NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 31 K 4.2258 8.3031 119.9970 55.7734 34.5071 174.5404 32 G 3.6071 8.2602 112.9559 46.4846 0.0000 175.7130 33 R 4.0894 8.8108 122.9975 60.7948 30.5551 178.4582 34 D 4.6712 7.9911 117.9315 56.7678 40.9000 178.3756 35 E 3.8823 7.9661 119.7093 59.1227 29.7141 178.4679 36 A 3.7798 7.6539 120.3425 54.9269 18.4685 179.3338 37 R 3.9849 7.9676 117.2956 60.0143 30.1723 178.3989 38 D 4.3611 8.2293 118.1729 57.1855 40.6847 178.6997 39 A 3.8873 7.8705 121.1700 55.4844 18.3654 179.2520 40 Y 4.2106 7.9328 115.4178 61.4122 37.8651 179.0831 41 I 3.7842 8.0454 120.6980 64.4892 37.1861 178.5581 42 Q 3.9578 8.1577 118.9788 58.6315 28.5106 178.4370 43 L 3.8668 8.2716 121.8275 57.9719 42.1602 179.1228 44 G 3.7871 8.4703 106.0103 48.1452 0.0000 175.6848 45 L 4.2051 8.2408 121.9665 56.9674 41.4965 180.0085 46 G 3.4656 7.9591 106.1477 47.8296 0.0000 175.4309 47 Y 4.3312 7.7613 119.2940 60.7753 37.8789 178.7493 48 L 4.0095 8.0379 119.8258 58.0510 41.6009 179.4594 49 Q 4.0337 8.0311 117.8152 58.9119 29.0242 177.6178 50 R 4.3169 7.7806 116.6346 56.1377 30.4805 177.4216 51 G 3.9694 8.2143 107.9932 45.4979 0.0000 174.2088 52 N 4.6899 8.0331 119.8478 51.7709 37.4214 175.5261 53 T 3.9193 7.8866 120.3375 67.0671 69.4152 176.6831 54 E 3.8779 8.2143 120.6980 59.4941 29.3796 178.7471 55 Q 3.7585 7.8190 117.6261 58.3869 28.4777 178.3261 56 A 4.2640 7.6899 122.1061 54.9812 18.1845 179.7264 57 K 3.7817 7.6694 117.3796 59.5186 32.0962 179.1736 58 V 3.4936 7.3166 117.0681 65.8041 31.3347 176.1891 59 P 4.1791 0.0000 0.0000 65.7516 31.3520 178.7366 60 L 3.9779 7.7009 117.7325 57.7361 41.3735 179.7908 61 R 3.9391 8.2700 118.4710 58.7349 29.9705 179.2120 62 K 3.7036 7.6733 117.8404 59.2010 31.9093 178.9669 63 A 4.0544 7.8934 121.0922 55.4971 18.4153 179.7944 64 L 4.1462 8.0295 119.5487 58.3287 41.3876 180.2085 65 E 4.1233 8.1656 118.2219 60.8813 29.6718 182.6795 66 I 4.3875 7.5175 119.0316 63.0926 38.2676 175.9448 67 D 4.6154 8.1908 119.7931 51.3760 41.6110 173.2090 68 P 4.3154 0.0000 0.0000 63.5398 31.6464 177.3820 69 S 4.6652 7.7583 110.3357 57.5450 63.4649 174.3176 70 S 4.0335 8.2590 116.7383 59.2098 62.7505 174.6874 71 A 4.0680 8.6305 131.5737 55.4070 18.3012 178.8690 72 D 4.2846 8.0781 116.7405 57.1093 40.9405 178.7148 73 A 3.9584 7.9384 121.5100 55.2953 18.3905 179.3412 74 H 4.2567 8.3941 115.8425 58.4100 28.6465 177.8444 75 A 3.8238 8.2211 122.4324 55.0530 18.1996 179.6105 76 A 3.8530 7.9382 119.2597 55.1789 18.4509 179.5607 77 L 3.5814 7.9228 118.6753 58.0443 42.0097 178.8783 78 A 3.6926 8.0038 121.0896 55.2884 18.0345 179.9452 79 V 3.7800 7.2382 110.2313 63.6355 31.6193 179.0744 80 V 3.4505 7.3009 118.5159 66.0210 31.1604 177.9883 81 F 4.4253 7.5091 116.0745 60.6337 38.8127 177.0910 82 Q 4.2739 8.0786 118.1917 59.7232 28.9540 178.2845 83 T 4.0889 8.0989 115.8627 66.4318 68.4780 176.2257 84 E 4.1712 7.9157 119.7128 58.2335 31.4703 177.4905 *86 E 4.2390 7.6528 118.6642 55.2600 30.2572 174.4992 87 P 4.6451 0.0000 0.0000 65.9047 31.6150 178.8703 88 K 4.0071 8.0217 117.6376 59.2954 32.0751 179.1739 89 L 3.6530 7.6342 118.5206 57.3862 41.3992 179.1942 90 A 3.8606 7.9401 120.7227 55.1258 18.2752 179.0040 91 D 4.3499 8.2411 116.8440 57.7069 41.3135 178.2034 92 E 3.8823 8.1238 119.6246 59.3017 29.0572 178.6632 93 E 3.9463 8.1382 118.7168 59.3471 29.5921 178.7292 94 Y 4.0285 7.9243 117.2485 61.1259 37.7549 179.0127 95 R 3.8572 7.9337 118.9863 59.0414 30.0512 179.2785 96 K 3.9051 8.0326 118.2451 59.1448 31.5825 179.2643 97 A 3.9832 8.0204 121.1978 