NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.0702 8.1633 120.7154 55.1829 33.9264 173.7569 2 R 4.9054 9.0703 121.5239 52.0343 33.4450 169.9895 3 V 4.9924 8.7444 122.6525 59.9985 35.6387 174.0166 4 V 4.8736 9.0688 124.6349 61.4927 33.6010 174.1681 5 I 4.9557 9.1357 129.7812 59.8512 39.3279 174.6461 6 Q 5.1789 8.9567 126.4504 53.9523 31.9386 174.8143 7 R 4.5924 8.6748 124.5280 55.9513 31.3486 175.5566 8 V 5.0265 8.8609 119.2292 59.6836 35.1580 176.6798 9 K 4.3704 8.7464 122.3626 57.0381 32.8259 177.3209 10 G 4.4104 7.5879 106.1985 45.4302 0.0000 172.1528 11 A 5.2553 8.3121 122.3619 50.3547 23.2112 175.2179 12 I 4.5878 8.9241 123.6120 59.3580 40.2573 174.2866 13 L 5.0477 9.0140 130.2502 53.4843 43.9456 175.3548 14 S 5.3348 9.5876 122.1290 56.8838 67.1921 173.2748 15 V 4.8585 8.6830 114.5911 59.3036 36.0745 175.2105 16 R 4.5741 8.6420 121.3529 55.9554 29.8180 176.5575 17 K 4.0369 7.8343 126.1937 59.7205 33.4340 178.3920 *26 E 4.5342 7.9397 116.0680 54.9433 32.6624 177.0015 27 L 5.2033 7.9513 118.1953 52.3835 45.2511 175.6873 28 E 4.7759 9.1668 120.6071 54.4366 32.5493 175.0789 29 I 4.4798 8.4651 124.2624 61.3700 37.2621 175.4720 30 I 4.3907 8.6403 120.5037 61.4293 39.6563 176.0965 31 S 4.8663 7.7684 116.7026 56.8347 67.3028 172.7956 32 E 5.2833 8.4473 121.3207 55.2610 32.5028 174.0478 33 I 4.8900 8.7775 119.2879 58.1267 41.7550 176.3903 34 K 4.5720 9.2068 124.8464 55.8073 30.7660 178.8759 35 N 4.6609 8.4914 125.9432 53.6060 39.5578 173.6784 36 G 4.3772 6.9050 109.3839 45.6435 0.0000 171.9631 37 L 5.2807 8.9411 124.0612 52.9048 46.0546 175.2531 38 I 4.5684 8.4095 123.4740 59.6553 39.9507 173.8648 39 C 5.0653 8.9728 127.5317 58.0327 30.7434 173.1330 40 F 4.9756 9.3270 124.7928 56.4648 40.0757 174.8546 41 L 5.0712 9.5289 127.9056 53.3418 44.1281 175.1469 42 G 4.5672 9.7053 115.6875 45.1165 0.0000 171.9448 43 I 5.1395 8.7259 126.2266 59.8296 39.2853 175.0870 44 H 3.7322 9.7542 128.3484 54.9497 30.4275 176.2546 45 K 3.8034 7.7127 124.3494 59.5531 32.2916 177.5146 46 N 4.7817 8.1048 113.7820 52.6210 38.9052 174.5908 47 D 4.5821 7.6301 119.4779 54.8244 41.4687 176.0209 48 T 4.7547 8.8754 113.2302 59.2107 71.5188 175.0994 49 W 4.6129 8.8945 129.9807 60.5761 30.5960 177.5082 50 E 3.9368 8.3426 118.3881 59.1204 28.8000 178.7299 51 D 4.3535 8.0482 118.5584 57.1440 40.9291 178.5048 52 A 3.8409 7.9822 120.6775 55.2246 18.3859 179.1966 53 L 3.4110 7.2766 117.6964 58.0872 41.5742 179.4144 54 Y 3.8155 7.7182 118.5199 60.6532 38.7923 177.9035 55 I 3.6588 7.4798 120.7592 64.4517 37.2663 178.3363 56 I 2.8877 7.3277 120.3370 64.1757 36.9689 178.3891 57 R 3.7321 7.5205 119.2530 59.3164 29.7885 178.7295 58 K 3.8024 7.8165 118.1714 59.6509 31.8239 179.0826 59 C 4.1578 8.2306 116.0909 62.9565 28.1562 175.8902 60 L 4.2406 8.2190 120.0849 56.4272 41.1370 178.1418 61 N 4.7750 7.7519 113.4543 52.9996 40.4352 175.2199 62 L 3.9289 7.9900 119.4412 55.3540 41.8807 176.8598 63 R 4.6978 8.5739 122.9122 55.2073 28.8713 176.3880 64 L 4.9683 8.5225 120.5758 53.9325 43.6270 176.7338 65 W 4.6302 8.2229 119.5453 54.4827 31.4812 175.6135 66 N 4.7674 8.3152 118.9690 53.3832 38.7961 174.1770 67 N 4.6699 8.9849 118.9383 51.5060 39.8014 172.0230 68 D 4.3408 8.0265 121.7414 54.6088 42.3299 174.3350 69 N 4.8661 9.3966 126.3094 53.3920 37.6739 174.2813 70 K 4.6457 8.1895 117.2114 54.5818 34.5124 175.5280 71 T 4.9448 8.3104 112.3225 60.0746 71.1111 174.1999 72 W 3.9003 7.8891 119.9267 57.4491 26.5860 173.7210 73 D 4.9262 8.6547 116.9874 54.6716 43.7872 177.0335 74 K 4.9721 8.1640 116.8684 54.6386 34.9031 176.0897 75 N 5.3933 8.8328 121.4764 50.7013 40.0012 175.9547 76 V 3.3250 7.9723 118.9577 65.9994 32.0926 178.5412 77 K 3.4267 7.9035 118.8453 59.3663 32.2474 178.4733 78 D 4.2742 8.4158 118.0036 57.3858 40.6778 177.9643 79 L 3.9255 6.8814 