NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.4890 8.2993 122.0461 55.9908 33.9322 175.2897 4 F 5.0330 7.3732 111.2031 55.4014 40.8091 171.5360 5 K 4.6022 10.3925 120.1470 54.7422 36.3929 176.6011 6 I 5.6590 8.8594 125.3997 59.1261 38.7588 174.7909 7 R 4.8514 8.3528 122.6143 53.4832 33.5729 172.6709 8 P 5.0329 0.0000 0.0000 62.4481 32.1186 176.5064 9 A 4.8501 8.6303 124.3413 51.8412 20.0345 176.4265 10 T 4.4765 8.3331 108.2263 58.7094 72.1776 175.0807 11 A 3.0737 7.4992 122.6590 54.8174 17.8914 179.7759 12 S 4.1194 7.2654 110.2517 60.9657 63.4235 175.6946 13 D 4.5289 7.9608 121.9786 55.9330 40.6848 177.9066 14 C 4.1290 7.7862 118.0389 62.8554 28.0991 176.0455 15 S 4.0944 7.9979 115.2489 61.6470 62.4266 176.3118 16 D 4.2288 7.9220 122.0028 56.8499 40.6163 178.4057 17 I 3.2279 7.6768 120.3186 64.3648 37.1455 178.1667 18 L 3.8016 8.0844 121.2478 57.9494 41.7886 178.9810 19 R 3.7903 7.5942 118.1787 59.5431 29.9975 178.6272 20 L 4.1062 8.0586 119.0298 57.6175 41.5398 179.4522 21 I 3.7238 7.6717 120.0519 64.4807 36.9741 178.6046 22 K 3.9772 7.9554 119.1507 59.4598 31.9914 179.3035 23 E 3.9108 8.0792 118.9258 59.3702 29.1064 179.4377 24 L 3.5584 7.6510 118.3365 57.2664 41.7649 179.0980 25 A 4.1340 7.7716 121.0157 55.0100 18.2963 179.7280 26 K 4.0263 8.3216 117.3247 59.5084 31.8191 178.5358 27 Y 3.8278 7.1730 118.3561 60.7251 38.5542 177.0391 28 E 4.2357 8.1910 114.9113 55.5705 29.7910 175.5013 29 Y 4.4955 7.6865 115.0057 58.9650 36.2926 170.2644 30 M 4.9772 8.1471 113.7269 54.8385 33.5001 178.0087 31 E 3.9913 8.3079 120.9559 59.5634 30.1876 179.3499 32 D 4.5944 8.0080 115.4631 54.9524 39.6227 176.7669 33 Q 4.0721 7.5985 118.3642 57.1081 29.0892 176.2587 34 V 3.9342 7.5193 118.4962 61.9227 30.2668 175.2293 35 I 4.2769 7.9361 119.7518 60.4798 38.6801 176.4800 36 L 4.2586 7.7612 121.3452 55.1311 42.2086 176.2925 37 T 4.6725 8.2194 111.2679 59.4089 72.8564 174.8698 38 E 3.9495 8.5055 120.1377 59.1807 29.5130 178.5564 39 K 3.9469 8.0050 118.0492 59.6127 32.2307 178.3747 40 D 4.4202 8.0250 119.0266 57.8922 40.9289 179.3304 41 L 4.2944 8.0591 118.8547 57.9208 41.4978 179.8586 42 Q 4.2174 8.3229 118.0664 59.0455 28.7483 178.5622 43 E 4.0188 8.6366 119.8767 59.7738 29.6189 179.2065 44 D 4.6400 8.8501 119.3844 56.7392 40.6380 178.4205 45 G 3.1192 8.0626 103.8568 44.3577 0.0000 174.1147 46 F 4.7034 8.2064 116.5758 56.6451 41.1621 177.2016 47 G 3.9931 7.9450 111.4743 45.2614 0.0000 173.4655 48 E 3.9428 9.0136 119.7875 58.5296 29.9300 177.3334 49 H 4.5774 7.9440 118.4971 53.1420 31.0849 171.3189 50 P 4.1854 0.0000 0.0000 62.5056 31.2272 176.2795 51 F 4.1572 8.9250 122.7869 58.2131 39.3046 174.5269 52 Y 4.9144 6.5406 117.0737 56.5991 40.7385 173.3071 53 H 4.6546 9.1792 116.3026 54.1298 33.0364 172.7227 54 C 5.7365 8.7444 118.4376 58.0727 32.8045 172.7295 55 L 5.4110 9.0013 120.9676 53.1868 44.8743 176.0943 56 V 5.1698 9.0344 115.8894 59.5475 35.9802 174.3294 57 A 5.0873 9.0667 125.6529 50.5189 20.9549 175.4812 58 E 5.1857 9.6132 124.2886 54.5855 32.4900 175.2146 59 V 5.0313 8.1651 118.9974 58.2795 35.2399 173.8212 60 P 4.5072 0.0000 0.0000 63.0261 31.5042 176.0831 *66 P 4.6471 0.0000 0.0000 62.3923 33.1485 176.4927 67 E 5.0674 7.6414 123.3328 55.4049 31.7851 177.2500 68 G 5.1155 7.3039 117.5379 46.1182 0.0000 171.3401 69 H 5.0870 7.9372 116.2524 53.7864 31.8948 173.7431 70 S 4.5647 8.5239 115.8611 59.2089 65.3440 173.4853 71 I 4.5132 7.7309 121.3375 60.5820 37.3131 176.1414 72 V 4.0919 8.3785 120.3036 61.0790 33.0412 175.7381 73 G 4.6002 7.8167 106.5456 45.7349 0.0000 172.1528 74 F 6.1834 9.4614 114.9912 56.5668 42.2489 172.8639 75 A 4.6907 8.6117 119.9974 50.5778 22.3847 174.4723 76 M 5.4294 9.3709 123.4143 54.1297 34.9691 174.3010 77 Y 5.2810 9.0404 123.1442 56.5532 42.3247 172.6583 78 Y 