NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.1384 8.3144 121.7921 56.3474 33.3955 174.6958 *4 N 4.6706 8.4991 117.2800 52.5360 40.5208 174.2532 5 V 4.0930 7.1851 117.4531 60.5040 33.4931 175.1780 6 E 3.8908 8.8105 128.2140 59.6937 29.5787 179.3046 7 S 4.3129 7.9821 113.0274 61.0216 62.8613 175.4113 8 F 4.8171 7.8519 119.5611 58.9789 38.8523 175.9195 9 N 4.8254 8.2197 115.4782 52.0531 39.3409 174.3543 10 L 4.2784 7.2919 123.4200 53.9236 43.1490 176.0004 11 D 4.6659 8.5105 125.7238 53.3843 40.0119 176.0434 12 H 4.2728 8.8738 124.4915 58.5525 28.9203 177.1150 13 T 4.1774 7.9102 107.6346 62.9068 68.8906 175.1963 14 K 4.4380 7.8367 120.2173 56.3670 33.4126 176.9051 15 V 3.9378 7.5501 111.9853 60.5231 32.3553 175.7711 16 K 4.5616 8.6903 123.4927 54.2999 32.6545 175.7608 17 A 4.5660 9.8825 129.6155 51.3419 19.0303 175.0150 18 P 4.9470 0.0000 0.0000 62.7038 33.3098 174.3250 19 Y 5.0381 8.0131 118.0186 56.5298 42.0612 173.3346 20 V 4.8184 9.2030 119.8140 61.4364 33.7483 174.3923 21 R 4.8466 9.3614 129.1790 54.4479 32.8604 175.1786 22 I 4.2704 8.6590 126.2965 61.6269 36.1677 175.3751 23 A 4.3296 9.0318 130.6987 54.1632 19.4159 176.8638 24 D 4.4154 7.3443 111.3357 53.6906 44.6551 175.0020 25 R 5.0293 8.6501 122.7201 54.3886 33.3701 174.7254 26 K 4.6356 9.3657 123.6120 54.2658 35.6685 174.9688 27 K 4.9101 8.5805 125.4649 54.3476 34.2978 176.1429 28 G 3.9146 9.4687 117.3827 44.6867 0.0000 174.6229 29 V 3.5524 8.2814 118.6606 64.6447 31.1680 176.9357 30 N 4.5415 8.0800 114.8335 53.3094 38.5851 175.7864 31 G 4.0018 8.2064 108.1500 44.8912 0.0000 173.9648 32 D 4.5409 7.8553 120.0127 54.2810 42.2848 174.7695 33 L 5.0171 8.5000 124.0955 53.5293 44.6673 174.7366 34 I 4.9306 9.2391 127.7006 59.5100 39.9774 174.6742 35 V 4.7644 8.6733 126.4417 60.7922 34.8432 173.9285 36 K 5.0431 8.8784 127.9371 54.7845 35.1683 174.1030 37 Y 5.3245 9.4190 124.7985 56.4138 41.3624 174.4471 38 D 4.6734 9.6390 124.9860 53.3901 42.0993 175.2818 39 V 4.5659 8.4810 120.9027 59.6936 32.6350 174.6483 40 R 4.2238 8.1138 127.1518 55.8775 30.2865 176.5875 41 F 4.3545 9.1607 126.0273 59.5233 39.7489 176.5014 42 K 4.7408 7.8639 115.5743 54.1117 34.9338 176.1734 43 Q 4.0503 8.5952 124.2976 55.2271 29.4468 173.6755 44 P 4.3552 0.0000 0.0000 64.5596 31.6276 175.5494 45 N 4.3471 9.1052 118.2974 54.0422 36.0894 174.9237 46 R 4.5226 7.8753 116.9388 56.3521 32.4321 174.4313 47 D 4.5809 7.3921 114.7161 54.4479 44.9249 174.6258 48 H 4.4777 7.7671 122.0281 55.9130 33.8589 175.4335 *50 D 4.5787 8.0510 118.1252 52.5979 39.8654 175.6130 *52 P 4.3330 0.0000 0.0000 62.4577 33.3248 178.7199 53 S 4.1319 7.8756 113.2362 61.2427 62.7306 176.4386 54 L 3.9767 7.9985 123.1128 58.5021 41.7149 178.4788 55 H 4.2865 8.1738 117.6363 59.5520 29.7292 177.2182 56 S 4.1311 8.0831 116.9014 61.2891 62.7307 176.3458 57 L 3.9440 8.2653 123.0208 57.5442 41.7515 178.7531 58 E 4.2048 8.2187 119.3112 59.5901 29.6881 178.3867 59 H 4.1990 8.0602 116.2205 58.8539 28.7381 177.6710 60 L 3.8992 8.0059 120.7511 57.9959 41.4724 179.9533 61 V 3.1248 7.6175 117.7527 65.5006 31.0216 177.7686 62 A 3.8108 7.4070 119.6277 55.1117 16.9379 179.0240 63 E 3.9537 8.1132 117.6083 59.4869 29.7869 179.1056 64 I 3.8334 7.8269 120.1509 64.2544 37.2010 178.0766 65 I 3.7597 7.7484 121.2358 63.4360 37.5007 177.4633 66 R 4.2320 6.9863 115.3086 56.8993 29.7504 177.4095 67 N 4.5392 8.2225 117.4204 54.7114 39.2991 175.9930 68 H 4.6529 7.8217 114.8364 54.9470 29.5122 174.9182 69 A 4.3046 7.0095 123.7206 50.5106 21.8044 176.0876 70 N 4.6567 8.4241 118.4805 53.2014 38.3874 174.9000 71 Y 4.7870 6.5786 116.8341 56.9420 39.6041 174.9561 72 V 4.1612 