NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4071 8.3049 120.3488 55.0107 33.6709 174.9646 2 K 4.4209 8.3923 124.1312 55.4542 33.7712 174.2072 3 K 5.2039 10.7033 125.4124 54.7992 36.3121 174.4614 4 I 5.1169 9.0400 126.9730 59.4463 40.5326 174.0872 5 L 5.0897 8.9116 128.0951 53.2754 44.6333 174.5429 6 L 5.1113 9.2717 129.3147 53.7878 43.8539 174.8719 7 L 5.5179 9.3967 126.5145 53.0773 45.1158 175.2205 8 N 5.3656 9.2355 120.4808 51.7504 42.2458 175.0475 9 G 4.3042 9.0021 113.4932 43.6680 0.0000 170.7736 10 P 4.2936 0.0000 0.0000 64.5603 31.4442 176.5917 11 N 4.4222 9.6736 117.2458 53.7449 37.8013 176.2868 12 L 4.0894 7.4508 118.7317 57.0206 41.7941 178.5893 13 N 4.4831 7.9762 114.6831 54.8779 37.6713 175.4436 14 M 4.3106 8.0068 118.5112 55.4632 32.5412 176.0444 15 L 4.1868 7.6273 120.9191 56.1291 42.0435 178.3400 16 G 4.1276 8.8268 110.0933 46.2140 0.0000 174.0212 17 K 4.2808 7.8535 118.5822 57.5126 32.9821 177.7928 18 R 4.0265 7.7905 117.5335 55.8011 29.9566 175.6832 19 E 3.9206 8.1517 123.6679 58.8038 30.5902 176.1856 20 P 4.5632 0.0000 0.0000 63.1689 29.3035 175.2980 21 H 3.9511 6.8233 113.5180 54.3971 30.2626 175.5561 22 I 4.0530 8.4220 122.6673 62.4934 38.1971 176.1955 23 Y 4.5427 9.0532 115.1558 57.5363 40.5462 175.5792 24 G 3.7527 7.6812 107.0824 44.9187 0.0000 173.8712 25 S 4.4779 8.3522 116.1126 58.7263 63.0754 174.8794 26 Q 4.1587 7.9948 122.0447 56.8297 29.5498 175.2344 27 T 4.8703 8.5758 116.4440 58.7736 72.6370 175.3628 28 L 3.7761 8.1274 121.7941 58.2911 41.9416 178.5840 29 S 4.1966 7.8234 113.8734 60.7985 62.2017 175.7290 30 D 4.2657 7.7491 121.0462 57.3677 40.4968 178.8674 31 I 3.5371 7.3797 119.6779 64.2454 36.8540 178.2764 32 E 3.5863 8.0557 119.6679 59.4388 29.1690 179.4983 33 Q 3.9210 8.0007 118.2134 59.0845 28.7787 178.3309 34 H 4.0838 8.2810 119.3293 59.3046 29.8542 177.0909 35 L 3.8754 8.0243 122.2282 58.0292 41.8726 178.6648 36 Q 4.0091 8.1902 119.5663 59.3593 29.0676 178.2365 37 Q 4.0056 8.2435 119.1557 58.9752 28.4997 178.7679 38 S 4.0624 7.9269 112.9888 61.1398 62.7441 175.7855 39 A 4.2175 8.2303 123.5879 55.4913 18.2288 179.6188 40 Q 4.5475 8.5753 117.7025 58.6140 28.5610 179.0078 41 A 4.1191 8.0549 120.5666 54.2150 18.4034 178.5703 42 Q 4.5474 7.9574 114.7232 55.3832 29.1733 176.2310 43 G 3.7052 8.1445 107.9896 45.5128 0.0000 172.9316 44 Y 4.8614 7.6363 115.6410 55.8509 42.0778 174.4053 45 E 4.8778 8.8282 120.9158 55.3884 31.9070 175.2796 46 L 5.2520 8.3503 124.1206 54.0322 45.2554 174.7922 47 D 5.1904 9.2549 126.1410 52.9097 44.0013 174.8104 48 Y 5.5069 7.6801 117.0833 55.9684 41.4539 174.0273 49 F 5.0398 9.2257 121.6015 57.4730 43.5034 172.6173 50 Q 5.2992 7.6159 124.0521 54.0167 31.9667 173.3812 51 A 4.4625 8.3041 125.4300 50.9758 22.4123 175.4447 52 N 4.8084 8.7668 115.1857 52.9531 39.3977 175.7771 53 G 4.5161 7.7104 104.3284 42.1149 0.0000 173.7619 54 E 3.7903 8.6166 121.1945 59.0537 29.4404 179.3023 55 E 3.8598 8.1095 118.7887 59.4450 29.8511 178.8774 56 S 4.2008 8.0909 114.5292 61.7065 63.0206 176.6098 57 L 4.2220 7.9759 121.1791 57.9567 41.3107 179.6958 58 I 3.5990 8.3138 120.0822 64.3680 36.9896 178.2431 59 N 4.2013 8.3570 117.6901 56.2606 38.0914 177.4771 60 R 3.9077 7.3759 120.3921 58.6474 30.4579 178.3907 61 I 3.8346 7.5916 119.7649 64.6981 37.1174 178.1078 62 H 4.2770 8.3808 117.3670 59.0421 28.0606 177.9312 63 Q 4.0923 8.3448 119.4696 58.4894 28.5426 178.1101 64 A 4.4685 7.8158 121.9768 51.6642 18.4966 177.0233 65 F 4.3910 7.6894 120.9898 59.9952 39.6837 175.6235 66 Q 3.5119 8.7117 124.9815 56.2081 25.9640 173.4980 67 N 4.9674 7.7426 113.5977 51.9674 39.1151 173.9637 68 T 4.7339 7.8010 115.7443 62.0559 70.7488 173.6104 69 D 4.9168 8.8487 