NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.6200 8.4249 118.1111 52.0181 40.7149 174.3996 2 E 4.1983 7.5107 115.9727 54.7172 33.6146 169.3427 3 V 3.9100 8.6432 127.1144 61.6411 32.9172 174.9543 4 T 4.7516 8.4756 125.2027 63.8658 68.8820 174.6127 5 L 4.8004 9.0495 123.3817 53.8451 43.8112 176.5295 6 L 4.4103 7.3980 118.7469 54.6550 44.9571 172.2026 7 D 5.1004 8.1183 125.1421 52.5936 43.0887 175.5703 8 S 4.3012 9.3253 123.3853 61.3695 63.0605 176.2843 9 R 4.1117 8.6723 120.3003 58.1204 29.9038 177.2712 10 S 4.7978 7.8918 111.7620 57.9926 63.2111 174.9951 11 V 3.9881 7.9626 119.2438 61.7238 31.9842 176.1416 12 Q 3.1898 8.5796 120.7682 55.9165 28.3289 173.9509 13 G 3.7356 8.2123 104.8239 46.5544 0.0000 172.4259 14 E 4.3476 8.4399 120.2060 54.9980 31.0971 177.1061 15 L 3.9051 8.7676 126.5362 56.9570 42.2070 177.9003 16 G 4.2496 8.5760 104.4214 45.8649 0.0000 173.3035 17 W 4.8203 8.1463 118.4480 56.3102 29.7039 176.3030 18 I 4.2584 8.4288 115.4577 61.0574 38.1297 174.5872 19 A 5.0674 8.6477 125.0253 50.3694 23.3633 174.7088 20 S 4.9980 9.2344 115.3241 55.7277 65.3450 172.1983 21 P 4.8118 0.0000 0.0000 61.8930 32.0741 177.0988 22 L 4.2326 8.7616 119.5057 57.9766 40.1848 176.8689 23 E 4.7070 7.9221 113.6242 55.7221 32.3520 174.8812 24 G 4.2182 9.2709 108.0766 44.9258 0.0000 174.3350 25 G 3.9517 7.8282 101.6169 46.0065 0.0000 176.5525 26 W 4.8352 9.5540 120.6669 56.7450 30.1427 175.1270 27 E 4.8875 9.9474 123.5938 54.5751 33.4005 174.6716 28 E 3.9784 8.8989 125.0159 55.2433 29.8328 175.1921 29 V 4.4491 8.3693 127.0595 61.1752 35.0743 174.7400 30 S 5.2038 8.3525 120.4272 57.6926 65.1140 172.9486 31 I 4.3968 8.0792 112.9679 60.5688 41.3288 173.6430 32 M 4.3980 8.4453 122.7442 54.2166 32.4509 175.2684 33 D 4.3369 8.7291 124.5973 52.1934 43.0660 177.5356 34 E 3.9712 8.7582 124.7203 58.8006 29.7083 177.4795 35 K 4.4709 8.1344 117.0185 56.4102 32.7945 177.4173 36 N 4.6921 8.4149 123.3997 54.7805 37.9372 175.5444 37 T 3.6645 7.5086 112.9740 61.8913 68.7266 170.7966 38 P 4.8953 0.0000 0.0000 62.9457 31.9462 175.6409 39 I 4.5774 8.4722 117.9759 58.9052 41.2594 174.3265 40 R 4.8093 8.3265 121.8017 54.8523 31.5769 175.8138 41 T 4.6514 9.1196 113.5349 59.9966 72.9470 172.0674 42 Y 5.2935 8.1715 118.1286 56.5710 41.7105 175.0456 43 Q 5.2690 9.1855 119.2695 56.0669 32.8309 173.0957 44 V 4.4028 8.1201 116.5734 60.9207 34.8986 173.2599 45 C 4.8240 8.1817 122.5664 55.6388 42.5112 174.5745 46 N 4.5963 7.9425 114.0649 52.4752 36.8499 176.6866 47 V 3.6481 7.3468 119.4346 65.9059 32.4135 176.3937 48 M 4.2144 7.9192 116.7726 56.4709 32.5260 175.2831 49 E 4.5870 7.3306 116.5213 54.8554 31.2564 174.1463 50 P 4.4857 0.0000 0.0000 62.5503 33.0161 176.0122 51 S 3.7046 8.4231 113.8778 59.8516 60.3422 173.0150 52 Q 4.2609 7.4768 119.0674 55.9019 30.4294 177.1658 53 N 5.4176 8.2105 118.5636 52.6439 39.8733 173.8994 54 N 5.1726 8.3946 118.0800 52.6364 40.6306 176.2836 55 W 5.1131 9.7772 123.9196 55.1136 32.7520 175.3910 56 L 4.8202 8.9021 125.6512 54.0626 43.9456 174.2046 57 R 4.8540 8.1530 123.7874 54.1422 30.9907 178.6254 58 T 2.4800 8.2993 112.6226 61.0396 69.9461 171.5553 59 D 5.2355 7.8434 120.5427 51.6582 44.8826 175.4905 60 W 3.2142 8.8765 129.4310 57.9304 31.2919 175.1215 61 I 3.8332 7.1441 127.9092 59.0660 39.1044 175.0397 62 T 3.3225 7.5773 122.4613 61.4456 68.0256 174.1897 63 R 4.3623 8.8734 123.4113 55.3672 29.9389 176.1747 64 E 3.8342 9.3910 118.4485 57.3508 28.6419 174.3192 65 G 3.6841 8.2184 100.4541 46.6308 0.0000 173.9247 66 A 4.5462 7.6537 120.4301 50.0247 21.5583 176.4972 67 Q 4.2483 8.0787 117.7315 57.7416 29.6629 175.5679 68 R 4.4870 7.6963 117.9843 55.4291 31.8883 175.6232 69 V 4.5092 7.7616 122.3080 61.3516 34.9355 173.9260 70 Y 4.6112 8.7832 125.3967 56.8905 40.1296 174.5606 71 I 4.7810 8.7622 123.5646 59.6114 40.5841 174.1311 72 E 5.1092 10.1895 130.4941 54.8949 31.2976 174.4129 73 I 5.1110 8.8965 128.6101 59.7889 40.2556 175.4931 74 K 5.5989 9.8553 125.3284 53.6239 34.6013 175.2648 75 