NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.2774 8.0276 120.6337 54.9882 43.0377 175.6103 4 T 3.4056 8.3894 106.2650 59.6744 68.0262 171.3411 5 R 4.3682 6.4201 116.7710 58.1973 35.6731 174.8754 6 T 4.2520 8.3276 108.1756 62.0872 69.7271 173.4541 7 Q 4.6021 8.0776 119.3352 53.6015 32.0430 172.5182 8 P 4.4887 0.0000 0.0000 63.0766 32.4141 175.2084 9 V 4.5416 8.3288 124.0646 60.9435 34.7012 174.1722 10 E 4.4927 9.5607 130.0341 55.1470 30.6417 174.6254 11 L 4.9906 8.4558 128.2149 54.1211 43.2317 176.5520 12 V 5.0205 8.8383 116.7145 59.9697 36.5367 175.1244 13 T 5.1482 8.4294 113.2198 59.4550 72.0356 171.8367 *15 V 4.9206 7.9028 118.4817 63.2245 32.2935 174.4295 *17 V 4.1451 8.0191 116.2125 63.4575 32.8985 175.5297 18 T 5.2347 8.9111 124.5132 61.9020 71.2972 173.1253 19 D 4.9125 9.2830 127.2842 52.6465 41.2944 175.3036 20 P 3.9964 0.0000 0.0000 65.0983 31.4638 177.2710 21 E 4.1864 8.0828 118.2891 57.9128 29.6904 177.2009 22 T 4.3843 7.2765 105.2005 60.0238 70.2650 174.7727 23 Q 3.7981 8.9567 120.1441 56.1279 27.1762 173.6260 24 R 4.5491 7.6350 117.3486 56.1194 31.8013 175.8378 25 V 5.2349 8.9501 114.3236 59.6946 35.1195 174.6887 26 L 4.1527 8.5519 126.1762 54.2617 42.5785 176.3631 27 V 4.3956 8.1077 118.6921 59.1798 36.2543 174.7023 28 E 4.3439 9.3143 124.0934 56.1440 30.3375 176.3558 29 D 4.9303 8.9223 123.9740 52.4793 40.2907 174.2627 30 K 4.5500 7.7322 119.7987 54.0930 35.1582 177.0354 31 V 3.7674 7.9228 113.6785 61.5025 32.1470 174.9618 32 N 4.0888 7.6712 118.8606 53.0673 41.4699 174.4298 33 V 3.3449 7.1409 113.6817 60.1595 31.9894 175.6503 34 P 4.0681 0.0000 0.0000 65.5972 31.1559 177.5272 35 W 4.6769 7.2036 111.5457 56.8440 28.3497 176.4572 36 K 4.5023 7.7905 116.4222 55.7685 33.7212 176.6559 37 A 4.0015 7.9067 121.8864 51.1909 18.8770 176.2901 38 G 4.2646 8.2177 112.7290 44.4280 0.0000 172.3952 39 H 4.6796 8.2207 120.7615 56.1323 29.9800 174.6911 40 S 4.8475 8.3323 114.2470 57.3261 66.5349 173.2746 41 F 4.8905 8.6697 120.3580 55.6706 40.0268 174.0428 42 P 4.7039 0.0000 0.0000 62.2586 31.6847 175.6655 43 G 4.2864 7.6104 110.0589 46.8269 0.0000 171.8173 44 G 4.2353 7.3737 105.5010 46.2110 0.0000 171.8464 45 H 5.1247 8.9339 117.0682 55.1563 29.8878 175.5839 46 V 3.9998 8.3247 123.3087 62.2788 32.1712 176.0190 47 E 4.2602 9.4975 127.8866 55.7083 30.1777 176.6188 48 V 3.8352 8.0620 121.0026 64.2407 32.0974 176.7289 49 G 3.9982 8.8843 114.1692 45.3239 0.0000 172.7661 50 E 4.4884 7.7777 121.4179 53.8460 30.8857 173.6738 51 P 4.4771 0.0000 0.0000 62.5485 33.4703 177.2132 52 C 4.1982 8.6986 118.5920 63.1878 28.2664 176.4810 53 A 3.5008 8.0467 121.7778 55.1623 17.9561 179.6536 54 T 3.7662 7.8508 113.7189 66.7033 68.5037 176.5287 55 A 4.3194 8.3806 123.8693 54.5039 18.3682 179.5719 56 A 3.8661 7.8043 119.2809 55.3660 18.4285 179.9609 57 I 3.6275 7.6182 118.3622 64.3379 37.1484 178.6823 58 R 3.9598 8.1429 119.6091 59.4059 29.9412 178.0303 59 E 3.9018 8.4009 119.3709 59.3891 29.5267 178.9370 60 V 3.5129 7.7840 118.1238 65.8567 31.5270 177.7137 61 F 4.5996 8.1529 121.5891 61.0902 39.0948 177.0219 62 E 3.5121 8.4439 117.0382 58.9778 29.2672 178.5826 63 E 4.2107 8.1511 117.6294 57.6701 30.2440 177.7489 64 T 4.3620 8.4306 108.6360 60.7313 70.3021 176.0075 65 G 3.8509 8.0399 109.5523 44.7961 0.0000 173.6650 66 L 4.2459 7.7616 120.4909 54.8859 43.1742 176.6773 67 R 4.7760 9.1530 122.9533 54.4222 31.3498 174.9644 68 L 4.9372 8.3907 124.4922 54.4495 41.9548 177.8812 69 S 4.2480 9.0503 118.3868 59.0217 63.5210 174.0382 70 G 4.0194 6.9570 109.3753 45.8063 0.0000 171.6702 71 V 4.7804 7.9537 111.1280 59.8128 35.8303 175.4268 72 T 4.8095 8.7839 119.5155 61.5783 71.2167 173.6778 73 F 4.0719 9.1698 128.7284 58.7470 39.6676 174.0754 74 C 4.5750 8.6292 123.1307 59.5295 30.5132 174.3233 75 G 