124.7201 55.0423 42.5035 176.3407 70 F 4.8761 7.9007 118.9461 57.0999 43.1114 172.5989 71 I 5.2185 8.2719 124.7207 59.6132 41.0598 174.3959 72 I 5.1540 8.9864 127.0194 59.6735 39.7711 174.4573 73 I 5.1109 9.0804 127.3727 59.2765 41.6926 173.4982 74 N 5.4798 9.4772 128.6105 50.3358 39.6685 173.0345 75 P 4.5783 0.0000 0.0000 62.8260 33.1134 178.0957 76 G 3.7103 8.4233 108.6892 46.2406 0.0000 175.9773 77 A 4.1822 8.3698 121.9944 54.9971 18.7749 179.4514 78 F 4.9445 7.7569 115.7405 59.6969 38.8060 177.3875 79 T 4.0411 8.0479 113.2120 64.9917 66.8915 175.0138 80 H 5.1580 8.2744 117.5575 56.0010 29.2927 175.8254 81 T 4.7354 8.0204 108.6943 61.2780 70.5935 173.2078 82 S 4.6204 8.5017 118.4017 56.8312 61.0317 174.2078 83 V 3.3142 7.5708 126.2803 64.9221 31.4475 177.0757 84 A 3.8614 7.6843 120.4398 55.2142 18.2626 179.5238 85 I 3.6078 7.8149 118.4138 64.0728 37.1177 178.4954 86 R 3.8362 7.6610 119.7262 59.8161 29.9334 178.4578 87 D 4.3764 8.3135 118.2631 56.9631 40.8165 178.7964 88 A 3.9652 7.7638 121.5348 55.1285 18.1349 179.6419 89 L 3.8768 7.8816 117.5382 57.9255 41.4817 179.8456 90 L 4.2195 8.0690 118.7820 57.6174 41.3256 179.3447 91 A 3.9203 7.9901 120.1259 54.7721 18.4054 179.2856 92 V 3.6937 7.5714 107.9617 60.6718 32.4891 175.8913 93 S 3.7186 7.5294 112.6854 59.4105 61.2489 171.9204 94 I 4.4842 7.1014 119.4048 58.3325 39.0700 174.5036 95 P 4.5264 0.0000 0.0000 63.0254 32.4916 175.1806 96 F 5.6533 7.8511 114.9573 54.9553 41.9534 172.7806 97 I 4.8690 8.5730 119.6736 59.5496 40.5540 174.0050 98 E 4.9979 8.9089 127.8311 55.1320 31.2256 174.8923 99 V 4.8117 8.7403 126.4426 61.4157 35.2683 173.8602 100 H 4.9434 8.8024 122.9853 54.1578 32.5786 174.1990 101 L 4.0281 8.8752 123.6383 57.7032 42.3712 177.9303 102 S 4.7493 8.0461 111.0811 56.8760 64.8353 173.3334 103 N 4.6167 8.3733 119.4190 52.4052 37.9002 175.7999 104 V 3.6502 8.1791 120.6372 64.4345 31.8434 178.2704 105 H 4.3850 8.2201 115.2276 57.3115 28.7090 175.7312 106 A 4.5758 7.9537 121.1972 51.9089 19.5452 177.5054 107 R 4.7437 6.9721 115.7396 55.2310 31.8534 175.9020 108 E 3.9278 8.1592 119.4759 56.6582 30.3158 175.9989 109 P 3.7057 0.0000 0.0000 65.6282 31.0154 178.8795 110 F 4.3555 7.8260 112.3152 59.1253 37.6332 176.5284 111 R 3.6964 6.8937 117.0085 56.9025 30.1658 176.7977 112 H 4.4816 8.0228 116.2773 57.4319 29.1142 174.7717 113 H 4.8395 7.7311 119.7080 54.2473 31.2660 173.3993 114 S 4.9188 7.7936 119.1392 57.0282 65.2780 173.0276 115 Y 4.6844 9.0390 123.5523 58.1534 38.3025 176.1364 116 L 4.8459 8.2173 120.7581 55.9207 44.4021 178.7636 117 S 4.2276 8.4485 114.6577 61.7455 62.7920 176.3044 118 D 4.4074 8.1486 117.3726 55.3038 39.3412 177.0195 119 V 4.2114 7.6733 111.0719 60.8386 32.5099 175.7016 120 A 2.7591 7.2818 123.3903 50.7337 19.1348 177.8053 121 K 3.9840 8.2007 122.6365 59.4855 32.9921 176.8163 122 G 4.0123 7.3132 104.5134 45.5490 0.0000 172.0744 123 V 5.1238 8.0774 118.6675 61.0981 34.9653 174.3238 124 I 4.7317 8.8450 127.9343 59.5696 40.2209 174.2226 125 C 5.1690 8.6511 121.3564 57.6612 32.2205 174.5976 126 G 3.9820 9.2527 110.6915 45.6822 0.0000 173.5131 127 L 4.5627 7.8056 117.7835 53.6658 42.6764 178.5900 128 G 3.8227 8.1609 108.5216 46.0149 0.0000 175.2363 129 A 4.2490 8.5583 119.0619 55.2437 18.3399 179.8832 130 K 4.0283 7.6042 118.1073 58.7532 32.0049 179.2574 131 G 3.6287 8.0179 106.1544 48.1141 0.0000 175.3474 132 Y 4.1359 7.9681 118.8895 60.8192 37.9572 178.2267 133 D 4.3576 7.8560 119.4669 57.6207 40.9100 178.2708 134 Y 4.5165 7.5827 117.0414 61.0279 37.7982 178.3577 135 A 4.0838 8.2455 121.8125 55.1127 18.4347 179.4523 136 L 3.9072 8.2916 119.0588 58.2360 42.1945 178.6507 137 D 4.2722 8.3704 118.1333 57.3428 41.2080 