NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.6263 8.1548 118.4709 56.3592 31.3014 174.4981 3 H 4.7314 8.7498 118.5630 52.9047 33.0032 170.7003 4 I 4.6674 8.8315 124.0676 59.5918 39.9264 174.2389 5 I 4.6521 9.3867 129.4113 59.5811 39.9989 174.7134 6 S 5.1355 8.9457 123.8317 56.6954 65.0056 173.3303 7 L 5.1955 8.3543 123.5895 54.0622 43.4022 175.2368 8 L 4.7292 8.8018 126.0731 54.2309 44.6937 175.6716 *10 E 4.5725 8.4751 121.2796 55.9344 31.5532 175.6492 11 N 4.7907 7.8006 115.8730 54.4345 37.3021 175.7185 12 E 4.4935 7.7362 119.8458 54.5049 32.2694 174.8699 13 A 4.3728 8.4924 131.3133 52.7409 18.8184 179.3147 14 G 3.7045 8.8122 109.8833 48.7214 0.0000 176.1372 15 A 3.9929 7.9511 123.2343 54.8643 18.2933 179.2679 16 L 3.8609 7.8235 118.4141 58.4079 42.1803 179.0411 17 S 4.0683 7.7886 112.3850 61.4498 62.3982 176.2322 18 R 3.9139 8.9302 121.8109 59.2355 29.7028 178.9732 19 V 3.6632 8.3268 118.0209 66.3332 31.4477 177.8775 20 A 4.2130 8.4139 120.5119 54.9988 18.0191 179.6935 21 G 3.5954 8.2914 104.3540 48.5984 0.0000 175.1128 22 L 3.6853 7.8845 122.4252 58.5700 42.0949 179.1904 23 F 4.0415 8.5070 117.4469 60.2634 38.9462 177.8955 24 S 3.9926 8.4849 113.0298 61.4343 62.1381 176.1117 25 A 4.0490 8.0231 122.4976 54.6951 18.2337 178.8896 26 R 4.0902 8.0908 114.5094 55.6310 30.5420 176.7921 27 G 3.7181 7.5262 106.7819 46.7618 0.0000 173.1012 28 Y 4.9614 6.4531 115.6871 55.8181 40.4657 175.0522 29 N 4.8230 8.6992 123.0110 52.5402 40.6350 175.4159 30 I 3.8633 8.1053 122.5170 59.1969 35.7148 175.1100 31 E 4.1190 8.5283 128.2605 57.8997 29.7679 176.3139 32 S 4.6179 7.2269 110.4542 58.0013 66.8401 171.6743 33 L 4.5038 7.8809 116.8835 54.7629 44.4496 174.1186 34 S 4.9071 8.8337 121.7113 56.9467 67.0324 174.0447 35 V 4.8936 8.5026 121.7109 60.6721 34.2536 173.3074 36 A 4.6575 8.3432 124.7947 50.2718 23.0775 172.8147 37 P 4.9694 0.0000 0.0000 61.6863 32.4227 177.0941 38 T 4.3676 8.3091 113.4537 60.2036 70.2815 174.5580 39 E 3.8731 8.8026 120.9913 59.4828 29.6372 177.3393 40 D 4.5572 7.9331 119.1763 52.7214 40.5619 174.9035 41 P 4.4526 0.0000 0.0000 64.4472 31.3107 177.6541 42 T 4.0705 7.8023 115.2113 64.0825 67.8573 174.1615 43 L 4.9562 8.0350 122.7239 53.4008 45.0673 181.1104 44 S 5.1915 8.6352 116.7937 56.5779 66.6308 173.4253 45 R 4.3522 8.4800 123.0027 54.9550 33.4852 174.5613 *47 T 4.6339 8.1303 116.0738 63.2738 70.0222 173.4369 48 L 5.1768 9.3210 125.9564 53.9723 44.3758 175.3183 49 V 4.9607 7.9572 119.5377 60.4909 34.4842 174.5118 50 T 4.4724 8.7285 117.6293 61.4530 70.7878 172.9877 51 N 4.6391 9.1581 120.9207 54.1575 40.1195 177.3737 52 G 4.1959 7.8198 114.4045 46.2665 0.0000 172.8306 53 P 4.3384 0.0000 0.0000 61.4024 31.9499 179.1922 54 D 4.6370 8.5050 127.0412 54.6444 41.9648 175.8176 55 E 4.2168 9.1636 121.4681 58.3891 28.2518 173.3510 56 I 3.8495 7.5943 122.5911 65.3198 35.2899 181.1091 *57 V 3.9241 7.1873 119.8078 66.7012 31.0477 182.1712 58 E 4.1666 8.0373 121.1813 61.7287 29.7713 181.2356 59 Q 4.3707 8.8032 124.5846 60.9342 27.9672 182.2315 60 I 3.8029 7.8596 121.5317 65.3775 35.5070 180.6224 61 T 4.0946 8.0912 120.3658 67.0417 68.1065 177.1344 62 K 3.9422 9.0005 127.2150 60.6611 31.9099 181.1156 63 Q 4.3510 8.1061 121.9426 60.0980 27.9139 180.5457 64 L 3.9711 8.3010 119.9899 57.3493 41.6953 178.9047 65 N 4.6283 7.9311 117.1546 55.5931 38.6752 177.0070 66 K 4.1428 8.6678 124.4313 57.0727 32.2259 183.7636 67 L 4.3192 7.8928 119.1286 55.3858 41.8793 182.4240 *68 I 4.4601 7.8170 117.2358 58.6729 36.2966 177.2949 *70 V 3.7970 7.4998 121.0629 63.0673 31.3130 174.1248 71 V 3.7794 8.0475 129.3109 62.5167 31.8545 175.5193 72 K 4.8659 7.9535 116.9040 54.3486 35.8776 175.0054 73 L 5.2570 8.4747 123.0697 54.0106 42.8517 175.3977 74 I 4.5230 9.0202 121.8812 59.4209 41.9502 173.6876 75 D 4.9848 8.4816 