113.9813 53.6224 41.5007 175.9727 80 N 4.3090 7.5754 115.2623 54.2352 37.6333 173.6481 81 Y 4.9064 7.9001 114.4503 56.9846 39.8312 174.4316 82 E 5.0847 8.9150 119.0062 54.8772 33.2491 175.4940 83 L 5.2511 8.7743 120.7215 52.9227 45.7463 175.3344 84 L 4.9682 8.9761 125.8043 53.4498 44.1651 174.8691 85 I 4.7399 8.2792 127.9394 59.6673 38.8517 175.3405 86 V 4.4955 8.5815 127.8303 60.7343 34.1510 174.6008 87 S 4.8129 8.7612 123.1662 58.7962 63.3424 174.0900 88 Q 4.5723 9.5423 126.1814 53.7011 29.8819 175.5898 89 F 4.5282 8.8104 119.4723 59.4462 38.5951 178.3787 90 T 3.7775 6.8868 111.0835 63.7882 68.5137 175.7762 91 L 3.9908 7.6590 121.1195 56.7720 41.6550 177.4126 92 F 4.8009 8.2350 116.4068 56.8812 39.8853 175.8039 93 G 3.4997 8.2750 107.4425 46.9390 0.0000 173.5249 94 N 4.6646 9.3860 126.8201 52.9986 39.4406 174.9315 95 T 4.6084 8.2663 115.8964 61.3483 69.3190 175.3526 96 K 4.1405 7.8167 123.8483 58.8163 32.0967 177.7457 97 K 4.1329 7.4697 119.8211 57.5174 33.5244 179.1691 98 G 4.1015 7.4064 113.8463 45.4554 0.0000 172.8038 99 N 4.5990 8.8110 118.3812 52.9733 39.8281 174.5202 100 K 4.2991 7.8003 120.1440 54.0199 32.4415 174.2238 101 P 4.7751 0.0000 0.0000 61.8430 32.2598 175.1343 102 D 4.7849 7.8393 118.4540 51.6449 42.3604 175.2612 103 F 5.2624 8.0411 116.0573 57.7508 40.1009 176.9420 104 H 4.4562 8.1216 118.6276 58.0560 29.0564 176.8855 105 L 4.0289 7.9589 120.2378 56.2751 42.4616 176.0134 106 A 4.2432 7.4654 120.4107 51.3187 19.1531 177.4280 107 K 3.9269 8.9252 123.3166 56.1858 33.0059 176.4296 108 E 3.9507 8.9336 127.7284 56.2924 30.2554 175.7122 109 P 4.3912 0.0000 0.0000 66.0846 31.2083 178.7424 110 N 4.3404 8.3719 114.8537 56.5527 38.6678 177.4096 111 E 4.0728 8.5346 119.3265 58.6612 29.5444 179.3032 112 A 4.1556 8.3363 121.6604 55.0429 18.5496 179.2873 113 L 2.6666 7.8546 118.8032 57.9532 42.0692 179.1962 114 I 3.6626 7.4068 119.7330 64.3364 37.0784 178.0770 115 F 4.2442 8.2584 121.2299 61.5396 39.2438 176.2491 116 Y 4.2144 8.8020 119.3819 61.1306 38.6424 177.9153 117 N 4.3409 8.8508 117.5047 56.4263 38.6318 177.5756 118 K 3.9642 8.2261 119.7740 59.3167 32.0641 179.4420 119 I 3.6856 7.8294 120.1483 64.5261 37.0500 178.4962 120 I 3.8278 7.7339 120.5567 64.4342 36.8263 178.1029 121 D 4.3986 8.0499 119.6371 57.5685 40.6628 178.6782 122 E 4.0121 8.3367 119.6298 59.0292 29.6311 178.4576 123 F 4.1281 8.5727 118.4599 60.9133 38.8543 177.9292 124 K 4.0654 8.1452 116.2577 59.2693 31.8708 179.0993 125 K 4.1275 8.0704 119.3192 59.6672 32.2678 178.6511 126 Q 4.2398 8.5051 117.3006 55.7547 28.7143 176.2122 127 Y 4.6770 8.6404 117.3498 57.1446 39.3859 176.3561 128 N 4.9793 8.7068 113.5357 51.8038 42.6592 173.5404 129 D 4.4619 8.5744 124.0463 55.4475 39.9447 176.6910 130 D 4.4063 8.8524 119.1499 55.7075 41.5628 176.6879 131 K 4.1315 7.5829 116.7248 56.4618 32.4266 175.5856 132 I 4.6450 7.3733 120.2845 59.7182 38.2604 175.1754 133 K 4.7034 8.9621 127.7425 54.9726 34.5482 175.7506 134 I 5.0278 8.1156 114.5720 59.7071 41.0649 174.9854 135 G 4.0956 8.0287 112.6026 44.7991 0.0000 174.4372 136 K 4.4092 8.2964 121.5038 53.9850 32.7424 174.8261 137 F 3.8718 8.6883 125.5758 59.8582 39.6415 174.0997 138 G 4.1741 8.1785 116.8856 45.7132 0.0000 173.8667 139 N 4.5997 7.5717 115.3781 52.4215 39.2170 174.3597 140 Y 4.1473 8.4687 122.0996 58.0732 39.4789 175.1594 141 M 4.7772 7.2907 125.3024 53.3676 35.9863 174.0560 142 N 4.6987 8.9850 122.0578 52.0349 41.0540 173.5170 143 I 4.8030 8.2251 126.7470 59.5618 40.0727 175.2423 144 D 4.6064 9.0317 129.1068 53.7852 41.5243 175.7577 145 V 4.5603 8.3195 124.1355 61.4960 33.6070 175.6371 146 T 4.3952 8.9608 125.9770 62.1975 68.6985 173.1865 147 N 4.7640 8.5898 124.0670 53.2876 39.3776 174.8059 148 D 4.2987 10.4195 125.6153 54.7973 40.4862 173.7495 149 G 3.5960 8.8081 116.9523 44.4978 0.0000 