NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5182 8.1927 115.4187 57.6380 64.7657 174.1128 3 L 3.2073 8.5487 121.7652 57.4360 41.6141 177.2921 4 R 3.3955 7.7924 118.5185 59.2937 30.4121 177.9900 5 S 4.0065 7.7627 113.5358 61.5922 62.9054 176.1823 6 D 4.3220 8.6889 122.9993 56.6835 40.4722 178.4656 7 L 3.8801 8.4449 121.1926 58.3312 42.1490 179.0379 8 I 3.6722 7.7269 118.3149 63.7794 37.7432 177.7023 9 N 4.2955 8.1553 117.5504 56.1621 38.3982 177.1523 10 A 4.0187 8.2306 122.3849 55.0741 18.3871 179.7239 11 L 3.9308 8.1538 117.5129 58.2601 41.8615 178.8929 12 Y 3.9443 8.1903 119.4959 60.8470 38.6215 177.9797 13 D 4.3647 8.5805 118.9302 57.3989 41.4418 177.7437 14 E 4.1714 8.7215 120.3394 59.3015 29.3644 178.2100 15 N 4.4210 8.3736 116.3152 57.0634 39.1295 176.6230 16 Q 4.0675 7.8081 120.3033 59.0981 28.8268 178.8851 17 K 4.0086 7.8549 123.1619 56.8541 32.4217 179.1947 18 Y 5.1160 7.6938 113.8759 56.6480 41.3572 174.7767 19 D 4.8839 8.7162 122.7861 52.1748 42.6646 176.1223 20 V 3.8513 7.9179 125.3450 63.0106 31.8606 175.5118 21 C 4.6944 8.4093 119.5953 57.1499 30.9361 173.0467 22 G 3.9991 7.2624 105.6524 46.6422 0.0000 172.1341 23 I 4.7465 8.4265 120.5214 59.5392 39.5964 175.3041 24 I 5.2100 8.3500 124.9627 59.3335 41.2611 174.5051 25 S 4.9377 8.7853 121.7416 56.4131 65.2951 175.0564 26 A 4.2870 8.7543 123.2205 54.9860 18.1804 178.4116 27 E 4.2222 8.1944 113.0299 56.6652 29.9566 177.1872 28 G 3.9016 8.6368 108.0408 44.8581 0.0000 173.0585 29 K 4.2368 8.2091 122.1748 55.5155 33.6012 175.5044 30 I 5.0997 8.3837 127.9780 59.7974 40.1240 174.0263 31 Y 5.0098 8.8758 123.9242 55.4736 40.7060 174.1333 32 P 4.7830 0.0000 0.0000 62.6646 32.6350 175.2594 33 L 4.6395 8.2600 119.9586 53.0249 43.7962 177.0738 34 G 3.8498 8.3809 112.8150 46.0235 0.0000 174.3318 35 S 4.5693 8.5120 114.8700 58.4153 63.0023 171.9707 36 D 4.9255 7.4802 123.1074 55.3316 42.6311 181.4169 37 T 4.2460 8.4888 118.6266 67.5219 68.3570 177.7722 38 K 3.8817 8.0574 125.6028 59.9846 31.5911 182.7872 39 V 3.6873 7.5285 119.1068 65.6705 31.6725 177.7301 40 L 3.1283 7.7196 118.8512 57.5868 41.3563 179.9219 41 S 4.1429 8.2202 115.6066 61.0907 62.9268 176.6789 42 T 3.7958 7.2696 118.8936 66.3132 68.1655 176.4792 43 I 3.5863 7.5205 121.5567 64.6357 37.2750 178.5905 44 F 4.1798 8.0170 118.5675 60.3414 38.4851 177.4679 45 E 4.1021 8.3003 119.2078 59.2984 29.2629 178.8652 46 L 4.1203 7.8046 118.1371 57.6648 41.7454 178.8906 47 F 4.3008 8.5243 120.4055 61.3860 39.5351 177.1136 48 S 4.3225 8.2932 114.4586 61.2440 62.6826 176.3463 49 R 3.7359 8.0456 121.2441 59.1805 29.9397 177.1919 50 P 4.2512 0.0000 0.0000 65.6757 31.2875 178.5545 51 I 3.5958 7.4687 119.2936 64.2440 37.1583 178.0152 52 I 3.5702 7.6942 120.8254 64.4888 36.9119 178.0290 53 N 4.2946 8.1254 117.7189 56.3269 38.7327 176.7755 54 K 3.8925 7.9906 121.0459 59.7238 32.1862 178.9355 55 I 3.7578 7.8460 119.7963 64.2351 36.9929 178.3436 56 A 4.1594 8.3106 124.1638 55.8042 18.2059 180.1775 57 E 4.0215 8.4365 119.3073 61.8847 29.6438 181.9856 58 K 4.4463 7.9988 123.4245 58.8894 31.7296 179.5685 59 H 5.0547 7.7480 112.4740 55.4600 29.2517 175.1863 60 G 3.8210 8.2702 109.0748 46.0347 0.0000 173.1500 61 Y 4.3324 8.4476 116.9488 56.6737 39.4635 175.2743 62 I 4.2070 8.2421 124.3262 60.2812 39.0800 174.8003 63 V 4.9193 8.3163 125.7772 61.3785 33.5749 174.6477 64 E 4.8817 9.4973 126.3507 54.8181 33.3780 174.6368 65 E 5.1284 8.6350 122.6337 52.8470 32.3620 174.2518 66 P 4.3155 0.0000 0.0000 63.4895 32.0073 177.6055 67 K 4.1818 8.6680 124.9397 56.3478 32.4670 177.3446 68 Q 4.6218 7.7346 117.9836 53.6507 30.0580 179.6512 69 Q 4.1813 8.4078 122.8665 56.0820 28.8432 173.9989 70 N 4.5789 8.8290 112.7297 54.2523 34.6008 175.0625 71 H 5.3513 8.1519 114.3341 54.9480 32.7544 172.3059 72 Y 4.7876 8.7153 124.2870 55.5324 40.9592 172.9434 73 P 4.3641 0.0000 0.0000 60.6208 33.7713 174.5590 74 D 4.3496 9.0426 119.4740 57.1077 41.6755 177.4313 75 F 5.0486 8.3181 116.0793 55.9505 43.3287 173.8579 76 T 5.1040 9.3608 120.6180 61.8950 70.9522 173.2849 77 L 5.5059 8.5575 127.0114 53.1321 45.1792 175.2757 78 Y 5.2704 8.2738 116.4922 56.5549 41.6284 173.0792 79 K 4.2989 7.9296 122.8310 54.9420 33.8674 175.9204 80 P 4.2815 0.0000 0.0000 65.4624 30.9838 177.1622 81 S 4.3511 7.8707 111.8460 59.3611 64.4274 173.9671 82 E 4.7394 8.0263 121.3842 54.2887 29.2657 174.8890 83 P 4.0254 0.0000 0.0000 65.7343 