55.1056 18.2583 179.2844 98 L 4.0880 7.9245 115.7788 56.4002 41.5951 179.3161 99 A 3.9979 7.4492 120.6951 55.5856 18.3995 179.0782 100 S 4.3744 7.5216 112.2092 60.0961 63.3582 174.8618 101 D 4.7382 7.9219 128.8699 51.0529 39.8533 176.6309 102 S 4.4408 8.5652 119.7891 59.9805 63.1157 175.4913 103 R 4.3734 7.6507 118.6220 55.8099 30.4641 175.7482 104 N 4.2969 7.9186 117.8054 53.4981 39.1114 175.0495 105 A 3.7661 8.2985 131.2926 54.9479 18.4273 178.8849 106 R 3.3558 7.2155 117.8829 58.9486 30.2112 178.8636 107 V 3.6836 8.0266 118.0097 65.8797 31.4323 177.9511 108 L 4.0416 8.2527 119.3263 57.7243 41.3463 179.0706 109 N 4.2538 8.2496 117.1097 56.6176 38.9360 176.7754 110 N 4.4144 8.3610 118.0592 56.4637 38.6359 176.8016 111 Y 3.2781 8.2005 121.3957 60.4218 38.8341 178.2662 112 G 3.6023 8.3836 107.0782 47.5480 0.0000 175.9352 113 G 3.6760 8.2604 108.0750 47.5228 0.0000 175.6119 114 F 4.2935 8.3018 123.1271 61.2344 39.4283 177.0872 115 L 3.5933 8.4530 118.8844 57.8381 41.3442 179.0044 116 Y 4.1295 8.1419 119.3315 60.9002 38.5803 178.0505 117 E 3.8056 7.9610 118.0952 58.9895 29.6026 178.4231 118 Q 4.0123 7.3066 115.3289 54.9878 28.9145 176.0678 119 K 2.5796 7.0855 118.1430 57.4450 30.6219 177.8606 120 R 4.1433 7.1674 118.7865 54.8066 26.5004 176.1412 121 Y 4.4566 6.9269 122.9869 61.9423 38.5421 179.0855 122 E 4.0706 8.2331 118.4796 61.3684 29.9117 180.7792 123 E 4.4224 8.3780 120.5453 58.3109 29.4854 179.0104 124 A 3.8237 8.1554 121.0686 55.3304 18.4202 178.7505 125 Y 3.9857 8.3705 118.2531 61.1439 38.6258 178.4783 126 Q 3.9473 8.1470 118.5911 59.2352 28.8819 179.3266 127 R 3.9755 7.9269 118.8845 59.1542 30.0257 179.1772 128 L 3.8619 8.0874 119.1904 57.5805 41.3169 179.4671 129 L 3.7427 7.6488 118.5524 57.6535 41.9027 178.8911 130 E 4.0037 7.9987 118.6186 59.0240 29.4352 178.6234 131 A 3.9212 7.9309 121.2116 55.0117 18.2149 179.5945 132 S 3.8780 7.8077 111.4539 61.0196 62.9637 176.3359 133 Q 4.3563 7.6958 120.6605 57.2909 29.0435 175.7050 134 D 4.5996 7.7261 120.6817 53.1958 39.8439 176.4228 135 T 4.3017 8.3199 114.7510 62.5756 69.1768 175.4169 136 L 4.4289 8.0244 121.5033 54.8710 42.4717 175.9413 137 Y 4.3967 7.8345 121.8754 56.8493 38.8718 174.5856 138 P 4.1992 0.0000 0.0000 65.2491 31.6971 176.8441 139 E 4.2954 5.9000 115.7915 55.9344 29.8950 177.6743 140 R 3.9345 7.5657 122.9615 59.6503 29.8563 178.2687 141 S 4.3603 8.1141 113.5964 61.7497 62.6811 176.7292 142 R 3.9986 8.1791 121.6665 58.7796 29.7851 179.0144 143 V 3.9497 7.5403 119.0281 65.6362 31.5545 178.0450 144 F 4.2973 7.9831 117.3866 60.1755 38.6223 177.3721 145 E 4.2099 8.3060 119.2860 59.5615 29.4211 178.6399 146 N 4.1303 8.3967 116.7088 56.2433 38.5472 177.4082 147 L 3.7836 7.8122 120.5626 57.4362 41.4867 179.8392 148 G 2.7332 7.7353 105.6625 47.4105 0.0000 175.8321 149 L 4.1174 7.9775 121.8552 57.5226 41.3800 179.7787 150 V 3.7176 7.5997 117.2540 66.1575 31.7348 177.9162 151 S 4.1648 8.1726 114.9153 61.2850 62.3769 176.5272 152 L 3.9997 7.5245 120.9566 57.7275 42.0357 181.4074 153 Q 4.0442 7.3970 117.6770 54.9582 27.7209 176.7734 *155 K 4.1552 7.8972 113.3682 56.7730 34.2659 177.4253 156 K 4.6053 7.8823 115.8812 53.2875 32.5249 175.5213 157 P 4.2171 0.0000 0.0000 65.8026 31.6602 178.6078 158 A 3.9791 7.8695 120.1148 54.8707 18.3879 179.2446 159 Q 3.7386 7.9566 117.5028 59.0803 29.2657 177.8782 160 A 3.8215 8.2088 122.1773 54.9758 18.2944 179.3713 161 K 3.9610 8.0518 117.9595 59.9330 32.2927 178.7963 162 E 4.0101 7.8897 118.2238 59.5707 29.3043 179.0762 163 Y 4.1725 7.6248 116.6993 61.1117 37.9428 178.3516 