3.9577 5.9997 103.9164 45.9774 0.0000 170.5741 76 T 5.1330 7.7471 108.1661 60.0796 72.8173 172.7820 77 C 5.0383 8.6902 119.4160 57.9221 32.0784 172.9885 78 E 4.8754 8.3509 121.9852 54.1292 33.0454 174.9232 79 W 5.1981 8.5719 122.3737 54.8342 32.7321 174.4273 80 F 5.3558 8.9026 121.8191 55.8266 42.3588 175.4739 81 D 5.1170 8.9077 121.3688 52.4851 41.5649 175.6459 82 D 4.5760 8.7167 117.8949 57.8621 40.8582 177.8127 83 D 4.4214 8.5816 118.5820 55.1586 39.8816 177.7004 84 R 4.2928 8.2810 115.8848 57.1315 28.3080 177.9149 85 Q 4.3002 7.8418 116.5875 58.1540 28.8815 175.1557 86 H 5.4899 7.6447 110.1959 54.3183 32.3764 172.4209 87 R 4.8454 8.6530 112.5662 54.9511 33.4221 173.5881 88 K 4.8838 8.4490 121.5941 54.5862 34.5570 174.3912 89 L 4.9410 9.2059 130.6375 53.4154 44.3159 174.9555 90 G 4.4906 9.3102 115.2307 44.7600 0.0000 171.6657 91 L 4.7771 8.9515 126.3903 53.1422 43.7011 175.4364 92 L 4.5328 7.7481 124.7305 53.3187 43.5867 175.5641 93 Y 5.3009 8.6945 120.2754 56.0611 42.3689 174.4514 94 R 5.0150 8.9788 116.5757 54.9178 33.4035 174.0290 95 A 5.0267 8.1488 119.4517 51.4812 22.3224 176.9565 96 S 5.1289 8.8632 111.3611 56.4904 65.1218 173.0566 97 N 4.8949 8.1412 121.3922 52.3851 40.3550 173.0756 98 F 5.4521 7.8115 120.0635 56.3563 41.1876 172.5875 99 T 4.6598 9.1174 109.1396 60.5931 72.5215 174.1536 100 G 4.3119 9.3743 108.2750 45.5769 0.0000 172.1357 101 T 4.9108 7.8472 113.6454 60.9607 72.4714 174.1407 102 L 4.2282 8.5982 122.4661 54.9400 42.2252 177.8799 103 K 3.9720 8.6768 122.4775 56.4410 32.4745 178.2953 104 A 4.2031 8.4555 125.3542 54.6116 18.4993 178.8094 105 S 4.2161 8.0217 110.1898 60.4989 63.4906 174.1922 106 A 5.0482 7.6325 121.8613 49.5732 18.2308 174.8526 107 E 4.0573 7.3998 125.8508 57.4589 30.9519 177.2404 108 G 4.1341 7.6721 108.3529 46.4569 0.0000 173.9240 109 Q 4.5697 8.0620 119.8696 55.2320 32.1345 175.6713 110 L 5.0352 7.5046 116.5458 52.9091 45.1361 176.5601 111 S 4.6446 8.6176 117.4470 56.6728 67.7602 172.9553 112 W 5.1838 8.7816 123.1062 55.6398 30.0288 175.7544 113 L 5.0796 9.0288 124.4552 51.9636 45.9526 174.7386 114 P 4.7334 0.0000 0.0000 62.5222 32.3490 177.4727 115 I 3.7953 8.5409 121.2598 64.8193 37.2034 178.5190 116 T 3.9167 7.9444 108.7156 63.9839 68.5939 174.9521 117 A 4.1378 7.8980 124.3113 53.6831 18.7431 177.2118 118 L 4.4276 7.7799 117.2099 53.8817 42.4328 176.2923 119 T 4.7721 8.9100 113.2629 59.2301 71.8353 175.0189 120 R 4.0343 8.5585 122.0331 59.4320 30.3620 177.7348 121 E 4.1158 8.2910 116.8702 58.6955 29.7807 176.9951 122 N 4.9087 8.3228 114.2936 52.5746 38.5461 174.6552 123 S 5.3730 7.5882 112.9899 56.4452 66.9532 173.5443 124 A 4.3358 9.2411 123.2673 51.4415 19.6453 177.1321 125 A 4.0433 8.5992 121.7129 54.2753 18.8701 178.1441 126 S 4.2639 8.8657 115.6598 59.0036 60.7258 173.0646 127 L 4.3624 7.7014 124.3260 57.8844 41.8083 177.2938 128 P 4.3037 0.0000 0.0000 65.6178 31.1571 178.3879 129 E 3.9146 7.8438 116.9343 59.3176 29.3526 179.1903 130 F 4.2954 7.6590 117.8885 60.5498 38.9259 177.6481 131 L 4.3074 8.4572 118.8339 58.0260 41.4407 179.4935 132 Q 4.1319 7.8776 118.9230 58.3087 28.4731 179.2765 133 V 4.1176 7.2717 120.6163 65.4599 31.3755 178.1788 134 F 4.3291 7.9825 116.9305 60.7044 38.7970 176.6266 135 T 4.0884 8.3635 109.0892 62.5239 69.0186 175.6267 136 G 3.9783 7.8900 110.8422 45.6492 0.0000 174.5829 137 T 4.0116 8.1165 111.2952 63.4800 69.5409 174.1278 138 A 4.6495 7.5449 123.4836 50.8625 22.5340 175.8046 139 S 4.7508 8.3011 109.5644 58.3252 66.7048 173.7263 140 T 4.8798 7.8679 110.7353 60.3427 70.6218 172.3300 141 L 5.1544 8.6208 127.7403 53.1780 45.0545 175.8508 142 V 4.7360 8.7700 120.9634 61.2861 35.6822 173.7478 143 S 5.0446 8.7881 120.7115 55.3546 65.3250 173.7369 144 D 5.1325 8.8687 125.8485 54.2272 40.9634 176.1027 145 