F 5.2453 8.5180 119.7858 55.7406 41.1399 174.7590 76 T 4.2375 8.8508 112.2714 64.2865 70.1992 171.8591 77 L 4.3754 8.1702 135.0000 54.3934 40.5635 173.2133 78 R 2.6247 8.1382 125.9520 54.5429 30.7155 175.1898 79 D 4.1540 9.1008 125.5475 54.7702 40.6026 173.3580 80 C 3.5090 8.2217 119.9012 60.0493 42.3693 175.3748 81 N 4.7637 7.8624 122.1500 52.2348 36.2149 175.9377 82 S 4.6339 8.8874 111.1271 58.8457 64.0098 173.6678 83 L 4.7752 7.3297 119.9774 52.3469 43.9227 173.6129 84 P 3.9586 0.0000 0.0000 63.4097 31.8772 178.3304 *88 G 3.8047 7.6808 106.3180 45.3236 0.0000 173.9351 89 T 3.8918 8.0884 109.1915 61.4162 69.6524 174.9733 90 C 4.8069 8.4759 123.0904 54.4244 43.5352 173.5295 91 K 4.1617 8.7964 125.8826 56.8770 31.7189 176.4692 92 E 4.8199 8.5672 129.5797 55.4678 30.2948 175.3512 93 T 5.3048 7.4362 107.9447 61.8620 72.0527 171.8131 94 F 4.8033 8.4813 114.5580 56.7190 41.2866 172.4550 95 N 5.1316 8.5387 116.9005 51.4413 41.2366 173.7767 96 L 4.9766 7.9635 124.4184 53.7810 44.5265 174.9509 97 Y 5.4457 9.0573 124.3024 56.9968 42.1400 173.6219 98 Y 6.0567 9.1194 116.4946 58.0248 42.1039 173.3918 99 Y 4.8735 8.7160 120.5051 56.6032 42.0106 173.4838 100 E 4.7053 8.5446 126.6823 56.5617 30.8252 176.1016 101 S 4.5348 8.9097 114.9580 58.0801 66.2215 175.4832 102 D 4.7927 9.0745 124.4820 54.3830 41.4275 175.7425 103 N 4.5827 8.0606 119.4233 52.1320 39.2673 173.6583 104 D 4.2821 7.9433 125.3534 53.0432 39.6558 176.6156 105 K 4.6997 7.7081 116.8112 56.4981 33.6579 176.0874 106 E 3.9723 8.5462 120.5339 56.6476 29.7412 176.5858 107 R 4.3554 8.3837 120.3087 55.8185 29.6184 175.7156 108 F 4.6348 6.8266 115.2373 55.6850 43.2009 177.9602 109 I 2.8256 7.3787 123.9265 60.8777 36.4699 173.3389 *111 E 3.7709 8.3610 117.6047 56.7989 30.7765 178.3662 112 N 3.8597 7.9571 114.0578 56.0019 38.8244 176.5744 113 Q 3.9585 7.8672 116.4457 58.3264 29.0262 176.7672 114 F 4.5490 8.7021 116.6862 56.8894 40.1036 174.7312 115 V 4.5473 8.4821 123.1488 60.8365 33.7132 174.6528 116 K 3.3989 8.7968 129.7874 56.4442 31.9193 176.5117 117 I 4.0940 8.9802 129.6989 61.6310 38.0994 175.8079 118 D 4.7057 7.1629 124.9074 54.1992 44.0520 175.9905 119 T 4.4623 7.9406 120.6497 62.2464 69.0037 174.4757 120 I 4.2115 8.1475 128.4321 59.9126 38.9866 175.0573 121 A 5.3221 8.4569 125.9415 50.1121 22.7874 174.8163 122 A 4.8899 8.4202 120.8226 50.8158 19.4291 177.7311 123 D 4.5275 9.0243 123.4406 56.9308 41.3851 176.7356 124 E 4.8375 7.8106 115.9580 54.6604 33.6711 174.7188 125 S 4.9588 8.5713 114.3389 56.1634 65.6183 172.4730 126 F 5.0111 8.1416 113.0295 56.5817 40.7067 174.0298 127 T 4.0930 8.5846 108.9574 63.4014 70.0304 175.2659 128 Q 4.5284 7.8089 119.7517 53.7892 31.0069 179.1006 129 V 4.3162 7.7763 120.5302 63.0614 30.6300 176.5143 130 D 4.4912 8.6841 117.2639 53.9540 41.2825 176.4393 131 I 3.6533 8.0392 118.5503 64.7914 37.9726 175.4607 132 G 3.9656 8.1819 110.2390 46.3619 0.0000 173.8857 133 D 4.3267 8.3755 127.6619 55.4132 41.7832 176.6165 134 R 4.5979 8.1149 125.7907 56.2917 29.8920 177.9805 135 I 4.0149 8.0148 123.1775 62.3118 40.1110 172.2202 136 M 4.4600 8.0143 121.2480 55.1465 34.0924 175.7079 137 K 4.1678 8.1560 116.3470 56.3554 32.8741 176.9571 138 L 3.9621 7.5002 121.3988 55.1686 42.1700 176.3066 139 N 4.4027 8.1951 124.7507 53.6368 39.9298 175.1362 140 T 5.3541 8.0490 117.4935 61.9046 71.9453 172.8515 141 E 4.8899 9.3093 126.4025 54.6895 32.2517 175.1386 142 I 5.1303 8.4482 123.9584 59.8190 39.7862 175.2138 143 R 4.6600 8.8830 123.9462 54.6681 34.7803 173.6843 144 D 4.9859 8.4168 121.1487 52.3186 43.3694 175.8590 145 V 3.8739 7.6043 121.3588 59.3574 33.7446 175.8248 146 G 4.1232 8.4838 111.8932 44.6514 0.0000 170.5400 147 P 4.4043 0.0000 0.0000 63.0992 31.4336 176.4104 148 L 4.7898 7.9722 123.3228 53.5553 43.5086 176.4291 149 S 4.5288 8.9591 111.2927 57.9413 65.4582 174.3141 150 K 4.4989 7.8876 119.7437 54.6942 34.1960 176.3250 151 K 4.2381 10.1898 119.7029 59.8942 32.8192 177.1338 152 G 3.6362 8.4750 106.3323 46.4009 0.0000 