164 F 4.5993 8.3964 119.0872 60.8195 38.9820 177.5949 165 E 4.0624 8.6449 118.5101 59.3117 29.1120 179.5545 166 K 3.7970 7.9551 118.5583 59.3091 31.9959 179.2878 167 S 4.2711 8.2262 113.4073 61.5858 62.1760 176.2727 168 L 4.4991 7.8701 121.4754 56.8249 41.4194 179.0602 169 R 4.0716 7.7425 118.4938 59.1427 30.0621 178.0085 170 L 4.5442 7.6787 117.8360 56.0390 42.2143 176.5162 171 N 4.7491 8.3316 117.6688 52.2227 39.8748 174.6967 172 R 3.9957 8.5384 125.4818 58.7683 30.9394 177.7003 173 N 4.7019 7.8447 117.9788 52.3102 37.4648 175.8939 174 Q 4.4900 7.3316 118.4305 52.0481 30.7459 174.0635 175 P 4.3798 0.0000 0.0000 65.7055 31.4854 177.9217 176 S 4.1484 8.1158 112.3398 61.4325 62.6418 176.6567 177 V 3.2582 7.6657 120.3470 65.5129 31.4924 177.2835 178 A 4.2006 7.9111 119.5918 55.1486 18.3991 179.0951 179 L 3.7715 7.9492 118.8069 57.9359 42.0603 179.7840 180 E 4.0523 7.4365 116.5379 56.3888 29.1554 178.8417 *182 A 4.4034 7.9789 123.6023 52.4261 20.8077 179.4478 183 D 4.4145 8.3035 114.9155 57.4485 41.2651 178.4737 184 L 4.0007 7.9646 119.3658 57.8862 41.7033 179.4974 185 L 3.9773 7.9017 118.3672 57.8391 41.5328 178.6208 186 Y 4.1649 8.5244 119.8542 60.9665 38.5645 178.6329 187 K 3.8057 8.2308 117.5940 58.8444 32.1826 178.1858 188 E 4.1715 7.6361 116.4026 55.7693 29.7343 177.2033 189 R 2.8325 7.3768 117.3093 56.7614 29.0352 177.6424 190 E 4.2159 7.5006 120.1159 54.9484 26.0347 176.5472 191 Y 4.5859 7.0705 120.3482 61.5726 38.5767 179.1599 192 V 3.9471 8.0519 118.3382 65.7648 31.8122 176.2627 193 P 4.6763 0.0000 0.0000 64.7653 31.1494 178.2801 194 A 4.2094 8.3724 119.8449 55.4795 18.3801 179.5456 195 R 3.9564 8.6432 117.3751 59.7070 29.8850 178.6130 196 Q 3.9439 8.1425 117.6556 59.4393 28.7353 178.6562 197 Y 4.0523 8.2933 117.6539 60.9066 37.4632 177.9494 198 Y 4.0530 8.5803 121.0412 60.9708 39.0461 177.6733 199 D 4.5257 8.7958 120.2607 57.5653 40.7083 178.7640 200 L 3.9627 7.7554 119.6971 57.9751 41.8648 178.5798 201 F 4.2112 8.3843 120.5992 61.1367 39.3487 176.9563 202 A 3.3231 8.2248 120.9565 54.5167 18.0924 178.6283 203 Q 4.7246 7.8794 115.5985 56.7514 29.6711 176.8319 204 G 3.8518 7.4986 106.5101 45.1308 0.0000 173.6047 205 G 3.9712 7.9036 111.2637 44.2509 0.0000 175.6673 206 G 3.9722 7.9993 108.3710 45.5787 0.0000 172.4308 207 Q 4.6923 7.9142 113.9061 55.2720 32.3897 173.3112 208 N 5.3021 9.1008 118.0063 49.0575 41.1099 174.8788 209 A 3.2733 7.4759 118.6148 55.2221 18.1211 179.3127 210 R 3.7087 7.7873 116.6015 59.8931 30.0020 178.7164 211 S 4.1140 9.0087 114.0861 61.2111 62.8632 176.3646 212 L 3.5498 7.9242 122.8326 57.4268 41.2490 179.1713 213 L 3.8748 7.7875 120.3591 57.8584 42.0138 178.7765 214 L 3.7382 7.8602 120.4623 58.0105 41.9708 179.2477 215 G 3.1949 8.1112 107.2336 46.9137 0.0000 175.8028 216 I 3.7855 8.0131 122.4138 64.5021 37.0255 178.8673 217 R 4.0167 8.2040 119.0231 58.9803 29.7460 179.2487 218 L 4.1046 7.7773 118.9193 57.5160 41.5946 179.0516 219 A 4.0412 8.1812 120.9529 55.3062 18.1726 179.7022 220 K 3.8540 8.0579 116.8882 59.7427 31.8726 179.7276 221 V 3.3553 7.2656 117.4405 65.1029 31.4219 177.1777 222 F 4.5462 7.7269 115.6938 58.5279 41.4601 176.6202 223 E 3.6786 7.1600 114.3655 58.0447 26.9770 177.1757 224 D 4.8326 8.0791 122.2052 51.8045 41.6643 176.1322 225 R 4.0600 8.3772 126.5797 59.6061 30.1978 177.9531 226 D 4.3777 8.2123 120.7653 58.7074 39.6560 181.3064 227 T 3.6529 8.2705 110.0613 64.5525 68.6154 176.0714 228 A 3.9009 7.7061 123.1659 54.9689 18.1210 179.5209 229 A 4.1144 7.9331 117.8605 55.0137 18.7409 179.6138 230 S 4.1843 