S 5.0290 8.0021 113.2751 56.1491 65.9048 174.9090 146 W 4.3343 9.1733 132.5495 59.8894 30.5074 176.6067 147 N 4.9696 8.0953 111.8817 53.7176 38.1420 175.0860 148 G 4.5494 7.9601 108.3430 44.8906 0.0000 172.8759 149 N 4.6180 8.5615 116.2648 53.0442 39.8813 174.5890 150 L 4.3739 8.3761 123.5035 54.0464 42.7505 176.2920 151 R 4.7101 8.5842 122.4106 53.6749 34.2423 174.9980 152 I 4.0738 8.2019 121.3947 61.3525 38.8260 174.8704 153 D 4.7071 9.0549 130.3781 52.8438 41.3912 175.5983 154 E 4.6001 8.8538 125.7010 55.9874 30.0736 177.0239 155 G 3.9385 8.5031 106.7552 46.4220 0.0000 173.9032 156 H 4.4143 7.9715 117.2346 55.5486 29.2972 173.9702 157 H 4.4118 8.0865 122.0111 56.0134 33.0436 173.6705 158 H 4.4824 7.4916 120.1362 54.5547 26.9653 176.3554 159 H 4.2197 7.9123 117.6637 58.9488 29.2097 176.7164 160 H 4.5726 8.2031 112.0837 56.4524 28.8644 174.9238 161 H 4.5029 7.8612 123.1668 56.2949 28.5816 174.9093 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 3 L 8.03 4.28 0.00 1.75 1.70 0.94 0.43 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 4 T 8.39 3.41 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 5 R 6.42 4.37 0.00 2.06 1.99 0.00 3.08 0.00 0.00 3.29 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.33 0.00 6 T 8.33 4.25 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 1.23 0.00 0.00 7 Q 8.08 4.60 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.00 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 8 P 0.00 4.49 0.00 2.22 2.30 0.00 3.71 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.04 0.00 9 V 8.33 4.54 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 0.85 0.00 0.00 1.04 0.00 0.00 10 E 9.56 4.49 0.00 2.31 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 11 L 8.46 4.99 0.00 1.70 1.64 0.98 0.92 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 12 V 8.84 5.02 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 0.48 0.00 0.00 0.90 0.00 0.00 13 T 8.43 5.15 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 *15 V 7.90 4.92 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 1.07 0.00 0.00 0.98 0.00 0.00 *17 V 8.02 4.15 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 1.06 0.00 0.00 0.83 0.00 0.00 18 T 8.91 5.23 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 1.33 0.00 0.00 19 D 9.28 4.91 0.00 1.58 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.00 0.00 2.15 2.13 0.00 3.71 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.95 0.00 21 E 8.08 4.19 0.00 1.95 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.09 0.00 22 T 7.28 4.38 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 23 Q 8.96 3.80 0.00 2.21 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.99 0.00 0.00 0.00 0.00 0.00 2.26 2.46 0.00 24 R 7.63 4.55 0.00 1.94 2.27 0.00 3.13 0.00 0.00 3.36 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.62 0.00 25 V 8.95 5.23 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 0.79 0.00 0.00 1.19 0.00 0.00 26 L 8.55 4.15 0.00 0.27 1.11 -0.14 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.11 4.40 1.76 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 0.11 0.00 0.00 0.76 0.00 0.00 28 E 9.31 4.34 0.00 1.91 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 0.00 2.22 2.15 0.00 29 D 8.92 4.93 0.00 2.52 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 30 K 7.73 4.55 0.00 1.69 1.63 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.74 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.40 7.81 31 V 7.92 3.77 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 0.61 0.00 0.00 0.87 0.00 0.00 32 N 7.67 4.09 0.00 2.50 2.47 0.00 0.00 7.05 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 33 V 7.14 3.34 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 -0.03 0.00 0.00 34 P 0.00 