7.5988 120.4190 63.4424 31.7241 175.6205 73 V 4.1664 9.2756 128.7923 64.9477 32.5704 175.2210 74 D 4.7722 7.7986 116.9961 53.2015 44.8073 174.3991 75 W 5.5064 8.5550 132.7189 56.2600 33.1028 174.1491 76 S 4.9017 8.7739 123.6099 55.3516 66.0411 172.6858 77 P 4.4799 0.0000 0.0000 62.5733 30.7606 178.3282 *79 G 3.9059 8.6664 102.6715 45.3509 0.0000 173.1855 80 C 4.2586 7.9144 112.7144 58.2012 29.9611 174.0626 81 Q 3.2160 7.3860 116.9348 57.1227 26.6439 174.1397 82 T 4.3145 6.8862 106.3487 61.3661 69.8312 173.7836 83 G 4.0280 6.6262 106.9277 46.1896 0.0000 172.4329 84 F 4.7416 8.1778 116.8068 55.7461 43.6093 173.7061 85 Y 5.1250 8.7299 119.3067 56.3702 40.3461 174.4148 86 L 5.4269 9.2377 125.8537 53.6553 45.2008 174.9750 87 T 5.2731 9.2670 122.7165 61.9836 71.7246 173.5990 88 V 5.1683 9.0606 118.6868 59.4800 36.1722 174.1933 89 L 5.1574 8.2771 123.2819 53.8852 44.8400 175.9571 90 N 4.2466 9.4764 123.3716 54.0381 36.6438 174.0324 91 H 4.6855 7.9517 115.1463 55.0314 33.0843 172.7042 92 D 4.7166 8.0579 127.2999 53.4859 41.4762 174.3790 93 N 4.9093 7.8717 117.1073 51.4268 40.9016 173.6580 94 Y 4.2477 8.9869 127.4036 61.2919 39.4840 178.1306 95 T 3.8302 8.3413 115.9756 66.9696 68.4567 176.2242 96 E 4.0774 7.8727 119.3754 59.3031 29.3467 179.5490 97 I 3.7045 7.5399 120.0595 64.1804 36.9761 178.3873 98 L 4.1106 7.5382 119.4515 57.8306 41.4365 179.2364 99 E 3.9938 8.2228 118.6512 59.1598 29.2859 179.5464 100 V 3.5580 8.0550 118.5822 65.9309 31.3927 178.1264 101 L 3.9269 7.9318 117.7839 57.6207 41.5157 178.7488 102 E 4.3485 8.5457 118.5533 59.5459 29.9849 178.5904 103 K 4.2031 8.3160 118.6096 59.7547 31.7877 180.0115 104 T 3.7435 7.7891 113.5975 64.0750 68.0222 176.3380 *106 Q 4.3094 8.0441 121.8356 56.2542 30.9496 177.4954 107 D 4.4134 7.9014 116.9179 56.6754 40.7953 178.9613 108 V 3.6691 7.5571 119.6198 65.8804 31.2933 178.0060 109 L 4.1003 7.5697 117.9981 57.1784 41.5436 178.6140 110 K 4.2855 7.3097 114.6292 55.6450 32.5769 177.0919 111 A 4.2049 7.0867 122.8273 52.1103 18.7797 177.6843 112 K 4.4975 8.0104 116.9477 56.2531 33.8990 175.2684 113 E 4.5522 7.5610 118.1189 55.7583 32.1076 174.5919 114 V 4.1319 8.1169 122.3846 59.1097 32.1649 174.1047 115 P 4.0403 0.0000 0.0000 64.2994 31.8689 176.0421 116 A 3.7641 8.3793 123.8080 53.4260 16.5714 178.3998 117 S 4.5690 7.6937 114.5226 57.1398 62.5377 171.8636 118 N 5.0750 7.2801 120.4382 51.8928 40.8247 175.8087 119 E 4.2882 8.6676 116.8551 58.3855 29.7636 178.6940 120 K 4.2295 8.8829 118.6782 58.3187 32.3801 177.7991 121 Q 4.7035 7.7095 114.8289 55.0210 29.3304 174.6547 122 C 4.7775 7.8504 115.2556 58.6170 34.1621 173.9949 123 G 3.8929 8.8353 113.8358 46.8553 0.0000 174.1948 124 W 5.3608 7.8502 128.7487 56.1205 31.4425 174.4434 125 A 4.1449 8.3330 123.3973 55.2773 18.6859 179.3443 126 A 4.1003 8.2568 117.8586 55.4256 19.0767 178.3097 127 N 4.2365 6.8836 114.2146 53.3310 36.4058 173.2101 128 H 4.7673 7.0830 116.0861 54.4446 33.6837 173.6043 129 T 4.0896 8.5725 112.0769 60.2785 70.3915 173.9784 130 L 3.9771 8.4598 131.6425 57.9564 42.1808 178.2397 131 E 3.9914 8.1703 119.0005 59.2340 29.6748 178.6736 132 G 4.2019 8.0088 106.6358 47.2371 0.0000 174.9854 133 A 4.0304 7.7447 123.1691 55.2793 18.3430 179.6768 134 Q 3.9808 8.5086 116.3782 59.2161 28.7751 179.1596 135 N 4.3804 8.8052 117.7789 56.3052 38.5765 177.4102 136 L 4.1906 8.3988 120.5539 57.9238 41.6976 179.4995 137 A 4.2994 8.5177 120.9899 55.0740 18.3005 179.7486 138 R 3.8723 8.4913 117.3297 59.5438 30.0154 178.5363 139 A 4.0480 7.9268 119.2880 55.1508 18.7238 179.0329 140 F 4.1747 8.5048 119.0966 61.4492 39.4060 177.2600 141 L 4.1203 8.5239 