178.0879 138 F 3.8113 8.5702 121.1393 60.9825 39.3861 176.7626 139 A 2.5800 8.1342 120.8276 54.9886 18.0882 179.7215 140 I 3.0975 7.5874 118.4544 64.2085 36.8519 178.8456 141 S 3.9697 7.5664 115.1192 61.3448 62.7792 176.5460 142 E 3.7910 7.6502 122.1163 59.0784 29.1210 179.2463 143 L 4.0435 7.7893 119.0417 57.7700 41.5724 179.6003 144 Q 4.3245 7.9998 119.4941 58.4557 28.6295 178.9631 145 K 4.0416 7.7907 119.4483 59.2561 32.1388 179.6258 146 I 3.7318 7.6274 120.0499 64.4849 36.6239 178.3513 147 Q 4.0553 8.3649 119.1479 59.1395 28.6658 179.1200 148 L 4.1434 8.1043 120.0848 57.6725 41.4215 179.7698 149 G 3.6949 7.9106 104.7509 47.2116 0.0000 174.8922 150 E 4.2775 7.7568 118.3943 57.9445 29.7863 178.1852 151 M 4.1516 7.7288 120.8303 58.5252 32.1324 176.6989 *152 M 4.2820 7.9254 120.8196 54.6277 32.3378 179.2900 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 8.30 4.41 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.58 0.00 2 K 8.39 4.42 0.00 2.21 1.87 0.00 1.78 0.00 0.00 1.95 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.65 1.61 7.81 3 K 10.70 5.20 0.00 1.79 1.79 0.00 1.89 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.59 7.81 4 I 9.04 5.12 1.95 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.60 1.05 0.00 0.00 5 L 8.91 5.09 0.00 1.80 1.58 1.05 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 6 L 9.27 5.11 0.00 1.89 1.82 1.09 0.35 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 7 L 9.40 5.52 0.00 1.65 1.64 0.95 0.66 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 8 N 9.24 5.37 0.00 2.60 2.67 0.00 0.00 6.54 7.20 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 9 G 9.00 4.30 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 0.00 10 P 0.00 4.29 0.00 1.85 1.64 0.00 3.80 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.44 0.00 11 N 9.67 4.42 0.00 2.87 3.00 0.00 0.00 6.84 6.50 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 12 L 7.45 4.09 0.00 1.76 1.68 0.93 0.58 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 13 N 7.98 4.48 0.00 2.78 3.07 0.00 0.00 6.07 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 14 M 8.01 4.31 0.00 2.09 2.29 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.63 0.00 15 L 7.63 4.19 0.00 1.74 1.55 0.77 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 16 G 8.83 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 17 K 7.85 4.28 0.00 1.88 1.87 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.67 1.53 7.81 18 R 7.79 4.03 0.00 1.82 1.87 0.00 3.26 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 19 E 8.15 3.92 0.00 1.88 1.84 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 2.26 2.34 0.00 20 P 0.00 4.56 0.00 2.06 1.99 0.00 3.74 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 21 H 6.82 3.95 0.00 3.34 3.45 0.00 5.53 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 22 I 8.42 4.05 1.67 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 1.32 0.58 0.25 0.00 0.00 23 Y 9.05 4.54 0.00 2.94 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 24 G 7.68 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.35 4.48 0.00 3.87 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 26 Q 7.99 4.16 0.00 2.11 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.48 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 27 T 8.58 4.87 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 1.24 0.00 0.00 28 L 8.13 3.78 0.00 1.85 1.61 0.75 0.66 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 29 S 7.82 4.20 0.00 3.85 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 30 D 7.75 4.27 0.00 2.86 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 31 I 7.38 3.54 1.68 