8.3687 112.0601 61.9456 62.5226 175.9313 231 Y 4.5503 8.6653 120.1870 61.2776 37.5895 179.1139 232 G 2.9760 7.8783 106.4479 46.9758 0.0000 175.6088 233 L 3.9863 8.1219 123.1562 58.3190 42.2521 178.4998 234 Q 4.0307 8.2015 118.9964 59.3440 28.9422 178.2622 235 L 4.2843 8.3714 123.8483 58.6974 41.9254 179.7293 236 K 2.7745 7.7691 122.8570 58.9372 31.6858 181.0842 237 R 4.1394 8.1624 118.7626 59.0302 30.2049 177.7822 238 L 4.2591 8.0469 116.3589 54.6989 43.2163 176.1379 239 Y 4.8566 7.7133 117.4351 56.1985 38.9704 175.5136 240 P 3.9161 0.0000 0.0000 65.2962 31.2781 176.9532 241 G 4.0702 7.9824 105.2740 45.1984 0.0000 174.2018 242 S 4.5186 8.3089 116.4785 57.7223 65.3315 175.0025 243 L 4.0355 8.4428 124.2186 58.1110 41.8498 179.0226 244 E 4.1242 8.2235 118.4170 59.7574 29.4686 178.5661 245 Y 4.3417 8.1770 119.3903 60.5370 38.5916 177.7149 246 Q 3.8111 7.6255 119.7004 59.2807 29.5195 177.8945 247 E 4.0856 8.3501 119.5970 59.2297 29.4537 178.9044 248 F 4.3027 8.4156 120.8582 61.7397 39.1886 177.2608 249 Q 3.4830 7.5060 115.9218 58.4813 28.4042 178.1943 250 A 4.1225 7.3710 117.9246 51.5284 18.1828 176.5740 251 E 3.5452 7.5994 118.1677 57.8503 28.7708 174.4983 252 K 4.1678 8.1059 122.5311 56.1837 32.2942 175.8565 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 31 K 8.30 4.23 0.00 1.88 2.00 0.00 1.53 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.50 1.52 7.81 32 G 8.26 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 0.00 0.00 0.00 33 R 8.81 4.09 0.00 1.83 1.94 0.00 3.25 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.28 0.00 34 D 7.99 4.67 0.00 2.75 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 35 E 7.97 3.88 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 36 A 7.65 3.78 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 37 R 7.97 3.98 0.00 2.04 2.13 0.00 3.11 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 38 D 8.23 4.36 0.00 2.99 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 39 A 7.87 3.89 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 40 Y 7.93 4.21 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 41 I 8.05 3.78 2.04 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 1.53 0.76 0.91 0.00 0.00 42 Q 8.16 3.96 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.57 2.47 0.00 43 L 8.27 3.87 0.00 1.81 1.93 0.56 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 44 G 8.47 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 0.00 0.00 0.00 45 L 8.24 4.21 0.00 1.82 1.73 0.92 0.82 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 46 G 7.96 3.47 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 0.00 47 Y 7.76 4.33 0.00 3.21 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 48 L 8.04 4.01 0.00 1.90 1.74 0.90 0.88 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 49 Q 8.03 4.03 0.00 2.06 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.95 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 50 R 7.78 4.32 0.00 2.16 2.05 0.00 3.26 0.00 0.00 3.22 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 51 G 8.21 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 52 N 8.03 4.69 0.00 3.02 2.73 0.00 0.00 6.88 6.48 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 53 T 7.89 3.92 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 54 E 8.21 3.88 0.00 2.04 1.89 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 2.35 2.41 0.00 55 Q 7.82 3.76 0.00 1.85 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 56 A 7.69 4.26 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 57 K 7.67 