118.9490 58.0762 41.2892 179.1783 142 D 4.4787 8.5732 117.4537 56.0754 40.8956 177.3551 143 K 4.5227 7.6569 118.7452 55.5101 33.2720 178.1357 144 R 2.0000 7.7720 121.2983 59.1490 29.4091 177.3604 145 A 3.8233 7.6057 118.2430 55.0011 18.5407 178.3638 146 E 4.3363 8.1305 114.8661 56.5459 29.7445 178.2579 147 W 4.5868 8.1233 121.2883 59.8111 29.0186 177.5037 148 S 5.2831 8.1629 108.7802 58.0819 63.0443 173.8901 149 E 4.3611 8.0416 123.4108 54.9798 28.4670 175.4060 150 V 3.2976 8.0362 126.8381 63.7649 31.9621 177.9118 151 G 4.1289 9.3257 106.8684 45.1940 0.0000 173.2724 152 V 3.8738 7.0976 123.0827 63.6000 31.4163 171.9327 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 8.31 4.14 0.00 1.74 1.83 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 1.33 1.45 7.81 *4 N 8.50 4.67 0.00 2.77 2.85 0.00 0.00 6.70 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 5 V 7.19 4.09 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 0.00 0.00 0.22 0.00 0.00 0.52 0.00 0.00 6 E 8.81 3.89 0.00 1.95 1.86 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 2.37 2.45 0.00 7 S 7.98 4.31 0.00 4.34 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 0.00 8 F 7.85 4.82 0.00 3.12 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 9 N 8.22 4.83 0.00 2.91 2.89 0.00 0.00 6.85 8.54 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 10 L 7.29 4.28 0.00 1.69 1.90 0.90 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.51 4.67 0.00 2.74 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.87 4.27 0.00 3.16 3.44 0.00 5.95 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 T 7.91 4.18 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 1.24 0.00 0.00 14 K 7.84 4.44 0.00 1.76 1.86 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.39 1.56 7.81 15 V 7.55 3.94 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 0.52 0.00 0.00 1.14 0.00 0.00 16 K 8.69 4.56 0.00 1.66 1.77 0.00 1.84 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.41 7.81 17 A 9.88 4.57 1.32 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 0.00 0.00 0.00 18 P 0.00 4.95 0.00 1.97 2.12 0.00 4.06 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 19 Y 8.01 5.04 0.00 3.27 3.18 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 20 V 9.20 4.82 2.33 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 0.85 0.00 0.00 0.81 0.00 0.00 21 R 9.36 4.85 0.00 2.04 2.07 0.00 3.12 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 1.61 1.57 0.00 22 I 8.66 4.27 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.89 0.84 0.00 0.00 23 A 9.03 4.33 1.47 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 24 D 7.34 4.42 0.00 2.68 2.35 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 0.00 0.00 0.00 0.00 25 R 8.65 5.03 0.00 1.64 1.75 0.00 3.18 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.55 0.00 26 K 9.37 4.64 0.00 1.58 1.63 0.00 1.57 0.00 0.00 1.54 0.00 0.00 2.75 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.29 7.81 27 K 8.58 4.91 0.00 1.72 1.66 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.30 1.53 7.81 28 G 9.47 3.91 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 0.00 0.00 0.00 29 V 8.28 3.55 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 0.76 0.00 0.00 0.93 0.00 0.00 30 N 8.08 4.54 0.00 2.74 2.89 0.00 0.00 7.13 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 31 G 8.21 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 32 D 7.86 4.54 0.00 2.62 2.61 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 0.00 33 L 8.50 5.02 0.00 1.76 1.51 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 34 I 9.24 4.93 1.86 