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 1.45 0.60 0.25 0.00 0.00 32 E 8.06 3.59 0.00 1.41 1.12 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 1.96 2.27 0.00 33 Q 8.00 3.92 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 34 H 8.28 4.08 0.00 3.23 3.46 0.00 5.78 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 35 L 8.02 3.88 0.00 1.91 1.63 0.95 1.00 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 36 Q 8.19 4.01 0.00 2.42 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.44 2.65 0.00 37 Q 8.24 4.01 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 38 S 7.93 4.06 0.00 3.80 3.96 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 39 A 8.23 4.22 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 40 Q 8.58 4.55 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.43 2.56 0.00 41 A 8.05 4.12 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 42 Q 7.96 4.55 0.00 2.38 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.02 0.00 0.00 0.00 0.00 0.00 2.37 2.60 0.00 43 G 8.14 3.71 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 0.00 44 Y 7.64 4.86 0.00 3.04 2.84 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 45 E 8.83 4.88 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 2.29 2.28 0.00 46 L 8.35 5.25 0.00 1.68 1.58 1.05 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 47 D 9.25 5.19 0.00 2.63 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.68 5.51 0.00 2.88 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 49 F 9.23 5.04 0.00 3.15 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 50 Q 7.62 5.30 0.00 1.94 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.53 0.00 0.00 0.00 0.00 0.00 2.24 2.06 0.00 51 A 8.30 4.46 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 52 N 8.77 4.81 0.00 2.72 2.81 0.00 0.00 6.64 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 53 G 7.71 4.52 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 0.00 54 E 8.62 3.79 0.00 1.82 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 1.62 1.47 0.00 55 E 8.11 3.86 0.00 2.01 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 2.38 2.39 0.00 56 S 8.09 4.20 0.00 4.09 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 0.00 57 L 7.98 4.22 0.00 1.93 1.81 1.26 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 58 I 8.31 3.60 1.82 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.74 0.62 0.00 0.00 59 N 8.36 4.20 0.00 2.83 2.79 0.00 0.00 6.67 8.14 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 60 R 7.38 3.91 0.00 0.85 1.77 0.00 2.95 0.00 0.00 2.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.34 0.00 61 I 7.59 3.83 1.92 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.06 0.87 0.00 0.00 62 H 8.38 4.28 0.00 3.26 3.29 0.00 5.64 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 63 Q 8.34 4.09 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.35 2.62 0.00 64 A 7.82 4.47 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 65 F 7.69 4.39 0.00 3.02 3.09 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 66 Q 8.71 3.51 0.00 1.79 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.60 0.00 0.00 0.00 0.00 0.00 1.60 1.16 0.00 67 N 7.74 4.97 0.00 2.84 2.93 0.00 0.00 6.80 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 68 T 7.80 4.73 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 1.31 0.00 0.00 69 D 8.85 4.92 0.00 2.62 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 70 F 7.90 4.88 0.00 3.10 2.85 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 71 I 8.27 5.22 1.91 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 1.29 0.87 1.01 0.00 0.00 72 I 8.99 5.15 2.08 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 