NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.4487 8.2929 115.4166 57.9344 64.6038 175.0561 1 M 3.9767 8.4606 121.7764 59.7993 31.0142 176.6688 2 T 4.1556 8.7416 117.1457 66.5245 69.0340 175.9964 3 D 4.4363 7.8940 120.8567 57.7595 40.8947 178.7074 4 C 4.3019 7.8992 116.4661 62.7813 28.2546 175.9860 5 E 4.0671 8.5544 120.4433 59.3035 28.9752 179.0849 6 F 4.2363 8.9784 121.1733 61.3886 39.4916 177.3203 7 G 3.7232 8.3513 105.3099 47.9379 0.0000 174.8484 8 Y 3.8670 8.0886 121.8009 60.6541 38.8382 178.4716 9 I 3.5692 7.7184 120.2587 64.3489 37.1046 177.7271 10 Y 3.8328 7.8674 120.7106 60.5541 38.5162 178.2935 11 R 3.5533 7.9368 119.5459 59.1962 30.1860 178.3259 12 L 3.5996 7.4735 118.5255 57.7760 41.5864 179.5263 13 A 4.5317 7.9715 121.8964 54.5844 18.3071 179.7035 14 Q 3.7990 7.8000 118.1540 58.6630 28.7436 178.5450 15 D 4.2983 8.3529 120.0973 57.7550 40.5428 178.5544 16 Y 4.0965 7.9819 119.7527 60.5927 38.7832 177.8016 17 L 3.7753 7.7998 120.8694 58.1411 42.1485 178.9895 18 Q 3.9558 8.1392 118.1317 58.8181 28.4415 178.2591 19 C 4.0450 8.1460 120.0153 62.3353 31.3950 175.7615 20 V 3.5166 7.3744 118.9228 65.8564 31.2354 177.4021 21 L 4.1619 7.8140 115.4623 54.2361 42.5211 176.4118 22 Q 3.3722 7.3983 117.2324 56.7986 26.4850 174.5735 23 I 4.1202 8.0372 118.9584 59.1266 37.8308 174.8137 24 P 4.1812 0.0000 0.0000 62.4361 31.6573 176.6021 *31 S 4.2178 8.3584 117.9774 57.4091 65.3307 174.1853 32 K 3.8008 8.4476 123.3500 60.3119 31.8281 178.8343 33 T 4.0361 8.0009 115.1032 66.9663 68.3832 176.2314 34 S 3.8896 7.8152 114.2171 61.4273 62.3878 176.4640 35 R 3.9153 8.3553 121.1887 59.0637 29.7870 179.0853 36 V 3.6213 8.2193 118.5046 65.9932 31.5356 177.6574 37 L 4.1308 8.4094 120.2892 58.4691 41.8338 178.9163 38 Q 4.3031 8.4322 118.1487 59.1152 28.1905 178.6709 39 N 4.3760 8.3190 117.5882 56.4326 38.5940 177.9467 40 V 3.7465 7.9321 120.3445 64.8078 31.5850 178.2674 41 A 3.9412 8.5114 121.9688 54.6109 18.1067 179.3911 42 F 4.1369 8.7768 121.0459 61.0134 39.4565 177.5618 43 S 4.3756 8.1769 113.3520 61.1056 62.8748 176.4862 44 V 3.5915 8.1270 122.1603 66.0404 31.1701 177.6937 45 Q 3.9799 8.6829 119.4967 59.1595 28.6867 178.4666 46 K 3.9272 8.0950 119.3702 59.3733 32.0405 178.8707 47 E 3.9670 8.0001 119.1244 59.3684 29.6865 178.9443 48 V 3.5852 8.0340 118.4136 66.2220 31.3562 177.8403 49 E 4.0593 8.2926 117.5658 58.9649 29.5875 179.0649 50 K 4.1877 7.8506 118.9886 59.8471 32.8603 179.0401 51 N 4.5804 8.4247 116.6741 54.7967 38.6097 175.7649 52 L 4.7020 7.5176 118.3328 53.9837 42.8439 177.7663 53 K 3.8123 7.8557 121.5373 60.0841 31.6161 178.9083 54 S 4.0940 7.9054 113.4316 61.9098 63.1454 175.5848 55 C 4.1794 8.0563 120.8572 62.7075 31.3688 175.4348 56 L 4.0502 8.7999 120.6919 57.8819 41.0810 179.3919 57 D 4.5010 8.3369 118.2011 56.5338 40.7013 176.8829 58 N 4.7526 7.8756 115.0221 52.7215 38.7976 174.3979 59 V 4.2428 7.4800 119.2884 61.1044 32.7831 174.7540 60 N 4.6687 8.6988 124.9923 52.1711 39.2058 175.2090 61 V 4.2143 8.1462 123.7516 61.3341 31.2399 175.6192 62 V 4.8467 8.3420 118.9575 61.9808 32.5544 176.7139 63 S 4.7420 7.9385 113.5623 55.6725 67.4340 175.0233 64 V 3.7258 8.4028 120.6002 66.2617 31.1778 177.4970 65 D 4.3694 8.1606 118.5093 57.5691 40.7250 178.6025 66 T 4.0415 8.0054 109.6569 64.2013 68.9409 176.8089 67 A 3.9934 8.1754 123.8493 54.9764 18.3298 179.5429 68 R 2.5100 8.0072 117.1233 59.4441 30.1259 178.4811 69 T 3.8071 7.6637 115.4833 66.8433 68.5009 176.0935 70 L 3.9903 7.8920 121.7570 58.0693 42.0835 178.6339 71 F 4.4228 8.5963 