NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.0167 8.5298 119.6776 55.6646 33.2251 174.4627 2 N 4.4082 7.0885 120.0055 50.0511 41.2685 173.6328 3 I 3.5833 9.0877 120.2721 64.0468 38.1854 178.8899 4 F 3.9964 8.2111 118.3221 60.6468 38.8729 177.3734 5 E 3.9948 8.6875 118.2639 59.3063 29.1801 179.1456 6 M 3.7209 8.0221 118.6732 58.6354 32.3147 178.3959 7 L 3.9874 7.9659 119.0346 57.3993 41.7253 179.2901 8 R 3.6661 8.3913 119.3150 59.3988 29.7157 178.7208 9 I 3.7374 7.5996 118.5985 64.5907 37.2527 177.9464 10 D 4.5716 8.1938 118.5070 56.6468 40.7525 177.7337 11 E 4.5220 8.6400 117.6243 55.4838 30.7311 177.0769 12 G 3.8004 8.3572 108.2039 44.4344 0.0000 171.7500 13 L 4.8972 7.9856 119.1105 53.3655 44.6595 175.6283 14 R 4.6760 8.8924 124.2584 54.6777 34.3485 175.6161 15 L 4.7135 8.7683 121.3328 54.6541 43.0979 175.8667 16 K 5.1838 7.8203 117.7276 53.9647 35.5092 176.0284 17 I 4.1810 8.0734 123.3411 62.5093 37.7366 174.9816 18 Y 5.0972 9.0259 123.8065 55.5405 42.2936 173.6504 19 K 4.9650 8.7430 118.8730 54.9385 33.8843 177.2873 20 D 4.9092 8.7332 125.0452 52.6127 41.2124 176.8673 21 T 3.8366 8.5248 108.1026 64.5316 68.6995 174.6008 22 E 4.1020 8.3523 119.5035 55.9686 29.7652 176.5497 23 G 3.6688 8.2472 107.5184 45.3228 0.0000 172.7110 24 Y 4.8458 8.0112 117.6556 55.8668 40.4244 174.9699 25 Y 4.7406 8.3448 121.0741 59.0158 39.0499 175.4683 26 T 5.0688 9.0692 119.8901 62.2996 73.8952 172.3233 27 I 4.8637 8.7090 122.2461 60.0661 42.3524 176.1382 28 G 4.0046 9.3625 114.0037 47.1650 0.0000 176.6516 29 I 5.0229 7.7863 118.1575 59.2817 35.4970 175.0000 30 G 4.0577 8.2825 108.8672 46.6656 0.0000 171.4838 31 H 4.3782 8.3501 121.0605 54.4488 29.1322 174.1353 32 L 4.2179 8.0863 129.7275 55.1383 42.5446 176.4995 33 L 4.2506 8.7003 126.8691 56.9111 42.3004 176.7128 34 T 4.1449 7.2172 108.1946 61.7906 69.6545 172.5323 35 K 3.7188 8.2885 123.2249 55.9329 32.5498 177.1786 36 S 4.3330 7.8471 114.8816 57.4866 62.7421 172.1154 37 P 4.5281 0.0000 0.0000 63.4014 31.6650 176.2976 38 S 4.5664 8.4872 115.9621 57.3659 63.1413 174.0464 39 L 3.1154 8.6215 131.3619 58.1878 41.7500 178.5929 40 N 4.2559 8.0493 115.8063 56.0267 38.5694 177.0257 41 A 3.9737 8.3358 122.3667 55.0680 18.3696 179.5759 42 A 3.9506 7.8637 119.3238 55.2154 18.3850 180.0392 43 K 3.8526 8.1937 117.2998 59.4921 32.0473 179.5674 44 S 4.0640 8.1859 113.5145 61.3863 62.2707 175.9903 45 E 3.9585 8.2426 121.3119 59.2944 29.1978 179.1566 46 L 3.9456 8.1889 120.5268 58.3588 42.1628 178.7660 47 D 4.6624 8.2089 120.2222 56.6758 40.4670 178.7674 48 K 3.9494 7.8921 119.2599 59.4365 32.2912 178.5182 49 A 4.1252 8.0253 120.2939 54.7905 18.3638 178.9589 50 I 4.1282 7.8844 116.9863 61.3407 37.7115 177.2294 51 G 3.9325 9.9995 107.4770 45.0198 0.0000 172.5125 52 R 4.4280 7.3999 114.6936 54.7686 32.1461 173.3120 53 N 4.9137 8.5384 117.2976 52.9247 38.6880 174.3397 54 T 4.2229 9.2903 117.1418 61.1531 69.8018 174.7457 55 N 4.2376 9.3500 119.2295 54.4572 37.6861 174.4730 56 G 3.9553 8.6116 102.7914 44.5964 0.0000 173.4988 57 V 5.0184 7.5702 118.6129 60.8914 34.2023 174.5168 58 I 4.9641 8.6346 120.3349 59.3566 41.1932 174.4693 59 T 4.4074 8.7162 112.6433 60.3011 70.6689 176.0740 60 K 3.9174 8.6601 122.4095 59.7325 32.0946 178.4486 61 D 4.3648 8.0751 118.6818 57.4234 40.8381 178.3855 62 E 3.9555 8.1696 118.5922 59.3651 29.5010 179.1961 63 A 4.0732 8.2928 120.9457 55.4795 18.3884 179.6423 64 E 4.1977 8.5610 117.1103 59.1604 29.4579 179.5803 65 K 3.9948 8.2714 120.0868 59.5997 32.2992 178.9310 66 L 4.0665 8.1025 119.2928 57.6463 41.3920 179.3355 67 F 4.6152 8.4679 120.7581 61.4886 39.4189 176.6802 68 N 4.4745 8.7665 117.0879 56.8782 38.6664 176.8258 69 Q 4.0551 8.2525 119.4705 59.1517 28.8225 178.5667 70 D 4.3770 8.6297 120.4052 57.1170 40.8637 179.0146 71 V 3.5368 8.1479 119.2291 65.9347 31.4968 177.3920 72 D 4.3021 8.1163 117.5038 