NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 V 4.3514 8.0544 120.4103 62.3843 33.1018 175.1301 14 S 4.3082 7.8756 112.6657 58.7317 63.5466 171.7847 15 G 3.9233 9.7429 111.6940 44.4031 0.0000 171.6833 16 T 4.8170 8.0934 117.5139 62.5676 69.8664 174.5141 17 W 5.1357 9.2513 124.6563 55.2134 34.4390 173.4635 18 Y 4.8816 9.1867 118.3904 56.1082 41.1531 175.1248 19 L 4.6226 8.7832 126.0384 54.9157 41.7520 176.0794 20 K 4.4892 9.2782 126.6777 57.4746 33.3385 176.8099 21 A 4.7326 7.5070 119.6117 51.4069 22.4031 174.9211 22 M 5.4393 8.2761 114.9175 54.5305 34.8521 174.2630 23 T 4.7874 8.8425 112.1477 61.7933 70.1730 173.8553 24 V 4.3568 8.3522 124.4296 61.3146 32.9877 174.8358 25 D 4.5534 8.7157 127.8336 53.5514 41.8909 176.0327 26 R 3.9833 8.6014 126.8984 59.1663 30.3565 176.2926 27 E 4.1488 9.5628 119.8003 53.5818 28.0919 175.9039 28 F 4.5799 8.2660 119.8316 55.8185 42.3129 173.1300 *32 N 4.4427 8.4326 121.7515 53.8870 39.8638 174.2085 33 L 4.0893 8.4770 128.1538 55.6944 42.0942 175.9789 34 E 4.3872 9.3857 127.3606 58.6436 30.4920 176.6988 35 S 4.9535 7.7140 111.7252 57.2339 66.3842 173.1250 36 V 5.0038 8.6400 122.3521 60.3493 34.8502 175.0553 37 T 5.7102 8.2503 113.7632 59.1482 70.7741 172.3705 38 P 4.2204 0.0000 0.0000 62.9596 32.4296 175.5667 39 M 4.6918 8.8504 121.6526 54.2449 34.6355 174.5420 40 T 4.9095 9.0451 123.1552 61.8750 71.0532 173.0924 41 L 5.0679 9.4474 130.1351 53.5075 44.3697 174.8886 42 T 4.8993 8.6683 117.7887 59.8671 71.2192 173.6280 43 T 4.5588 8.7067 117.4339 61.2099 69.1838 173.4960 44 L 4.4826 8.4052 128.0756 54.9587 41.8754 177.7186 45 E 3.7138 8.8833 124.1111 56.3175 27.4508 175.8006 46 G 3.8091 8.2846 103.4643 46.1110 0.0000 174.2684 47 G 4.0703 8.3500 110.9292 45.8293 0.0000 171.3630 48 N 4.9171 7.6311 116.8444 53.2716 39.8771 174.3073 49 L 5.2542 8.9193 121.7213 52.8780 46.0328 174.9763 50 E 5.0351 8.9198 121.1308 54.4285 32.7442 174.0864 51 A 5.0050 8.9284 129.0723 49.9588 21.8076 174.9724 52 K 5.0567 8.7974 123.8965 54.5995 35.7455 175.3248 53 V 4.6429 8.6155 124.5077 61.0943 35.2690 172.2499 54 T 5.0009 8.5061 119.8295 62.2398 71.0645 173.2997 55 M 5.0741 9.0456 125.5755 53.4350 35.6887 174.9180 56 L 4.6599 8.9926 126.5716 54.3747 42.8583 174.7749 57 I 4.7297 8.5567 127.6693 59.3253 39.1458 176.4859 58 S 4.0726 9.6002 126.3087 59.5095 60.8498 172.8291 59 G 4.1125 9.0510 108.5150 44.9775 0.0000 174.0605 60 R 4.5071 7.5275 117.5853 54.3768 32.0012 174.7623 61 C 4.9188 8.6473 119.5908 56.7841 38.4378 172.9952 62 Q 4.5565 9.0850 125.0488 53.9858 30.3961 174.8796 63 E 4.5021 8.7891 126.3892 55.6540 30.3670 175.6171 64 V 4.3273 8.9831 128.0944 61.5350 33.8114 174.6999 65 K 5.0752 8.3557 127.1786 55.0982 35.1642 174.7846 66 A 4.6790 9.1578 128.9721 50.0561 22.5522 174.7681 67 V 4.4540 8.4290 121.9172 61.3155 32.9721 175.3669 68 L 4.6830 9.1098 130.4442 53.7370 42.7593 175.8999 69 E 4.8090 9.2315 125.4668 55.0230 30.8744 176.7872 70 K 4.0106 8.9194 126.2498 57.1257 33.2449 174.9774 71 T 4.6997 7.5794 112.2304 59.9469 71.8045 173.6030 72 D 4.3133 8.7792 120.2044 56.0504 41.3168 176.2135 73 E 4.3955 7.5638 119.9303 53.4374 30.0995 173.3739 74 P 4.3798 0.0000 0.0000 64.4019 31.9072 176.9802 75 G 4.1579 9.0500 110.9053 44.9012 0.0000 172.0978 76 K 4.7430 7.4648 121.0942 54.9272 33.7264 174.9755 77 Y 5.0807 9.1357 124.1072 56.5309 42.9339 173.9071 78 T 5.2772 8.6981 109.8814 60.5292 72.7557 172.2695 79 A 4.7088 8.9962 121.4098 50.9837 22.8424 175.4479 80 D 4.0258 9.4371 116.0665 55.4624 40.0198 173.6589 81 G 3.6559 8.7049 100.2142 46.7786 0.0000 174.8151 82 G 3.9106 8.1652 103.3354 45.7670 0.0000 174.3537 83 K 4.1844 7.6574 118.1176 57.7021 32.6260 175.8001 84 H 5.0706 8.1571 119.5848 54.4079 33.0122 171.9058 85 V 4.8141 8.7936 125.9274 61.0258 34.2597 174.1514 86 A 4.8886 9.0488 128.1939 50.2787 23.1284 174.2130 87 Y 5.1685 8.8832 117.4537 56.2279 41.5964 174.7990 88 I 5.1180 9.2548 125.8880 59.7253 39.3040 174.9292 89 I 4.6845 8.4851 121.4100 58.6282 40.1853 175.3090 90 R 