31.8951 177.6367 84 N 4.6824 7.9217 113.5333 52.8596 38.5536 174.9843 85 K 4.6971 7.4545 117.1146 55.8501 32.3231 176.9660 86 K 4.2841 8.1294 119.2895 56.3913 33.7800 176.8022 87 I 4.7107 8.4491 122.3070 59.1286 40.8957 173.8757 88 A 4.9223 8.8653 131.7589 50.6604 20.9906 175.7462 89 I 5.0819 8.7191 122.8620 59.5971 40.8980 174.3449 90 D 5.3292 9.3024 126.5668 52.5546 44.3693 175.0389 91 I 4.9887 9.1297 123.5769 59.9120 38.5899 175.3625 92 K 4.9802 9.2516 126.6793 55.0200 35.9674 175.4864 93 T 5.6049 8.4803 117.8422 61.8007 73.4302 172.4724 94 T 4.7069 8.3053 117.0431 61.7809 71.2222 170.6985 95 Y 4.5226 7.7975 121.1064 55.3857 41.6300 174.0497 96 T 4.2946 8.5513 112.3619 60.8325 70.6236 174.2511 97 N 4.9084 9.0070 125.9014 55.1091 39.2136 176.0843 98 K 4.3978 7.3393 119.5121 55.7708 36.3321 181.4874 *101 E 4.1787 8.2114 112.1205 55.6974 31.8304 178.3742 102 K 4.5214 8.3059 123.0053 55.2390 33.6127 175.6636 103 I 4.7272 8.7029 117.4458 60.2714 41.6069 174.5888 104 K 5.2863 7.9256 123.0952 54.3624 35.3848 173.5816 105 F 5.1127 9.7544 121.6074 55.6067 43.2877 174.0039 106 T 4.8847 8.6995 110.6784 60.0092 70.3568 174.9560 107 L 4.7621 9.1001 126.8467 54.3562 42.1235 177.8195 108 G 4.0362 8.7373 103.2579 45.0805 0.0000 173.6324 109 G 3.7388 8.0580 107.6486 45.3227 0.0000 173.3225 110 Y 4.3668 7.8887 118.9972 56.5657 38.2798 176.7652 111 T 4.5924 7.2348 108.5034 61.4710 71.5794 173.9748 112 S 4.4029 7.3444 116.9896 58.1781 61.6477 176.6220 113 F 4.3789 8.6485 113.7463 59.4352 37.8564 176.7792 114 I 2.8809 6.3817 113.7194 62.8193 37.4570 176.9101 115 R 4.1634 7.4379 117.8181 56.5176 30.8877 175.7123 116 N 4.7889 8.2205 117.0080 52.0019 41.4494 174.0997 117 N 4.3104 8.8590 125.5075 56.7566 39.1828 175.7351 118 T 4.4978 7.8033 104.1087 61.0240 69.4516 174.5092 119 K 3.9947 8.1952 124.0815 57.5632 31.0583 175.3609 120 N 4.2509 8.8544 123.4201 53.9154 35.8686 173.8694 121 I 4.9300 7.4064 116.2431 58.8106 41.1007 175.4844 122 V 3.7018 8.8773 126.5311 65.5531 31.5323 175.9607 123 Y 4.7923 7.5661 113.3336 54.8885 41.2390 173.7045 124 P 4.6474 0.0000 0.0000 62.9879 32.2656 177.1488 125 F 4.4125 9.9261 125.5572 61.8401 39.3090 176.6305 126 D 4.7452 8.9520 116.2961 54.2485 39.0302 176.5312 127 Q 4.3001 8.3994 118.6994 56.1747 29.6021 174.5103 128 Y 4.7912 7.4745 116.4137 56.4237 39.2604 175.4201 129 I 4.4905 8.4785 116.4724 60.8034 39.0697 175.2468 130 A 4.6834 7.3143 123.4835 51.3897 22.8818 175.2623 131 H 5.1310 8.8837 117.0707 54.1829 32.2161 172.4363 132 W 5.5512 9.2978 124.1067 55.2183 32.0460 175.5576 133 I 4.8911 9.1701 123.4457 59.7811 39.6877 174.8827 134 I 4.3482 9.2700 129.4498 60.1574 38.1197 174.7578 135 G 3.3154 7.3910 115.4166 44.1887 0.0000 170.8145 136 Y 5.1276 8.9765 122.2694 55.9762 41.2986 174.9617 137 V 5.0753 9.1236 122.9712 60.1022 35.0704 173.7657 138 Y 5.8779 8.1569 124.0148 54.4756 42.0372 174.0902 139 T 4.8396 8.7194 120.3133 63.1007 70.2154 175.0765 140 R 4.5291 9.2380 128.7062 58.6861 29.8586 171.0116 141 V 4.1403 8.7665 119.3927 61.6720 31.9134 176.0941 *148 L 4.1852 8.9468 124.1055 54.0847 44.2139 177.4733 149 K 4.3943 7.8054 119.9718 53.3539 33.5387 180.6331 150 T 4.7871 7.7526 105.9713 61.7514 71.3689 172.9635 151 Y 4.8746 8.9125 120.1809 56.4331 42.2965 173.7322 152 N 5.2697 9.3553 117.2998 51.4072 41.7618 175.5918 153 I 3.7624 8.6079 122.8574 65.5997 37.2396 179.0482 154 N 4.8515 8.1708 111.9322 53.1243 36.7279 176.6818 155 E 4.8032 8.4352 116.2018 56.6546 31.8162 177.6750 156 L 3.8906 7.9992 120.9857 58.0854 41.7070 178.5016 157 N 4.6064 8.1095 114.4677 54.3583 38.8469 176.0556 158 E 4.2600 8.9416 114.9729 56.4370 30.3503 181.7357 159 I 3.3859 6.7176 118.6331 60.0739 37.6590 174.1563 160 P 4.1781 0.0000 0.0000 63.2900 31.7541 175.2565 161 K 3.6748 7.9247 125.0632 51.9002 31.2928 172.0533 162 P 4.6327 0.0000 0.0000 63.2060 29.5717 173.9709 163 Y 5.1411 6.6102 114.8106 55.4309 40.7756 174.3035 164 K 4.3113 9.4062 123.8214 58.5876 33.4862 176.4062 165 G 4.3704 8.0198 104.7141 45.4299 0.0000 172.2353 166 V 5.0368 8.0113 119.2707 61.2981 34.5006 173.8643 167 K 4.6057 9.2078 127.1760 54.3464 35.6803 175.4860 168 V 5.0996 8.3283 121.6963 58.7746 34.4274 174.4871 169 F 5.1148 7.8025 116.2064 55.3584 41.9545 172.7467 170 L 5.2137 8.5369 120.8815 53.5382 44.3298 175.1545 171 Q 4.5080 9.0484 126.3409 54.4065 33.1777 173.6682 172 D 5.0030 8.4305 123.5391 54.0468 42.0621 