57.5343 41.0812 178.1639 73 A 4.0198 8.3969 121.2278 54.9502 18.2226 179.4296 74 A 3.8779 8.1066 119.2492 55.2811 18.5440 179.9927 75 V 3.3028 7.7295 116.5631 66.3401 31.5383 178.5526 76 R 4.0238 8.4767 118.0737 58.8013 29.5340 179.4432 77 G 3.5072 7.7521 105.1925 47.7130 0.0000 175.3532 78 I 3.7691 7.7471 122.9142 64.2392 36.9599 178.5639 79 L 4.0538 7.6165 117.3590 56.7531 41.5059 178.6328 80 R 4.4596 7.3401 116.0745 54.8838 30.7145 175.2445 81 N 4.7522 7.5790 119.2729 51.5756 39.9162 175.4283 82 A 4.1706 8.6508 127.9306 54.6232 18.5363 178.5355 83 K 4.2070 8.5879 116.3979 58.1034 32.7728 178.4213 84 L 4.3604 7.8238 118.5026 56.5232 42.1562 178.5481 85 K 3.9353 8.3968 120.1162 59.2594 31.9112 177.0822 86 P 4.3264 0.0000 0.0000 65.4214 31.6117 178.5235 87 V 4.0543 7.7191 118.0180 65.5649 31.6089 176.9951 88 Y 4.1018 8.2312 119.4003 61.2230 38.4161 178.2263 89 D 4.4825 8.5534 118.4213 56.9599 40.9526 178.3733 90 S 4.3491 7.8136 113.4294 59.2040 63.5887 174.4292 91 L 4.5335 6.9281 122.5215 53.4976 42.7725 176.6040 92 D 4.5561 8.2584 120.6740 52.9586 41.6143 177.2298 93 A 3.8822 8.3443 121.4079 55.0647 18.3545 180.2523 94 V 3.0858 7.5132 116.4657 66.1206 31.7536 178.4329 95 R 3.6219 8.0229 117.5988 58.7194 29.7394 179.0439 96 R 3.8079 8.1280 118.4420 59.2831 29.9288 178.7979 97 A 3.9780 7.6620 119.6785 55.0461 18.4129 179.3521 98 A 3.6393 7.4659 119.0433 55.2167 18.1783 179.6975 99 L 4.1973 7.7462 118.5769 58.2982 42.1636 179.1172 100 I 3.7286 8.1090 120.0691 64.3393 37.0307 177.7970 101 N 4.2980 8.4679 118.1278 57.0659 38.8084 176.7401 102 M 3.8788 7.9525 119.9236 58.4544 31.9092 179.0079 103 V 3.6550 7.8266 118.3708 65.7268 31.4277 177.8327 104 F 3.9887 8.4324 120.2705 61.2125 39.2984 176.7019 105 Q 4.3501 8.1685 118.3530 58.7060 29.1476 176.9165 106 M 4.6520 8.3710 114.0728 53.6330 32.5832 176.3154 107 G 4.0970 7.9295 106.5692 46.1365 0.0000 174.2887 108 E 3.8821 8.7301 120.7488 59.5057 29.3801 179.5555 109 T 3.9409 7.8887 115.1040 66.6969 68.4433 176.5263 110 G 3.7845 8.0806 105.6199 48.1001 0.0000 175.2703 111 V 3.7143 8.0429 120.3112 65.4801 31.3150 177.7951 112 A 4.2677 8.3106 120.3758 55.2403 18.2484 179.4720 113 G 3.8169 7.8596 102.5424 45.7104 0.0000 173.5412 114 F 4.2491 8.3938 122.0038 56.7842 39.7405 176.0397 *116 N 4.7518 8.7060 123.0066 53.4614 40.5985 177.0939 117 S 4.1971 8.0333 113.7616 61.4227 62.9317 176.4579 118 L 3.9052 8.5222 122.0024 57.7168 41.3512 179.3806 119 A 4.0083 7.9470 120.1779 55.4673 18.3848 179.4511 120 M 3.9383 7.8752 116.7252 58.3799 31.9401 178.9719 121 L 3.9407 8.0940 119.3888 57.8759 41.6941 179.2579 122 Q 3.9408 8.4859 119.8180 59.1278 28.7312 177.7049 123 Q 4.1205 7.6679 116.2003 55.1355 29.0860 175.8684 124 K 2.0000 7.1519 118.3846 56.9866 30.3408 177.5148 125 R 4.0801 6.9748 118.9680 54.7011 27.5571 176.4158 126 W 4.5307 7.5261 122.7001 59.7229 29.6004 177.5762 127 D 4.4765 8.1794 118.4996 57.4072 40.4208 178.4556 128 E 3.9626 8.1990 118.4507 59.2254 29.4238 179.0344 129 A 3.9808 8.4700 121.0175 55.1409 18.2533 179.4746 130 A 4.0479 7.9815 118.0108 55.4366 18.2509 179.6593 131 V 3.6429 8.0180 116.7900 66.2051 31.5834 177.8157 132 N 4.4119 8.3108 116.8360 56.5251 38.5776 176.9046 133 L 4.4198 8.2815 119.9252 57.7064 41.8354 178.7749 134 A 4.0072 7.5723 117.8809 52.8363 19.7340 178.3501 135 K 4.3149 7.5766 119.3004 54.1647 30.8951 176.6261 136 S 4.7059 7.5757 115.0524 55.7286 67.4136 175.1190 137 R 3.9485 8.8131 123.7596 59.5832 29.7550 178.2712 138 W 4.5640 8.6812 127.5510 61.0867 30.4816 177.0782 139 Y 3.5127 8.3496 119.0148 60.7339 38.0215 177.7856 140 N 4.3502 8.1638 116.2152 56.1910 38.6970 176.8996 141 Q 4.3068 8.2834 118.8418 56.8520 30.6699 176.3504 142 T 4.5853 7.7241 109.3206 58.7036 68.5481 172.7002 143 P 3.6571 0.0000 0.0000 65.8045 31.7715 178.5099 144 N 4.1763 7.7753 115.8145 55.9534 38.5851 177.2588 