NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 T 4.2337 8.1593 112.9131 60.5241 70.1209 173.2168 14 I 4.1545 7.5047 115.7796 59.3812 40.0669 173.3131 15 F 4.8801 8.1440 119.6006 56.4415 41.1993 177.3408 16 S 4.5861 8.3536 118.3150 55.5094 64.3437 173.5848 17 P 4.5288 0.0000 0.0000 64.8542 31.0546 177.3352 18 E 4.2265 7.9878 116.3110 55.9380 30.0889 175.7921 19 G 3.4922 8.4096 106.8640 46.4930 0.0000 173.6608 20 R 4.6002 7.4364 115.5681 53.4363 34.4609 175.3177 21 L 4.8111 8.0289 121.7850 53.4333 42.0947 176.6457 22 Y 3.6036 8.0851 120.5436 61.6649 37.6538 178.4857 23 Q 3.9816 8.0366 118.0936 59.4985 29.0434 180.1206 24 V 3.5788 7.5838 118.3320 65.9664 31.8335 177.6446 25 E 3.9977 8.1955 118.3800 59.9259 29.3896 179.1061 26 Y 4.3840 8.3981 116.7825 60.9313 37.8508 178.4694 27 A 4.0294 8.4085 122.1639 55.3722 18.5490 179.5539 28 L 3.9554 8.2314 117.6237 57.8753 41.4083 179.3853 29 E 3.8185 7.8643 118.1475 59.3548 29.9389 178.1684 30 S 4.3087 7.9416 113.0872 61.8092 62.3182 176.2490 31 I 3.6724 7.7237 122.2686 64.5473 36.9236 178.5339 32 S 4.5771 7.9443 115.9097 60.8197 62.4040 175.4338 33 H 4.5759 7.8805 117.5132 55.9136 29.1014 175.0411 34 A 4.4328 7.9281 124.2306 50.5666 20.0298 177.3694 35 G 4.1765 8.5482 106.5814 46.3134 0.0000 172.2995 36 T 4.9098 8.3818 116.4463 62.3583 70.4270 173.7155 37 A 5.0724 8.8919 127.9184 50.1676 22.1258 175.3177 38 I 4.8455 9.2513 122.8717 59.3260 41.5247 174.7802 39 G 4.3016 9.1968 113.4681 44.4041 0.0000 171.4051 40 I 4.7378 8.7715 126.6629 59.6159 40.1759 174.4713 41 M 4.5121 9.1486 128.7833 54.6228 32.6258 175.6063 42 A 4.7286 8.3218 131.8605 50.9506 21.4332 176.1107 43 S 4.4814 7.7940 110.0581 60.4703 63.4573 174.4229 44 D 4.9310 8.7146 119.5831 50.6896 39.8102 175.2248 45 G 3.7702 6.0478 107.1455 47.1186 0.0000 171.7392 46 I 5.1109 7.8989 119.6675 59.3069 41.6029 175.1075 47 V 4.7897 8.6686 124.3173 61.1163 35.0034 174.3115 48 L 5.1383 8.7934 125.8748 52.9566 45.5556 175.3957 49 A 4.6379 9.0162 124.3018 50.2502 23.0301 174.5630 50 A 4.9530 9.1546 120.7861 50.6647 23.0550 174.8898 51 E 4.7767 8.9920 122.8078 54.8645 31.1204 175.8643 52 R 4.1283 8.8964 127.0983 56.0288 30.9406 176.1600 53 K 4.1383 8.5271 123.2322 55.9972 33.6198 176.6365 54 V 3.0305 8.3221 118.8055 64.3203 29.5242 171.9138 55 T 4.5714 7.5504 117.8474 62.1725 71.7414 172.0121 56 S 4.4969 7.7484 113.6341 58.7301 64.8926 177.9369 57 T 4.0123 8.5699 118.7299 65.9048 68.2169 175.7039 58 L 4.2642 7.3904 121.4334 55.4766 42.5870 176.4709 59 L 3.9591 7.2328 119.6884 55.2113 42.3852 176.2813 60 E 4.2672 8.4930 126.9863 55.1385 28.5550 175.3967 61 Q 4.0841 8.4190 128.0469 58.4965 29.3277 176.6029 62 D 4.4787 8.0707 116.9551 57.9318 41.2002 178.0059 63 T 4.3676 7.5271 115.3944 64.2800 68.9331 174.7123 63A S 4.8239 7.5986 114.1610 57.2801 65.1349 174.0763 64 T 4.3755 7.8709 120.1903 62.9264 70.0017 172.7592 65 E 4.7663 8.3909 121.0325 54.5329 31.6501 177.3699 66 K 4.5851 8.6963 117.1175 55.5595 35.5755 175.6657 67 L 5.0877 7.8130 119.3801 53.0259 43.5478 175.6686 68 Y 4.9109 8.8667 121.1393 55.9164 42.2332 174.7536 69 K 4.3233 8.8769 124.0925 55.8011 33.2092 176.3088 70 L 4.3800 8.9405 126.7745 56.6392 42.6950 176.0925 71 N 4.8940 7.5733 114.1122 52.3022 41.6577 174.4698 72 D 4.5918 8.7781 121.1079 56.3800 41.0527 177.5409 73 K 4.6399 8.2374 116.4858 55.9231 34.0633 175.2329 74 I 5.1970 7.8819 120.0425 59.4437 41.0720 174.3712 75 A 5.2382 9.0209 126.7631 50.4513 23.1606 175.1705 76 V 5.0517 9.0805 111.6754 59.6173 36.5099 174.4976 77 A 5.2447 9.1143 125.3326 50.3424 21.3918 175.8824 78 V 4.6634 8.7132 121.6374 60.9465 34.3456 175.1745 79 A 4.3191 9.3959 128.0111 52.6511 21.5504 175.4478 80 G 3.7448 8.5262 111.4625 45.3899 0.0000 171.4055 81 L 4.0151 8.4604 123.8530 55.1984 41.8608 177.8061 82 T 3.8703 8.9173 121.4257 66.7170 68.5400 176.0434 83 A 3.9764 7.9862 121.7043 55.4789 18.3723 178.9164 84 D 4.5027 8.2798 116.4383 57.9779 40.9042 178.6699 85 A 3.9622 8.2811 121.1302 55.2365 18.3064 179.1533 86 E 3.7010 8.5328 116.2371 59.6898 29.7728 180.0992 87 I 3.6804 7.6413 118.9124 64.4990 37.2329 178.5016 88 L 3.8204 7.5230 119.7598 57.6423 41.4095 179.5563 89 I 3.5547 8.1696 120.1332 64.3162 36.9665 177.7528 90 N 4.2118 8.3927 118.3136 57.0824 