NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 G 4.1124 8.3393 109.7299 45.9475 0.0000 173.2054 12 S 4.4538 7.7589 120.2827 55.1567 67.5156 172.7274 13 D 4.3318 9.3250 122.4448 56.9471 41.6158 179.5143 14 L 4.0559 7.9437 119.4291 57.7565 41.6317 179.5630 15 G 3.4900 7.8110 105.7403 47.5872 0.0000 175.9774 16 K 3.8151 7.7053 120.9548 59.1418 31.9982 179.6350 17 K 3.9931 7.8245 118.5044 59.1566 31.8592 179.2706 18 L 3.8289 7.5465 120.1515 57.9859 41.9793 178.7840 19 L 3.5957 8.0151 119.2330 57.8193 41.3857 179.2538 20 E 4.1876 8.0983 118.7524 59.2870 29.4945 178.6652 21 A 4.0001 8.2706 120.7803 55.0685 18.1859 179.5187 22 A 3.9010 8.1923 119.4572 55.1945 18.2331 179.7939 23 R 3.9221 8.2225 116.3917 59.5702 30.3628 178.1644 24 A 4.2876 8.4025 118.4859 52.1630 18.8442 177.2007 25 G 3.7385 7.6080 104.9120 47.3742 0.0000 175.8866 26 Q 4.3832 8.0878 120.7000 53.9784 27.0668 175.2834 27 D 4.4051 8.1862 124.2609 57.3739 41.2755 177.7687 28 D 4.3457 8.0132 118.8362 57.2687 40.9582 178.1414 29 E 3.9179 8.1636 119.4057 59.1354 29.5586 178.6321 30 V 3.5196 7.8742 118.2691 66.3208 31.4556 178.2971 31 R 3.9349 7.9204 117.3959 59.1846 29.9009 179.0901 32 I 3.6866 8.1154 119.9852 64.5723 37.0872 178.5948 33 L 4.0022 8.3616 120.0753 57.7663 41.3891 179.4194 34 M 3.7150 8.1437 118.6944 58.3824 31.6589 178.7277 35 A 4.1495 8.0287 119.5525 54.7509 18.5175 178.3402 36 N 4.7601 7.7753 113.1770 53.2106 38.6752 175.9216 37 G 3.8311 7.7911 108.0610 45.2289 0.0000 174.1344 38 A 3.9256 7.7432 122.2943 51.7523 19.0086 177.6862 39 D 4.4883 8.4205 121.3015 53.2721 41.3653 177.7137 40 V 3.6076 8.3318 126.8673 63.8291 31.6537 176.4763 41 N 4.7937 8.1499 117.0910 52.6012 38.7961 174.5936 42 A 3.8703 7.8193 122.2790 52.7518 18.7274 177.6711 43 N 4.8662 8.4143 118.4901 51.6200 38.9318 173.6846 44 D 4.8273 8.2557 121.3292 53.5156 42.4763 175.9535 45 W 4.7022 7.1352 119.5639 55.5709 30.0086 174.5287 46 F 4.1222 9.1639 123.7898 58.2916 36.3221 177.4940 47 G 3.9512 8.5104 105.6013 45.7561 0.0000 174.4116 48 I 3.7942 7.9726 121.9045 61.0981 37.3569 176.5644 49 T 4.7566 8.1814 117.7298 58.9841 71.9903 173.5775 50 P 4.1772 0.0000 0.0000 65.7093 31.0974 178.7646 51 L 3.9277 7.8081 118.6285 58.3709 42.0380 178.3944 52 H 4.2041 7.9521 115.6675 59.0990 28.4093 177.8107 53 L 4.0712 7.8521 120.3557 57.7850 41.1850 179.7345 54 V 3.6025 8.0691 118.3568 65.6561 31.5463 178.2456 55 V 3.6473 8.1948 118.6733 65.7792 31.0873 177.2428 56 N 4.3171 8.2649 116.2962 56.9518 38.9081 175.9500 57 N 4.6105 7.7527 114.1696 53.0757 38.9499 176.2581 58 G 3.7146 7.6064 107.8759 46.3858 0.0000 174.5782 59 H 4.4376 7.5354 117.9583 54.8190 28.1768 175.5220 60 L 3.9800 8.4294 128.5682 58.1081 42.1601 178.4646 61 E 3.9951 8.1226 117.2129 59.4608 29.7147 178.9694 62 I 3.8232 7.7430 113.5691 63.3055 37.7293 178.1073 63 I 3.6326 7.4063 121.2430 64.4052 36.9708 177.9215 64 E 3.7449 7.8907 120.1455 59.1975 29.5487 179.2029 65 V 3.6415 7.7140 112.2453 64.3973 31.5640 178.5644 66 L 4.1324 8.0661 118.7525 57.7156 41.4257 179.5666 67 L 3.8383 7.8081 118.9903 57.6952 41.2350 179.7565 68 K 4.1604 7.6972 117.2706 59.2008 31.9289 178.0202 69 Y 4.4331 7.5461 114.4827 57.1452 37.8895 175.0147 70 A 3.7050 7.9928 121.1535 52.7418 16.6887 178.5161 71 A 3.9191 8.0246 122.8027 53.5356 19.1732 177.9381 72 D 4.4089 8.6903 122.4002 54.2125 40.9753 177.2483 73 V 3.7556 8.4217 127.3827 63.8214 31.7435 176.7299 74 N 4.9276 8.0714 116.7031 52.5588 39.3053 174.3092 75 A 4.1401 7.9907 122.5632 52.3487 18.8850 177.5598 76 S 5.3168 8.5423 117.5908 56.2863 65.4797 174.5078 77 D 4.8760 8.7310 123.9727 52.5923 41.1996 176.7103 78 K 3.8486 7.9344 