4.8951 8.2610 116.6453 56.1895 41.8468 173.3535 79 F 5.4278 8.8430 119.0345 56.7969 40.9613 175.2075 80 T 5.0087 8.9887 112.1081 60.1484 72.5925 171.5919 81 Y 5.1385 8.4896 120.8059 56.0224 42.2482 173.6880 82 D 4.8529 7.8847 125.5170 51.5039 43.3575 174.8577 83 P 4.5102 0.0000 0.0000 64.4819 31.5574 176.7736 84 W 4.8355 8.2049 118.2245 57.5566 30.3688 176.7140 85 I 4.3191 8.4274 109.4424 59.9544 39.7157 175.9161 86 G 3.1828 8.2492 107.3908 42.9120 0.0000 172.4576 87 K 4.5866 8.6651 119.6694 57.5661 33.2724 176.1800 88 L 5.0792 8.9086 122.8142 53.0110 46.8206 174.8807 89 L 4.9630 8.7680 124.1288 53.9157 44.0538 174.3588 90 Y 4.7764 8.7361 128.2326 55.6825 40.8083 174.2727 91 L 4.1470 8.2070 130.8862 54.2361 41.7265 175.9498 92 E 4.3205 8.8713 129.0294 59.1280 30.2874 176.3566 93 D 4.7593 7.7383 116.6304 53.1184 44.9588 173.6957 94 F 5.2365 8.4280 125.6194 56.7365 42.3789 173.2030 95 F 4.8435 9.1868 127.1839 56.9444 43.4252 173.0754 96 V 4.3697 6.4758 122.7172 60.9663 34.2738 174.6030 97 M 3.8022 8.6097 127.9174 55.8571 32.3144 177.1993 98 S 3.9586 9.1658 118.3384 61.8881 62.4821 175.8399 99 D 4.5145 8.0601 115.4610 55.5931 40.5903 176.2131 100 Y 4.8193 7.9787 116.3457 57.6954 38.5137 176.0134 101 R 4.0073 7.4241 119.1739 56.6071 30.9646 177.7364 102 G 3.6595 8.4300 106.9422 45.9055 0.0000 174.1617 103 F 4.8506 7.3342 116.8459 57.2663 39.7150 176.7935 104 G 4.1932 8.2746 109.9292 45.2770 0.0000 175.4458 105 I 3.4339 7.7601 121.0056 64.3476 37.0812 177.9457 106 G 3.9701 8.0984 105.7408 48.4355 0.0000 175.6095 107 S 4.3221 8.1715 117.0084 61.0848 62.8774 176.1794 108 E 4.1023 8.3486 122.2555 59.0419 29.4047 178.8437 109 I 3.7004 8.0938 120.2077 64.3199 37.0554 178.4009 110 L 3.8533 7.9419 119.7914 57.2920 41.3299 179.4923 111 K 3.9108 7.9036 119.8012 59.5254 32.1506 178.6953 112 N 4.3155 8.2990 116.8628 56.1858 38.3480 177.4356 113 L 3.6683 7.8305 120.3443 57.7794 41.6047 179.6697 114 S 4.0583 8.1742 115.2743 61.7950 62.7931 176.8030 115 Q 3.9613 8.2005 120.7025 58.8704 28.3921 179.2222 116 V 3.5841 7.8299 119.0320 65.8559 31.6293 177.8353 117 A 4.0743 8.1896 120.8391 55.6109 18.3059 179.4864 118 M 4.0087 8.2461 117.2628 58.5167 31.8181 178.9900 119 K 3.9936 7.9865 118.5806 59.1711 32.4734 177.7217 120 C 4.3067 7.9338 114.1896 58.9808 28.3951 174.1911 121 R 3.9539 7.6002 118.2642 56.8927 27.7360 176.1378 122 C 4.2652 7.9179 115.9442 60.0610 28.4623 174.6324 123 S 4.2542 8.4014 118.4820 60.7785 63.2140 173.7196 124 S 4.5927 7.2661 113.9678 58.1379 65.6855 174.1160 125 M 5.1672 8.7737 119.9154 54.1773 33.9996 174.3461 126 H 5.0038 9.0579 123.2814 54.3829 32.1103 173.2232 127 F 4.4191 7.3776 113.8078 56.4388 40.2198 172.8362 128 L 4.6738 8.4609 119.1165 52.8770 43.7570 176.4734 129 V 4.3487 7.8972 120.6858 60.3837 34.5830 175.0430 130 A 3.9198 8.1639 129.3106 51.9409 18.6739 178.4488 131 E 4.0509 8.6284 120.5262 58.7301 29.9376 178.4116 132 W 4.4265 7.5888 115.6748 58.7433 29.6139 176.8446 133 N 4.6770 6.3107 117.7528 52.5160 36.2111 174.5540 134 E 3.9924 8.2320 122.8836 58.9490 30.2862 176.0301 135 P 4.2894 0.0000 0.0000 65.5698 31.4579 178.5134 136 S 4.1240 8.0210 111.4967 61.2495 62.1949 176.2682 137 I 3.9128 7.7545 122.2867 64.6139 36.8996 178.2077 138 N 4.4001 8.4462 117.3356 56.0919 38.0725 177.1991 139 F 4.0967 7.8357 121.1617 61.5236 39.6306 176.4768 140 Y 4.1578 7.9270 115.7374 60.7313 37.8457 178.0990 141 K 4.1418 8.5673 119.8003 59.4689 32.2937 178.6297 142 R 4.1198 7.9887 116.6499 57.6936 29.9663 176.6854 143 R 4.4449 8.3203 115.3288 56.6575 30.7477 176.5694 144 G 3.9656 8.2706 108.0494 45.0339 0.0000 174.6919 145 A 4.1652 7.8169 121.5719 52.7973 18.8700 176.8379 146 S 4.6354 8.0178 114.9742 56.4429 66.6038 173.5914 147 D 4.3334 8.6009 123.6999 53.8049 41.2399 176.0501 148 