38.9211 176.9828 91 T 3.8550 7.8041 109.9163 64.0706 68.6599 176.2713 92 A 3.8748 7.9133 124.4167 55.2726 18.5172 179.6124 93 R 4.0137 8.3653 117.0069 59.4585 30.1176 179.4206 94 I 3.6525 8.0254 119.6782 64.7445 37.1562 177.7196 95 H 4.1646 8.1420 118.6583 59.3534 29.5848 176.6642 96 A 3.9299 7.9400 122.2381 55.5439 18.1977 179.6049 97 Q 3.9776 8.0805 115.9678 59.0963 28.7545 178.7238 98 N 4.2864 8.6738 117.8281 56.6847 38.5750 176.5685 99 Y 4.0742 8.1501 120.6692 60.8071 38.8399 178.0551 100 L 4.3169 7.9895 122.3841 57.4090 41.9485 178.8850 101 K 3.8729 8.0200 118.7124 59.9010 32.2918 178.6201 102 T 3.7201 7.9247 114.8978 66.0213 68.9467 175.3107 103 Y 4.5015 7.9202 116.2403 56.4288 39.2643 176.1450 104 N 4.9185 8.8384 116.2578 53.8487 36.5886 173.7955 105 E 4.8317 7.6225 113.8507 54.5531 33.9094 174.9096 106 D 4.5901 8.6441 122.0668 54.1426 41.5296 176.4029 107 I 2.8014 8.0908 123.6430 59.8407 38.8005 173.8986 108 P 4.3184 0.0000 0.0000 62.1410 32.1606 177.0990 109 V 3.3909 8.7595 122.9755 66.4938 31.3570 178.2941 110 E 3.2341 7.9574 117.9443 58.9139 29.4651 178.7235 111 I 3.5532 7.5291 120.1106 63.8926 37.0758 178.0215 112 L 3.7668 7.4063 120.6386 58.0230 41.9898 178.7972 113 V 2.5503 7.0706 118.1143 65.7673 31.2537 177.8034 114 R 3.0290 7.5664 118.4266 59.0412 29.5403 178.4124 115 R 3.7003 7.4252 117.3244 59.3187 30.5410 177.9851 116 L 3.9926 7.6683 118.7984 57.9885 41.5505 179.6826 117 S 4.1708 7.8725 114.7441 61.9544 62.6037 176.5616 118 D 4.4266 7.8727 119.8966 57.3247 40.7573 178.9435 119 I 3.9590 7.6578 119.9463 64.3326 37.2038 178.1631 120 K 4.0416 8.1560 118.7702 59.9938 31.8916 178.5887 121 Q 4.1383 8.6349 119.9230 59.3773 28.7230 178.9676 122 G 3.7322 8.0934 106.4591 48.3715 0.0000 175.2230 123 Y 3.8745 8.1291 117.9167 60.5333 37.8481 178.8106 124 T 4.0786 8.0018 116.6020 66.0103 68.7124 175.7975 125 Q 4.2522 7.7368 119.3301 56.4779 30.1631 174.7874 126 H 4.8114 7.8916 113.0931 54.7850 31.7039 172.0619 127 G 3.9185 9.7455 112.8378 46.9855 0.0000 175.8384 128 G 3.9797 8.4163 107.1571 44.6639 0.0000 172.7389 129 L 4.7167 7.3935 118.1488 52.1569 43.7006 176.7669 130 R 4.0519 8.2406 118.1562 55.3739 30.0482 174.9517 131 P 4.4531 0.0000 0.0000 62.5179 32.1992 175.1312 132 F 4.5945 8.5195 117.9201 56.6842 40.2631 177.6892 133 G 4.0361 8.8861 115.5558 44.6975 0.0000 172.3093 134 V 4.9061 7.3747 120.1591 61.9852 35.0615 173.8181 135 S 4.8709 8.7724 121.1749 56.7862 67.1803 173.0676 136 F 5.0653 9.3640 121.2989 55.7008 43.1595 174.0774 137 I 5.0051 8.4043 121.6529 59.8716 40.3871 174.0007 138 Y 5.2316 9.5731 125.4138 56.3757 40.1544 174.5356 139 A 5.2006 9.0405 127.3180 50.3757 21.2420 175.7412 140 G 4.7802 9.3149 108.9989 45.3996 0.0000 170.6948 141 Y 5.4233 8.5973 120.1127 54.8355 42.2613 173.6893 142 D 4.5938 6.5980 121.7467 52.2484 42.1859 175.9618 143 D 4.3631 8.7128 118.8704 55.3946 39.7729 177.3663 144 R 3.9373 7.8951 119.5113 58.1201 30.5023 176.1996 144A Y 4.7725 7.9481 111.3876 56.5847 39.8789 177.7359 145 G 3.2968 7.7962 109.2385 46.1702 0.0000 172.9828 146 Y 4.7486 8.5490 120.3042 58.6722 38.7048 175.7508 147 Q 4.7167 9.6152 121.1784 54.5632 34.3549 173.5159 148 L 5.3619 8.0732 122.0104 54.0452 45.8763 174.6279 149 Y 5.5607 9.5212 122.4769 57.1164 43.2602 173.7542 150 T 6.1267 9.8300 113.8616 61.1015 71.4100 172.5361 151 S 6.1505 9.3083 121.1357 55.7801 67.1170 172.1921 152 N 5.4466 8.5874 117.6877 49.0793 40.7199 173.0702 153 P 4.5565 0.0000 0.0000 65.7925 31.4245 178.2393 154 S 4.1814 8.4198 111.9224 59.8381 63.0151 175.3195 155 G 4.0535 8.6935 109.3402 44.8521 0.0000 172.7633 156 N 5.0086 8.0831 118.6887 53.2462 40.3507 173.4437 157 Y 6.1466 8.5000 121.1538 55.5770 41.7054 173.6511 158 T 4.2951 8.6338 108.8523 61.0174 72.1653 172.0132 159 G 4.0753 8.0742 108.6358 44.0951 0.0000 172.0857 160 W 4.9021 8.6749 121.9625 54.6574 32.7684 175.4105 161 K 4.3730 8.6756 118.5703 58.2003 33.1946 176.8385 162 A 4.8237 7.5248 118.5565 51.0566 22.0499 175.1801 163 I 4.0766 8.9301 120.4672 61.4865 42.2132 172.6963 164 S 4.9580 7.9424 118.0062 57.6101 65.9529 173.2193 165 V 4.2790 8.9504 113.2518 59.8738 36.3769 175.1853 166 G 4.2896 9.0693 106.2901 45.8482 0.0000 174.3502 167 A 4.7714 8.6238 127.2115 52.2646 19.4032 176.7845 168 N 4.1278 