NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 18 A 4.2862 8.2644 123.5849 51.9137 19.9489 175.8307 19 L 4.2320 8.3959 124.4077 54.3682 43.6495 174.2278 20 N 4.1767 9.5347 121.7091 53.9741 36.7222 174.4740 21 L 4.1223 7.8065 116.7088 54.3713 42.6272 176.6225 22 P 4.1862 0.0000 0.0000 64.8738 31.7919 176.0979 23 Y 4.2939 8.5805 116.9711 55.9248 39.9690 174.3602 24 D 4.8924 8.3196 123.4219 52.6543 40.9606 176.7166 25 E 4.4875 8.5459 126.0871 58.0079 29.6575 177.6360 26 H 4.7195 8.0951 114.3332 55.4170 29.7305 175.2694 27 A 4.0938 7.5918 122.6315 52.0707 18.8671 178.1774 28 D 4.6585 8.4505 120.3064 53.0774 40.5165 176.8849 29 A 3.9716 8.3119 128.3896 54.5148 18.5663 178.8888 30 W 4.1487 8.2628 117.0178 60.2767 29.0833 178.6670 31 T 3.9736 8.3467 115.3451 66.8204 67.9423 176.7209 32 Q 3.9834 8.1964 119.9332 58.9763 28.6353 179.1536 33 V 3.5062 8.2093 119.7110 65.6170 31.5202 177.8867 34 K 3.9791 8.4145 119.7072 59.6188 32.2150 178.6760 35 K 3.9564 8.4687 119.9090 59.3866 32.0079 178.6787 36 A 4.0256 8.1562 121.1868 55.0891 18.2647 179.6430 37 L 3.9925 8.3874 117.7414 57.7915 41.6534 179.5990 38 A 3.9969 8.3257 120.7406 55.0261 18.2122 179.5870 39 A 4.0614 7.9903 119.1454 55.1796 18.3891 180.0973 40 G 3.6332 8.4541 106.0695 47.1837 0.0000 175.7722 41 K 4.1432 8.2579 123.6865 58.6840 32.0185 178.7710 42 R 3.9326 7.9335 117.8561 59.3844 30.1811 177.8079 43 T 4.2175 8.0501 106.2950 60.9489 70.0149 173.6016 44 H 4.1020 7.7873 120.2645 57.8535 28.8093 173.9749 45 K 4.8000 8.0490 117.2649 53.5091 36.2246 175.6747 46 P 4.7510 0.0000 0.0000 63.4190 33.0928 174.8075 47 T 5.0761 9.1444 117.9400 61.9106 71.2477 173.2408 48 L 4.9261 9.2334 128.6341 53.5699 43.9372 174.8522 49 L 4.6930 8.8443 127.7478 53.2773 43.7327 175.7791 50 V 4.6585 8.5039 124.9377 61.2711 33.7117 174.1160 51 F 4.9302 9.3251 128.4765 56.6773 40.7503 176.0331 52 G 3.8414 8.4149 108.4671 47.6104 0.0000 171.9110 53 A 4.1235 6.5795 120.1754 50.7598 21.7837 177.5160 54 N 4.4799 8.4138 117.3227 55.6259 38.8445 177.1035 55 W 4.2629 7.7224 114.0415 58.2160 28.8771 176.0227 56 C 4.0063 6.7922 120.4355 58.1323 31.6641 174.0115 57 T 3.8634 8.4337 119.7394 65.0005 68.3830 176.1551 58 D 4.3184 7.9488 121.2976 57.2775 40.8913 178.3011 59 C 4.1269 7.7815 116.8943 62.8052 28.1854 176.1525 60 R 3.9248 8.1641 119.5806 59.1053 29.6293 178.9859 61 A 3.9730 8.1693 120.7154 54.9250 18.2901 179.3861 62 L 3.8768 8.1011 119.0334 58.3561 42.3111 178.6655 63 D 4.1828 8.0910 117.9087 57.1623 40.8977 178.1100 64 K 3.8832 7.8859 118.9861 59.5660 32.5086 178.3643 65 S 4.2368 8.1653 113.3643 61.4475 62.1438 176.1159 66 L 4.0475 7.9461 120.3325 57.2637 41.3446 179.1568 67 R 4.1154 7.5488 116.9263 57.1768 30.3938 176.5030 68 N 4.6055 7.4794 116.7357 52.1565 38.5871 176.0169 69 Q 3.9092 8.6766 119.1067 59.2201 29.1914 178.0684 70 K 3.9513 7.9726 120.1103 59.7566 32.3012 178.3649 71 N 4.6204 9.1667 117.0883 56.4019 38.4458 177.5206 72 T 3.8299 8.3208 117.4430 66.6632 68.5552 176.4294 73 A 4.0032 7.9677 122.2694 54.9460 18.2811 179.3279 74 L 4.0149 7.9746 118.7254 58.5546 42.1564 179.4202 75 I 4.0515 8.0538 119.4706 64.4435 36.8534 178.3356 76 A 4.0090 8.2151 120.9509 55.0266 18.2572 179.3082 77 K 3.9548 8.0420 117.4005 59.1883 32.3342 177.3295 78 H 4.5046 7.7542 114.1605 55.6982 30.1614 174.4896 79 F 5.3066 8.0828 116.4641 55.6479 42.9807 174.4310 80 E 4.5579 9.1108 120.9149 55.7878 31.1809 175.7134 81 V 4.8531 8.1822 121.5034 61.1889 34.9737 174.7301 82 V 4.3428 8.6023 126.2385 61.0650 34.8827 173.9403 83 K 4.7144 8.5229 126.9960 55.1101 33.6550 175.8004 84 I 4.2577 8.6278 126.4319 59.1182 39.4895 174.5823 85 D 4.6733 8.7642 128.0498 54.2919 42.1646 176.7568 86 V 5.0034 8.2098 117.9195 59.4549 33.0564 177.0085 87 G 3.8039 8.0577 108.9597 46.9730 0.0000 