127.8272 51.8350 40.3639 176.1093 76 L 3.9587 8.4532 124.5563 57.6756 42.1250 180.2454 77 S 4.3886 7.8701 112.9651 60.9847 62.8917 175.6589 78 S 4.2866 8.4174 114.9541 60.0724 62.9725 173.4762 79 E 4.7916 7.8013 118.5740 53.3775 33.2716 175.2365 80 G 4.0084 8.4803 106.4208 47.7097 0.0000 172.1128 81 Y 5.5232 7.6588 119.9888 55.7201 41.6411 174.1675 82 V 4.6948 9.1098 113.5235 59.8007 34.7808 174.9809 83 E 5.2997 8.6239 120.0699 55.2536 32.6089 174.4517 84 R 5.0376 8.9882 120.4498 54.6389 35.2270 173.7027 85 E 4.9162 9.2721 121.2736 54.7564 33.7292 174.6513 86 L 5.0756 8.1463 127.5348 52.7551 45.5655 174.4100 *88 L 4.4915 8.1357 118.2374 54.6083 43.3612 176.3256 89 V 4.6934 8.9160 124.3627 60.8738 34.4091 174.0587 90 K 4.9104 9.1143 130.4891 55.5312 33.4113 175.3880 91 V 4.9677 8.7041 121.7663 59.2112 34.5471 175.4634 92 R 4.3154 9.0797 125.9741 56.6824 30.3955 176.2602 93 A 4.4831 9.6283 128.7772 50.1561 21.0471 174.9229 94 V 4.2995 7.8128 113.1262 60.6039 36.5605 177.3047 95 G 3.7573 8.4155 110.5877 46.5321 0.0000 176.8011 96 K 4.0542 8.5078 120.3872 59.1508 32.7721 178.8721 97 D 4.4915 7.7917 118.8437 56.7345 40.6729 178.3158 98 R 4.0666 7.8387 118.7775 59.1376 30.2851 178.2466 99 E 4.2234 8.1320 118.6856 59.0285 29.7793 178.7285 100 E 4.2118 7.9381 115.6952 57.0096 29.4053 178.0428 *102 K 4.1702 7.9903 120.3815 56.0472 34.2851 177.8928 103 R 3.9754 8.3127 117.8623 59.2477 29.9089 178.9898 104 L 4.1659 8.1742 118.4074 57.8579 41.7090 179.2736 105 A 4.1788 8.2546 120.1376 55.4406 18.2777 179.2833 106 D 4.2729 8.3715 117.2159 57.6479 40.7399 178.8080 107 I 3.6719 8.1135 119.1452 64.4600 37.2817 177.6529 108 F 4.3937 8.3904 114.6436 56.5961 39.1126 175.8671 109 R 3.8306 8.0055 116.7655 57.1670 27.8983 176.6330 110 G 4.0145 8.4098 105.5909 45.6785 0.0000 173.4309 111 N 5.1880 8.8092 116.1580 51.2306 42.5001 174.3046 112 I 4.5749 8.3073 123.9620 60.8670 37.7914 175.6265 113 I 4.5461 8.9462 119.3618 60.4989 38.8069 174.8893 114 D 4.9197 7.8823 122.2900 53.3565 44.7368 174.1215 115 V 5.1982 8.3069 124.2291 60.9708 34.5726 173.5188 116 T 4.7487 8.6024 114.0855 59.5931 71.6769 174.0020 117 N 4.5806 8.6695 116.2015 54.0746 37.1449 174.9010 118 E 4.8429 8.7495 116.4591 54.7096 32.6567 174.7334 119 L 4.9752 7.5749 118.8794 54.7945 44.4065 174.1225 120 Y 5.5473 8.7471 116.6964 56.7236 42.5861 174.5373 121 T 5.0358 8.9866 118.9283 62.0276 71.3672 173.2380 122 I 4.7703 9.0345 127.8790 59.5145 39.7809 174.1838 123 E 4.6875 9.2081 128.7056 54.7551 31.2741 174.4585 124 L 4.9282 8.2091 127.5091 53.5975 45.8301 174.8204 125 T 4.8719 8.7331 121.2373 61.4548 72.2465 173.9945 126 G 3.9167 8.0833 111.6590 44.9808 0.0000 172.3673 127 T 4.4910 7.9201 111.7712 61.9738 70.6347 175.5139 128 R 3.9380 8.5446 124.3605 62.1731 29.4011 180.3272 129 S 4.3924 8.1240 114.4349 60.8471 62.9984 176.2627 130 K 4.0752 8.0091 122.9329 59.4936 32.0947 178.8316 131 L 3.9907 8.0206 119.2440 57.9098 41.4856 179.0330 132 D 4.5434 8.4122 119.0642 57.5898 40.7687 179.3534 133 G 3.7629 8.1796 106.0968 47.5975 0.0000 175.5373 134 F 2.9999 8.0872 122.9730 60.8763 39.0716 177.3224 135 L 3.9871 7.5567 116.9718 57.6263 41.4747 178.8624 136 Q 4.0440 8.2953 119.1667 59.0561 29.0201 177.8844 137 A 4.0470 7.5198 121.1497 53.7438 18.8966 178.3013 138 V 3.5432 6.6633 116.3798 62.1253 32.3579 175.5069 139 D 4.3905 8.6546 126.3761 54.9796 41.3816 176.9509 140 C 3.7527 8.9224 122.7783 63.1401 28.3145 176.3947 141 N 4.3625 8.1157 114.7281 55.8567 38.3537 175.9384 142 L 4.2009 8.1165 117.2533 55.5798 42.2265 176.3765 143 I 4.2364 7.5171 120.4365 60.8568 36.9215 175.7052 144 L 4.3756 8.9541 127.5535 57.3339 42.0856 177.3307 145 E 4.8195 7.6965 113.5839 55.5749 32.5724 174.2530 146 I 5.0788 8.3904 120.5723 59.5020 40.7136 174.7165 147 A 4.7167 9.1032 128.0965 