8.7429 115.4681 54.1749 36.3331 176.2537 169 T 3.7240 7.4855 110.4726 64.7870 69.1739 175.0871 170 S 3.9854 8.0607 115.9743 60.8963 62.3271 175.7587 171 A 3.9239 8.1508 122.0442 55.5779 17.9311 179.1411 172 A 3.8798 8.1148 117.9147 55.2906 18.3108 179.6060 173 Q 3.8297 8.6216 118.2717 59.5958 29.1545 178.6509 174 T 3.9511 8.0433 116.7559 66.7278 68.6053 176.6526 175 L 4.0567 7.8520 120.8543 57.5350 41.4782 179.6734 176 L 3.9596 8.2092 119.4264 58.0044 41.4830 179.2281 177 Q 4.0060 8.3315 118.2629 59.2391 28.8489 178.2042 178 M 4.1842 7.6556 118.1195 58.4516 32.5791 177.1890 179 D 4.6991 7.7276 115.0292 53.5498 41.9019 176.0190 180 Y 4.3605 7.8778 122.4518 56.6903 39.7610 174.6915 181 K 4.3351 7.2282 124.6983 55.2557 35.5334 177.0850 182 D 4.2818 8.3646 123.6116 57.2614 40.9917 177.3993 183 D 4.7034 7.6939 115.9287 53.2600 39.2793 175.9312 184 M 4.1074 7.5416 120.7721 56.1750 32.6192 174.9793 185 K 4.9592 8.0073 118.1971 53.8409 36.8535 176.0255 186 V 3.5207 8.0329 122.8449 66.8882 31.2768 178.0647 187 D 4.5868 8.2772 117.5529 57.7788 40.6483 179.1151 188 D 4.3079 7.9462 118.3123 57.2936 41.1261 178.2793 189 A 4.1297 8.1113 121.3354 55.3584 18.2060 179.4168 190 I 3.8151 8.3382 118.5323 64.6767 37.2296 177.7005 191 E 3.8790 7.9900 119.5733 59.5895 29.4116 178.7079 192 L 3.9141 8.5454 119.8616 58.1769 42.1806 178.5201 193 A 3.9775 8.5702 120.8167 55.4093 18.2589 179.4895 194 L 4.0073 8.2900 117.1933 58.0977 41.7779 179.4874 195 K 3.8140 8.4117 118.5344 60.2076 31.8252 179.0183 196 T 3.8597 8.1344 114.8724 66.8072 68.7737 176.0665 197 L 4.1036 7.9225 120.5665 58.1425 41.4989 179.4730 198 S 4.0959 8.2037 111.6770 61.3239 62.3702 175.6583 199 K 4.3506 7.8780 117.9928 56.9331 32.5742 177.1977 200 T 4.3584 7.8380 108.6622 61.7857 69.9771 173.7795 *202 T 4.4355 7.4380 117.2632 64.1983 69.4519 173.1696 203 D 4.8218 8.5367 120.2973 54.2474 41.8674 176.2258 204 S 4.7614 7.4216 114.5783 56.2452 65.1205 173.4328 204A S 3.6939 7.6748 113.5542 61.8197 63.2009 174.4583 204B A 4.6075 7.2319 123.9386 50.4673 22.2301 175.7505 205 L 4.0964 8.4563 123.0027 55.3334 42.8066 176.6827 206 T 4.8464 8.1556 115.0916 59.5211 72.2741 173.9258 207 Y 4.2027 9.3996 122.3246 60.4948 37.5828 178.3018 208 D 4.0784 6.3072 116.6093 54.3330 39.3463 176.3884 209 R 4.5637 8.3073 118.5627 55.9261 31.8634 174.9913 210 L 5.3243 8.4014 119.0957 53.0472 45.1026 175.8071 211 E 4.8138 9.0962 119.5416 54.8818 33.6353 174.5643 212 F 4.9949 8.8039 124.8995 56.8561 42.9992 173.1288 213 A 5.3600 8.9745 124.7989 52.0151 22.8163 175.3020 214 T 5.1212 8.7671 109.7191 60.0432 72.7927 173.7516 215 I 4.6653 8.7935 122.8644 60.0037 39.9258 174.6816 216 R 4.9867 8.6528 125.2297 54.2289 33.2856 176.3511 216A K 4.4256 8.4493 123.7513 53.5109 31.7806 174.3284 216B G 4.1050 8.8031 111.2099 44.5461 0.0000 171.8372 217 A 3.8897 8.7983 127.7134 55.0289 18.7090 177.1637 218 N 4.7743 7.5172 116.2513 51.9172 39.1337 172.6886 218C D 4.9566 7.2564 121.0110 55.0722 45.5620 176.0534 218D G 4.3310 8.5808 99.9752 46.6541 0.0000 172.5776 218E E 4.2793 7.8560 119.3720 54.6369 30.9983 175.6949 218F V 3.6423 7.8643 124.2996 62.7196 32.2800 174.3821 216B Y 4.6950 8.5931 122.7099 57.3461 38.0530 172.8372 217 Q 3.9097 8.8783 123.7134 58.2289 29.0090 175.3637 218 K 4.3543 7.4072 117.9513 55.0172 33.3337 174.0886 218C I 4.4866 6.9164 120.5110 61.9722 43.2620 176.1534 218D F 4.9910 8.5508 111.4752 59.2541 45.6950 173.4776 218E K 4.2493 7.7260 119.5720 54.2369 34.1983 175.6949 218F P 3.9423 0.0000 0.0000 63.8196 31.4800 175.3821 227 Q 4.0704 8.2188 117.6111 59.5617 29.0107 178.0675 228 E 4.4799 8.2517 120.1336 58.8654 29.3243 179.5252 229 I 3.5738 7.7065 119.1896 64.2967 37.1374 177.8600 230 K 3.7742 8.1399 118.4633 59.8333 32.0975 177.9548 231 D 4.4157 8.3191 119.0760 57.6128 40.7956 178.7745 232 I 3.6866 8.2319 120.4898 64.2093 36.9911 178.3617 233 L 3.8769 8.0112 121.7254 57.8541 41.8698 179.0888 234 V 3.5321 7.6463 118.0855 65.9192 31.3041 178.0182 235 K 3.9124 7.9474 116.5318 59.7660 32.1136 178.9394 236 T 4.1022 7.4413 107.1823 62.9170 68.0019 175.2877 237 G 3.9388 8.1691 110.9955 45.7047 0.0000 175.3018 238 I 3.8346 7.6565 120.9126 61.8396 37.4858 176.3928 239 T 3.7393 7.1496 118.5097 64.0279 68.9402 171.6153 