175.6809 88 N 4.5622 8.7680 115.1747 53.5792 37.6346 175.1036 89 F 3.9480 7.5261 112.2233 58.1633 37.1914 177.1481 90 D 4.8279 8.4735 113.1508 53.8692 41.3620 175.1801 91 R 4.6626 7.5162 117.7310 56.0936 34.1572 174.6325 92 N 4.1970 8.9876 115.9857 54.3100 36.5342 176.7632 93 L 4.1709 8.0443 120.4831 57.7419 41.6985 178.6622 94 E 4.3626 8.2691 118.5882 58.6133 29.8325 178.8116 95 L 3.8350 7.9472 121.2474 57.6955 42.1774 178.4735 96 S 3.8197 8.1019 112.7793 61.5760 62.2327 176.2166 97 Q 4.3903 8.6527 121.8824 58.4474 28.1911 178.8431 98 A 4.1850 8.1102 120.9290 54.1611 18.3590 177.6732 99 Y 4.4672 7.4736 112.7678 57.9353 38.4324 176.3158 100 G 3.8444 7.6532 106.7630 45.4044 0.0000 173.9927 101 D 4.3024 8.2464 116.6204 54.0781 38.8401 174.2587 102 P 4.1113 0.0000 0.0000 65.5354 31.7075 177.4370 103 I 4.1730 7.0516 110.7707 62.1259 38.0020 177.5863 104 Q 3.9863 7.8164 119.8400 58.1626 28.5526 176.4996 105 D 4.6408 7.7874 116.7950 53.5891 41.3362 175.6567 106 G 4.0694 7.7297 106.7936 44.4243 0.0000 173.4891 107 I 4.6685 8.1552 112.1507 57.6513 40.2821 173.3313 108 P 4.7520 0.0000 0.0000 63.1024 32.1590 175.2190 109 A 4.8708 8.9242 121.8644 50.4643 23.0632 175.4315 110 V 5.1667 8.7718 112.2405 59.5904 36.2849 174.9325 111 V 4.8635 8.8437 122.4977 61.1619 34.9430 174.2384 112 V 4.8195 9.1042 127.9358 61.3381 33.6485 174.2333 113 V 4.8552 8.8109 128.5328 61.0473 33.8518 175.3628 114 N 4.9499 9.1778 125.8673 52.6397 39.4877 176.2460 115 S 4.1869 8.5402 113.5772 60.9126 63.0985 175.2603 116 D 4.6739 8.1203 119.0233 53.4368 39.5095 177.0974 117 G 4.0434 8.6400 109.1013 45.3568 0.0000 173.4962 118 K 4.6182 8.1302 119.7538 54.0311 33.9043 176.2208 119 V 4.1124 8.4411 122.9040 63.5740 32.1603 175.1820 120 R 4.5061 9.1861 127.5042 58.1687 31.3838 175.7709 121 Y 5.0645 7.7034 118.0724 56.6290 42.3582 173.5659 122 T 4.8465 7.6498 121.0779 61.6007 72.8516 173.7590 123 T 4.0007 8.2061 115.5761 61.2242 69.0258 174.4996 124 K 4.6742 8.1846 124.2015 55.2224 32.8962 176.7587 125 G 4.1104 8.5455 107.4487 44.9095 0.0000 173.0828 126 G 3.9289 8.3117 105.9636 45.9102 0.0000 176.5216 127 E 3.9035 8.5871 121.1911 58.6375 29.8563 178.3334 128 L 4.3886 7.6091 115.2158 54.2608 42.1770 177.7047 129 A 4.4341 7.9389 122.2476 53.4921 18.5473 178.4112 130 N 5.1114 7.7796 113.6303 52.5019 39.4205 176.7526 131 A 3.9587 7.7855 123.9620 55.0329 18.6108 180.3154 132 R 3.9912 8.3924 111.9230 58.5541 30.0618 177.7318 133 K 4.2157 7.8540 121.2803 55.1401 30.9684 175.8606 *135 S 4.3057 7.3586 115.5386 58.0609 65.8963 174.3099 136 D 4.4323 8.4711 121.6128 57.6829 40.4793 178.9726 137 Q 4.1676 8.1649 119.8064 59.0117 29.1687 178.1748 138 G 3.7358 8.4874 107.1526 47.8389 0.0000 175.8379 139 I 3.8869 8.0787 122.2298 64.2494 37.1705 177.6428 140 Y 4.1672 8.5129 120.8056 61.1537 38.5951 178.1738 141 D 4.4647 8.8521 120.0234 57.1497 40.6645 178.4650 142 F 3.8407 8.0483 120.3089 61.5049 39.5278 177.0313 143 F 4.1383 8.2685 116.7666 60.1133 38.7110 177.7073 144 A 3.7920 8.2395 121.1317 54.8508 17.9589 179.3787 145 K 3.6869 7.9614 118.1387 59.8706 31.9322 179.0510 146 I 3.5902 7.0270 119.1438 64.1924 37.0903 177.8740 147 T 3.9852 7.4919 108.6355 63.0104 68.9667 174.5646 148 E 4.0625 7.5237 126.2856 56.7462 29.4379 176.4848 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 18 A 8.26 4.29 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 19 L 8.40 4.23 0.00 1.67 1.56 0.92 0.71 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 20 N 9.53 4.18 0.00 2.89 2.84 0.00 0.00 7.01 7.85 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 21 L 7.81 4.12 0.00 1.64 1.84 0.94 1.14 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 22 P 0.00 4.19 0.00 1.74 2.20 0.00 3.90 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.97 0.00 23 Y 8.58 4.29 