170.8703 153 F 5.3213 7.0931 113.9453 56.6427 41.8807 172.4983 154 Y 4.9179 9.2766 116.5660 56.1497 41.6286 174.8372 155 L 5.2073 8.5661 122.1782 53.0286 44.2251 175.2630 156 A 4.7532 8.4723 125.4347 49.8974 21.9568 175.0829 157 F 5.1341 8.5471 119.8727 55.5435 42.3496 174.0092 158 Q 4.3383 8.9160 124.9236 54.1461 31.2583 173.8117 159 D 4.8762 9.9374 128.4579 53.0524 43.0246 176.8476 160 V 5.0219 7.8034 121.4904 60.8447 32.3761 175.4808 161 G 4.1774 8.1211 108.3111 46.9871 0.0000 174.2497 162 A 4.7163 7.3461 120.6292 49.9998 21.8543 177.1985 163 C 4.5376 8.3731 122.2208 55.3509 38.6725 171.8144 164 I 5.1010 8.3967 123.1651 58.5815 41.8018 173.5085 165 A 5.1441 8.3974 126.2769 50.4240 22.9158 174.9330 166 L 4.7506 9.5503 123.4214 53.5782 42.5475 177.6812 167 V 3.7514 9.2116 126.0471 65.3882 32.2711 176.3219 168 S 4.7615 7.8986 113.0731 56.7265 66.4851 173.0647 169 V 5.0353 9.7837 125.8221 61.4407 34.3552 173.9820 170 R 5.2895 9.5759 128.8435 54.7287 33.4833 174.2814 171 V 5.0899 9.6436 125.6565 61.6309 35.6031 174.1794 172 F 5.6010 8.4694 120.1613 57.3421 41.2467 173.2551 173 Y 4.6528 8.0729 113.3087 55.1362 39.4880 173.4415 174 K 3.5199 8.3599 124.2826 56.0714 30.5744 174.7189 175 K 4.3078 8.3354 123.4650 57.0610 32.7161 177.0792 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 N 8.42 4.62 0.00 2.63 2.82 0.00 0.00 6.77 6.78 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 2 E 7.51 4.20 0.00 1.54 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 1.91 2.12 0.00 3 V 8.64 3.91 0.67 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 0.97 0.00 0.00 0.70 0.00 0.00 4 T 8.48 4.75 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 1.41 0.00 0.00 5 L 9.05 4.80 0.00 1.54 1.65 1.19 1.18 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 6 L 7.40 4.41 0.00 1.69 1.53 1.12 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.12 5.10 0.00 2.72 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 S 9.33 4.30 0.00 3.91 4.17 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 9 R 8.67 4.11 0.00 1.90 2.03 0.00 3.13 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 10 S 7.89 4.80 0.00 4.00 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 11 V 7.96 3.99 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 0.78 0.00 0.00 1.03 0.00 0.00 12 Q 8.58 3.19 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.07 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 13 G 8.21 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 14 E 8.44 4.35 0.00 1.91 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.22 0.00 15 L 8.77 3.91 0.00 1.58 1.35 0.73 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.58 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 0.00 0.00 0.00 17 W 8.15 4.82 0.00 3.32 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 18 I 8.43 4.26 1.93 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 1.34 1.08 0.96 0.00 0.00 19 A 8.65 5.07 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 S 9.23 5.00 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 21 P 0.00 4.81 0.00 2.44 2.22 0.00 3.90 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 2.23 2.01 0.00 22 L 8.76 4.23 0.00 1.86 1.96 0.98 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 23 E 7.92 4.71 0.00 2.21 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 2.27 2.30 0.00 24 G 9.27 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 0.00 0.00 0.00 0.00 25 G 7.83 3.95 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 0.00 26 W 9.55 4.84 0.00 3.22 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 27 E 9.95 4.89 0.00 1.89 1.83 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 2.30 2.48 0.00 28 E 8.90 3.98 0.00 1.44 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.47 0.00 29 V 8.37 4.45 2.04 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 0.89 0.00 0.00 0.91 0.00 0.00 30 S 8.35 5.20 0.00 3.74 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 31 I 8.08 4.40 