145 R 3.8541 7.7609 119.4508 59.3357 30.3351 178.2334 146 A 3.5140 7.8887 120.8752 54.8079 18.0343 179.6886 147 K 4.0406 8.1492 117.3768 59.6909 32.1003 179.8024 148 R 3.8158 7.6731 117.9308 59.2158 29.9166 179.3302 149 V 3.7794 8.0908 118.0949 66.1273 31.6189 178.1985 150 I 4.1289 8.6327 120.0479 64.7610 36.8671 178.4751 151 T 4.0088 8.3837 117.0081 66.9190 68.1402 176.8051 152 T 3.8586 7.8503 117.5931 66.6921 68.2460 176.8604 153 F 4.1397 7.9577 118.6065 60.4327 38.9668 177.4777 154 R 4.1805 8.5607 118.3729 59.0378 30.0078 177.7932 155 T 4.2654 7.9951 107.9403 60.7501 69.7212 175.4856 156 G 3.4847 7.8270 108.8758 46.0631 0.0000 172.8516 157 T 4.4340 7.2663 108.1393 59.3159 71.5739 173.3108 158 W 5.0029 8.3523 118.6392 56.8953 29.1129 178.4281 159 D 4.3768 8.2119 122.3160 57.4972 40.2963 178.5827 160 A 4.0564 8.1143 119.7045 53.7584 18.6560 177.1216 161 Y 4.4957 8.1882 112.0866 57.4970 39.7940 176.3742 162 K 4.2934 7.5105 119.2132 56.9454 33.8063 175.6603 163 N 4.1901 8.7122 113.5254 53.8264 35.7074 174.4042 164 L 4.0278 7.7927 123.9373 55.8580 42.0245 173.6368 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 8.53 4.02 0.00 0.51 1.45 0.00 0.00 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.14 0.00 2 N 7.09 4.41 0.00 3.10 2.81 0.00 0.00 5.69 6.69 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 3 I 9.09 3.58 1.84 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 1.44 0.82 0.68 0.00 0.00 4 F 8.21 4.00 0.00 3.31 3.19 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 0.00 5 E 8.69 3.99 0.00 1.79 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 2.30 2.43 0.00 6 M 8.02 3.72 0.00 1.97 1.55 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 2.13 0.00 7 L 7.97 3.99 0.00 1.88 1.46 0.39 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.39 3.67 0.00 1.92 2.15 0.00 2.97 0.00 0.00 3.00 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 9 I 7.60 3.74 2.19 0.00 0.00 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 1.56 0.75 1.04 0.00 0.00 10 D 8.19 4.57 0.00 2.74 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 11 E 8.64 4.52 0.00 1.88 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 2.44 0.00 12 G 8.36 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 13 L 7.99 4.90 0.00 1.45 1.44 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.89 4.68 0.00 1.62 1.64 0.00 2.58 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.25 0.00 15 L 8.77 4.71 0.00 1.61 1.90 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.82 5.18 0.00 1.66 1.73 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.46 7.81 17 I 8.07 4.18 1.87 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.62 0.90 0.00 0.00 18 Y 9.03 5.10 0.00 3.05 3.02 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 19 K 8.74 4.97 0.00 1.67 1.68 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.32 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.94 1.40 7.81 20 D 8.73 4.91 0.00 2.94 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 21 T 8.52 3.84 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 1.27 0.00 0.00 22 E 8.35 4.10 0.00 1.75 1.58 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 2.26 2.30 0.00 23 G 8.25 3.67 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 0.00 0.00 0.00 24 Y 8.01 4.85 0.00 3.17 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 25 Y 8.34 4.74 0.00 2.98 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 26 T 9.07 5.07 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 1.08 0.00 0.00 27 I 8.71 4.86 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.57 0.99 0.00 0.00 28 G 9.36 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 29 I 7.79 5.02 1.27 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.55 -0.08 0.00 0.00 30 G 8.28 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 31 H 8.35 4.38 0.00 3.37 3.49 0.00 5.79 0.00 0.00 0.00 0.00 6.