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 13 T 8.16 4.23 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 14 I 7.50 4.15 1.92 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.05 0.91 0.00 0.00 15 F 8.14 4.88 0.00 3.06 2.80 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 16 S 8.35 4.59 0.00 3.70 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 17 P 0.00 4.53 0.00 2.09 2.18 0.00 3.75 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 2.11 2.18 0.00 18 E 7.99 4.23 0.00 1.92 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 2.30 2.28 0.00 19 G 8.41 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 R 7.44 4.60 0.00 1.68 1.67 0.00 3.10 0.00 0.00 3.33 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 21 L 8.03 4.81 0.00 1.62 1.52 0.90 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 8.09 3.60 0.00 2.74 2.08 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 23 Q 8.04 3.98 0.00 2.03 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.92 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 24 V 7.58 3.58 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 1.21 0.00 0.00 0.93 0.00 0.00 25 E 8.20 4.00 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 26 Y 8.40 4.38 0.00 2.90 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.41 4.03 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 28 L 8.23 3.96 0.00 1.97 1.76 0.96 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 29 E 7.86 3.82 0.00 2.02 2.25 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 2.33 2.32 0.00 30 S 7.94 4.31 0.00 3.98 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 7.72 3.67 2.04 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 1.54 0.80 0.91 0.00 0.00 32 S 7.94 4.58 0.00 4.00 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 33 H 7.88 4.58 0.00 3.32 3.34 0.00 5.65 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 34 A 7.93 4.43 1.21 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 0.00 0.00 35 G 8.55 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 36 T 8.38 4.91 4.20 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 1.23 0.00 0.00 37 A 8.89 5.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 I 9.25 4.85 1.75 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 1.07 0.57 0.86 0.00 0.00 39 G 9.20 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 8.77 4.74 1.85 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 1.05 0.64 0.98 0.00 0.00 41 M 9.15 4.51 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.69 0.00 42 A 8.32 4.73 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 43 S 7.79 4.48 0.00 3.89 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.71 4.93 0.00 2.79 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 G 6.05 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 I 7.90 5.11 1.95 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.72 0.95 0.00 0.00 47 V 8.67 4.79 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 0.80 0.00 0.00 0.95 0.00 0.00 48 L 8.79 5.14 0.00 1.49 1.35 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 49 A 9.02 4.64 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 9.15 4.95 1.11 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 0.00 0.00 51 E 8.99 4.78 0.00 2.03 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 52 R 8.90 4.13 0.00 1.66 1.81 0.00 3.15 0.00 0.00 3.11 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.54 0.00 53 K 8.53 4.14 0.00 1.69 1.67 0.00 1.90 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.39 7.81 54 V 8.32 3.03 2.07 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 0.83 0.00 0.00 0.92 0.00 0.00 55 T 7.55 4.57 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 1.17 0.00 0.00 56 S 7.75 4.50 0.00 3.80 3.69 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 57 T 8.57 4.01 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 58 L 7.39 4.26 0.00 1.54 1.67 0.92 0.98 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 59 L 7.23 3.96 0.00 1.69 1.52 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.49 4.27 0.00 1.95 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 2.27 2.36 0.00 61 Q 8.42 4.08 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 62 D 8.07 4.48 0.00 2.71 