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.37 0.88 0.00 0.00 32 M 8.45 4.40 0.00 1.87 2.05 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.56 0.00 33 D 8.73 4.34 0.00 3.06 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.76 3.97 0.00 1.92 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 0.00 2.24 2.24 0.00 35 K 8.13 4.47 0.00 2.02 1.78 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.41 7.81 36 N 8.41 4.69 0.00 2.80 2.97 0.00 0.00 6.83 7.74 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 37 T 7.51 3.66 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 1.19 0.00 0.00 38 P 0.00 4.90 0.00 2.04 2.06 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 39 I 8.47 4.58 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.69 0.92 0.00 0.00 40 R 8.33 4.81 0.00 1.50 1.82 0.00 3.19 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.55 0.00 41 T 9.12 4.65 4.49 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 1.21 0.00 0.00 42 Y 8.17 5.29 0.00 2.82 2.87 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 0.00 0.00 0.00 43 Q 9.19 5.27 0.00 2.25 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.74 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 44 V 8.12 4.40 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 -0.54 0.00 0.00 0.62 0.00 0.00 45 C 8.18 4.82 0.00 2.83 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 N 7.94 4.60 0.00 2.80 2.71 0.00 0.00 6.64 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 47 V 7.35 3.65 2.04 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 0.72 0.00 0.00 0.92 0.00 0.00 48 M 7.92 4.21 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 57 R 8.15 4.85 0.00 1.83 1.73 0.00 3.21 0.00 0.00 3.41 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 58 T 8.30 2.48 3.13 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 0.23 0.00 0.00 59 D 7.84 5.24 0.00 2.62 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 60 W 8.88 3.21 0.00 3.12 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 61 I 7.14 3.83 0.56 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 0.72 0.22 0.36 0.00 0.00 62 T 7.58 3.32 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 1.15 0.00 0.00 63 R 8.87 4.36 0.00 1.97 2.23 0.00 3.18 0.00 0.00 3.03 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.56 0.00 64 E 9.39 3.83 0.00 1.99 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 2.39 2.32 0.00 65 G 8.22 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 A 7.65 4.55 0.54 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 0.00 0.00 67 Q 8.08 4.25 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.98 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 68 R 7.70 4.49 0.00 1.76 1.92 0.00 3.14 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 69 V 7.76 4.51 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 1.12 0.00 0.00 0.80 0.00 0.00 70 Y 8.78 4.61 0.00 1.43 2.35 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 71 I 8.76 4.78 1.89 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 1.10 1.02 1.04 0.00 0.00 72 E 10.19 5.11 0.00 2.30 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 0.00 2.37 2.43 0.00 73 I 8.90 5.11 2.20 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.12 1.20 0.00 0.00 74 K 9.86 5.60 0.00 1.77 1.74 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.30 7.81 75 F 8.52 5.25 0.00 3.21 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 76 T 8.85 4.24 4.33 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 1.57 0.00 0.00 77 L 8.17 4.38 0.00 2.12 1.89 1.01 1.14 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 78 R 8.14 2.62 0.00 1.20 1.49 0.00 3.17 0.00 0.00 3.00 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.72 0.00 79 D 9.10 4.15 0.00 2.58 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.22 3.51 0.00 3.10 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 81 N 7.86 4.76 0.00 2.87 2.92 0.00 0.00 6.97 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 