177.5178 173 K 3.9222 9.0876 124.9133 59.4875 32.0679 179.4425 174 W 2.8355 7.8485 114.9775 59.1819 28.1641 177.8725 175 V 2.7357 6.6309 118.7439 64.6030 30.9651 176.9065 176 I 3.9980 7.1360 110.5769 59.7696 37.3718 175.5168 177 A 4.4421 7.4810 125.1427 52.6224 18.8455 177.2048 178 G 4.5885 9.1767 110.4915 43.2798 0.0000 172.6658 179 D 4.4273 8.5559 116.5567 53.0148 40.5578 175.9250 180 L 5.1155 7.8238 120.4317 52.6115 44.4658 175.6000 181 A 4.5309 8.9772 124.9207 53.1509 18.3602 178.1786 182 G 3.9695 9.5021 109.5146 48.8937 0.0000 173.9315 183 S 4.3588 7.9408 113.0533 57.8510 65.9602 174.3252 184 G 3.9703 9.0999 110.0082 46.9427 0.0000 175.2349 185 N 4.2215 8.3871 121.7146 54.8290 37.7603 176.3338 186 T 4.2596 7.8587 106.5157 60.4929 69.8406 174.9582 187 T 3.3597 7.6506 111.1141 62.9397 67.8737 170.7505 188 N 5.3593 7.7599 120.0289 52.2554 42.0044 176.2149 189 I 2.9947 8.7601 123.3513 60.8658 38.4477 175.4371 190 G 4.8497 8.5409 112.7783 44.2009 0.0000 173.9030 191 S 5.4273 8.8131 117.4235 57.2083 65.9188 173.3151 192 I 4.0048 8.2705 113.3066 61.3609 38.5953 175.6320 193 H 5.1809 8.6423 123.4691 55.3318 30.4141 172.7618 194 A 4.5211 8.6844 126.7614 51.0865 23.4522 174.9364 195 H 4.6299 8.9060 115.4313 55.8110 29.7049 176.2513 196 Y 4.4339 9.1454 123.7843 61.2942 38.9107 178.4382 197 K 3.6452 8.6546 119.6824 60.0693 31.9659 178.0383 198 D 4.1891 8.1264 118.3796 56.9362 40.5106 178.9330 199 F 3.5396 8.1187 118.8812 60.1133 38.6519 177.9284 200 V 3.2400 7.0322 116.5193 65.7823 31.3773 176.6513 201 E 3.9543 8.1402 117.3035 56.5764 29.5373 176.8528 202 G 3.5092 7.3754 108.9088 47.1576 0.0000 175.9228 203 K 4.1849 7.8598 120.8515 52.9872 30.3565 179.1207 204 G 4.3160 7.4525 111.6772 43.8488 0.0000 170.9086 205 I 4.1790 7.1758 107.9959 60.8087 39.2869 175.9473 206 F 4.7940 7.9657 119.3729 56.8210 39.9048 175.4412 207 D 4.7607 9.2031 124.4731 56.7688 41.3155 177.1553 208 S 4.0029 7.6833 112.1585 55.5514 67.3583 174.4173 209 E 3.2340 7.0870 121.6408 58.9317 29.1481 178.3961 210 D 4.3667 7.7011 118.7479 56.9729 40.9138 178.0690 211 E 4.0947 7.9995 119.7169 58.9624 29.6871 178.5268 212 F 2.3157 7.8794 120.2337 60.7371 39.4160 177.0040 213 L 3.5778 7.9679 118.5064 57.7289 41.2397 179.1025 214 D 4.3565 7.9794 116.5310 57.4504 41.1307 177.1872 215 Y 3.5562 8.0415 120.3466 60.4897 38.5499 178.1275 216 W 4.2490 7.7180 117.1426 58.6106 29.3309 178.1580 217 R 4.2921 7.8912 116.9666 57.3642 29.7341 176.6223 218 N 4.9437 7.3944 113.4052 52.6023 39.9085 173.6912 219 Y 3.4205 7.6525 120.0565 57.0728 39.3953 174.8111 220 E 4.3358 7.1632 125.9813 54.9260 30.9561 176.7342 221 R 4.6542 8.8701 120.4825 58.3140 30.5648 177.5479 222 T 4.7416 7.3306 106.3739 58.9381 73.2679 174.6970 223 S 4.0341 8.7343 120.3796 62.7508 62.6160 177.1926 224 Q 3.9035 8.0880 121.1478 60.8185 27.9704 180.8277 225 L 4.1806 7.4515 119.9818 57.8178 41.8446 179.7807 226 R 3.6101 7.9881 120.2891 60.1449 29.7952 179.1761 227 N 4.6577 8.5380 121.4829 56.3999 37.6049 178.7613 228 D 5.1040 8.2204 118.7520 56.1191 41.6847 180.9571 229 K 4.5171 7.7940 116.1735 56.5687 35.0868 174.9073 230 Y 4.7509 6.6562 115.1988 56.2756 40.6115 174.3550 231 N 4.6671 9.4535 119.9219 53.6520 40.7938 173.9473 232 N 5.5936 7.7097 113.0551 49.3695 40.7416 174.2372 233 I 3.6770 8.9532 117.0825 64.5105 37.8357 178.4160 234 S 4.1420 8.0576 115.5179 61.9298 62.7679 176.4136 235 E 4.0770 8.8987 121.3408 59.6087 29.1272 178.9570 236 Y 3.6685 8.2642 119.5850 60.6850 38.8001 178.2646 237 R 3.7719 8.4502 119.2728 59.2156 30.1244 178.8447 238 N 4.4443 8.4473 116.5263 55.9829 38.5510 177.2807 239 W 4.1408 8.3666 129.9355 60.3884 30.8834 178.2279 240 I 3.3137 7.7028 120.0091 64.1217 36.3113 177.5819 241 Y 3.8901 7.9831 119.7529 60.8462 38.7406 178.2539 242 R 4.0828 7.9127 116.8912 56.8028 30.1702 177.2422 243 G 3.9060 7.5781 107.7245 45.4958 0.0000 173.9034 244 R 2.0000 7.8444 118.6310 56.8821 27.3992 177.3688 245 K 4.1649 7.4372 123.9979 54.6560 32.4695 178.3686 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 2 S 8.19 4.52 0.00 4.06 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 3 L 8.55 3.21 0.00 1.73 1.73 0.81 -0.15 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 4 R 7.79 3.40 0.00 1.37 1.66 0.00 2.36 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.53 0.00 5 S 7.76 4.01 0.00 4.05 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 0.00 6 D 