1.36 0.94 1.12 0.00 0.00 73 I 9.08 5.11 1.92 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 1.24 1.98 1.05 0.00 0.00 74 N 9.48 5.48 0.00 2.80 3.02 0.00 0.00 6.83 8.41 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 75 P 0.00 4.58 0.00 2.48 2.36 0.00 3.79 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.05 0.00 76 G 8.42 3.71 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 0.00 77 A 8.37 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 F 7.76 4.94 0.00 3.24 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 79 T 8.05 4.04 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 0.92 0.00 0.00 80 H 8.27 5.16 0.00 3.40 3.49 0.00 5.61 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 T 8.02 4.74 4.37 0.00 0.00 0.00 0.00 0.00 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 82 S 8.50 4.62 0.00 3.59 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 83 V 7.57 3.31 1.77 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 0.87 0.00 0.00 -0.12 0.00 0.00 84 A 7.68 3.86 1.17 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 85 I 7.81 3.61 1.80 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 1.32 0.54 0.83 0.00 0.00 86 R 7.66 3.84 0.00 1.97 2.14 0.00 3.27 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.88 0.00 87 D 8.31 4.38 0.00 2.78 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 88 A 7.76 3.97 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 89 L 7.88 3.88 0.00 1.64 1.44 -0.09 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.07 4.22 0.00 1.84 1.72 0.96 0.86 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 91 A 7.99 3.92 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 92 V 7.57 3.69 2.29 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 0.79 0.00 0.00 1.08 0.00 0.00 93 S 7.53 3.72 0.00 3.97 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 94 I 7.10 4.48 1.91 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.06 0.91 0.00 0.00 95 P 0.00 4.53 0.00 1.77 2.12 0.00 3.64 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.02 0.00 96 F 7.85 5.65 0.00 3.10 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 97 I 8.57 4.87 2.12 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 1.27 1.20 0.92 0.00 0.00 98 E 8.91 5.00 0.00 2.27 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 2.25 2.30 0.00 99 V 8.74 4.81 1.66 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 0.17 0.00 0.00 0.80 0.00 0.00 100 H 8.80 4.94 0.00 3.06 3.20 0.00 5.67 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.88 4.03 0.00 1.48 1.39 0.47 0.91 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 0.00 102 S 8.05 4.75 0.00 4.04 4.08 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 0.00 103 N 8.37 4.62 0.00 2.77 2.78 0.00 0.00 6.88 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 0.00 104 V 8.18 3.65 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 0.69 0.00 0.00 0.62 0.00 0.00 105 H 8.22 4.38 0.00 3.28 3.24 0.00 5.64 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.95 4.58 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 0.00 107 R 6.97 4.74 0.00 1.68 1.68 0.00 3.16 0.00 0.00 3.17 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 108 E 8.16 3.93 0.00 1.16 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 2.39 2.28 0.00 109 P 0.00 3.71 0.00 2.11 2.03 0.00 3.50 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 110 F 7.83 4.36 0.00 3.19 3.29 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 0.00 111 R 6.89 3.70 0.00 1.60 1.80 0.00 2.88 0.00 0.00 3.12 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.50 0.00 112 H 8.02 4.48 0.00 3.24 3.35 0.00 5.65 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 