170.3057 150 P 4.3141 0.0000 0.0000 61.5531 32.6486 175.9352 151 V 4.4219 8.1768 118.5421 61.6307 34.2038 174.0889 152 T 5.2039 8.6936 124.5466 61.8509 71.1423 173.5724 153 I 4.6218 9.1323 127.5003 59.5199 40.3728 173.9258 154 Y 5.2431 8.6696 126.7078 55.8886 41.3542 174.6393 155 I 4.4545 7.8879 126.0399 59.3574 41.5391 173.6009 156 D 5.2255 8.2784 125.8081 52.5101 43.4884 176.7574 157 T 3.7774 8.9187 116.5844 64.3954 69.1500 175.6710 158 H 4.5847 8.4363 117.7939 56.9837 28.7314 175.2783 159 D 4.7988 7.7529 118.7108 54.0157 40.9887 176.6490 160 I 4.0529 7.4855 126.3095 61.4330 37.8563 175.1278 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 1 M 8.16 5.07 0.00 1.73 2.01 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 2 R 9.07 4.91 0.00 1.44 1.73 0.00 2.21 0.00 0.00 3.03 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 3 V 8.74 4.99 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 0.72 0.00 0.00 1.10 0.00 0.00 4 V 9.07 4.87 2.28 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 1.12 0.00 0.00 1.13 0.00 0.00 5 I 9.14 4.96 1.91 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 1.28 0.51 0.94 0.00 0.00 6 Q 8.96 5.18 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.97 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 7 R 8.67 4.59 0.00 1.62 1.62 0.00 2.21 0.00 0.00 2.42 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.70 0.00 8 V 8.86 5.03 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 0.87 0.00 0.00 0.95 0.00 0.00 9 K 8.75 4.37 0.00 1.58 1.85 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.47 1.38 7.81 10 G 7.59 4.41 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 0.00 11 A 8.31 5.26 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 12 I 8.92 4.59 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 1.11 0.71 0.91 0.00 0.00 13 L 9.01 5.05 0.00 1.65 1.61 0.90 0.62 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 14 S 9.59 5.33 0.00 3.75 3.78 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 15 V 8.68 4.86 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 0.81 0.00 0.00 1.00 0.00 0.00 16 R 8.64 4.57 0.00 1.88 1.90 0.00 3.13 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 17 K 7.83 4.04 0.00 1.91 1.86 0.00 1.65 0.00 0.00 1.85 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.58 1.39 7.81 *26 E 7.94 4.53 0.00 1.71 2.04 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 2.21 1.92 0.00 27 L 7.95 5.20 0.00 1.51 1.60 0.99 0.99 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 28 E 9.17 4.78 0.00 1.97 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 2.19 2.26 0.00 29 I 8.47 4.48 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 1.41 0.55 0.95 0.00 0.00 30 I 8.64 4.39 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 1.24 0.51 0.93 0.00 0.00 31 S 7.77 4.87 0.00 3.74 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 32 E 8.45 5.28 0.00 1.92 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 2.18 2.41 0.00 33 I 8.78 4.89 1.84 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 1.19 0.80 0.88 0.00 0.00 34 K 9.21 4.57 0.00 1.64 1.08 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.50 7.81 35 N 8.49 4.66 0.00 1.44 1.49 0.00 0.00 6.70 8.03 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 36 G 6.90 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 0.00 0.00 0.00 0.00 37 L 8.94 5.28 0.00 1.60 1.56 1.09 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.41 4.57 1.74 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 1.38 0.88 0.00 0.00 39 C 8.97 5.07 0.00 2.74 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 40 F 9.33 4.98 0.00 2.97 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 41 L 9.53 5.07 0.00 1.85 1.80 1.18 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 42 G 