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 1.13 0.49 0.96 0.00 0.00 35 V 8.67 4.76 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 0.48 0.00 0.00 0.99 0.00 0.00 36 K 8.88 5.04 0.00 1.70 1.53 0.00 1.48 0.00 0.00 1.42 0.00 0.00 2.27 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.22 1.32 7.81 37 Y 9.42 5.32 0.00 3.03 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 38 D 9.64 4.67 0.00 2.95 2.82 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 39 V 8.48 4.57 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 0.93 0.00 0.00 1.04 0.00 0.00 40 R 8.11 4.22 0.00 1.13 0.66 0.00 3.14 0.00 0.00 3.18 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.53 0.00 41 F 9.16 4.35 0.00 2.82 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 42 K 7.86 4.74 0.00 1.63 1.74 0.00 1.83 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.25 7.81 43 Q 8.60 4.05 0.00 2.18 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.96 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 44 P 0.00 4.36 0.00 2.30 2.16 0.00 3.96 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.22 0.00 45 N 9.11 4.35 0.00 2.90 2.93 0.00 0.00 6.92 7.66 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 46 R 7.88 4.52 0.00 1.89 1.95 0.00 3.27 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 47 D 7.39 4.58 0.00 2.59 2.53 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 0.00 0.00 0.00 0.00 48 H 7.77 4.48 0.00 3.14 2.53 0.00 5.81 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *50 D 8.05 4.58 0.00 2.85 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.33 0.00 2.13 2.02 0.00 3.51 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 1.87 2.01 0.00 53 S 7.88 4.13 0.00 3.90 3.85 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 0.00 0.00 0.00 0.00 54 L 8.00 3.98 0.00 1.63 1.61 0.64 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 55 H 8.17 4.29 0.00 3.12 3.26 0.00 5.74 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 56 S 8.08 4.13 0.00 3.99 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 57 L 8.27 3.94 0.00 1.87 1.75 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.22 4.20 0.00 2.58 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 2.56 2.63 0.00 59 H 8.06 4.20 0.00 3.30 3.32 0.00 5.70 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 60 L 8.01 3.90 0.00 1.66 1.63 0.93 0.79 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 61 V 7.62 3.12 0.90 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 -0.72 0.00 0.00 0.46 0.00 0.00 62 A 7.41 3.81 1.45 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 63 E 8.11 3.95 0.00 2.14 1.87 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 2.26 2.33 0.00 64 I 7.83 3.83 1.81 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 1.35 0.39 0.90 0.00 0.00 65 I 7.75 3.76 1.59 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.97 0.79 0.00 0.00 66 R 6.99 4.23 0.00 1.90 1.88 0.00 3.26 0.00 0.00 3.04 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.45 0.00 67 N 8.22 4.54 0.00 2.51 2.64 0.00 0.00 6.86 8.11 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 68 H 7.82 4.65 0.00 3.05 3.28 0.00 5.63 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 69 A 7.01 4.30 0.41 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 70 N 8.42 4.66 0.00 2.81 2.90 0.00 0.00 6.01 7.55 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 71 Y 6.58 4.79 0.00 3.28 3.28 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 72 V 7.60 4.16 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 0.86 0.00 0.00 0.83 0.00 0.00 73 V 9.28 4.17 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 