82 S 8.89 4.63 0.00 3.83 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 83 L 7.33 4.78 0.00 1.59 1.57 0.87 0.99 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 84 P 0.00 3.96 0.00 2.02 2.11 0.00 3.69 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 2.03 2.12 0.00 *88 G 7.68 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 89 T 8.09 3.89 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 90 C 8.48 4.81 0.00 2.92 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 91 K 8.80 4.16 0.00 1.83 1.77 0.00 1.62 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.55 7.81 92 E 8.57 4.82 0.00 2.08 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 2.32 2.47 0.00 93 T 7.44 5.30 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 94 F 8.48 4.80 0.00 3.33 3.15 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 0.00 0.00 0.00 95 N 8.54 5.13 0.00 2.86 2.51 0.00 0.00 6.86 6.54 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 96 L 7.96 4.98 0.00 1.70 1.34 0.86 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 9.06 5.45 0.00 2.74 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 98 Y 9.12 6.06 0.00 3.27 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 99 Y 8.72 4.87 0.00 2.24 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 0.00 100 E 8.54 4.71 0.00 1.77 1.79 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 2.33 2.43 0.00 101 S 8.91 4.53 0.00 3.64 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 D 9.07 4.79 0.00 2.71 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 0.00 103 N 8.06 4.58 0.00 2.70 2.89 0.00 0.00 7.09 8.63 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 0.00 104 D 7.94 4.28 0.00 2.15 1.54 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 0.00 105 K 7.71 4.70 0.00 1.67 1.75 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.31 7.81 106 E 8.55 3.97 0.00 1.74 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.16 0.00 107 R 8.38 4.36 0.00 1.45 1.74 0.00 2.91 0.00 0.00 3.14 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.62 0.00 108 F 6.83 4.63 0.00 2.96 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 0.00 109 I 7.38 2.83 1.80 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.16 -0.21 0.00 0.00 *111 E 8.36 3.77 0.00 1.73 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 1.47 1.55 0.00 112 N 7.96 3.86 0.00 2.65 2.88 0.00 0.00 6.93 7.69 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 0.00 113 Q 7.87 3.96 0.00 1.60 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.01 0.00 0.00 0.00 0.00 0.00 2.17 2.05 0.00 114 F 8.70 4.55 0.00 3.08 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 0.00 115 V 8.48 4.55 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 1.01 0.00 0.00 0.79 0.00 0.00 116 K 8.80 3.40 0.00 1.41 1.55 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.13 0.78 7.81 117 I 8.98 4.09 1.87 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.93 0.76 0.00 0.00 118 D 7.16 4.71 0.00 2.69 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 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0.00 0.00 0.00 0.00 0.00 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 0.00 128 Q 7.81 4.53 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.03 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 129 V 7.78 4.32 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 0.78 0.00 0.00 0.98 0.00 0.00 130 D 8.68 4.49 0.00 2.56 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 0.00 0.00 0.00 0.00 131 I 8.04 3.65 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 1.36 0.93 0.94 0.00 0.00 132 G 8.18 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 0.00 0.00 0.00 133 D 8.38 4.33 0.00 2.77 1.70 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 0.00 0.00 0.00 0.00 134 R 8.11 4.60 0.00 1.71 0.86 0.00 3.26 0.00 0.00 3.13 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 135 I 8.01 4.01 1.85 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.59 