9.71 4.57 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 0.00 0.00 0.00 43 I 8.73 5.14 2.14 0.00 0.00 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 1.70 1.27 1.05 0.00 0.00 44 H 9.75 3.73 0.00 3.08 3.34 0.00 5.60 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.71 3.80 0.00 1.82 1.79 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.26 1.30 7.81 46 N 8.10 4.78 0.00 2.79 2.88 0.00 0.00 6.92 8.06 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 47 D 7.63 4.58 0.00 2.49 2.40 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 48 T 8.88 4.75 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 1.27 0.00 0.00 49 W 8.89 4.61 0.00 3.49 3.22 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 50 E 8.34 3.94 0.00 2.07 1.99 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 2.49 2.39 0.00 51 D 8.05 4.35 0.00 3.05 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 52 A 7.98 3.84 0.67 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 0.00 0.00 53 L 7.28 3.41 0.00 1.48 1.55 0.28 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 7.72 3.82 0.00 3.14 3.04 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 55 I 7.48 3.66 1.97 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.74 1.00 0.00 0.00 56 I 7.33 2.89 1.47 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.29 0.19 0.00 0.00 57 R 7.52 3.73 0.00 1.90 1.73 0.00 3.01 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 58 K 7.82 3.80 0.00 1.76 1.69 0.00 1.57 0.00 0.00 1.43 0.00 0.00 2.53 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.70 1.01 7.81 59 C 8.23 4.16 0.00 3.36 3.22 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 60 L 8.22 4.24 0.00 1.67 1.62 1.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 61 N 7.75 4.77 0.00 2.78 2.79 0.00 0.00 7.01 7.22 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 62 L 7.99 3.93 0.00 1.81 1.65 0.90 0.77 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 63 R 8.57 4.70 0.00 2.05 2.06 0.00 3.11 0.00 0.00 3.39 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.87 0.00 64 L 8.52 4.97 0.00 1.02 1.36 0.84 1.13 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 65 W 8.22 4.63 0.00 3.44 2.96 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 0.00 0.00 0.00 66 N 8.32 4.77 0.00 2.77 2.74 0.00 0.00 6.44 6.92 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 67 N 8.98 4.67 0.00 2.69 2.77 0.00 0.00 7.09 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 68 D 8.03 4.34 0.00 2.66 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 N 9.40 4.87 0.00 2.75 3.26 0.00 0.00 6.97 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 70 K 8.19 4.65 0.00 1.91 1.69 0.00 1.93 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.34 7.81 71 T 8.31 4.94 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 1.16 0.00 0.00 72 W 7.89 3.90 0.00 3.42 3.36 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 0.00 73 D 8.65 4.93 0.00 2.68 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 74 K 8.16 4.97 0.00 1.76 1.61 0.00 1.66 0.00 0.00 1.86 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.30 7.81 75 N 8.83 5.39 0.00 3.06 3.26 0.00 0.00 6.50 7.03 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 76 V 7.97 3.33 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 1.23 0.00 0.00 1.19 0.00 0.00 77 K 7.90 3.43 0.00 1.73 1.51 0.00 1.53 0.00 0.00 1.55 0.00 0.00 2.98 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.30 1.08 7.81 78 D 8.42 4.27 0.00 2.65 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 79 L 6.88 3.93 0.00 0.27 0.13 0.16 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 80 N 7.58 4.31 0.00 2.80 2.86 0.00 0.00 7.15 7.05 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 81 Y 7.90 4.91 0.00 2.66 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 