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 T 7.53 4.37 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 63A S 7.60 4.82 0.00 4.02 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 64 T 7.87 4.38 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 0.90 0.00 0.00 65 E 8.39 4.77 0.00 2.05 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 2.11 2.20 0.00 66 K 8.70 4.59 0.00 1.74 1.76 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.35 7.81 67 L 7.81 5.09 0.00 1.35 1.49 0.84 0.68 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 68 Y 8.87 4.91 0.00 2.89 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 69 K 8.88 4.32 0.00 1.79 1.80 0.00 1.83 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.57 1.84 7.81 70 L 8.94 4.38 0.00 1.76 1.71 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 71 N 7.57 4.89 0.00 2.72 2.62 0.00 0.00 7.21 8.49 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 72 D 8.78 4.59 0.00 2.76 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 73 K 8.24 4.64 0.00 2.00 2.04 0.00 1.69 0.00 0.00 2.16 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.49 7.81 74 I 7.88 5.20 1.90 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.73 0.99 0.00 0.00 75 A 9.02 5.24 1.26 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 0.00 0.00 76 V 9.08 5.05 2.05 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 0.71 0.00 0.00 1.04 0.00 0.00 77 A 9.11 5.24 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 78 V 8.71 4.66 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 0.52 0.00 0.00 1.16 0.00 0.00 79 A 9.40 4.32 1.13 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 0.00 0.00 80 G 8.53 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 81 L 8.46 4.02 0.00 1.63 1.64 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 82 T 8.92 3.87 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 1.32 0.00 0.00 83 A 7.99 3.98 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 D 8.28 4.50 0.00 2.95 2.97 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 85 A 8.28 3.96 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 86 E 8.53 3.70 0.00 2.08 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 0.00 1.98 2.53 0.00 87 I 7.64 3.68 2.09 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 1.78 1.55 0.99 0.00 0.00 88 L 7.52 3.82 0.00 1.85 1.59 0.62 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.17 3.55 1.84 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 1.36 0.71 0.78 0.00 0.00 90 N 8.39 4.21 0.00 2.91 2.80 0.00 0.00 7.04 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 T 7.80 3.85 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 1.23 0.00 0.00 92 A 7.91 3.87 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 R 8.37 4.01 0.00 1.98 2.01 0.00 3.12 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.67 0.00 94 I 8.03 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 1.42 0.54 0.93 0.00 0.00 95 H 8.14 4.16 0.00 3.23 3.43 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.94 3.93 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 97 Q 8.08 3.98 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.70 0.00 0.00 0.00 0.00 0.00 2.60 2.57 0.00 98 N 8.67 4.29 0.00 2.87 2.91 0.00 0.00 6.68 7.47 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 99 Y 8.15 4.07 0.00 3.07 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 0.00 100 L 7.99 4.32 0.00 1.94 1.91 1.01 0.46 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 0.00 101 K 8.02 3.87 0.00 1.78 1.97 0.00 1.83 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.45 7.81 102 T 7.92 3.72 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 103 Y 7.92 4.50 0.00 2.53 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 0.00 104 N 8.84 4.92 0.00 2.84 2.97 0.00 0.00 6.73 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.62 4.83 0.00 2.18 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 2.27 2.47 0.00 106 D 8.64 4.59 0.00 2.70 2.63 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 0.00 0.00 0.00 0.00 107 I 8.09 2.80 1.51 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 -0.36 0.73 0.00 0.00 108 P 0.00 4.32 0.00 2.02 1.85 0.00 2.97 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.91 