8.69 4.32 0.00 2.89 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 7 L 8.44 3.88 0.00 1.81 1.72 0.89 1.20 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 8 I 7.73 3.67 1.73 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 1.47 1.04 0.90 0.00 0.00 9 N 8.16 4.30 0.00 3.07 2.84 0.00 0.00 6.77 7.29 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 10 A 8.23 4.02 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 11 L 8.15 3.93 0.00 1.71 1.73 0.89 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 12 Y 8.19 3.94 0.00 3.18 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 13 D 8.58 4.36 0.00 3.07 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 14 E 8.72 4.17 0.00 2.25 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 0.00 1.49 2.33 0.00 15 N 8.37 4.42 0.00 2.89 2.90 0.00 0.00 7.29 7.12 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 16 Q 7.81 4.07 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.69 0.00 0.00 0.00 0.00 0.00 2.31 2.47 0.00 17 K 7.85 4.01 0.00 1.86 1.71 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.35 1.34 7.81 18 Y 7.69 5.12 0.00 3.41 3.08 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 19 D 8.72 4.88 0.00 2.71 2.70 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 20 V 7.92 3.85 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 0.80 0.00 0.00 0.94 0.00 0.00 21 C 8.41 4.69 0.00 2.95 2.92 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 22 G 7.26 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 23 I 8.43 4.75 2.00 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 1.14 1.05 0.95 0.00 0.00 24 I 8.35 5.21 1.91 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 1.44 0.92 0.94 0.00 0.00 25 S 8.79 4.94 0.00 4.21 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.75 4.29 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.19 4.22 0.00 1.97 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 2.30 2.37 0.00 28 G 8.64 3.90 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 0.00 0.00 0.00 29 K 8.21 4.24 0.00 1.82 1.64 0.00 1.54 0.00 0.00 1.44 0.00 0.00 2.49 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.95 1.24 7.81 30 I 8.38 5.10 1.91 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 1.25 0.55 0.98 0.00 0.00 31 Y 8.88 5.01 0.00 2.91 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.78 0.00 2.01 2.04 0.00 3.77 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 2.38 2.36 0.00 33 L 8.26 4.64 0.00 1.56 1.49 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.38 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 35 S 8.51 4.57 0.00 3.62 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 36 D 7.48 4.93 0.00 2.67 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 37 T 8.49 4.25 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 1.38 0.00 0.00 38 K 8.06 3.88 0.00 1.76 1.83 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.08 7.81 39 V 7.53 3.69 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 0.94 0.00 0.00 0.85 0.00 0.00 40 L 7.72 3.13 0.00 1.03 0.36 -0.27 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.22 4.14 0.00 4.05 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 0.00 42 T 7.27 3.80 4.31 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 1.16 0.00 0.00 43 I 7.52 3.59 1.53 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.50 0.73 0.00 0.00 44 F 8.02 4.18 0.00 2.55 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 0.00 0.00 0.00 0.00 45 E 8.30 4.10 0.00 2.27 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 2.50 2.59 0.00 46 L 7.80 4.12 0.00 1.89 1.77 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 47 F 8.52 4.30 0.00 3.07 3.26 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 0.00 48 S 8.29 4.32 0.00 4.21 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 49 R 8.05 3.74 0.00 1.95 2.17 0.00 3.48 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.29 0.00 50 P 0.00 4.25 0.00 2.16 2.24 0.00 3.70 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 1.96 1.92 0.00 51 I 7.47 3.60 1.90 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 1.46 0.76 0.87 0.00 0.00 52 I 7.69 3.57 1.49 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.71 0.54 0.00 0.00 53 N 8.13 4.29 0.00 2.85 2.87 0.00 0.00 6.91 5.91 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 54 K 7.99 3.89 0.00 1.93 1.99 