3.2198 8.4868 125.5338 56.1891 30.6006 175.8755 91 S 4.7085 8.1485 120.6157 57.7407 62.9884 174.1119 92 H 4.3056 8.8484 119.5456 57.4601 28.9655 175.6260 93 V 4.0181 7.4900 121.6693 60.6514 32.2374 174.8850 94 K 3.8411 8.6470 127.9122 58.4927 32.5483 175.4742 95 D 4.7467 9.1073 123.1084 55.6893 38.3449 172.6952 96 H 5.8269 8.0426 113.3768 54.5743 33.4546 172.2406 97 Y 4.9856 9.3191 117.8656 56.4164 42.6154 174.1786 98 I 5.0584 8.8252 123.8337 59.7885 39.6402 174.2774 99 F 5.3902 9.8180 129.7848 56.5614 41.9633 173.3990 100 Y 5.3776 8.2583 126.7325 56.0033 42.2434 174.1094 101 S 4.5363 7.4629 118.1406 57.0625 66.9336 172.8289 102 E 4.9447 8.4259 120.8955 55.0100 33.3919 176.0056 103 G 4.0372 8.5480 110.1871 45.1366 0.0000 171.6113 104 E 5.0852 8.4749 119.1753 54.8651 31.7041 176.0633 105 L 4.3346 9.1534 122.9378 56.0674 46.8802 174.7269 *108 K 4.1459 7.6399 117.2686 55.9904 33.1733 173.0930 109 P 4.7733 0.0000 0.0000 62.7442 31.7398 175.9497 110 V 4.6332 8.8888 123.7266 59.7886 34.3812 174.8245 111 R 5.4701 7.3798 115.9309 55.7443 32.7301 174.0558 112 G 4.2608 8.2007 106.2494 45.9004 0.0000 171.7097 113 V 5.3042 8.6161 120.0492 60.9753 34.4493 174.5550 114 K 5.3583 9.9608 126.3791 54.6674 36.5563 174.6348 115 L 5.2581 8.9617 126.0523 53.5942 44.1936 175.5379 116 V 5.6564 8.3406 118.6894 58.9778 35.7535 174.8448 117 G 5.0520 8.7746 109.0983 45.1756 0.0000 173.7309 118 R 3.6065 8.5131 119.3549 57.7813 29.4462 176.7438 119 D 4.7561 7.8244 118.9641 51.1839 42.9560 174.9300 120 P 4.1333 0.0000 0.0000 65.0747 31.3887 176.9652 121 K 3.8781 7.1008 118.3740 56.0580 32.5251 175.9842 122 N 4.3036 8.6460 123.1763 53.3784 39.0167 174.5414 123 N 4.8320 8.5143 120.8586 51.4831 41.1581 174.7868 124 L 3.9983 8.4184 129.2538 57.6223 41.6884 179.0319 125 E 3.9898 8.2970 118.9532 58.9799 29.5919 178.4809 126 A 3.9591 8.2091 121.1063 54.8312 18.3872 179.3311 127 L 4.0333 8.1121 119.1274 58.2572 42.1146 178.8693 128 E 3.9863 8.3803 119.4517 59.2180 29.5678 178.3416 129 D 4.3489 7.9717 117.9987 57.2105 41.2567 177.9297 130 F 4.1973 8.7557 121.7137 61.3824 39.4141 176.7463 131 E 3.6804 8.7399 119.3221 58.9828 29.3944 178.7249 132 K 3.8969 8.0123 119.6966 59.2311 32.2594 178.7791 133 A 3.8467 7.8900 120.9913 54.9791 18.3178 179.3797 134 A 3.8391 7.8451 119.5829 55.1120 18.3287 180.1534 135 G 3.4237 7.9424 103.9742 47.9387 0.0000 175.9067 136 A 3.9708 7.6821 122.1861 54.3886 18.4418 178.4810 137 R 3.7727 7.5682 114.0101 56.1223 30.3820 176.8752 138 G 3.8087 7.8244 106.1272 46.7432 0.0000 174.1669 139 L 4.7629 8.2382 117.3382 53.9279 42.5321 179.0354 140 S 4.1357 8.2371 115.9729 60.9368 62.8167 174.9649 141 T 4.3149 7.6463 108.7511 61.5708 69.3471 174.7213 142 E 4.2085 7.7126 121.9998 56.2462 30.2760 176.7567 143 S 4.5039 8.4324 116.3434 58.8702 64.4095 173.2146 144 I 5.0876 8.2972 121.9977 59.4983 40.3196 174.6328 145 L 4.6143 9.1240 128.8050 53.5126 44.6181 175.3311 146 I 4.4372 8.3819 128.1203 58.4216 36.7068 173.3700 147 P 4.2965 0.0000 0.0000 62.6295 31.9597 176.7275 148 R 4.0976 8.4574 120.9096 56.6859 31.1899 174.9868 149 Q 5.0999 8.6153 125.0364 54.9491 30.4715 174.9827 150 S 4.6737 8.9706 117.0158 56.6283 65.7573 174.5638 151 E 4.0314 9.0526 126.3338 58.5382 29.7957 175.9305 152 T 4.6956 7.4920 106.3863 60.1429 72.1206 172.7807 153 C 4.9346 8.6220 120.7780 54.8082 45.5347 173.5332 154 S 4.3435 8.6031 121.7274 58.7445 63.0505 173.8059 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 13 V 8.05 4.35 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 0.24 0.00 0.00 0.58 0.00 0.00 14 S 7.88 4.31 0.00 3.99 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 G 9.74 3.92 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 0.00 0.00 0.00 16 T 8.09 4.82 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 0.81 0.00 0.00 17 W 9.25 5.14 0.00 3.04 3.03 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 18 Y 9.19 4.88 0.00 3.06 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 19 L 8.78 4.62 0.00 1.64 1.64 1.00 