0.00 109 V 8.76 3.39 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.97 0.00 0.00 110 E 7.96 3.23 0.00 2.05 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 111 I 7.53 3.55 1.67 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 1.30 0.61 0.82 0.00 0.00 112 L 7.41 3.77 0.00 1.48 1.53 0.83 0.63 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 0.00 113 V 7.07 2.55 1.18 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 -0.38 0.00 0.00 114 R 7.57 3.03 0.00 1.53 1.81 0.00 3.09 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 115 R 7.43 3.70 0.00 1.72 1.89 0.00 3.24 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.49 0.00 116 L 7.67 3.99 0.00 1.70 1.60 0.63 0.46 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 0.00 117 S 7.87 4.17 0.00 3.92 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 0.00 118 D 7.87 4.43 0.00 2.76 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 0.00 119 I 7.66 3.96 2.01 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.93 1.03 0.00 0.00 120 K 8.16 4.04 0.00 2.11 2.01 0.00 1.81 0.00 0.00 2.03 0.00 0.00 3.04 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.58 1.49 7.81 121 Q 8.63 4.14 0.00 2.13 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 122 G 8.09 3.73 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 0.00 123 Y 8.13 3.87 0.00 3.30 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 0.00 124 T 8.00 4.08 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 1.17 0.00 0.00 125 Q 7.74 4.25 0.00 2.07 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.16 2.28 0.00 126 H 7.89 4.81 0.00 3.13 3.17 0.00 5.79 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 G 9.75 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 G 8.42 3.98 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 0.00 129 L 7.39 4.72 0.00 1.73 1.69 0.99 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 130 R 8.24 4.05 0.00 1.90 1.91 0.00 3.00 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.51 0.00 131 P 0.00 4.45 0.00 2.09 2.15 0.00 3.66 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 132 F 8.52 4.59 0.00 2.94 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 0.00 133 G 8.89 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 0.00 134 V 7.37 4.91 1.90 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 -0.07 0.00 0.00 0.89 0.00 0.00 135 S 8.77 4.87 0.00 3.66 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 0.00 136 F 9.36 5.07 0.00 2.55 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 0.00 0.00 0.00 137 I 8.40 5.01 1.84 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 1.18 0.62 0.94 0.00 0.00 138 Y 9.57 5.23 0.00 3.03 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 A 9.04 5.20 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 G 9.31 4.78 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 0.00 0.00 0.00 141 Y 8.60 5.42 0.00 2.76 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 0.00 142 D 6.60 4.59 0.00 2.66 2.58 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 0.00 143 D 8.71 4.36 0.00 2.78 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 0.00 144 R 7.90 3.94 0.00 1.56 1.86 0.00 2.96 0.00 0.00 2.95 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.14 0.00 144A Y 7.95 4.77 0.00 2.93 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 0.00 145 G 7.80 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 Y 8.55 4.75 0.00 3.04 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 0.00 147 Q 9.62 4.72 0.00 2.18 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.77 0.00 0.00 0.00 0.00 0.00 2.27 2.51 0.00 148 L 8.07 5.36 0.00 1.74 1.66 1.04 0.83 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 0.00 149 Y 9.52 5.56 0.00 3.14 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 0.00 150 T 9.83 6.13 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 1.68 0.00 0.00 151 S 9.31 6.15 0.00 4.14 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 N 8.59 5.45 0.00 2.86 3.00 0.00 0.00 6.70 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 P 0.00 4.56 0.00 2.11 2.27 0.00 3.72 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.41 0.00 154 S 8.42 4.18 0.00 4.03 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 