3.78 0.00 1.77 1.78 0.00 1.75 0.00 0.00 1.52 0.00 0.00 2.72 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.19 1.27 7.81 58 V 7.32 3.49 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 0.98 0.00 0.00 0.84 0.00 0.00 59 P 0.00 4.18 0.00 2.32 2.32 0.00 3.85 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.44 0.00 60 L 7.70 3.98 0.00 1.55 1.63 0.85 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 61 R 8.27 3.94 0.00 1.71 1.90 0.00 3.27 0.00 0.00 3.13 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.71 0.00 62 K 7.67 3.70 0.00 1.11 0.88 0.00 0.97 0.00 0.00 1.04 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.15 1.32 7.81 63 A 7.89 4.05 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 8.03 4.15 0.00 1.78 1.66 0.79 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 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3.32 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.48 0.00 141 S 8.11 4.36 0.00 4.16 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 0.00 142 R 8.18 4.00 0.00 2.12 2.06 0.00 3.15 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 143 V 7.54 3.95 1.96 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 1.08 0.00 0.00 0.98 0.00 0.00 144 F 7.98 4.30 0.00 3.35 3.29 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 0.00 145 E 8.31 4.21 0.00 2.19 2.20 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 2.42 2.56 0.00 146 N 8.40 4.13 0.00 2.80 2.70 0.00 0.00 7.09 7.56 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 0.00 147 L 7.81 3.78 0.00 1.19 0.13 0.51 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 148 G 7.74 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 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2.03 0.00 158 A 7.87 3.98 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 0.00 159 Q 7.96 3.74 0.00 2.07 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.49 2.29 0.00 160 A 8.21 3.82 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 0.00 161 K 8.05 3.96 0.00 2.00 2.02 0.00 1.78 0.00 0.00 1.63 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.48 7.81 162 E 7.89 4.01 0.00 1.90 1.72 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 2.22 2.41 0.00 163 Y 7.62 4.17 0.00 2.91 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 0.00 164 F 8.40 4.60 0.00 3.13 2.93 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 0.00 165 E 8.64 4.06 0.00 2.11 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 2.37 2.44 0.00 166 K 7.96 3.80 0.00 1.41 0.88 0.00 0.88 0.00 0.00 0.97 0.00 0.00 2.61 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.14 1.40 7.81 167 S 8.23 4.27 0.00 4.15 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 0.00 168 L 7.87 4.50 0.00 1.79 1.84 1.09 0.91 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 0.00 169 R 7.74 4.07 0.00 2.03 1.95 0.00 3.23 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 170 L 7.68 4.54 0.00 1.85 1.77 1.17 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 171 N 8.33 4.75 0.00 2.77 2.69 0.00 0.00 7.11 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 0.00 172 R 8.54 4.00 0.00 1.85 2.00 0.00 3.44 0.00 0.00 3.44 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 173 N 7.84 4.70 0.00 2.69 2.75 0.00 0.00 6.96 6.81 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 0.00 174 Q 7.33 4.49 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.59 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 175 P 0.00 4.38 0.00 2.20 2.22 0.00 3.62 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 176 