4.07 0.00 2.23 2.17 0.00 2.56 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 35 W 7.20 4.68 0.00 3.39 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 36 K 7.79 4.50 0.00 1.60 1.75 0.00 1.62 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.42 1.39 7.81 37 A 7.91 4.00 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 0.00 0.00 0.00 38 G 8.22 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 0.00 0.00 0.00 39 H 8.22 4.68 0.00 2.98 3.02 0.00 5.64 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.33 4.85 0.00 3.85 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 41 F 8.67 4.89 0.00 2.99 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 4.70 0.00 2.03 1.99 0.00 3.71 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.73 0.00 43 G 7.61 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 44 G 7.37 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 0.00 0.00 0.00 0.00 45 H 8.93 5.12 0.00 3.04 3.29 0.00 5.89 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.32 4.00 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 0.79 0.00 0.00 1.04 0.00 0.00 47 E 9.50 4.26 0.00 2.10 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 2.46 2.41 0.00 48 V 8.06 3.84 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 0.79 0.00 0.00 0.96 0.00 0.00 49 G 8.88 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 50 E 7.78 4.49 0.00 2.06 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 2.25 2.27 0.00 51 P 0.00 4.48 0.00 2.21 1.98 0.00 3.67 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 52 C 8.70 4.20 0.00 3.17 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 53 A 8.05 3.50 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 54 T 7.85 3.77 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 55 A 8.38 4.32 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 7.80 3.87 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 57 I 7.62 3.63 1.96 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 1.35 0.73 0.89 0.00 0.00 58 R 8.14 3.96 0.00 1.91 2.12 0.00 3.27 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.74 0.00 59 E 8.40 3.90 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 60 V 7.78 3.51 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 0.96 0.00 0.00 0.90 0.00 0.00 61 F 8.15 4.60 0.00 3.15 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 62 E 8.44 3.51 0.00 1.87 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 0.00 2.35 2.70 0.00 63 E 8.15 4.21 0.00 1.92 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 2.40 2.52 0.00 64 T 8.43 4.36 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 1.05 0.00 0.00 65 G 8.04 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 66 L 7.76 4.25 0.00 1.49 1.36 0.37 0.89 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 67 R 9.15 4.78 0.00 1.81 1.86 0.00 3.17 0.00 0.00 3.12 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.87 0.00 68 L 8.39 4.94 0.00 1.56 1.81 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 69 S 9.05 4.25 0.00 4.01 4.01 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 0.00 0.00 0.00 70 G 6.96 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 V 7.95 4.78 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 0.66 0.00 0.00 0.70 0.00 0.00 72 T 8.78 4.81 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 1.31 0.00 0.00 73 F 9.17 4.07 0.00 3.11 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 C 8.63 4.57 0.00 2.74 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 G 6.