0.00 155 G 8.69 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 0.00 0.00 0.00 0.00 156 N 8.08 5.01 0.00 2.92 2.78 0.00 0.00 6.66 7.58 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 0.00 157 Y 8.50 6.15 0.00 3.26 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 0.00 158 T 8.63 4.30 3.86 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 1.06 0.00 0.00 159 G 8.07 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 0.00 0.00 0.00 160 W 8.67 4.90 0.00 3.09 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 0.00 161 K 8.68 4.37 0.00 1.39 1.74 0.00 1.88 0.00 0.00 2.08 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.43 7.81 162 A 7.52 4.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 I 8.93 4.08 1.08 0.00 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.19 0.89 0.73 0.00 0.00 164 S 7.94 4.96 0.00 3.83 3.63 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 0.00 0.00 0.00 0.00 165 V 8.95 4.28 1.99 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 0.59 0.00 0.00 0.84 0.00 0.00 166 G 9.07 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 0.00 0.00 0.00 0.00 167 A 8.62 4.77 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 0.00 168 N 8.74 4.13 0.00 2.82 2.80 0.00 0.00 6.68 7.05 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 0.00 169 T 7.49 3.72 4.15 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 1.15 0.00 0.00 170 S 8.06 3.99 0.00 3.88 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 0.00 171 A 8.15 3.92 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 0.00 172 A 8.11 3.88 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 0.00 173 Q 8.62 3.83 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 174 T 8.04 3.95 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 1.21 0.00 0.00 175 L 7.85 4.06 0.00 1.80 1.72 0.91 0.70 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 0.00 176 L 8.21 3.96 0.00 1.80 1.67 0.80 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 177 Q 8.33 4.01 0.00 2.09 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.97 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 178 M 7.66 4.18 0.00 2.26 2.20 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.59 0.00 179 D 7.73 4.70 0.00 2.74 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 0.00 180 Y 7.88 4.36 0.00 2.97 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 K 7.23 4.34 0.00 1.74 1.70 0.00 1.52 0.00 0.00 1.75 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.22 1.24 7.81 182 D 8.36 4.28 0.00 2.64 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 D 7.69 4.70 0.00 2.73 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 0.00 184 M 7.54 4.11 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 185 K 8.01 4.96 0.00 1.71 1.72 0.00 1.81 0.00 0.00 1.77 0.00 0.00 3.15 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.41 7.81 186 V 8.03 3.52 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 0.96 0.00 0.00 0.90 0.00 0.00 187 D 8.28 4.59 0.00 2.82 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 D 7.95 4.31 0.00 2.89 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 A 8.11 4.13 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 0.00 190 I 8.34 3.82 2.11 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.92 0.77 0.00 0.00 191 E 7.99 3.88 0.00 2.08 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 2.33 2.35 0.00 192 L 8.55 3.91 0.00 1.87 1.86 1.05 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 193 A 8.57 3.98 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 0.00 194 L 8.29 4.01 0.00 1.87 1.73 0.68 1.27 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 0.00 195 K 8.41 3.81 0.00 1.97 1.89 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.65 1.67 7.81 196 T 8.13 3.86 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 1.19 0.00 0.00 197 L 7.92 4.10 0.00 1.89 1.74 0.95 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 198 S 8.20 4.10 0.00 3.93 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 K 7.88 4.35 0.00 1.78 1.83 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.43 7.81 200 T 7.84 4.36 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 1.26 0.00 0.00 *202 T 7.44 4.44 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 