0.82 0.00 0.00 0.99 0.00 0.00 74 D 7.80 4.77 0.00 2.87 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 W 8.55 5.51 0.00 3.41 2.89 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 76 S 8.77 4.90 0.00 3.80 3.70 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 0.00 0.00 0.00 0.00 77 P 0.00 4.48 0.00 1.91 1.83 0.00 3.83 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.00 0.00 *79 G 8.67 3.91 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 0.00 0.00 0.00 80 C 7.91 4.26 0.00 3.09 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 81 Q 7.39 3.22 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.75 0.00 0.00 0.00 0.00 0.00 2.18 2.35 0.00 82 T 6.89 4.31 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 1.26 0.00 0.00 83 G 6.63 4.03 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 0.00 0.00 0.00 84 F 8.18 4.74 0.00 1.66 1.45 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 85 Y 8.73 5.13 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 86 L 9.24 5.43 0.00 2.19 1.83 1.27 0.94 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 87 T 9.27 5.27 4.33 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 1.30 0.00 0.00 88 V 9.06 5.17 2.41 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 1.21 0.00 0.00 1.23 0.00 0.00 89 L 8.28 5.16 0.00 1.67 1.57 0.95 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 90 N 9.48 4.25 0.00 2.91 2.90 0.00 0.00 6.72 7.10 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 91 H 7.95 4.69 0.00 2.46 2.75 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.06 4.72 0.00 2.59 2.52 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 93 N 7.87 4.91 0.00 2.76 2.61 0.00 0.00 6.68 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 94 Y 8.99 4.25 0.00 3.20 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 95 T 8.34 3.83 4.29 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 1.23 0.00 0.00 96 E 7.87 4.08 0.00 2.39 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 2.38 2.39 0.00 97 I 7.54 3.70 1.53 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 1.69 0.29 0.37 0.00 0.00 98 L 7.54 4.11 0.00 1.81 1.87 1.07 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.22 3.99 0.00 2.02 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 2.56 2.46 0.00 100 V 8.05 3.56 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 1.05 0.00 0.00 1.09 0.00 0.00 101 L 7.93 3.93 0.00 1.96 1.76 0.84 0.74 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 0.00 102 E 8.55 4.35 0.00 2.04 2.24 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 2.28 2.32 0.00 103 K 8.32 4.20 0.00 1.76 1.53 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.58 7.81 104 T 7.79 3.74 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 0.97 0.00 0.00 *106 Q 8.04 4.31 0.00 2.28 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.53 6.91 0.00 0.00 0.00 0.00 0.00 2.35 2.69 0.00 107 D 7.90 4.41 0.00 2.71 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 0.00 108 V 7.56 3.67 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 1.03 0.00 0.00 0.89 0.00 0.00 109 L 7.57 4.10 0.00 1.79 1.73 0.96 0.96 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 0.00 110 K 7.31 4.29 0.00 1.83 1.84 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.59 7.81 111 A 7.09 4.20 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 0.00 112 K 8.01 4.50 0.00 1.82 1.87 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.27 1.36 7.81 113 E 7.56 4.55 0.00 1.87 1.78 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 2.09 2.19 0.00 114 V 8.12 4.13 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 