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.48 7.81 55 I 7.85 3.76 1.86 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 1.64 0.78 0.91 0.00 0.00 56 A 8.31 4.16 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 57 E 8.44 4.02 0.00 2.01 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 2.24 2.20 0.00 58 K 8.00 4.45 0.00 1.87 1.77 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.36 7.81 59 H 7.75 5.05 0.00 3.33 3.67 0.00 5.69 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 G 8.27 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.45 4.33 0.00 2.91 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 62 I 8.24 4.21 1.14 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 0.84 0.85 0.79 0.00 0.00 63 V 8.32 4.92 2.18 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 1.03 0.00 0.00 0.97 0.00 0.00 64 E 9.50 4.88 0.00 2.17 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 2.48 0.00 65 E 8.63 5.13 0.00 1.75 1.64 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 1.63 2.11 0.00 66 P 0.00 4.32 0.00 2.04 1.99 0.00 3.51 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 67 K 8.67 4.18 0.00 1.77 1.71 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.32 0.99 7.81 68 Q 7.73 4.62 0.00 2.05 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 7.01 0.00 0.00 0.00 0.00 0.00 2.19 1.89 0.00 69 Q 8.41 4.18 0.00 2.07 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.52 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 70 N 8.83 4.58 0.00 2.92 2.88 0.00 0.00 6.49 7.90 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 71 H 8.15 5.35 0.00 3.20 3.19 0.00 5.84 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Y 8.72 4.79 0.00 2.92 2.34 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 73 P 0.00 4.36 0.00 1.62 0.49 0.00 3.67 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.33 0.00 74 D 9.04 4.35 0.00 2.93 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 75 F 8.32 5.05 0.00 2.93 2.91 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 76 T 9.36 5.10 4.59 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 0.00 0.00 1.30 0.00 0.00 77 L 8.56 5.51 0.00 1.42 1.47 0.94 0.29 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 78 Y 8.27 5.27 0.00 2.91 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 K 7.93 4.30 0.00 1.63 1.33 0.00 0.61 0.00 0.00 1.92 0.00 0.00 2.91 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.18 1.19 7.81 80 P 0.00 4.28 0.00 2.17 2.22 0.00 3.56 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.89 0.00 81 S 7.87 4.35 0.00 3.96 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 82 E 8.03 4.74 0.00 1.98 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 2.19 2.15 0.00 83 P 0.00 4.03 0.00 2.04 2.12 0.00 3.79 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 1.92 1.95 0.00 84 N 7.92 4.68 0.00 2.67 2.79 0.00 0.00 6.67 7.61 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 85 K 7.45 4.70 0.00 1.74 1.77 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.35 7.81 86 K 8.13 4.28 0.00 0.83 1.09 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.88 0.97 7.81 87 I 8.45 4.71 1.42 0.00 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.26 0.45 0.00 0.00 88 A 8.87 4.92 0.68 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 89 I 8.72 5.08 2.02 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 1.13 0.74 1.10 0.00 0.00 90 D 9.30 5.33 0.00 2.78 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 91 I 9.13 4.99 2.14 0.00 0.00 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 1.45 0.96 1.18 0.00 0.00 92 K 9.25 4.98 0.00 1.59 1.94 0.00 1.78 0.00 0.00 1.79 0.00 0.00 3.08 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.41 1.61 7.81 93 T 8.48 5.60 4.48 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 1.76 0.00 0.00 94 T 8.31 4.71 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 0.29 0.00 0.00 95 Y 7.80 4.52 0.00 1.89 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 0.00 0.00 0.00 96 T 8.55 4.29 4.05 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 1.26 0.00 0.00 97 N 9.01 4.91 0.00 2.78 2.91 0.00 0.00 6.60 7.61 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 98 K 7.34 4.40 0.00 1.71 1.43 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.25 0.99 7.81 *101 E 8.21 4.18 0.00 2.01 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.91 0.00 102 K 8.31 4.52 0.00 1.40 