L 4.3228 8.0591 126.7388 53.3934 43.9288 176.4232 *153 G 3.7711 8.1011 106.1295 45.9108 0.0000 173.0012 154 W 4.7343 8.0846 116.6495 54.4309 32.6811 175.4832 155 R 4.6284 8.6033 121.7559 54.0929 31.5970 175.0931 156 L 4.2650 8.5427 127.2580 54.8900 42.5645 175.8179 157 F 4.8186 8.8015 124.4047 55.4138 42.0111 174.6326 158 K 4.7350 8.4639 120.7041 55.2085 35.4875 176.0947 159 I 4.5182 8.1186 119.9240 59.6073 39.5573 175.3564 160 D 4.6574 8.9147 125.4588 53.7788 41.8250 177.8424 161 K 4.0547 8.5556 122.0270 59.7867 32.3848 177.6863 162 E 3.7531 8.2362 119.0355 59.8825 29.4827 178.3121 163 Y 4.3653 8.0587 115.7644 60.1001 37.9807 177.8590 164 L 4.1546 7.7776 120.0674 57.4711 41.9010 178.9915 165 L 3.9697 8.8545 120.1290 57.4391 41.3007 179.3294 166 K 3.8866 7.6275 118.1105 60.0384 32.2811 178.5096 167 M 4.2228 7.8011 116.7259 58.2806 31.9472 178.3460 168 A 4.1069 8.1442 120.0527 54.7862 18.5589 177.7568 169 A 4.2583 7.6894 122.7339 52.5369 18.7529 177.0915 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 K 8.30 4.49 0.00 1.77 1.95 0.00 1.58 0.00 0.00 1.54 0.00 0.00 2.54 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.71 7.81 4 F 7.37 5.03 0.00 3.31 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 5 K 10.39 4.60 0.00 1.66 1.71 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.28 1.35 7.81 6 I 8.86 5.66 1.98 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.56 1.04 0.00 0.00 7 R 8.35 4.85 0.00 1.88 2.05 0.00 3.00 0.00 0.00 3.38 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 8 P 0.00 5.03 0.00 2.06 2.14 0.00 3.74 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.18 0.00 9 A 8.63 4.85 1.51 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 10 T 8.33 4.48 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 1.22 0.00 0.00 11 A 7.50 3.07 1.01 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 0.00 0.00 12 S 7.27 4.12 0.00 4.03 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 13 D 7.96 4.53 0.00 2.95 2.77 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 14 C 7.79 4.13 0.00 3.04 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 15 S 8.00 4.09 0.00 4.02 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 0.00 16 D 7.92 4.23 0.00 2.88 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 17 I 7.68 3.23 1.94 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.72 0.64 0.00 0.00 18 L 8.08 3.80 0.00 1.67 1.75 0.92 0.79 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 19 R 7.59 3.79 0.00 1.96 1.99 0.00 3.08 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 20 L 8.06 4.11 0.00 1.38 2.04 1.06 1.04 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 21 I 7.67 3.72 1.94 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 1.51 0.82 0.90 0.00 0.00 22 K 7.96 3.98 0.00 1.95 1.83 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.58 7.81 23 E 8.08 3.91 0.00 2.07 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 2.52 2.62 0.00 24 L 7.65 3.56 0.00 1.75 1.59 1.10 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.77 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 26 K 8.32 4.03 0.00 1.92 1.87 0.00 1.87 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.61 7.81 27 Y 7.17 3.83 0.00 2.87 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 28 E 8.19 4.24 0.00 2.05 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 2.52 2.41 0.00 29 Y 7.69 4.50 0.00 3.06 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 30 M 8.15 4.98 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.54 0.00 31 E 8.31 3.99 0.00 2.09 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 2.42 2.38 0.00 32 D 8.01 4.59 0.00 2.79 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 33 Q 7.60 4.07 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.07 