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.09 4.22 0.00 1.55 1.42 1.01 0.93 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 33 L 8.70 4.25 0.00 1.85 1.71 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.22 4.14 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 1.31 0.00 0.00 35 K 8.29 3.72 0.00 1.43 1.11 0.00 1.48 0.00 0.00 1.00 0.00 0.00 2.61 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.30 0.90 7.81 36 S 7.85 4.33 0.00 3.85 3.79 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 37 P 0.00 4.53 0.00 2.28 2.18 0.00 3.86 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 2.03 1.99 0.00 38 S 8.49 4.57 0.00 3.93 3.83 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 39 L 8.62 3.12 0.00 1.58 1.54 0.33 0.60 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 40 N 8.05 4.26 0.00 2.75 2.82 0.00 0.00 7.05 7.11 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 41 A 8.34 3.97 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 42 A 7.86 3.95 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 43 K 8.19 3.85 0.00 1.89 1.83 0.00 1.60 0.00 0.00 1.53 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.50 7.81 44 S 8.19 4.06 0.00 3.95 3.97 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 45 E 8.24 3.96 0.00 2.18 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 2.49 2.60 0.00 46 L 8.19 3.95 0.00 1.83 1.84 0.94 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.21 4.66 0.00 2.72 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 48 K 7.89 3.95 0.00 1.83 2.10 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.45 7.81 49 A 8.03 4.13 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 50 I 7.88 4.13 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 1.62 0.90 0.92 0.00 0.00 51 G 10.00 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 52 R 7.40 4.43 0.00 1.95 2.01 0.00 2.96 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 53 N 8.54 4.91 0.00 2.68 2.79 0.00 0.00 6.90 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 9.29 4.22 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 1.31 0.00 0.00 55 N 9.35 4.24 0.00 2.81 2.86 0.00 0.00 7.18 7.98 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 56 G 8.61 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 0.00 0.00 0.00 57 V 7.57 5.02 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 0.85 0.00 0.00 0.94 0.00 0.00 58 I 8.63 4.96 2.00 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 1.45 0.88 0.93 0.00 0.00 59 T 8.72 4.41 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 60 K 8.66 3.92 0.00 1.85 1.85 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.54 7.81 61 D 8.08 4.36 0.00 2.77 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 62 E 8.17 3.96 0.00 2.32 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 2.35 0.00 63 A 8.29 4.07 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 64 E 8.56 4.20 0.00 2.21 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 2.44 2.49 0.00 65 K 8.27 3.99 0.00 1.96 2.00 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.51 7.81 66 L 8.10 4.07 0.00 1.81 1.66 0.80 0.68 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 67 F 8.47 4.62 0.00 3.24 3.39 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 0.00 68 N 8.77 4.47 0.00 2.96 2.87 0.00 0.00 7.27 7.06 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 69 Q 8.25 4.06 0.00 2.36 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.59 0.00 0.00 0.00 0.00 0.00 2.41 2.61 0.00 70 D 8.63 4.38 0.00 3.11 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 71 V 8.15 3.54 1.65 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 0.37 0.00 0.00 -0.03 0.00 0.00 72 D 8.12 4.30 0.00 2.95 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 A 8.40 4.02 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 