1.29 0.00 0.00 203 D 8.54 4.82 0.00 2.62 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 S 7.42 4.76 0.00 3.81 3.75 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 204A S 7.67 3.69 0.00 3.85 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 204B A 7.23 4.61 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 0.00 0.00 0.00 0.00 0.00 205 L 8.46 4.10 0.00 1.60 1.61 0.92 0.92 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 0.00 206 T 8.16 4.85 4.40 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 1.28 0.00 0.00 207 Y 9.40 4.20 0.00 3.19 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 0.00 208 D 6.31 4.08 0.00 2.43 1.81 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 0.00 209 R 8.31 4.56 0.00 1.81 1.89 0.00 3.03 0.00 0.00 3.13 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.46 0.00 210 L 8.40 5.32 0.00 1.63 1.64 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 211 E 9.10 4.81 0.00 1.93 1.74 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 2.19 2.22 0.00 212 F 8.80 4.99 0.00 2.85 2.54 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 0.00 213 A 8.97 5.36 1.23 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 0.00 0.00 214 T 8.77 5.12 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 1.42 0.00 0.00 215 I 8.79 4.67 2.04 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.09 1.13 0.00 0.00 216 R 8.65 4.99 0.00 1.70 1.88 0.00 3.20 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 216A K 8.45 4.43 0.00 1.62 1.78 0.00 1.24 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.28 1.15 7.81 216B G 8.80 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 0.00 0.00 0.00 0.00 217 A 8.80 3.89 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 0.00 218 N 7.52 4.77 0.00 2.66 2.76 0.00 0.00 6.58 8.37 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 218C D 7.26 4.96 0.00 2.65 2.37 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 218D G 8.58 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 0.00 0.00 0.00 0.00 218E E 7.86 4.28 0.00 1.93 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 2.26 2.29 0.00 218F V 7.86 3.64 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 0.96 0.00 0.00 0.13 0.00 0.00 216B Y 8.59 4.70 0.00 2.84 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 Q 8.88 3.91 0.00 1.91 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.59 0.00 0.00 0.00 0.00 0.00 2.33 2.27 0.00 218 K 7.41 4.35 0.00 1.67 1.76 0.00 0.61 0.00 0.00 1.57 0.00 0.00 2.13 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.37 7.81 218C I 6.92 4.49 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.57 0.91 0.00 0.00 218D F 8.55 4.99 0.00 2.88 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 218E K 7.73 4.25 0.00 1.71 1.63 0.00 0.61 0.00 0.00 1.63 0.00 0.00 2.13 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.42 7.81 218F P 0.00 3.94 0.00 2.22 1.66 0.00 3.08 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 2.08 1.57 0.00 227 Q 8.22 4.07 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.73 0.00 228 E 8.25 4.48 0.00 2.33 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.29 0.00 229 I 7.71 3.57 2.16 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 1.57 1.04 0.91 0.00 0.00 230 K 8.14 3.77 0.00 1.43 1.88 0.00 1.00 0.00 0.00 1.40 0.00 0.00 2.77 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.22 1.14 7.81 231 D 8.32 4.42 0.00 2.90 2.68 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 0.00 232 I 8.23 3.69 1.90 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 1.22 1.14 0.38 0.00 0.00 233 L 8.01 3.88 0.00 1.93 1.66 0.84 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 234 V 7.65 3.53 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.92 0.00 0.00 235 K 7.95 3.91 0.00 1.73 1.85 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.67 1.44 7.81 236 T 7.44 4.10 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 1.17 0.00 0.00 237 G 8.17 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 238 I 7.66 3.83 1.86 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 1.29 0.56 0.91 0.00 0.00 239 T 7.15 3.74 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 1.20 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.