0.63 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 20 K 9.28 4.49 0.00 1.64 1.84 0.00 1.97 0.00 0.00 1.96 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.61 7.81 21 A 7.51 4.73 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 M 8.28 5.44 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.50 0.00 23 T 8.84 4.79 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 1.25 0.00 0.00 24 V 8.35 4.36 2.13 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 0.80 0.00 0.00 1.04 0.00 0.00 25 D 8.72 4.55 0.00 2.69 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.60 3.98 0.00 1.80 1.91 0.00 3.28 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 27 E 9.56 4.15 0.00 1.73 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 1.47 2.10 0.00 28 F 8.27 4.58 0.00 3.12 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 *32 N 8.43 4.44 0.00 2.90 2.80 0.00 0.00 6.57 6.66 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 33 L 8.48 4.09 0.00 1.71 1.62 1.03 1.02 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 34 E 9.39 4.39 0.00 1.99 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 2.31 2.45 0.00 35 S 7.71 4.95 0.00 3.86 3.65 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 36 V 8.64 5.00 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 0.74 0.00 0.00 0.98 0.00 0.00 37 T 8.25 5.71 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 1.27 0.00 0.00 38 P 0.00 4.22 0.00 1.82 1.65 0.00 3.63 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 39 M 8.85 4.69 0.00 2.09 1.82 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.40 0.00 40 T 9.05 4.91 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 41 L 9.45 5.07 0.00 1.86 1.66 0.53 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 42 T 8.67 4.90 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 43 T 8.71 4.56 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 1.22 0.00 0.00 44 L 8.41 4.48 0.00 1.65 1.69 1.05 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.88 3.71 0.00 2.16 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 0.00 2.21 2.29 0.00 46 G 8.28 3.81 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 0.00 0.00 0.00 47 G 8.35 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 0.00 0.00 0.00 0.00 48 N 7.63 4.92 0.00 3.01 2.78 0.00 0.00 6.62 6.62 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 49 L 8.92 5.25 0.00 1.38 1.37 0.63 0.60 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 50 E 8.92 5.04 0.00 1.97 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 2.13 2.19 0.00 51 A 8.93 5.01 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.80 5.06 0.00 1.74 1.56 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.27 1.39 7.81 53 V 8.62 4.64 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 0.55 0.00 0.00 0.92 0.00 0.00 54 T 8.51 5.00 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 1.22 0.00 0.00 55 M 9.05 5.07 0.00 1.89 1.91 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 56 L 8.99 4.66 0.00 1.76 1.73 0.90 1.27 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 57 I 8.56 4.73 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 1.24 0.86 0.91 0.00 0.00 58 S 9.60 4.07 0.00 3.99 3.90 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 59 G 9.05 4.11 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 0.00 0.00 0.00 60 R 7.53 4.51 0.00 1.88 1.81 0.00 3.11 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 61 C 8.65 4.92 0.00 2.85 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 62 Q 9.09 4.56 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.97 0.00 0.00 0.00 0.00 0.00 2.27 2.44 0.00 63 E 8.79 4.50 0.00 1.96 1.85 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 2.25 2.28 0.00 64 V 8.98 4.33 2.19 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 0.80 0.00 0.00 0.90 0.00 0.00 65 K 8.36 5.08 0.00 1.71 1.58 0.00 1.92 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.28 1.48 7.81 66 A 9.16 4.68 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 