0.00 3.07 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 24 D 8.32 4.89 0.00 2.64 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 25 E 8.55 4.49 0.00 1.82 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.29 0.00 26 H 8.10 4.72 0.00 3.30 3.35 0.00 5.66 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 27 A 7.59 4.09 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 28 D 8.45 4.66 0.00 2.78 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 29 A 8.31 3.97 1.24 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 0.00 0.00 30 W 8.26 4.15 0.00 3.45 3.31 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 31 T 8.35 3.97 4.47 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 1.26 0.00 0.00 32 Q 8.20 3.98 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 33 V 8.21 3.51 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 0.94 0.00 0.00 0.70 0.00 0.00 34 K 8.41 3.98 0.00 2.13 2.05 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.56 7.81 35 K 8.47 3.96 0.00 1.87 1.96 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.47 7.81 36 A 8.16 4.03 1.35 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 0.00 0.00 37 L 8.39 3.99 0.00 1.87 1.80 1.08 0.72 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 38 A 8.33 4.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.99 4.06 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.45 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 41 K 8.26 4.14 0.00 1.98 2.00 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.34 7.81 42 R 7.93 3.93 0.00 1.97 2.15 0.00 3.31 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 43 T 8.05 4.22 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 1.25 0.00 0.00 44 H 7.79 4.10 0.00 3.22 3.38 0.00 5.89 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.05 4.80 0.00 1.69 1.59 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.25 1.46 7.81 46 P 0.00 4.75 0.00 2.35 2.24 0.00 3.67 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 1.93 1.86 0.00 47 T 9.14 5.08 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 1.17 0.00 0.00 48 L 9.23 4.93 0.00 1.23 1.46 0.86 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.84 4.69 0.00 1.58 1.15 0.21 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.50 4.66 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 0.83 0.00 0.00 0.84 0.00 0.00 51 F 9.33 4.93 0.00 2.91 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 52 G 8.41 3.84 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 0.00 0.00 0.00 53 A 6.58 4.12 0.58 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 0.00 0.00 54 N 8.41 4.48 0.00 2.76 2.93 0.00 0.00 6.97 7.68 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 55 W 7.72 4.26 0.00 3.52 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 56 C 6.79 4.01 0.00 1.23 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 0.00 0.00 0.00 0.00 57 T 8.43 3.86 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 1.26 0.00 0.00 58 D 7.95 4.32 0.00 2.63 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 59 C 7.78 4.13 0.00 3.04 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 60 R 8.16 3.92 0.00 1.96 1.96 0.00 3.13 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 61 A 8.17 3.97 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.10 3.88 0.00 1.82 1.82 1.02 1.24 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 63 D 8.09 4.18 0.00 2.82 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 64 K 7.89 3.88 0.00 1.84 1.96 0.00 1.85 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.43 7.81 65 S 8.17 4.24 0.00 3.95 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 66 L 7.95 4.05 0.00 1.50 1.54 0.53 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 67 R 7.55 4.12 0.00 2.00 