50.1000 21.3156 175.4527 148 R 4.7280 8.4734 122.6326 54.8685 32.6574 175.0962 149 T 4.0073 9.2108 116.6285 61.7779 69.2472 175.4185 150 G 4.0667 8.5203 109.2203 45.5571 0.0000 173.3422 151 V 4.5921 7.5126 111.4663 59.9876 33.2868 176.0112 152 S 4.8239 8.8323 118.1616 56.6483 65.9361 173.1581 153 G 4.5925 8.5288 107.8841 44.9076 0.0000 171.3631 154 L 4.9907 8.6995 118.6993 52.5835 46.3518 176.4350 155 S 4.7117 8.9091 118.4883 59.0843 63.4655 174.6427 156 R 3.8663 8.2111 122.8276 57.6064 30.2388 178.3456 157 G 3.8904 8.8015 108.6296 45.3996 0.0000 173.5882 158 E 4.1645 8.5602 118.4616 57.5661 30.1979 176.8895 159 R 3.9611 7.9716 119.5843 56.5735 30.2203 175.7911 160 V 4.5756 8.0548 117.3740 59.2171 35.2805 176.4663 161 L 3.8452 8.5798 124.6351 57.8720 42.2960 178.3058 162 K 3.9649 8.3400 119.2002 59.6030 32.5289 177.1091 163 L 4.3384 7.3335 122.8996 54.0272 41.2659 178.5683 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 R 8.15 4.63 0.00 1.85 1.79 0.00 3.07 0.00 0.00 2.85 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.19 0.00 3 H 8.75 4.73 0.00 3.12 3.14 0.00 5.54 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.83 4.67 1.45 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 1.23 1.05 0.73 0.00 0.00 5 I 9.39 4.65 1.99 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 1.37 1.04 1.00 0.00 0.00 6 S 8.95 5.14 0.00 3.74 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 7 L 8.35 5.20 0.00 1.69 1.59 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.80 4.73 0.00 1.84 1.55 0.92 0.84 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 *10 E 8.48 4.57 0.00 1.82 1.79 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 2.13 1.89 0.00 11 N 7.80 4.79 0.00 2.86 2.79 0.00 0.00 6.89 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 12 E 7.74 4.49 0.00 1.95 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 0.00 2.26 2.21 0.00 13 A 8.49 4.37 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 14 G 8.81 3.70 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 0.00 0.00 0.00 15 A 7.95 3.99 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 16 L 7.82 3.86 0.00 1.82 1.87 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 17 S 7.79 4.07 0.00 3.93 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 18 R 8.93 3.91 0.00 1.86 1.99 0.00 3.37 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 19 V 8.33 3.66 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 1.14 0.00 0.00 1.07 0.00 0.00 20 A 8.41 4.21 1.39 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 0.00 0.00 21 G 8.29 3.60 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 22 L 7.88 3.69 0.00 1.82 1.74 0.92 1.06 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 23 F 8.51 4.04 0.00 3.27 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.48 3.99 0.00 3.89 3.95 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 25 A 8.02 4.05 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 26 R 8.09 4.09 0.00 1.48 1.12 0.00 3.15 0.00 0.00 3.16 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 27 G 7.53 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 Y 6.45 4.96 0.00 3.30 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 29 N 8.70 4.82 0.00 2.71 2.75 0.00 0.00 6.93 7.94 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 30 I 8.11 3.86 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 1.30 0.80 0.91 0.00 0.00 31 E 8.53 4.12 0.00 1.96 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 0.00 2.32 2.26 0.00 32 S 7.23 4.62 0.00 3.85 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 7.88 4.50 0.00 1.54 1.47 0.88 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.83 4.91 0.00 3.89 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 35 V 8.50 4.89 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 