0.00 0.00 0.00 0.00 0.00 67 V 8.43 4.45 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 0.84 0.00 0.00 0.91 0.00 0.00 68 L 9.11 4.68 0.00 1.44 1.53 0.65 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 69 E 9.23 4.81 0.00 1.93 1.88 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 2.32 2.28 0.00 70 K 8.92 4.01 0.00 1.74 1.68 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.17 7.81 71 T 7.58 4.70 4.11 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 1.09 0.00 0.00 72 D 8.78 4.31 0.00 2.66 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 73 E 7.56 4.40 0.00 2.03 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 2.27 2.29 0.00 74 P 0.00 4.38 0.00 2.10 2.01 0.00 3.75 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 2.04 2.08 0.00 75 G 9.05 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 K 7.46 4.74 0.00 1.63 1.63 0.00 1.89 0.00 0.00 1.57 0.00 0.00 2.58 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.97 0.32 7.81 77 Y 9.14 5.08 0.00 2.84 2.86 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 78 T 8.70 5.28 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 1.16 0.00 0.00 79 A 9.00 4.71 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 80 D 9.44 4.03 0.00 2.89 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 81 G 8.70 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 82 G 8.17 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 83 K 7.66 4.18 0.00 1.99 1.88 0.00 1.89 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.62 7.81 84 H 8.16 5.07 0.00 3.20 3.28 0.00 5.72 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 8.79 4.81 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 0.83 0.00 0.00 0.89 0.00 0.00 86 A 9.05 4.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 8.88 5.17 0.00 2.92 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 88 I 9.25 5.12 2.05 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 1.65 0.71 1.04 0.00 0.00 89 I 8.49 4.68 1.92 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 1.19 0.72 1.00 0.00 0.00 90 R 8.49 3.22 0.00 1.67 1.71 0.00 3.26 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.68 0.00 91 S 8.15 4.71 0.00 3.96 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 92 H 8.85 4.31 0.00 3.25 3.45 0.00 5.79 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 93 V 7.49 4.02 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 0.87 0.00 0.00 0.70 0.00 0.00 94 K 8.65 3.84 0.00 1.79 1.77 0.00 1.97 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.54 7.81 95 D 9.11 4.75 0.00 2.96 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 H 8.04 5.83 0.00 3.44 3.26 0.00 5.75 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 9.32 4.99 0.00 2.68 2.75 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 98 I 8.83 5.06 1.98 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.05 1.05 0.00 0.00 99 F 9.82 5.39 0.00 3.11 3.08 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 0.00 100 Y 8.26 5.38 0.00 3.03 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 0.00 101 S 7.46 4.54 0.00 3.65 3.35 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 0.00 102 E 8.43 4.94 0.00 1.82 1.80 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 2.22 2.09 0.00 103 G 8.55 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 0.00 104 E 8.47 5.09 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 2.26 2.31 0.00 105 L 9.15 4.33 0.00 1.78 2.35 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 *108 K 7.64 4.15 0.00 1.87 2.01 0.00 1.88 0.00 0.00 1.93 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.66 1.62 7.81 109 P 0.00 4.77 0.00 2.16 2.08 0.00 3.68 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00 110 V 8.89 4.63 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 1.05 0.00 0.00 1.02 0.00 0.00 111 R 7.38 5.47 0.00 1.93 1.89 0.00 3.29 0.00 0.00 3.28 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 112 G 8.20 4.26 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 