1.95 0.00 3.12 0.00 0.00 3.21 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.80 0.00 68 N 7.48 4.61 0.00 2.97 2.96 0.00 0.00 6.43 7.52 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 69 Q 8.68 3.91 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 70 K 7.97 3.95 0.00 1.82 1.78 0.00 1.55 0.00 0.00 1.56 0.00 0.00 2.13 0.00 0.00 2.18 0.00 0.00 0.00 0.00 1.43 1.43 7.81 71 N 9.17 4.62 0.00 2.98 2.88 0.00 0.00 7.07 7.08 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 72 T 8.32 3.83 4.43 0.00 0.00 0.00 0.00 0.00 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 73 A 7.97 4.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.97 4.01 0.00 2.04 1.98 0.86 0.74 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 75 I 8.05 4.05 1.85 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.41 0.86 0.00 0.00 76 A 8.22 4.01 1.36 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 0.00 0.00 77 K 8.04 3.95 0.00 1.75 1.98 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.92 1.30 7.81 78 H 7.75 4.50 0.00 2.79 2.46 0.00 5.85 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 F 8.08 5.31 0.00 2.99 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 80 E 9.11 4.56 0.00 1.93 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 2.32 2.51 0.00 81 V 8.18 4.85 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 0.62 0.00 0.00 0.88 0.00 0.00 82 V 8.60 4.34 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 0.83 0.00 0.00 0.88 0.00 0.00 83 K 8.52 4.71 0.00 1.39 1.28 0.00 0.88 0.00 0.00 1.18 0.00 0.00 2.50 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.04 1.17 7.81 84 I 8.63 4.26 0.96 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.40 0.71 0.00 0.00 85 D 8.76 4.67 0.00 2.86 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.21 5.00 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 0.85 0.00 0.00 0.70 0.00 0.00 87 G 8.06 3.80 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 0.00 0.00 0.00 88 N 8.77 4.56 0.00 2.89 2.68 0.00 0.00 7.06 7.48 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 89 F 7.53 3.95 0.00 3.22 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.47 4.83 0.00 2.75 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 R 7.52 4.66 0.00 1.84 1.82 0.00 3.41 0.00 0.00 3.41 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 92 N 8.99 4.20 0.00 3.10 2.89 0.00 0.00 7.06 6.74 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 93 L 8.04 4.17 0.00 1.77 1.79 1.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.27 4.36 0.00 2.35 2.36 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 2.94 2.45 0.00 95 L 7.95 3.84 0.00 1.24 1.79 -0.39 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 96 S 8.10 3.82 0.00 3.75 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 97 Q 8.65 4.39 0.00 2.35 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.58 2.46 0.00 98 A 8.11 4.19 1.38 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 99 Y 7.47 4.47 0.00 3.16 3.01 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 0.00 100 G 7.65 3.84 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 0.00 0.00 0.00 101 D 8.25 4.30 0.00 2.81 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 0.00 102 P 0.00 4.11 0.00 1.88 1.98 0.00 3.57 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.13 0.00 103 I 7.05 4.17 2.05 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.70 0.78 0.00 0.00 104 Q 7.82 3.99 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.99 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 105 D 7.79 4.64 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 0.00 106 G 7.73 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 0.00 107 I 8.16 4.67 1.70 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.75 0.96 0.00 0.00 