 0.00 2.05 2.12 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 2.40 2.42 0.00 74 V 8.57 3.52 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 0.99 0.00 0.00 1.06 0.00 0.00 75 A 7.59 3.95 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 76 A 8.08 3.96 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 77 N 8.65 4.30 0.00 2.98 2.83 0.00 0.00 6.99 7.23 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 78 I 8.06 3.83 1.97 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 1.47 0.83 0.77 0.00 0.00 79 K 8.55 4.03 0.00 1.86 1.84 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.54 7.81 80 R 9.27 3.89 0.00 1.87 1.99 0.00 3.09 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 81 L 7.88 4.34 0.00 1.86 1.70 0.91 0.86 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 82 M 7.56 4.59 0.00 1.94 2.14 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.88 0.00 83 D 8.14 5.01 0.00 2.82 1.95 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 84 I 8.64 3.64 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 1.35 0.81 0.92 0.00 0.00 85 G 8.87 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 C 8.38 4.59 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 87 Y 8.44 4.16 0.00 3.05 3.05 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 88 R 8.35 4.02 0.00 1.91 2.03 0.00 3.26 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.83 0.00 89 G 8.03 4.34 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 0.00 90 L 9.37 3.43 0.00 1.64 1.50 0.97 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 91 R 6.41 3.38 0.00 1.99 1.87 0.00 3.06 0.00 0.00 3.07 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.24 0.00 92 H 8.15 4.04 0.00 3.36 3.35 0.00 5.83 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 93 R 8.79 3.89 0.00 1.72 2.01 0.00 3.14 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 94 R 7.85 4.29 0.00 1.88 1.95 0.00 3.35 0.00 0.00 3.22 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 95 G 8.23 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 0.00 0.00 0.00 96 L 7.28 4.41 0.00 1.59 1.58 0.90 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 97 P 0.00 4.29 0.00 2.15 2.03 0.00 3.72 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 98 V 8.27 3.68 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 0.86 0.00 0.00 0.72 0.00 0.00 99 R 8.15 3.95 0.00 1.85 1.90 0.00 3.26 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 100 G 7.62 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 0.00 101 Q 8.03 4.24 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.92 0.00 0.00 0.00 0.00 0.00 2.21 2.55 0.00 102 R 8.52 4.43 0.00 1.82 1.82 0.00 3.17 0.00 0.00 3.39 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 103 T 8.17 4.74 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 1.21 0.00 0.00 104 R 8.07 4.55 0.00 1.75 1.93 0.00 3.18 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 1.49 1.57 0.00 105 T 7.58 4.72 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 0.00 106 N 7.80 4.22 0.00 2.75 2.57 0.00 0.00 7.04 7.23 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 0.00 107 A 8.83 3.82 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 0.00 108 R 7.98 4.04 0.00 1.78 2.02 0.00 3.25 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 109 T 7.82 4.15 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 1.20 0.00 0.00 110 R 7.98 4.30 0.00 1.77 2.14 0.00 3.07 0.00 0.00 3.13 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 111 K 7.69 4.50 0.00 1.76 1.67 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.39 7.81 112 G 8.69 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 P 0.00 3.76 0.00 2.06 2.02 0.00 3.68 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 2.02 2.16 0.00 114 R 7.11 3.43 0.00 1.85 2.09 0.00 3.16 0.00 0.00 3.27 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 115 K 8.10 4.40 0.00 1.82 1.81 0.00 1.61 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.41 7.81 116 T 8.05 3.97 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 0.00 117 V 8.03 4.16 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 0.81 0.00 0.00 0.99 0.00 0.00 118 A 7.97 3.66 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 0.00 119 G 8.04 3.83 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 0.00 0.00 0.00 120 K 8.07 3.94 0.00 1.92 2.00 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.51 7.81 121 K 7.46 3.53 0.00 1.85 1.81 0.00 1.63 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.40 7.81 122 K 7.75 4.07 0.00 1.78 1.73 0.00 1.46 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.17 1.35 7.81 123 A 9.16 4.11 1.27 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 0.00 0.00 124 P 0.00 4.30 0.00 2.09 1.30 0.00 3.62 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.16 0.00 125 R 8.37 4.59 0.00 1.74 1.83 0.00 3.40 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 *126 K 8.51 4.12 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.