82 E 8.91 5.08 0.00 1.92 1.82 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 2.21 2.28 0.00 83 L 8.77 5.25 0.00 1.44 1.32 1.12 0.47 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 84 L 8.98 4.97 0.00 1.63 1.40 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.28 4.74 1.77 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.36 0.96 0.00 0.00 86 V 8.58 4.50 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 0.83 0.00 0.00 0.77 0.00 0.00 87 S 8.76 4.81 0.00 3.64 3.30 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 88 Q 9.54 4.57 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.48 2.73 0.00 89 F 8.81 4.53 0.00 3.33 3.30 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 90 T 6.89 3.78 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 0.20 0.00 0.00 91 L 7.66 3.99 0.00 1.63 1.51 1.08 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 92 F 8.24 4.80 0.00 3.27 3.17 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 93 G 8.28 3.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 N 9.39 4.66 0.00 2.79 2.97 0.00 0.00 6.34 7.86 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 95 T 8.27 4.61 4.19 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 1.19 0.00 0.00 96 K 7.82 4.14 0.00 1.87 1.88 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.34 7.81 97 K 7.47 4.13 0.00 1.67 1.69 0.00 1.59 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.48 7.81 98 G 7.41 4.10 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 0.00 0.00 0.00 99 N 8.81 4.60 0.00 2.70 2.85 0.00 0.00 6.63 7.61 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 0.00 100 K 7.80 4.30 0.00 1.70 1.71 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.43 7.81 101 P 0.00 4.78 0.00 1.50 1.83 0.00 3.38 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.95 0.00 102 D 7.84 4.78 0.00 2.59 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.04 5.26 0.00 3.26 3.38 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 0.00 104 H 8.12 4.46 0.00 3.17 3.35 0.00 5.67 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.96 4.03 0.00 1.80 1.75 0.94 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.47 4.24 1.54 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 0.00 0.00 107 K 8.93 3.93 0.00 1.85 1.77 0.00 1.74 0.00 0.00 1.47 0.00 0.00 2.73 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.52 1.33 7.81 108 E 8.93 3.95 0.00 2.05 1.82 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 2.38 2.31 0.00 109 P 0.00 4.39 0.00 2.23 2.18 0.00 3.64 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 110 N 8.37 4.34 0.00 3.20 2.87 0.00 0.00 6.98 7.56 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 0.00 111 E 8.53 4.07 0.00 2.04 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 2.34 2.50 0.00 112 A 8.34 4.16 1.71 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 0.00 0.00 113 L 7.85 2.67 0.00 0.86 1.61 0.27 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.41 3.66 1.93 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 1.40 0.80 0.94 0.00 0.00 115 F 8.26 4.24 0.00 3.33 3.40 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 0.00 116 Y 8.80 4.21 0.00 3.31 3.16 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 0.00 117 N 8.85 4.34 0.00 2.96 2.87 0.00 0.00 7.11 6.97 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 0.00 118 K 8.23 3.96 0.00 1.93 1.55 0.00 1.61 0.00 0.00 1.24 0.00 0.00 2.74 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.26 1.55 7.81 119 I 7.83 3.69 1.97 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 1.22 0.37 0.99 0.00 0.00 120 I 7.73 3.83 1.91 0.00 0.00 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 1.10 0.62 0.89 0.00 0.00 121 D 8.05 4.40 0.00 2.93 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 0.00 