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 T 7.75 5.13 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 1.36 0.00 0.00 77 C 8.69 5.04 0.00 2.48 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 78 E 8.35 4.88 0.00 1.69 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 2.04 2.09 0.00 79 W 8.57 5.20 0.00 2.46 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 80 F 8.90 5.36 0.00 3.03 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 81 D 8.91 5.12 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 82 D 8.72 4.58 0.00 2.72 2.82 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 83 D 8.58 4.42 0.00 2.97 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 84 R 8.28 4.29 0.00 2.07 1.99 0.00 3.06 0.00 0.00 3.10 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 85 Q 7.84 4.30 0.00 2.21 2.25 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 2.58 2.49 0.00 86 H 7.64 5.49 0.00 3.18 3.32 0.00 5.75 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 R 8.65 4.85 0.00 1.21 1.82 0.00 2.70 0.00 0.00 3.01 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.47 0.00 88 K 8.45 4.88 0.00 0.79 1.09 0.00 0.92 0.00 0.00 0.61 0.00 0.00 2.20 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.22 1.22 7.81 89 L 9.21 4.94 0.00 1.72 1.53 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 90 G 9.31 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 0.00 0.00 0.00 0.00 91 L 8.95 4.78 0.00 1.71 1.26 1.10 0.62 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 92 L 7.75 4.53 0.00 1.19 0.86 0.64 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 93 Y 8.69 5.30 0.00 2.79 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 94 R 8.98 5.02 0.00 1.81 2.03 0.00 2.85 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.61 0.00 95 A 8.15 5.03 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 S 8.86 5.13 0.00 3.99 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 97 N 8.14 4.89 0.00 2.78 2.76 0.00 0.00 6.70 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 98 F 7.81 5.45 0.00 3.13 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 99 T 9.12 4.66 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 1.22 0.00 0.00 100 G 9.37 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 0.00 0.00 0.00 0.00 101 T 7.85 4.91 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 1.32 0.00 0.00 102 L 8.60 4.23 0.00 1.68 1.60 0.83 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 103 K 8.68 3.97 0.00 1.75 1.67 0.00 1.50 0.00 0.00 1.65 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.51 7.81 104 A 8.46 4.20 1.28 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 0.00 0.00 105 S 8.02 4.22 0.00 3.81 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 0.00 106 A 7.63 5.05 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 0.00 107 E 7.40 4.06 0.00 2.04 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 2.37 2.37 0.00 108 G 7.67 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 Q 8.06 4.57 0.00 1.81 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.66 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 110 L 7.50 5.04 0.00 1.57 1.27 0.79 0.67 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 0.00 111 S 8.62 4.64 0.00 3.65 3.66 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 0.00 0.00 0.00 0.00 112 W 8.78 5.18 0.00 3.16 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 0.00 113 L 9.03 5.08 0.00 1.50 1.48 0.71 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 114 P 0.00 4.73 0.00 2.25 2.21 0.00 3.74 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.01 0.00 115 I 8.54 3.80 1.94 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.68 1.01 0.00 0.00 116 T 7.94 3.92 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 1.24 0.00 0.00 117 A 7.90 4.14 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 0.00 118 L 7.78 4.43 0.00 1.80 1.66 0.97 0.45 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 0.00 119 T 8.91 4.77 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 