S 8.12 4.15 0.00 4.03 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 0.00 177 V 7.67 3.26 2.20 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 0.88 0.00 0.00 1.05 0.00 0.00 178 A 7.91 4.20 1.57 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 0.00 0.00 179 L 7.95 3.77 0.00 0.72 1.47 0.18 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 180 E 7.44 4.05 0.00 1.16 1.20 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 2.16 1.91 0.00 *182 A 7.98 4.40 1.60 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 0.00 0.00 183 D 8.30 4.41 0.00 2.86 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 0.00 184 L 7.96 4.00 0.00 1.75 1.72 1.12 0.48 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 0.00 185 L 7.90 3.98 0.00 1.80 1.96 1.11 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 186 Y 8.52 4.16 0.00 3.18 3.27 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 0.00 187 K 8.23 3.81 0.00 2.00 1.84 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.75 7.81 188 E 7.64 4.17 0.00 2.07 1.89 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 2.26 2.44 0.00 189 R 7.38 2.83 0.00 1.69 1.69 0.00 3.29 0.00 0.00 3.11 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.59 0.00 190 E 7.50 4.22 0.00 2.09 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 2.22 2.45 0.00 191 Y 7.07 4.59 0.00 3.04 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 0.00 192 V 8.05 3.95 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 1.17 0.00 0.00 1.22 0.00 0.00 193 P 0.00 4.68 0.00 2.35 2.24 0.00 4.33 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.09 0.00 194 A 8.37 4.21 1.73 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 0.00 0.00 195 R 8.64 3.96 0.00 1.90 2.07 0.00 2.21 0.00 0.00 2.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.47 0.00 196 Q 8.14 3.94 0.00 2.29 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.64 0.00 197 Y 8.29 4.05 0.00 3.23 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 0.00 198 Y 8.58 4.05 0.00 3.23 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 0.00 199 D 8.80 4.53 0.00 2.85 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 0.00 200 L 7.76 3.96 0.00 1.62 1.96 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 201 F 8.38 4.21 0.00 3.20 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 0.00 202 A 8.22 3.32 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 0.00 203 Q 7.88 4.72 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.65 0.00 0.00 0.00 0.00 0.00 2.50 2.33 0.00 204 G 7.50 3.85 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 0.00 0.00 0.00 205 G 7.90 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 0.00 206 G 8.00 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 0.00 207 Q 7.91 4.69 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.71 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 208 N 9.10 5.30 0.00 2.68 2.89 0.00 0.00 6.73 6.83 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 0.00 209 A 7.48 3.27 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 R 7.79 3.71 0.00 1.79 2.03 0.00 3.12 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 211 S 9.01 4.11 0.00 3.90 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 L 7.92 3.55 0.00 1.68 1.59 1.00 0.00 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 0.00 213 L 7.79 3.87 0.00 1.73 1.74 0.99 0.62 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 0.00 214 L 7.86 3.74 0.00 1.72 1.81 0.56 1.10 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 0.00 215 G 8.11 