122 E 8.34 4.01 0.00 2.44 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 2.26 2.27 0.00 123 F 8.57 4.13 0.00 3.33 3.04 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 0.00 124 K 8.15 4.07 0.00 1.95 1.90 0.00 1.72 0.00 0.00 1.63 0.00 0.00 3.13 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.61 7.81 125 K 8.07 4.13 0.00 1.95 2.00 0.00 1.83 0.00 0.00 1.85 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.50 7.81 126 Q 8.51 4.24 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.55 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 127 Y 8.64 4.68 0.00 2.99 2.66 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 0.00 128 N 8.71 4.98 0.00 2.34 1.77 0.00 0.00 6.65 8.49 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 0.00 129 D 8.57 4.46 0.00 2.79 2.76 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 0.00 130 D 8.85 4.41 0.00 2.53 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 0.00 131 K 7.58 4.13 0.00 1.08 1.59 0.00 1.81 0.00 0.00 1.54 0.00 0.00 2.77 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.99 0.70 7.81 132 I 7.37 4.65 1.84 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.01 0.77 0.00 0.00 133 K 8.96 4.70 0.00 1.60 1.69 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.66 7.81 134 I 8.12 5.03 2.10 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.73 0.96 0.00 0.00 135 G 8.03 4.10 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 0.00 0.00 0.00 136 K 8.30 4.41 0.00 1.78 1.79 0.00 1.77 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.35 7.81 137 F 8.69 3.87 0.00 2.76 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 G 8.18 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 0.00 139 N 7.57 4.60 0.00 2.95 2.81 0.00 0.00 6.99 7.58 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 0.00 140 Y 8.47 4.15 0.00 2.94 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 0.00 141 M 7.29 4.78 0.00 1.74 1.71 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.43 0.00 142 N 8.99 4.70 0.00 2.89 2.69 0.00 0.00 6.81 7.36 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 0.00 143 I 8.23 4.80 1.92 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 1.32 0.75 0.97 0.00 0.00 144 D 9.03 4.61 0.00 2.61 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 V 8.32 4.56 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 0.86 0.00 0.00 1.02 0.00 0.00 146 T 8.96 4.40 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 1.21 0.00 0.00 147 N 8.59 4.76 0.00 2.62 2.78 0.00 0.00 7.00 8.06 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 0.00 148 D 10.42 4.30 0.00 2.65 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 0.00 149 G 8.81 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 P 0.00 4.31 0.00 2.21 2.07 0.00 3.72 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.95 0.00 151 V 8.18 4.42 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 1.22 0.00 0.00 0.93 0.00 0.00 152 T 8.69 5.20 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 1.27 0.00 0.00 153 I 9.13 4.62 1.90 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.99 0.91 0.00 0.00 154 Y 8.67 5.24 0.00 2.93 2.81 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 0.00 0.00 0.00 0.00 155 I 7.89 4.45 1.78 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.64 1.03 0.00 0.00 156 D 8.28 5.23 0.00 2.66 2.66 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 0.00 157 T 8.92 3.78 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 1.36 0.00 0.00 158 H 8.44 4.58 0.00 3.30 3.34 0.00 5.64 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 7.75 4.80 0.00 2.75 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 0.00 160 I 7.49 4.05 1.51 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.30 0.50 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.