120 R 8.56 4.03 0.00 1.80 2.01 0.00 3.24 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 121 E 8.29 4.12 0.00 1.99 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 2.32 2.37 0.00 122 N 8.32 4.91 0.00 2.80 3.01 0.00 0.00 6.72 7.72 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 0.00 123 S 7.59 5.37 0.00 3.89 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 0.00 124 A 9.24 4.34 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.60 4.04 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 0.00 126 S 8.87 4.26 0.00 3.74 3.34 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 0.00 127 L 7.70 4.36 0.00 2.04 1.78 0.98 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 4.30 0.00 2.16 2.09 0.00 3.51 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 129 E 7.84 3.91 0.00 1.83 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 130 F 7.66 4.30 0.00 3.44 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 0.00 131 L 8.46 4.31 0.00 2.05 1.85 1.08 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 132 Q 7.88 4.13 0.00 2.31 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 133 V 7.27 4.12 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 1.12 0.00 0.00 0.84 0.00 0.00 134 F 7.98 4.33 0.00 2.97 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 0.00 135 T 8.36 4.09 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 1.33 0.00 0.00 136 G 7.89 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 0.00 137 T 8.12 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 1.22 0.00 0.00 138 A 7.54 4.65 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 0.00 0.00 0.00 139 S 8.30 4.75 0.00 3.97 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 T 7.87 4.88 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 1.19 0.00 0.00 141 L 8.62 5.15 0.00 1.38 1.39 0.84 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 142 V 8.77 4.74 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 1.16 0.00 0.00 0.94 0.00 0.00 143 S 8.79 5.04 0.00 3.82 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 0.00 144 D 8.87 5.13 0.00 2.77 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 0.00 0.00 0.00 0.00 0.00 145 S 8.00 5.03 0.00 4.05 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 W 9.17 4.33 0.00 3.45 3.21 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 0.00 147 N 8.10 4.97 0.00 2.86 2.89 0.00 0.00 6.06 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 G 7.96 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 N 8.56 4.62 0.00 2.66 2.73 0.00 0.00 6.84 6.74 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 0.00 150 L 8.38 4.37 0.00 1.36 1.40 0.76 0.07 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 0.00 151 R 8.58 4.71 0.00 1.64 1.73 0.00 3.25 0.00 0.00 3.07 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.64 0.00 152 I 8.20 4.07 1.83 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 1.20 0.71 0.88 0.00 0.00 153 D 9.05 4.71 0.00 2.64 2.62 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 0.00 154 E 8.85 4.60 0.00 2.10 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 2.15 2.33 0.00 155 G 8.50 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 0.00 156 H 7.97 4.41 0.00 3.10 3.26 0.00 5.94 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 H 8.09 4.41 0.00 2.87 2.66 0.00 5.72 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 H 7.49 4.48 0.00 2.84 2.46 0.00 5.69 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 H 7.91 4.22 0.00 3.14 3.40 0.00 5.89 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 H 8.20 4.57 0.00 3.28 3.42 0.00 5.71 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 0.00 161 H 7.86 4.50 0.00 3.16 3.16 0.00 5.70 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.