0.86 0.00 0.00 136 M 8.01 4.46 0.00 1.95 1.94 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 2.35 2.32 0.00 137 K 8.16 4.17 0.00 1.66 1.84 0.00 2.06 0.00 0.00 1.66 0.00 0.00 2.80 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.34 7.81 138 L 7.50 3.96 0.00 1.55 1.56 0.85 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 139 N 8.20 4.40 0.00 1.44 2.19 0.00 0.00 6.50 6.92 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 0.00 140 T 8.05 5.35 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 1.35 0.00 0.00 141 E 9.31 4.89 0.00 2.22 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 2.98 2.62 0.00 142 I 8.45 5.13 1.98 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 1.48 1.00 1.11 0.00 0.00 143 R 8.88 4.66 0.00 1.72 1.62 0.00 3.10 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.53 0.00 144 D 8.42 4.99 0.00 2.20 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 0.00 0.00 0.00 145 V 7.60 3.87 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 0.31 0.00 0.00 -0.48 0.00 0.00 146 G 8.48 4.12 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 0.00 147 P 0.00 4.40 0.00 2.05 2.04 0.00 3.71 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 1.96 1.98 0.00 148 L 7.97 4.79 0.00 1.53 1.59 0.55 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 149 S 8.96 4.53 0.00 3.89 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 0.00 150 K 7.89 4.50 0.00 1.79 2.01 0.00 1.59 0.00 0.00 1.69 0.00 0.00 2.77 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.43 7.81 151 K 10.19 4.24 0.00 1.99 2.22 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.70 7.81 152 G 8.48 3.64 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 0.00 0.00 0.00 153 F 7.09 5.32 0.00 3.19 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 0.00 154 Y 9.28 4.92 0.00 3.23 3.06 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 0.00 155 L 8.57 5.21 0.00 1.35 1.05 1.08 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 156 A 8.47 4.75 0.43 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 0.00 157 F 8.55 5.13 0.00 2.36 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 0.00 158 Q 8.92 4.34 0.00 0.93 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.89 0.00 0.00 0.00 0.00 0.00 1.97 1.27 0.00 159 D 9.94 4.88 0.00 2.19 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 0.00 0.00 0.00 160 V 7.80 5.02 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 1.19 0.00 0.00 1.02 0.00 0.00 161 G 8.12 4.18 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 0.00 0.00 0.00 162 A 7.35 4.72 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 C 8.37 4.54 0.00 2.95 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 0.00 164 I 8.40 5.10 1.89 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.46 0.77 0.00 0.00 165 A 8.40 5.14 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 L 9.55 4.75 0.00 1.74 1.56 0.70 -0.35 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 0.00 167 V 9.21 3.75 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 0.69 0.00 0.00 0.94 0.00 0.00 168 S 7.90 4.76 0.00 3.92 3.68 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 0.00 0.00 0.00 0.00 169 V 9.78 5.04 2.52 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 1.27 0.00 0.00 1.16 0.00 0.00 170 R 9.58 5.29 0.00 1.97 1.98 0.00 3.29 0.00 0.00 3.51 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.80 0.00 171 V 9.64 5.09 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 1.12 0.00 0.00 1.06 0.00 0.00 172 F 8.47 5.60 0.00 3.10 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 0.00 173 Y 8.07 4.65 0.00 3.01 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 K 8.36 3.52 0.00 1.68 1.67 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.68 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.28 1.34 7.81 175 K 8.34 4.31 0.00 1.96 1.83 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.32 1.41 7.81 * Residues marked with a * may have inaccurate shift predictions.