0.00 113 H 7.73 4.84 0.00 3.17 3.11 0.00 5.53 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 S 7.79 4.92 0.00 3.81 3.62 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 0.00 115 Y 9.04 4.68 0.00 3.06 2.95 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 0.00 116 L 8.22 4.85 0.00 1.99 1.97 0.98 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.45 4.23 0.00 3.88 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 0.00 118 D 8.15 4.41 0.00 2.79 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 0.00 119 V 7.67 4.21 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 0.77 0.00 0.00 1.21 0.00 0.00 120 A 7.28 2.76 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 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.20 3.98 0.00 1.67 1.94 0.00 1.76 0.00 0.00 1.83 0.00 0.00 3.40 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.86 1.42 7.81 122 G 7.31 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 0.00 0.00 0.00 0.00 123 V 8.08 5.12 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 0.92 0.00 0.00 0.91 0.00 0.00 124 I 8.85 4.73 1.84 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.83 0.98 0.00 0.00 125 C 8.65 5.17 0.00 2.92 2.88 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 0.00 126 G 9.25 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 0.00 127 L 7.81 4.56 0.00 1.72 1.82 1.12 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 128 G 8.16 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 0.00 129 A 8.56 4.25 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 0.00 130 K 7.60 4.03 0.00 1.82 1.38 0.00 1.85 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.31 7.81 131 G 8.02 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 0.00 0.00 0.00 132 Y 7.97 4.14 0.00 3.11 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 0.00 133 D 7.86 4.36 0.00 2.48 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 0.00 134 Y 7.58 4.52 0.00 3.15 2.92 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 0.00 135 A 8.25 4.08 1.46 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 0.00 0.00 136 L 8.29 3.91 0.00 1.81 1.89 0.91 1.26 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 0.00 137 D 8.37 4.27 0.00 2.84 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 0.00 138 F 8.57 3.81 0.00 3.27 3.10 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 0.00 139 A 8.13 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 I 7.59 3.10 1.79 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 0.78 0.60 0.72 0.00 0.00 141 S 7.57 3.97 0.00 3.80 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 0.00 142 E 7.65 3.79 0.00 1.87 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 1.77 2.59 0.00 143 L 7.79 4.04 0.00 1.53 1.70 0.71 1.08 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 0.00 144 Q 8.00 4.32 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 145 K 7.79 4.04 0.00 1.91 1.84 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.57 7.81 146 I 7.63 3.73 2.07 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.40 0.97 0.00 0.00 147 Q 8.36 4.06 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.68 0.00 148 L 8.10 4.14 0.00 1.86 1.72 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 149 G 7.91 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 0.00 150 E 7.76 4.28 0.00 2.16 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 2.34 2.61 0.00 151 M 7.73 4.15 0.00 2.02 2.32 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.55 0.00 *152 M 7.93 4.28 0.00 1.78 1.88 0.00 0.00 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 * Residues marked with a * may have inaccurate shift predictions.