120.9135 61.6904 39.3347 176.8227 72 N 4.1709 8.4678 116.2182 56.4569 38.3725 177.4963 73 Q 3.9357 8.1515 119.4028 58.8232 28.7552 178.9910 74 V 3.3980 7.8317 119.3699 66.0043 31.5904 177.9665 75 M 3.7076 7.7890 118.8484 58.1273 31.1070 178.1447 76 E 3.9747 8.0664 119.3450 59.4987 29.5748 179.1697 77 K 4.2478 7.5736 118.0693 58.8109 32.1524 178.6122 78 E 3.8165 8.2616 119.0539 58.6833 29.8324 178.0293 79 F 4.5807 7.9120 115.2001 57.0262 39.1799 177.2694 80 E 4.1314 7.8803 117.4626 58.4300 29.5693 177.9512 81 D 4.4844 7.9832 117.7578 53.6714 39.8232 177.1397 82 G 3.9250 8.2900 108.6428 45.5629 0.0000 173.3115 83 I 4.2459 7.5864 120.5772 59.7444 38.1658 175.1442 84 I 4.3433 7.9641 126.0911 59.2729 39.3700 174.9860 85 N 4.3563 7.6490 120.8296 50.0590 41.7073 175.5517 86 W 4.6434 8.9921 120.1819 59.7581 28.9179 178.9967 87 G 3.9237 8.5755 104.6627 48.1811 0.0000 175.4576 88 R 4.1072 8.7586 121.3229 58.9081 29.7995 179.2321 89 I 3.9502 7.9135 119.7262 64.4640 37.1141 178.4810 90 V 3.8414 8.2415 119.4282 66.3819 31.3193 178.2213 91 T 4.0465 7.8835 109.5372 64.6411 68.5446 176.5538 92 I 3.9227 7.7286 122.8675 64.4413 37.1346 178.3698 93 F 4.0445 8.2004 117.7942 60.3181 38.9460 177.2837 94 A 4.1260 8.0522 120.4994 55.4361 18.1905 179.5179 95 F 4.5041 8.9619 119.6402 61.4282 39.1336 177.1130 96 E 3.8947 8.6420 117.5744 59.3123 29.0878 179.3849 97 G 3.8899 8.3855 107.9712 47.1850 0.0000 175.7694 98 I 3.7140 7.6469 121.9535 64.0981 37.1011 178.5837 99 L 3.8413 7.5878 119.9116 57.5565 41.4772 179.3581 100 I 3.3822 7.6847 118.7122 63.6097 37.8464 178.2232 101 K 3.9050 7.6644 119.6127 59.4138 31.9122 179.5812 102 K 4.0246 7.8450 118.2446 58.9175 31.8824 179.3491 103 L 4.3018 8.0552 122.4740 57.5193 41.9702 178.6235 104 L 4.4675 7.3983 116.3584 57.3053 40.8638 178.3612 105 R 4.0624 7.8690 120.1162 58.5137 30.1811 176.5392 106 Q 4.5313 7.6787 113.1046 55.5259 30.4135 175.2763 107 Q 4.2832 8.4250 120.9515 56.6999 29.5197 175.8856 108 I 3.8514 8.5090 124.5571 62.3050 38.6234 174.9868 109 A 4.5909 7.6914 123.6945 49.3015 19.4173 173.9891 110 P 4.5471 0.0000 0.0000 63.3821 32.1648 176.0041 111 D 4.3483 8.4225 121.0091 52.7623 43.3598 174.9328 112 V 2.5374 8.0261 127.3701 64.9349 32.4242 177.3855 113 D 4.2373 8.0592 119.2892 57.5740 41.2141 178.0097 114 T 4.1424 8.3458 106.2225 63.2095 68.4015 174.6610 115 Y 4.7387 7.7883 119.9999 58.8963 38.0443 177.0657 116 K 3.9839 8.2922 121.1596 59.9387 32.2463 178.7711 117 E 4.1030 8.0951 118.0830 59.3131 29.3514 179.5470 118 I 2.3808 7.5792 119.4389 64.0605 37.0481 178.3384 119 S 3.9053 7.5691 116.0611 61.6193 62.5309 176.2733 120 Y 4.1597 8.3876 122.4713 60.7793 38.7140 178.1043 121 F 4.6836 8.0542 115.2736 59.5485 38.0706 177.8111 122 V 3.3462 7.3342 119.1117 65.7903 31.1978 177.8308 123 A 3.9486 8.1557 120.7607 55.0545 18.1173 179.2870 124 E 4.1300 8.5365 117.2726 59.6611 29.5188 179.4392 125 F 4.0914 8.4520 120.3051 61.4523 39.5031 177.1774 126 I 3.6503 8.0982 119.4112 64.5223 36.4415 178.1608 127 M 4.0929 8.3786 119.1313 58.9492 31.9738 178.0189 128 N 4.4037 7.9630 115.0002 55.3815 38.8746 176.3780 129 N 4.4792 7.8115 116.7570 53.7240 39.8683 176.2800 130 T 4.4567 7.5974 108.8951 61.2256 69.7860 176.3102 131 G 3.6532 7.7193 109.2203 48.0480 0.0000 175.4475 132 E 4.0222 8.1055 121.1125 58.3797 29.7005 178.3007 133 W 3.9152 8.1153 128.0821 60.5180 30.7355 177.5624 134 I 3.2757 8.1535 120.0141 64.6170 36.3336 178.5818 135 R 3.8765 7.5315 116.8391 59.2007 30.0089 178.5329 136 Q 4.1680 7.4750 114.9604 56.6496 28.7325 176.0833 