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 34 V 7.52 3.93 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.95 0.00 0.00 35 I 7.94 4.28 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 1.40 0.78 0.91 0.00 0.00 36 L 7.76 4.26 0.00 1.62 1.62 0.86 0.82 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 37 T 8.22 4.67 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 1.25 0.00 0.00 38 E 8.51 3.95 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 39 K 8.00 3.95 0.00 1.81 1.86 0.00 1.78 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.48 7.81 40 D 8.02 4.42 0.00 3.02 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.06 4.29 0.00 1.95 1.90 0.91 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 8.32 4.22 0.00 2.34 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.73 0.00 43 E 8.64 4.02 0.00 2.02 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 2.37 2.54 0.00 44 D 8.85 4.64 0.00 2.92 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 45 G 8.06 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 0.00 0.00 0.00 46 F 8.21 4.70 0.00 3.11 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 47 G 7.94 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 0.00 0.00 0.00 48 E 9.01 3.94 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 49 H 7.94 4.58 0.00 2.96 3.05 0.00 5.98 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.19 0.00 1.69 1.67 0.00 3.49 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 51 F 8.93 4.16 0.00 3.17 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Y 6.54 4.91 0.00 2.95 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 53 H 9.18 4.65 0.00 1.40 2.56 0.00 5.55 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 C 8.74 5.74 0.00 3.14 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 55 L 9.00 5.41 0.00 1.74 1.60 1.12 0.88 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 56 V 9.03 5.17 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 0.85 0.00 0.00 1.07 0.00 0.00 57 A 9.07 5.09 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 58 E 9.61 5.19 0.00 2.02 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 2.21 2.39 0.00 59 V 8.17 5.03 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 0.70 0.00 0.00 0.95 0.00 0.00 60 P 0.00 4.51 0.00 2.19 2.15 0.00 4.00 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 2.00 1.99 0.00 *66 P 0.00 4.65 0.00 2.18 2.38 0.00 3.82 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 67 E 7.64 5.07 0.00 1.93 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 2.04 2.07 0.00 68 G 7.30 5.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 H 7.94 5.09 0.00 3.14 3.16 0.00 5.69 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 S 8.52 4.56 0.00 3.89 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 71 I 7.73 4.51 1.85 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 1.34 0.85 0.98 0.00 0.00 72 V 8.38 4.09 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 -0.44 0.00 0.00 0.58 0.00 0.00 73 G 7.82 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 F 9.46 6.18 0.00 3.34 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 A 8.61 4.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 M 9.37 5.43 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.64 0.00 77 Y 9.04 5.28 0.00 3.00 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 78 Y 8.26 4.90 0.00 3.02 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 F 8.84 5.43 0.00 3.11 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 80 T 8.99 5.01 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 1.33 0.00 0.00 81 Y 8.49 5.14 0.00 2.88 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 82 D 7.88 4.85 0.00 2.64 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 P 