0.00 113 V 8.62 5.30 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 1.06 0.00 0.00 1.05 0.00 0.00 114 K 9.96 5.36 0.00 1.94 1.75 0.00 1.77 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.62 7.81 115 L 8.96 5.26 0.00 1.52 1.29 1.13 0.75 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 0.00 116 V 8.34 5.66 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 0.75 0.00 0.00 0.73 0.00 0.00 117 G 8.77 5.05 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 0.00 0.00 0.00 118 R 8.51 3.61 0.00 1.46 1.73 0.00 2.75 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 1.13 0.00 119 D 7.82 4.76 0.00 2.65 2.45 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 0.00 120 P 0.00 4.13 0.00 1.81 0.78 0.00 3.43 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.33 0.00 121 K 7.10 3.88 0.00 1.63 1.87 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.44 7.81 122 N 8.65 4.30 0.00 2.73 2.74 0.00 0.00 6.70 8.00 0.00 0.00 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 N 8.51 4.83 0.00 2.72 2.61 0.00 0.00 7.22 6.66 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 0.00 124 L 8.42 4.00 0.00 1.73 1.72 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 125 E 8.30 3.99 0.00 2.03 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 2.42 2.41 0.00 126 A 8.21 3.96 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 L 8.11 4.03 0.00 1.89 1.89 0.89 0.88 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 0.00 128 E 8.38 3.99 0.00 2.23 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 0.00 2.34 2.34 0.00 129 D 7.97 4.35 0.00 2.97 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 0.00 130 F 8.76 4.20 0.00 3.20 3.26 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 0.00 131 E 8.74 3.68 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 2.29 2.30 0.00 132 K 8.01 3.90 0.00 1.98 2.01 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.42 7.81 133 A 7.89 3.85 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 0.00 134 A 7.85 3.84 1.03 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 0.00 135 G 7.94 3.42 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 0.00 136 A 7.68 3.97 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 0.00 137 R 7.57 3.77 0.00 1.56 1.50 0.00 2.21 0.00 0.00 2.47 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.09 0.00 138 G 7.82 3.81 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 0.00 0.00 0.00 139 L 8.24 4.76 0.00 1.57 1.60 1.03 0.77 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 0.00 140 S 8.24 4.14 0.00 3.93 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 0.00 141 T 7.65 4.31 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 1.20 0.00 0.00 142 E 7.71 4.21 0.00 2.10 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 2.45 2.44 0.00 143 S 8.43 4.50 0.00 3.82 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 0.00 144 I 8.30 5.09 1.98 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.72 1.09 0.00 0.00 145 L 9.12 4.61 0.00 1.75 1.53 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 146 I 8.38 4.44 1.86 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 1.33 0.71 0.99 0.00 0.00 147 P 0.00 4.30 0.00 2.19 2.09 0.00 3.90 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.98 0.00 148 R 8.46 4.10 0.00 1.93 2.02 0.00 3.17 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 149 Q 8.62 5.10 0.00 1.97 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.52 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 150 S 8.97 4.67 0.00 3.85 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 0.00 151 E 9.05 4.03 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 2.31 2.37 0.00 152 T 7.49 4.70 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 0.00 153 C 8.62 4.93 0.00 2.91 2.98 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 0.00 154 S 8.60 4.34 0.00 3.85 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 * Residues marked with a * may have inaccurate shift predictions.