137 N 4.5761 7.5567 118.2117 52.6595 39.0367 176.0718 138 G 3.8861 8.2374 106.9827 44.1626 0.0000 175.4842 139 G 3.9996 8.3710 110.4180 44.1305 0.0000 174.9533 140 W 4.1220 8.6681 117.3499 59.7559 29.2257 178.9483 141 E 4.1967 8.4229 116.6193 58.3170 29.2766 177.1383 142 N 4.8350 7.9332 113.7388 53.4969 40.2776 176.4500 143 G 3.9907 7.9692 106.8338 46.3062 0.0000 175.7070 144 F 2.9989 6.9704 122.4597 59.9808 39.5840 177.3813 145 V 3.4182 7.9648 117.7893 66.1352 31.2027 178.2030 146 K 4.0546 7.8596 115.9937 59.0792 31.8740 178.8893 147 K 3.8212 7.1846 118.0959 58.9700 32.3329 178.2223 148 F 4.3896 7.3535 114.7856 57.3762 39.4115 175.7504 149 E 4.1129 7.9599 121.8946 56.4619 29.3998 176.6264 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 0 S 8.29 4.45 0.00 4.03 4.09 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 1 M 8.46 3.98 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.26 0.00 2 T 8.74 4.16 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 1.26 0.00 0.00 3 D 7.89 4.44 0.00 2.85 2.78 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 4 C 7.90 4.30 0.00 3.05 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 5 E 8.55 4.07 0.00 2.25 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 2.39 2.48 0.00 6 F 8.98 4.24 0.00 3.18 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 7 G 8.35 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Y 8.09 3.87 0.00 3.19 3.12 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 9 I 7.72 3.57 1.93 0.00 0.00 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 1.73 0.77 0.99 0.00 0.00 10 Y 7.87 3.83 0.00 2.33 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 11 R 7.94 3.55 0.00 1.89 1.90 0.00 3.07 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.41 0.00 12 L 7.47 3.60 0.00 1.62 1.12 -0.65 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 13 A 7.97 4.53 1.27 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 0.00 0.00 0.00 14 Q 7.80 3.80 0.00 1.87 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.69 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 15 D 8.35 4.30 0.00 2.72 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 16 Y 7.98 4.10 0.00 3.02 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.80 3.78 0.00 1.89 1.70 0.76 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 8.14 3.96 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 19 C 8.15 4.04 0.00 3.07 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 20 V 7.37 3.52 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 0.72 0.00 0.00 0.26 0.00 0.00 21 L 7.81 4.16 0.00 1.64 1.70 0.98 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 7.40 3.37 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.79 0.00 0.00 0.00 0.00 0.00 2.47 2.32 0.00 23 I 8.04 4.12 1.85 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.50 0.90 0.00 0.00 24 P 0.00 4.18 0.00 2.16 2.06 0.00 3.78 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 1.97 1.94 0.00 *31 S 8.36 4.22 0.00 4.06 3.99 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 0.00 0.00 0.00 32 K 8.45 3.80 0.00 1.86 1.89 0.00 1.75 0.00 0.00 1.84 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.56 1.58 7.81 33 T 8.00 4.04 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 1.47 0.00 0.00 34 S 7.82 3.89 0.00 3.71 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 35 R 8.36 3.92 0.00 2.00 1.96 0.00 3.17 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 36 V 8.22 3.62 2.38 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 