0.65 0.00 0.00 0.79 0.00 0.00 115 P 0.00 4.04 0.00 2.05 2.03 0.00 3.81 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 116 A 8.38 3.76 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 0.00 117 S 7.69 4.57 0.00 3.70 3.63 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 0.00 118 N 7.28 5.08 0.00 2.92 2.93 0.00 0.00 6.12 7.66 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 0.00 119 E 8.67 4.29 0.00 2.01 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 2.38 2.37 0.00 120 K 8.88 4.23 0.00 1.91 1.87 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.42 7.81 121 Q 7.71 4.70 0.00 2.26 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.57 0.00 0.00 0.00 0.00 0.00 2.29 2.48 0.00 122 C 7.85 4.78 0.00 3.21 3.13 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 0.00 0.00 0.00 0.00 123 G 8.84 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 0.00 0.00 0.00 124 W 7.85 5.36 0.00 3.30 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 0.00 125 A 8.33 4.14 1.44 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 0.00 0.00 126 A 8.26 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 N 6.88 4.24 0.00 1.44 1.94 0.00 0.00 7.03 8.81 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 0.00 128 H 7.08 4.77 0.00 3.02 3.01 0.00 5.79 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 T 8.57 4.09 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 1.19 0.00 0.00 130 L 8.46 3.98 0.00 1.77 1.63 0.91 0.84 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 0.00 131 E 8.17 3.99 0.00 2.07 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 2.38 0.00 132 G 8.01 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 0.00 0.00 0.00 0.00 133 A 7.74 4.03 1.44 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 0.00 0.00 134 Q 8.51 3.98 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.75 0.00 0.00 0.00 0.00 0.00 2.52 2.67 0.00 135 N 8.81 4.38 0.00 2.93 2.92 0.00 0.00 6.98 6.96 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 0.00 136 L 8.40 4.19 0.00 2.01 2.03 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 137 A 8.52 4.30 1.47 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 0.00 138 R 8.49 3.87 0.00 2.05 2.00 0.00 3.14 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 139 A 7.93 4.05 1.47 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 0.00 140 F 8.50 4.17 0.00 2.76 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 0.00 141 L 8.52 4.12 0.00 2.12 1.73 0.98 1.00 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 0.00 142 D 8.57 4.48 0.00 2.75 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 0.00 143 K 7.66 4.52 0.00 1.79 1.77 0.00 1.73 0.00 0.00 1.94 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.33 7.81 144 R 7.77 2.00 0.00 1.14 1.41 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.99 0.00 145 A 7.61 3.82 1.20 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 0.00 0.00 146 E 8.13 4.34 0.00 2.12 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 0.00 2.31 2.33 0.00 147 W 8.12 4.59 0.00 3.43 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 0.00 148 S 8.16 5.28 0.00 4.21 4.44 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 0.00 149 E 8.04 4.36 0.00 2.00 2.16 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 2.29 2.25 0.00 150 V 8.04 3.30 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 0.19 0.00 0.00 0.84 0.00 0.00 151 G 9.33 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 V 7.10 3.87 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 0.68 0.00 0.00 0.98 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.