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 0.00 0.00 0.00 216 I 8.01 3.79 2.01 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.75 1.04 0.00 0.00 217 R 8.20 4.02 0.00 1.48 1.94 0.00 3.01 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 218 L 7.78 4.10 0.00 1.63 1.75 0.82 1.03 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 0.00 219 A 8.18 4.04 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 0.00 220 K 8.06 3.85 0.00 2.02 1.88 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.51 1.73 7.81 221 V 7.27 3.36 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 -0.30 0.00 0.00 0.38 0.00 0.00 222 F 7.73 4.55 0.00 3.06 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 0.00 223 E 7.16 3.68 0.00 2.02 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 2.26 2.19 0.00 224 D 8.08 4.83 0.00 2.66 2.53 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 0.00 225 R 8.38 4.06 0.00 1.89 1.98 0.00 3.20 0.00 0.00 3.38 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 226 D 8.21 4.38 0.00 2.68 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 0.00 227 T 8.27 3.65 3.54 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 1.08 0.00 0.00 228 A 7.71 3.90 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 A 7.93 4.11 1.40 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 0.00 0.00 230 S 8.37 4.18 0.00 3.87 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 0.00 231 Y 8.67 4.55 0.00 2.95 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 0.00 232 G 7.88 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 0.00 0.00 0.00 233 L 8.12 3.99 0.00 1.99 1.83 0.98 0.91 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 0.00 234 Q 8.20 4.03 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.69 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 235 L 8.37 4.28 0.00 1.91 1.84 0.94 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 236 K 7.77 2.77 0.00 1.92 1.71 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.39 1.31 7.81 237 R 8.16 4.14 0.00 1.80 2.12 0.00 3.19 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 238 L 8.05 4.26 0.00 1.11 1.00 0.87 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 239 Y 7.71 4.86 0.00 3.12 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 0.00 240 P 0.00 3.92 0.00 2.13 2.22 0.00 3.71 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.90 0.00 241 G 7.98 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 0.00 242 S 8.31 4.52 0.00 4.31 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 0.00 243 L 8.44 4.04 0.00 1.81 1.73 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 244 E 8.22 4.12 0.00 2.11 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 2.49 2.42 0.00 245 Y 8.18 4.34 0.00 3.27 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 0.00 246 Q 7.63 3.81 0.00 2.13 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 247 E 8.35 4.09 0.00 2.24 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 2.35 2.63 0.00 248 F 8.42 4.30 0.00 3.09 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 0.00 249 Q 7.51 3.48 0.00 1.97 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.14 0.00 0.00 0.00 0.00 0.00 1.71 1.85 0.00 250 A 7.37 4.12 1.25 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 0.00 251 E 7.60 3.55 0.00 1.95 1.93 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 2.18 2.22 0.00 252 K 8.11 4.17 0.00 1.81 1.80 0.00 2.04 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.46 7.81 * Residues marked with a * may have inaccurate shift predictions.