0.97 0.00 0.00 0.98 0.00 0.00 37 L 8.41 4.13 0.00 1.48 1.58 0.47 -0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.43 4.30 0.00 2.34 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.60 2.64 0.00 39 N 8.32 4.38 0.00 2.94 2.91 0.00 0.00 6.82 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 V 7.93 3.75 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 0.73 0.00 0.00 0.99 0.00 0.00 41 A 8.51 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 8.78 4.14 0.00 3.60 3.12 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 43 S 8.18 4.38 0.00 4.22 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 0.00 44 V 8.13 3.59 2.27 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 1.12 0.00 0.00 1.03 0.00 0.00 45 Q 8.68 3.98 0.00 2.27 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.58 0.00 0.00 0.00 0.00 0.00 2.26 2.43 0.00 46 K 8.10 3.93 0.00 2.01 1.90 0.00 1.96 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 3.72 0.00 0.00 0.00 0.00 1.45 1.55 7.81 47 E 8.00 3.97 0.00 2.05 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 2.33 2.34 0.00 48 V 8.03 3.59 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 1.02 0.00 0.00 1.00 0.00 0.00 49 E 8.29 4.06 0.00 2.17 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 0.00 2.35 2.41 0.00 50 K 7.85 4.19 0.00 1.97 2.07 0.00 1.34 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.48 7.81 51 N 8.42 4.58 0.00 2.70 2.93 0.00 0.00 6.87 8.65 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 52 L 7.52 4.70 0.00 1.77 1.63 0.90 0.71 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 53 K 7.86 3.81 0.00 1.88 1.84 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.52 7.81 54 S 7.91 4.09 0.00 3.88 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 55 C 8.06 4.18 0.00 2.98 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 56 L 8.80 4.05 0.00 1.79 1.74 0.99 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 57 D 8.34 4.50 0.00 2.77 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 58 N 7.88 4.75 0.00 2.85 2.83 0.00 0.00 6.81 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 7.48 4.24 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 0.84 0.00 0.00 1.04 0.00 0.00 60 N 8.70 4.67 0.00 2.76 2.75 0.00 0.00 6.90 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 61 V 8.15 4.21 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 1.02 0.00 0.00 0.93 0.00 0.00 62 V 8.34 4.85 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 0.82 0.00 0.00 0.95 0.00 0.00 63 S 7.94 4.74 0.00 4.05 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 64 V 8.40 3.73 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 1.37 0.00 0.00 1.14 0.00 0.00 65 D 8.16 4.37 0.00 2.75 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 66 T 8.01 4.04 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 67 A 8.18 3.99 1.53 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 0.00 0.00 68 R 8.01 2.51 0.00 1.47 1.84 0.00 3.03 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.60 0.00 69 T 7.66 3.81 4.35 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 1.20 0.00 0.00 70 L 7.89 3.99 0.00 1.84 1.83 0.99 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 71 F 8.60 4.42 0.00 3.36 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 72 N 8.47 4.17 0.00 2.88 2.85 0.00 0.00 7.12 8.08 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 73 Q 8.15 3.94 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 74 V 7.83 3.40 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 