1.47 0.00 1.42 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.03 1.20 7.81 103 I 8.70 4.73 1.51 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 1.45 0.67 0.80 0.00 0.00 104 K 7.93 5.29 0.00 1.52 1.55 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.72 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.27 1.03 7.81 105 F 9.75 5.11 0.00 3.10 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 0.00 106 T 8.70 4.88 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 107 L 9.10 4.76 0.00 1.46 1.74 1.07 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 108 G 8.74 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 G 8.06 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 0.00 110 Y 7.89 4.37 0.00 3.36 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 0.00 111 T 7.23 4.59 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 112 S 7.34 4.40 0.00 4.14 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 0.00 113 F 8.65 4.38 0.00 3.14 3.37 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 0.00 0.00 0.00 114 I 6.38 2.88 1.52 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 1.10 0.36 0.43 0.00 0.00 115 R 7.44 4.16 0.00 1.71 1.97 0.00 3.15 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 116 N 8.22 4.79 0.00 2.61 2.60 0.00 0.00 6.61 7.39 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 0.00 117 N 8.86 4.31 0.00 2.95 2.92 0.00 0.00 6.78 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 0.00 118 T 7.80 4.50 4.29 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 1.28 0.00 0.00 119 K 8.20 3.99 0.00 1.83 2.12 0.00 1.80 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.46 7.81 120 N 8.85 4.25 0.00 3.10 3.04 0.00 0.00 6.43 7.34 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 0.00 121 I 7.41 4.93 1.97 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 1.70 1.10 1.22 0.00 0.00 122 V 8.88 3.70 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 0.59 0.00 0.00 1.00 0.00 0.00 123 Y 7.57 4.79 0.00 2.94 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 0.00 124 P 0.00 4.65 0.00 2.37 2.11 0.00 3.95 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 2.20 2.18 0.00 125 F 9.93 4.41 0.00 3.32 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 0.00 126 D 8.95 4.75 0.00 2.85 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 0.00 127 Q 8.40 4.30 0.00 1.73 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.83 0.00 0.00 0.00 0.00 0.00 2.22 2.43 0.00 128 Y 7.47 4.79 0.00 2.75 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 0.00 129 I 8.48 4.49 1.88 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.48 0.88 0.00 0.00 130 A 7.31 4.68 1.03 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 0.00 0.00 131 H 8.88 5.13 0.00 3.20 3.41 0.00 5.60 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 W 9.30 5.55 0.00 3.28 2.95 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 0.00 133 I 9.17 4.89 2.00 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 1.34 1.21 0.82 0.00 0.00 134 I 9.27 4.35 1.95 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 1.18 0.87 0.81 0.00 0.00 135 G 7.39 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 Y 8.98 5.13 0.00 2.93 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 0.00 137 V 9.12 5.08 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 1.05 0.00 0.00 1.09 0.00 0.00 138 Y 8.16 5.88 0.00 3.28 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 0.00 139 T 8.72 4.84 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 1.29 0.00 0.00 140 R 9.24 4.53 0.00 1.55 1.72 0.00 3.21 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.45 0.00 141 V 8.77 4.14 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 0.93 0.00 0.00 0.94 0.00 0.00 *148 L 8.95 4.19 0.00 1.69 1.81 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 149 K 7.81 4.39 0.00 1.77 1.61 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.30 0.98 7.81 150 T 7.75 4.79 3.90 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 0.92 0.00 0.00 151 Y 8.91 4.87 0.00 2.84 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 0.00 152 N 9.36 5.27 0.00 2.65 2.71 0.00 0.00 7.04 7.43 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 0.00 153 I 8.61 3.76 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 1.29 0.66 0.92 0.00 0.00 154 N 8.17 4.85 0.00 2.74 2.70 0.00 0.00 6.43 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 