74 A 8.11 3.88 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 75 V 7.73 3.30 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 0.90 0.00 0.00 0.97 0.00 0.00 76 R 8.48 4.02 0.00 1.98 1.93 0.00 3.24 0.00 0.00 3.28 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 77 G 7.75 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 I 7.75 3.77 1.64 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 1.44 0.90 0.40 0.00 0.00 79 L 7.62 4.05 0.00 1.67 1.68 0.87 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 80 R 7.34 4.46 0.00 1.82 1.93 0.00 3.11 0.00 0.00 3.13 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.77 0.00 81 N 7.58 4.75 0.00 2.82 2.78 0.00 0.00 7.02 7.75 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 82 A 8.65 4.17 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 83 K 8.59 4.21 0.00 1.84 1.88 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.47 7.81 84 L 7.82 4.36 0.00 1.80 1.70 0.90 0.92 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 85 K 8.40 3.94 0.00 2.00 1.83 0.00 1.87 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.61 1.53 7.81 86 P 0.00 4.33 0.00 2.08 2.12 0.00 3.85 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.16 0.00 87 V 7.72 4.05 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 1.39 0.00 0.00 1.04 0.00 0.00 88 Y 8.23 4.10 0.00 3.14 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 89 D 8.55 4.48 0.00 2.79 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 90 S 7.81 4.35 0.00 4.08 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 91 L 6.93 4.53 0.00 1.68 1.59 1.11 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.26 4.56 0.00 2.84 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 93 A 8.34 3.88 1.33 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 94 V 7.51 3.09 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 -0.21 0.00 0.00 0.58 0.00 0.00 95 R 8.02 3.62 0.00 1.77 2.02 0.00 2.64 0.00 0.00 2.62 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.45 0.00 96 R 8.13 3.81 0.00 1.83 1.77 0.00 2.84 0.00 0.00 2.41 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 1.49 0.00 97 A 7.66 3.98 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.47 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 7.75 4.20 0.00 2.18 2.06 1.01 1.31 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 0.00 100 I 8.11 3.73 2.01 0.00 0.00 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 1.47 0.90 0.89 0.00 0.00 101 N 8.47 4.30 0.00 2.84 3.02 0.00 0.00 7.24 7.80 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 0.00 102 M 7.95 3.88 0.00 1.65 2.08 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 1.91 0.00 103 V 7.83 3.66 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.90 0.00 0.00 104 F 8.43 3.99 0.00 3.16 3.23 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 0.00 105 Q 8.17 4.35 0.00 2.33 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.53 0.00 0.00 0.00 0.00 0.00 2.54 2.57 0.00 106 M 8.37 4.65 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 107 G 7.93 4.10 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 0.00 0.00 0.00 108 E 8.73 3.88 0.00 2.01 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 2.36 2.38 0.00 109 T 7.89 3.94 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 1.22 0.00 0.00 110 G 8.08 3.78 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 M 7.88 3.94 0.00 2.01 2.22 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.54 0.00 121 L 8.09 3.94 0.00 1.81 1.80 0.27 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 122 Q 8.49 3.94 0.00 2.17 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.86 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 123 Q 7.67 4.12 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.61 0.00 0.00 0.00 0.00 0.00 2.30 2.48 0.00 124 K 7.15 2.00 