0.98 0.00 0.00 0.93 0.00 0.00 36 A 8.34 4.66 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.97 0.00 1.95 1.98 0.00 3.72 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.91 0.00 38 T 8.31 4.37 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 1.26 0.00 0.00 39 E 8.80 3.87 0.00 1.96 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 2.33 2.40 0.00 40 D 7.93 4.56 0.00 2.71 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.45 0.00 2.08 2.08 0.00 3.73 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 2.02 2.06 0.00 42 T 7.80 4.07 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 1.38 0.00 0.00 43 L 8.04 4.96 0.00 1.33 1.44 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.64 5.19 0.00 3.79 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 45 R 8.48 4.35 0.00 1.93 1.79 0.00 3.17 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 *47 T 8.13 4.63 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 48 L 9.32 5.18 0.00 1.65 1.58 0.62 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.96 4.96 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.95 0.00 0.00 50 T 8.73 4.47 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 51 N 9.16 4.64 0.00 2.82 2.77 0.00 0.00 6.50 7.89 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 52 G 7.82 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 0.00 0.00 0.00 0.00 53 P 0.00 4.34 0.00 2.01 1.96 0.00 3.74 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.61 0.00 54 D 8.51 4.64 0.00 2.63 2.66 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 55 E 9.16 4.22 0.00 2.07 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 2.19 1.86 0.00 56 I 7.59 3.85 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 1.50 0.54 0.91 0.00 0.00 *57 V 7.19 3.92 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 0.71 0.00 0.00 0.93 0.00 0.00 58 E 8.04 4.17 0.00 1.97 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 2.31 1.94 0.00 59 Q 8.80 4.37 0.00 2.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 60 I 7.86 3.80 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 1.52 0.54 0.91 0.00 0.00 61 T 8.09 4.09 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 62 K 9.00 3.94 0.00 1.86 1.74 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.34 7.81 63 Q 8.11 4.35 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.72 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 64 L 8.30 3.97 0.00 1.79 1.83 1.04 1.47 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 65 N 7.93 4.63 0.00 2.86 2.87 0.00 0.00 6.88 8.90 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 66 K 8.67 4.14 0.00 1.74 1.72 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.39 1.25 7.81 67 L 7.89 4.32 0.00 1.66 1.48 0.92 0.72 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 *68 I 7.82 4.46 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 1.30 1.24 0.91 0.00 0.00 *70 V 7.50 3.80 2.31 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 1.00 0.00 0.00 0.95 0.00 0.00 71 V 8.05 3.78 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.94 0.00 0.00 72 K 7.95 4.87 0.00 1.69 1.67 0.00 1.68 0.00 0.00 1.87 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.35 7.81 73 L 8.47 5.26 0.00 1.61 1.63 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 74 I 9.02 4.52 1.88 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 1.11 1.69 0.91 0.00 0.00 75 D 8.48 4.98 0.00 2.79 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 76 L 8.45 3.96 0.00 1.73 1.37 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 77 S 7.87 4.39 0.00 3.74 3.87 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 0.00 0.00 0.00 78 S 8.42 4.29 0.00 3.97 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 7.80 4.79 0.00 1.96 1.92 