0.00 4.51 0.00 2.34 2.23 0.00 3.47 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.81 0.00 84 W 8.20 4.84 0.00 3.45 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 85 I 8.43 4.32 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 1.40 0.55 0.99 0.00 0.00 86 G 8.25 3.18 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 87 K 8.67 4.59 0.00 1.77 1.84 0.00 1.58 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.72 1.77 7.81 88 L 8.91 5.08 0.00 1.59 1.42 0.73 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 89 L 8.77 4.96 0.00 1.84 1.52 0.73 0.39 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 90 Y 8.74 4.78 0.00 3.03 2.49 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 91 L 8.21 4.15 0.00 1.39 1.47 0.71 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.87 4.32 0.00 2.21 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 2.65 2.48 0.00 93 D 7.74 4.76 0.00 2.80 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 F 8.43 5.24 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 95 F 9.19 4.84 0.00 2.99 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 96 V 6.48 4.37 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 0.67 0.00 0.00 0.69 0.00 0.00 97 M 8.61 3.80 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.72 0.00 98 S 9.17 3.96 0.00 3.90 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 99 D 8.06 4.51 0.00 2.39 2.39 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 0.00 0.00 0.00 0.00 100 Y 7.98 4.82 0.00 3.01 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 0.00 101 R 7.42 4.01 0.00 1.70 1.61 0.00 3.02 0.00 0.00 2.95 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.70 0.00 102 G 8.43 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 0.00 0.00 0.00 103 F 7.33 4.85 0.00 2.91 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 0.00 104 G 8.27 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 0.00 0.00 0.00 105 I 7.76 3.43 1.64 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.79 0.00 0.00 106 G 8.10 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 0.00 107 S 8.17 4.32 0.00 3.98 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 0.00 108 E 8.35 4.10 0.00 2.36 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 109 I 8.09 3.70 2.04 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.98 0.30 0.00 0.00 110 L 7.94 3.85 0.00 1.87 1.67 1.06 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 111 K 7.90 3.91 0.00 1.98 2.00 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.43 1.47 7.81 112 N 8.30 4.32 0.00 2.97 2.82 0.00 0.00 7.06 6.27 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 0.00 113 L 7.83 3.67 0.00 1.63 1.41 0.43 0.20 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 0.00 114 S 8.17 4.06 0.00 3.97 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 8.20 3.96 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.61 0.00 116 V 7.83 3.58 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 1.15 0.00 0.00 0.94 0.00 0.00 117 A 8.19 4.07 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 M 8.25 4.01 0.00 2.03 2.25 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.87 0.00 119 K 7.99 3.99 0.00 1.88 2.00 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.48 7.81 120 C 7.93 4.31 0.00 2.95 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 0.00 121 R 7.60 3.95 0.00 1.99 2.05 0.00 3.33 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 122 C 7.92 4.27 0.00 3.04 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 0.00 123 S 8.40 4.25 0.00 3.94 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 0.00 124 S 7.27 4.59 0.00 3.89 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 0.00 125 M 8.77 5.17 0.00 2.07 1.95 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.59 