0.00 155 E 8.44 4.80 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 2.29 2.30 0.00 156 L 8.00 3.89 0.00 1.70 1.74 0.94 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 157 N 8.11 4.61 0.00 2.67 2.83 0.00 0.00 6.75 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 0.00 158 E 8.94 4.26 0.00 1.81 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.14 0.00 159 I 6.72 3.39 1.54 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.51 0.58 0.00 0.00 160 P 0.00 4.18 0.00 2.11 2.02 0.00 3.55 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.99 0.00 161 K 7.92 3.67 0.00 1.80 1.54 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 0.99 7.81 162 P 0.00 4.63 0.00 2.15 2.45 0.00 3.27 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.57 0.00 163 Y 6.61 5.14 0.00 3.19 2.95 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 0.00 164 K 9.41 4.31 0.00 1.83 1.95 0.00 1.86 0.00 0.00 1.75 0.00 0.00 2.74 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.41 7.81 165 G 8.02 4.37 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 0.00 0.00 0.00 0.00 0.00 0.00 166 V 8.01 5.04 1.78 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 0.24 0.00 0.00 0.47 0.00 0.00 167 K 9.21 4.61 0.00 1.17 0.74 0.00 1.12 0.00 0.00 0.61 0.00 0.00 2.67 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.88 1.03 7.81 168 V 8.33 5.10 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 0.39 0.00 0.00 0.04 0.00 0.00 169 F 7.80 5.11 0.00 2.88 3.16 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 0.00 170 L 8.54 5.21 0.00 1.52 1.41 0.97 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 171 Q 9.05 4.51 0.00 2.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.76 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 172 D 8.43 5.00 0.00 2.46 2.47 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 0.00 173 K 9.09 3.92 0.00 1.94 1.86 0.00 1.80 0.00 0.00 1.86 0.00 0.00 3.23 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.30 1.47 7.81 174 W 7.85 2.84 0.00 3.18 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 0.00 175 V 6.63 2.74 1.64 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 0.68 0.00 0.00 -0.81 0.00 0.00 176 I 7.14 4.00 1.90 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.75 0.68 0.00 0.00 177 A 7.48 4.44 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 0.00 0.00 0.00 0.00 0.00 178 G 9.18 4.59 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 0.00 0.00 0.00 0.00 0.00 0.00 179 D 8.56 4.43 0.00 2.43 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 0.00 0.00 0.00 180 L 7.82 5.12 0.00 1.77 1.77 1.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 181 A 8.98 4.53 1.62 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 0.00 182 G 9.50 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 0.00 183 S 7.94 4.36 0.00 3.91 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 0.00 184 G 9.10 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 0.00 185 N 8.39 4.22 0.00 2.83 3.01 0.00 0.00 5.89 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 0.00 186 T 7.86 4.26 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 1.21 0.00 0.00 187 T 7.65 3.36 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 1.09 0.00 0.00 188 N 7.76 5.36 0.00 2.75 2.75 0.00 0.00 7.09 7.20 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 0.00 189 I 8.76 2.99 1.52 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.18 0.27 0.00 0.00 190 G 8.54 4.85 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 0.00 191 S 8.81 5.43 0.00 4.34 4.57 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 0.00 192 I 8.27 4.00 1.70 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.01 0.84 0.00 0.00 193 H 8.64 5.18 0.00 3.18 3.32 0.00 5.96 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 A 8.68 4.52 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 H 8.91 4.63 0.00 3.40 3.33 0.00 5.67 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 Y 9.15 4.43 0.00 3.10 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 K 8.65 3.65 0.00 1.88 1.86 0.00 1.76 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.45 1.75 7.81 198 D 8.13 4.19 0.00 2.60 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.12 3.54 0.00 2.53 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 0.00 200 V 7.03 3.24 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 