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 2.25 2.28 0.00 80 G 8.48 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 0.00 0.00 0.00 81 Y 7.66 5.52 0.00 3.08 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 82 V 9.11 4.69 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 0.71 0.00 0.00 1.04 0.00 0.00 83 E 8.62 5.30 0.00 1.96 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 2.55 2.64 0.00 84 R 8.99 5.04 0.00 1.73 1.81 0.00 3.24 0.00 0.00 3.12 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 85 E 9.27 4.92 0.00 1.96 1.71 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 2.18 2.41 0.00 86 L 8.15 5.08 0.00 1.78 1.51 0.89 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 *88 L 8.14 4.49 0.00 1.87 1.62 0.88 0.66 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 89 V 8.92 4.69 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 1.09 0.00 0.00 0.87 0.00 0.00 90 K 9.11 4.91 0.00 1.88 1.82 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.44 7.81 91 V 8.70 4.97 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 0.75 0.00 0.00 1.09 0.00 0.00 92 R 9.08 4.32 0.00 1.74 1.82 0.00 3.21 0.00 0.00 3.40 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 93 A 9.63 4.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 V 7.81 4.30 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 0.88 0.00 0.00 0.89 0.00 0.00 95 G 8.42 3.76 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 0.00 0.00 0.00 96 K 8.51 4.05 0.00 2.05 2.09 0.00 1.62 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.49 1.03 7.81 97 D 7.79 4.49 0.00 2.80 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 98 R 7.84 4.07 0.00 1.99 2.06 0.00 3.16 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.46 0.00 99 E 8.13 4.22 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 2.40 2.45 0.00 100 E 7.94 4.21 0.00 2.18 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 2.32 2.38 0.00 *102 K 7.99 4.17 0.00 1.90 2.15 0.00 1.51 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.67 7.81 103 R 8.31 3.98 0.00 2.15 2.02 0.00 3.21 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.96 0.00 104 L 8.17 4.17 0.00 1.82 1.93 0.49 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 105 A 8.25 4.18 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 0.00 106 D 8.37 4.27 0.00 2.73 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 0.00 107 I 8.11 3.67 2.11 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 1.50 0.60 0.60 0.00 0.00 108 F 8.39 4.39 0.00 3.29 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 0.00 109 R 8.01 3.83 0.00 1.99 2.03 0.00 3.15 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 110 G 8.41 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 0.00 0.00 0.00 111 N 8.81 5.19 0.00 2.56 2.63 0.00 0.00 7.47 7.68 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 0.00 112 I 8.31 4.57 1.66 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.27 0.77 0.00 0.00 113 I 8.95 4.55 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 1.23 0.67 0.92 0.00 0.00 114 D 7.88 4.92 0.00 2.80 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 V 8.31 5.20 2.30 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 0.81 0.00 0.00 1.13 0.00 0.00 116 T 8.60 4.75 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 0.00 117 N 8.67 4.58 0.00 2.83 2.96 0.00 0.00 5.70 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 E 8.75 4.84 0.00 1.84 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 2.16 2.02 0.00 119 L 7.57 4.98 0.00 2.02 1.65 0.96 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 8.75 5.55 0.00 2.94 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 0.00 121 T 8.99 5.04 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 1.22 0.00 0.00 122 I 9.03 4.77 1.83 