0.00 126 H 9.06 5.00 0.00 3.10 3.08 0.00 5.72 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 F 7.38 4.42 0.00 2.66 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 L 8.46 4.67 0.00 1.65 1.60 1.03 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 129 V 7.90 4.35 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 0.82 0.00 0.00 1.01 0.00 0.00 130 A 8.16 3.92 0.32 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 0.00 131 E 8.63 4.05 0.00 2.12 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 2.38 2.46 0.00 132 W 7.59 4.43 0.00 3.58 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 0.00 133 N 6.31 4.68 0.00 1.44 2.19 0.00 0.00 6.72 7.53 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 0.00 134 E 8.23 3.99 0.00 2.18 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 2.43 2.52 0.00 135 P 0.00 4.29 0.00 2.23 2.10 0.00 3.88 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 2.20 2.19 0.00 136 S 8.02 4.12 0.00 3.92 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 0.00 137 I 7.75 3.91 2.08 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 1.56 0.69 0.96 0.00 0.00 138 N 8.45 4.40 0.00 2.93 2.90 0.00 0.00 6.69 7.75 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 0.00 139 F 7.84 4.10 0.00 2.92 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 0.00 140 Y 7.93 4.16 0.00 3.37 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 0.00 141 K 8.57 4.14 0.00 1.83 1.88 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.84 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.61 7.81 142 R 7.99 4.12 0.00 1.78 2.02 0.00 3.21 0.00 0.00 3.18 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 143 R 8.32 4.44 0.00 1.74 1.77 0.00 2.36 0.00 0.00 2.89 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.19 0.00 144 G 8.27 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 0.00 145 A 7.82 4.17 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 S 8.02 4.64 0.00 3.74 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 D 8.60 4.33 0.00 2.58 2.55 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 0.00 148 L 8.06 4.32 0.00 1.51 1.50 0.62 0.88 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 *153 G 8.10 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 0.00 154 W 8.08 4.73 0.00 3.25 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 0.00 155 R 8.60 4.63 0.00 1.88 1.98 0.00 3.10 0.00 0.00 3.07 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 156 L 8.54 4.26 0.00 1.66 1.56 0.96 0.71 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 0.00 157 F 8.80 4.82 0.00 3.08 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 0.00 158 K 8.46 4.73 0.00 1.84 1.76 0.00 1.64 0.00 0.00 1.73 0.00 0.00 3.31 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.49 7.81 159 I 8.12 4.52 1.93 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 1.43 0.73 1.02 0.00 0.00 160 D 8.91 4.66 0.00 2.84 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 0.00 161 K 8.56 4.05 0.00 1.81 1.78 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.53 7.81 162 E 8.24 3.75 0.00 1.85 1.56 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 1.67 2.14 0.00 163 Y 8.06 4.37 0.00 3.20 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 0.00 164 L 7.78 4.15 0.00 1.87 1.73 0.95 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 165 L 8.85 3.97 0.00 1.76 1.70 0.89 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 166 K 7.63 3.89 0.00 1.99 2.04 0.00 1.87 0.00 0.00 1.86 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.51 7.81 167 M 7.80 4.22 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.59 0.00 168 A 8.14 4.11 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 A 7.69 4.26 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.