0.39 0.00 0.00 0.75 0.00 0.00 75 M 7.79 3.71 0.00 0.51 1.16 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.06 0.00 76 E 8.07 3.97 0.00 2.18 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 2.32 2.40 0.00 77 K 7.57 4.25 0.00 1.81 1.76 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.37 7.81 78 E 8.26 3.82 0.00 1.68 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 1.47 1.90 0.00 79 F 7.91 4.58 0.00 3.35 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 80 E 7.88 4.13 0.00 2.19 2.44 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 2.45 2.22 0.00 81 D 7.98 4.48 0.00 2.78 2.77 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 82 G 8.29 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 83 I 7.59 4.25 1.95 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.62 0.85 0.00 0.00 84 I 7.96 4.34 0.66 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.44 -0.33 0.00 0.00 85 N 7.65 4.36 0.00 3.01 2.83 0.00 0.00 6.28 8.88 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 86 W 8.99 4.64 0.00 3.85 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 87 G 8.58 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 88 R 8.76 4.11 0.00 2.03 1.91 0.00 3.04 0.00 0.00 2.57 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.77 0.00 89 I 7.91 3.95 2.32 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.73 1.36 0.00 0.00 90 V 8.24 3.84 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.76 0.00 0.00 91 T 7.88 4.05 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 1.32 0.00 0.00 92 I 7.73 3.92 2.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.30 1.07 0.00 0.00 93 F 8.20 4.04 0.00 2.98 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 94 A 8.05 4.13 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 95 F 8.96 4.50 0.00 3.17 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 E 8.64 3.89 0.00 2.04 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 2.50 2.62 0.00 97 G 8.39 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 98 I 7.65 3.71 2.02 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.12 0.95 0.00 0.00 99 L 7.59 3.84 0.00 1.59 1.55 0.87 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 100 I 7.68 3.38 1.59 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.79 0.81 0.00 0.00 101 K 7.66 3.90 0.00 1.84 1.78 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.45 7.81 102 K 7.85 4.02 0.00 1.78 1.83 0.00 1.69 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.64 7.81 103 L 8.06 4.30 0.00 1.77 1.58 1.01 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 104 L 7.40 4.47 0.00 1.97 1.97 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 105 R 7.87 4.06 0.00 2.03 2.14 0.00 3.25 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 106 Q 7.68 4.53 0.00 2.33 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.73 0.00 0.00 0.00 0.00 0.00 2.23 2.60 0.00 107 Q 8.43 4.28 0.00 2.34 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.55 2.37 0.00 108 I 8.51 3.85 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.97 0.92 0.00 0.00 109 A 7.69 4.59 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 P 0.00 4.55 0.00 2.19 2.09 0.00 3.72 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 111 D 8.42 4.35 0.00 2.45 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 0.00 0.00 0.00 0.00 112 V 8.03 2.54 1.94 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 0.94 0.00 0.00 0.90 0.00 0.00 113 D 8.06 4.24 0.00 2.70 2.56 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 0.00 