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 1.10 0.74 0.72 0.00 0.00 123 E 9.21 4.69 0.00 1.94 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 2.18 2.20 0.00 124 L 8.21 4.93 0.00 1.28 1.15 0.43 0.80 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 0.00 125 T 8.73 4.87 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 1.24 0.00 0.00 126 G 8.08 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 0.00 127 T 7.92 4.49 4.39 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 1.30 0.00 0.00 128 R 8.54 3.94 0.00 1.87 2.02 0.00 3.27 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 129 S 8.12 4.39 0.00 4.09 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 0.00 130 K 8.01 4.08 0.00 1.98 2.09 0.00 1.52 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.81 7.81 131 L 8.02 3.99 0.00 1.96 1.70 0.94 1.17 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 0.00 132 D 8.41 4.54 0.00 2.97 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 0.00 133 G 8.18 3.76 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 0.00 0.00 0.00 134 F 8.09 3.00 0.00 2.26 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 0.00 135 L 7.56 3.99 0.00 1.84 1.72 0.95 1.01 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 0.00 136 Q 8.30 4.04 0.00 2.19 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.00 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 137 A 7.52 4.05 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 0.00 138 V 6.66 3.54 1.92 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 0.70 0.00 0.00 0.35 0.00 0.00 139 D 8.65 4.39 0.00 2.79 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 C 8.92 3.75 0.00 2.97 2.99 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 0.00 141 N 8.12 4.36 0.00 2.70 2.88 0.00 0.00 6.89 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 L 8.12 4.20 0.00 1.79 1.69 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 143 I 7.52 4.24 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.48 0.96 0.00 0.00 144 L 8.95 4.38 0.00 1.62 1.72 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 145 E 7.70 4.82 0.00 1.99 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 0.00 2.24 2.31 0.00 146 I 8.39 5.08 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.70 0.91 0.00 0.00 147 A 9.10 4.72 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 0.00 148 R 8.47 4.73 0.00 1.75 1.75 0.00 3.23 0.00 0.00 3.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.68 0.00 149 T 9.21 4.01 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 150 G 8.52 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 V 7.51 4.59 2.19 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 0.75 0.00 0.00 0.89 0.00 0.00 152 S 8.83 4.82 0.00 3.86 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 G 8.53 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 L 8.70 4.99 0.00 1.61 1.53 0.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 155 S 8.91 4.71 0.00 3.95 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 0.00 156 R 8.21 3.87 0.00 1.73 1.85 0.00 3.11 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.55 0.00 157 G 8.80 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 0.00 0.00 0.00 158 E 8.56 4.16 0.00 1.97 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 2.29 2.23 0.00 159 R 7.97 3.96 0.00 1.78 1.88 0.00 3.20 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 160 V 8.05 4.58 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 0.82 0.00 0.00 0.94 0.00 0.00 161 L 8.58 3.85 0.00 1.59 1.70 0.93 0.63 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 0.00 162 K 8.34 3.96 0.00 1.90 1.95 0.00 1.59 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.46 7.81 163 L 7.33 4.34 0.00 1.61 1.44 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.