0.64 0.00 0.00 0.26 0.00 0.00 201 E 8.14 3.95 0.00 1.88 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 202 G 7.38 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 0.00 203 K 7.86 4.18 0.00 1.77 1.65 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.38 1.25 7.81 204 G 7.45 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 I 7.18 4.18 1.52 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 -0.08 0.76 0.00 0.00 206 F 7.97 4.79 0.00 3.55 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 0.00 207 D 9.20 4.76 0.00 2.82 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 0.00 208 S 7.68 4.00 0.00 3.72 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 0.00 209 E 7.09 3.23 0.00 1.16 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 2.36 2.40 0.00 210 D 7.70 4.37 0.00 2.73 2.72 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 0.00 211 E 8.00 4.09 0.00 2.22 2.34 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 2.64 2.68 0.00 212 F 7.88 2.32 0.00 2.60 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 0.00 213 L 7.97 3.58 0.00 1.89 1.71 1.13 1.01 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 0.00 214 D 7.98 4.36 0.00 2.92 2.91 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 0.00 215 Y 8.04 3.56 0.00 2.38 2.72 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 0.00 216 W 7.72 4.25 0.00 2.93 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 0.00 217 R 7.89 4.29 0.00 1.89 2.01 0.00 3.22 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 218 N 7.39 4.94 0.00 2.77 2.74 0.00 0.00 6.92 7.34 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 0.00 219 Y 7.65 3.42 0.00 2.25 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 220 E 7.16 4.34 0.00 1.52 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 1.81 1.96 0.00 221 R 8.87 4.65 0.00 1.83 2.09 0.00 3.23 0.00 0.00 3.95 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.83 0.00 222 T 7.33 4.74 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 1.22 0.00 0.00 223 S 8.73 4.03 0.00 3.85 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 0.00 224 Q 8.09 3.90 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.05 0.00 0.00 0.00 0.00 0.00 2.29 2.06 0.00 225 L 7.45 4.18 0.00 1.56 1.58 0.85 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 226 R 7.99 3.61 0.00 1.71 1.89 0.00 2.52 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 1.38 0.00 227 N 8.54 4.66 0.00 2.77 2.74 0.00 0.00 6.69 7.93 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 0.00 228 D 8.22 5.10 0.00 2.68 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 0.00 229 K 7.79 4.52 0.00 1.37 0.99 0.00 1.40 0.00 0.00 0.91 0.00 0.00 2.15 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.30 1.04 7.81 230 Y 6.66 4.75 0.00 3.01 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 0.00 231 N 9.45 4.67 0.00 3.01 2.89 0.00 0.00 6.37 6.71 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 0.00 232 N 7.71 5.59 0.00 3.08 2.99 0.00 0.00 6.38 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 0.00 233 I 8.95 3.68 1.56 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 1.22 1.38 0.84 0.00 0.00 234 S 8.06 4.14 0.00 3.93 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 0.00 235 E 8.90 4.08 0.00 2.23 2.16 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 2.40 2.45 0.00 236 Y 8.26 3.67 0.00 2.23 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 0.00 237 R 8.45 3.77 0.00 2.07 1.99 0.00 3.24 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.02 0.00 238 N 8.45 4.44 0.00 2.96 2.92 0.00 0.00 6.61 7.28 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 0.00 239 W 8.37 4.14 0.00 3.61 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 0.00 240 I 7.70 3.31 1.74 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.42 0.79 0.00 0.00 241 Y 7.98 3.89 0.00 2.98 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 242 R 7.91 4.08 0.00 1.83 1.90 0.00 3.41 0.00 0.00 3.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.86 0.00 243 G 7.58 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 0.00 0.00 0.00 244 R 7.84 2.00 0.00 1.44 1.16 0.00 2.92 0.00 0.00 3.04 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.94 0.00 245 K 7.44 4.16 0.00 1.73 1.52 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.24 0.95 7.81 * Residues marked with a * may have inaccurate shift predictions.