108 P 0.00 4.75 0.00 2.11 2.09 0.00 3.78 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.94 0.00 109 A 8.92 4.87 1.24 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 0.00 0.00 110 V 8.77 5.17 2.23 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 0.97 0.00 0.00 1.13 0.00 0.00 111 V 8.84 4.86 2.17 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 1.11 0.00 0.00 1.02 0.00 0.00 112 V 9.10 4.82 2.30 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 0.98 0.00 0.00 1.17 0.00 0.00 113 V 8.81 4.86 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 0.95 0.00 0.00 0.91 0.00 0.00 114 N 9.18 4.95 0.00 3.09 2.77 0.00 0.00 6.42 8.01 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 0.00 115 S 8.54 4.19 0.00 4.12 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 0.00 116 D 8.12 4.67 0.00 2.85 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 0.00 117 G 8.64 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 0.00 118 K 8.13 4.62 0.00 1.97 1.77 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.53 7.81 119 V 8.44 4.11 2.17 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 0.87 0.00 0.00 1.17 0.00 0.00 120 R 9.19 4.51 0.00 2.03 2.16 0.00 3.35 0.00 0.00 3.22 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 121 Y 7.70 5.06 0.00 3.04 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 0.00 122 T 7.65 4.85 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 1.11 0.00 0.00 123 T 8.21 4.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 124 K 8.18 4.67 0.00 1.70 1.81 0.00 1.77 0.00 0.00 0.61 0.00 0.00 2.95 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.23 1.24 7.81 125 G 8.55 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 0.00 126 G 8.31 3.93 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 0.00 127 E 8.59 3.90 0.00 2.00 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 0.00 2.61 2.54 0.00 128 L 7.61 4.39 0.00 1.70 1.47 0.59 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 129 A 7.94 4.43 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 0.00 130 N 7.78 5.11 0.00 2.72 2.79 0.00 0.00 7.02 7.46 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 0.00 131 A 7.79 3.96 1.38 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 0.00 132 R 8.39 3.99 0.00 1.92 2.14 0.00 3.07 0.00 0.00 3.55 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 133 K 7.85 4.22 0.00 1.89 1.82 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.51 7.81 *135 S 7.36 4.31 0.00 4.10 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 0.00 136 D 8.47 4.43 0.00 2.73 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 0.00 137 Q 8.16 4.17 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.46 2.71 0.00 138 G 8.49 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 I 8.08 3.89 2.13 0.00 0.00 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 1.47 1.23 1.14 0.00 0.00 140 Y 8.51 4.17 0.00 3.41 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 D 8.85 4.46 0.00 2.94 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 0.00 142 F 8.05 3.84 0.00 3.03 3.07 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 0.00 143 F 8.27 4.14 0.00 3.19 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 0.00 144 A 8.24 3.79 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 0.00 145 K 7.96 3.69 0.00 1.77 1.61 0.00 1.52 0.00 0.00 1.54 0.00 0.00 2.76 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.17 1.32 7.81 146 I 7.03 3.59 2.16 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.13 1.12 0.00 0.00 147 T 7.49 3.99 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 1.03 0.00 0.00 148 E 7.52 4.06 0.00 1.99 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 2.30 2.39 0.00 * Residues marked with a * may have inaccurate shift predictions.