0.00 1.47 1.11 0.00 1.69 0.00 0.00 1.96 0.00 0.00 3.03 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.93 1.14 7.81 125 R 6.97 4.08 0.00 1.71 1.95 0.00 3.02 0.00 0.00 3.21 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.60 0.00 126 W 7.53 4.53 0.00 3.36 3.25 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 0.00 127 D 8.18 4.48 0.00 2.82 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 0.00 128 E 8.20 3.96 0.00 2.11 1.98 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 2.39 2.37 0.00 129 A 8.47 3.98 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 0.00 130 A 7.98 4.05 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.02 3.64 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 0.97 0.00 0.00 1.01 0.00 0.00 132 N 8.31 4.41 0.00 2.83 2.95 0.00 0.00 7.22 6.73 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 0.00 133 L 8.28 4.42 0.00 2.02 2.23 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 134 A 7.57 4.01 0.62 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 0.00 0.00 135 K 7.58 4.31 0.00 1.89 1.77 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.51 7.81 136 S 7.58 4.71 0.00 4.33 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 R 8.81 3.95 0.00 1.98 2.12 0.00 3.27 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.79 0.00 138 W 8.68 4.56 0.00 3.67 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 Y 8.35 3.51 0.00 3.04 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 0.00 140 N 8.16 4.35 0.00 2.94 2.90 0.00 0.00 7.09 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 0.00 141 Q 8.28 4.31 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.25 0.00 0.00 0.00 0.00 0.00 2.64 2.56 0.00 142 T 7.72 4.59 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 1.26 0.00 0.00 143 P 0.00 3.66 0.00 1.86 1.74 0.00 3.69 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.69 0.00 144 N 7.78 4.18 0.00 2.69 2.81 0.00 0.00 6.79 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 0.00 145 R 7.76 3.85 0.00 1.90 1.92 0.00 3.34 0.00 0.00 3.73 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.00 0.00 146 A 7.89 3.51 0.09 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 0.00 0.00 147 K 8.15 4.04 0.00 1.93 1.87 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.60 1.60 7.81 148 R 7.67 3.82 0.00 1.91 1.48 0.00 2.21 0.00 0.00 2.74 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.65 0.00 149 V 8.09 3.78 2.60 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 1.21 0.00 0.00 1.30 0.00 0.00 150 I 8.63 4.13 2.06 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.85 1.06 0.00 0.00 151 T 8.38 4.01 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 1.22 0.00 0.00 152 T 7.85 3.86 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 153 F 7.96 4.14 0.00 3.26 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 0.00 154 R 8.56 4.18 0.00 1.94 2.13 0.00 3.30 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.83 0.00 155 T 8.00 4.27 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 1.23 0.00 0.00 156 G 7.83 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 0.00 0.00 0.00 157 T 7.27 4.43 4.22 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 1.18 0.00 0.00 158 W 8.35 5.00 0.00 3.45 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 0.00 159 D 8.21 4.38 0.00 2.80 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 0.00 160 A 8.11 4.06 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 0.00 161 Y 8.19 4.50 0.00 3.12 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 0.00 162 K 7.51 4.29 0.00 2.00 1.89 0.00 1.83 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.63 1.45 7.81 163 N 8.71 4.19 0.00 2.90 2.95 0.00 0.00 6.70 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 0.00 164 L 7.79 4.03 0.00 1.77 1.55 0.87 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.