0.00 0.00 0.00 114 T 8.35 4.14 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 1.30 0.00 0.00 115 Y 7.79 4.74 0.00 3.05 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 0.00 116 K 8.29 3.98 0.00 2.04 2.03 0.00 1.81 0.00 0.00 1.86 0.00 0.00 3.08 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.55 1.76 7.81 117 E 8.10 4.10 0.00 2.30 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 2.35 2.46 0.00 118 I 7.58 2.38 1.61 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.76 0.40 0.00 0.00 119 S 7.57 3.91 0.00 3.94 3.56 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 0.00 0.00 0.00 0.00 120 Y 8.39 4.16 0.00 3.37 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 0.00 121 F 8.05 4.68 0.00 3.39 3.46 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 0.00 122 V 7.33 3.35 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 0.72 0.00 0.00 0.14 0.00 0.00 123 A 8.16 3.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 E 8.54 4.13 0.00 2.43 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 0.00 2.28 2.40 0.00 125 F 8.45 4.09 0.00 3.61 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 I 8.10 3.65 2.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.89 1.22 0.00 0.00 127 M 8.38 4.09 0.00 2.34 2.32 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.84 0.00 128 N 7.96 4.40 0.00 2.72 2.79 0.00 0.00 7.04 8.15 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 0.00 129 N 7.81 4.48 0.00 1.44 2.17 0.00 0.00 6.84 8.32 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 0.00 130 T 7.60 4.46 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 0.71 0.00 0.00 131 G 7.72 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 0.00 0.00 0.00 132 E 8.11 4.02 0.00 2.09 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 0.00 2.37 2.41 0.00 133 W 8.12 3.92 0.00 3.35 3.20 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 0.00 134 I 8.15 3.28 2.05 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 0.97 0.55 0.87 0.00 0.00 135 R 7.53 3.88 0.00 1.93 1.95 0.00 3.30 0.00 0.00 3.35 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 136 Q 7.48 4.17 0.00 1.77 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.41 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 137 N 7.56 4.58 0.00 1.44 1.89 0.00 0.00 7.06 9.26 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 0.00 138 G 8.24 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 0.00 139 G 8.37 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 0.00 140 W 8.67 4.12 0.00 3.47 3.48 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 0.00 141 E 8.42 4.20 0.00 2.03 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 2.44 2.35 0.00 142 N 7.93 4.83 0.00 2.87 2.84 0.00 0.00 6.96 7.53 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 0.00 143 G 7.97 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 144 F 6.97 3.00 0.00 1.51 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 0.00 145 V 7.96 3.42 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 1.02 0.00 0.00 1.16 0.00 0.00 146 K 7.86 4.05 0.00 1.76 1.80 0.00 1.79 0.00 0.00 1.60 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.55 7.81 147 K 7.18 3.82 0.00 1.63 1.57 0.00 1.85 0.00 0.00 1.65 0.00 0.00 3.26 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.43 1.14 7.81 148 F 7.35 4.39 0.00 2.21 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 E 7.96 4.11 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.20 0.00 * Residues marked with a * may have inaccurate shift predictions.