117.3669 60.0179 31.9521 178.7817 79 S 3.8531 7.8677 112.5940 58.9513 62.6508 175.4991 80 G 4.1675 8.0292 108.9960 45.7635 0.0000 173.3685 81 W 4.0961 8.2698 120.9195 56.4288 29.6564 176.3613 82 T 5.5517 8.4336 115.7318 59.3107 71.5107 173.7362 83 P 4.2769 0.0000 0.0000 65.6082 31.0727 178.7732 84 L 3.9069 7.8087 118.8246 58.1701 42.1187 178.2157 85 H 3.7682 7.5046 116.6127 58.9979 28.6395 177.5450 86 L 4.2417 7.8463 120.9663 57.9539 41.9397 178.7930 87 A 4.0292 8.0135 120.9123 54.7344 18.0335 179.3788 88 A 3.8192 7.8944 118.7566 55.6296 18.6400 178.8714 89 Y 4.3240 7.7212 116.5979 60.6549 38.8393 177.8248 90 R 4.0104 7.8522 117.8230 55.5214 30.7814 175.8352 91 G 3.7364 7.9839 106.0298 47.7532 0.0000 174.1210 92 H 4.7551 7.8923 116.5415 53.0994 31.3050 173.9370 93 L 3.9304 8.5136 128.1310 58.2129 41.7315 178.2529 94 E 3.9318 8.3150 117.1341 59.9397 29.1974 179.1671 95 I 3.8855 7.6847 119.8194 63.6469 37.6196 178.3256 96 V 3.6257 7.8178 120.0239 64.9134 30.8843 178.2945 97 E 3.7993 8.2012 119.0808 59.1474 29.3837 179.2048 98 V 3.7415 7.4446 111.6572 64.8621 31.7544 178.5883 99 L 4.0157 7.7475 117.7197 58.0352 41.4693 179.7428 100 L 3.7974 7.7173 118.5867 57.6181 41.2136 179.6918 101 K 4.1707 8.1683 117.2818 58.5182 31.9739 177.9260 102 Y 4.4587 7.5415 114.9992 57.3566 38.1292 175.9170 103 G 4.0087 7.8878 108.1322 45.3420 0.0000 174.0799 104 A 3.9501 7.6096 122.3595 51.6915 18.7548 178.0521 105 D 4.5347 8.5525 122.5375 53.5291 40.9605 176.6920 106 V 3.8311 8.3975 127.1492 63.6997 32.1390 176.1856 107 N 5.0049 8.5104 119.0621 52.6295 39.2776 174.1936 108 A 4.4024 8.0786 120.6633 52.1786 19.3050 177.0556 109 M 5.1589 8.4508 118.5437 53.3455 33.3416 175.9110 110 D 5.1739 8.8052 122.8707 52.0184 41.0497 176.2871 111 Y 4.4104 8.3756 114.2011 59.3410 37.7481 176.1975 112 Q 4.2876 9.2869 120.1765 55.6738 29.1285 178.2307 113 G 3.8341 7.6567 105.4137 46.4931 0.0000 174.6397 114 Y 4.7959 7.2294 117.3040 57.8420 38.8337 174.2516 115 T 5.3287 8.3079 112.0992 57.8986 73.3632 173.1517 116 P 4.1072 0.0000 0.0000 65.1179 31.0568 178.9220 117 L 3.8486 7.7776 119.0791 58.4449 42.0874 178.1085 118 H 4.0959 7.7879 115.8310 59.3901 28.5352 177.5024 119 L 3.9329 7.6087 119.8372 57.2427 41.5139 179.2002 120 A 3.9840 8.0404 120.4037 54.2581 18.2484 179.5423 121 A 4.0023 7.7309 119.7831 55.3115 18.6921 179.4799 122 E 3.8966 8.2054 115.9380 59.2197 29.5324 178.5427 123 D 5.0066 7.8943 116.8315 52.6367 42.5559 173.6014 124 G 3.6768 8.5320 111.4046 45.5267 0.0000 171.6252 125 H 4.6177 8.9657 121.9395 53.1976 32.0542 173.4703 126 L 4.3165 8.0142 127.9102 56.1580 41.8896 177.8789 127 E 3.9386 8.0663 117.7341 59.9153 29.8134 179.8357 128 I 3.8543 7.7238 119.2824 64.0604 37.4184 178.4002 129 V 3.6719 7.5225 119.4353 65.2278 30.8946 177.8887 130 E 3.9622 8.1397 118.6778 59.1854 29.1034 179.2046 131 V 3.6862 7.6695 118.3038 66.1482 31.9875 178.0620 132 L 4.1766 8.0740 118.5766 57.8629 41.4970 179.4488 133 L 3.9952 8.1119 118.6548 58.0495 41.3860 179.7034 134 K 3.9636 7.9857 117.3613 59.6811 32.0582 177.5479 135 Y 4.3319 7.7744 113.6594 57.2190 39.0710 175.5825 136 G 3.5018 8.5080 106.8868 45.7835 0.0000 174.8996 137 A 4.8775 7.3853 119.0796 49.3618 19.9934 176.4727 138 D 4.3014 8.8962 122.6811 55.4408 41.1333 176.6743 139 V 3.8576 8.3562 127.0760 64.9902 31.9162 176.4860 140 N 4.5668 8.2130 114.9131 53.7855 38.1256 175.2549 141 A 4.2636 8.1837 123.7337 52.0327 19.3193 176.3571 142 Q 5.6593 8.5255 117.4464 52.7420 32.0786 176.7618 143 D 4.8913 8.4122 117.6892 53.2182 39.7969 175.7174 144 K 4.1940 8.5405 116.6958 59.9720 33.8139 177.9563 145 F 4.0966 9.1141 116.5443 58.4845 37.2453 176.8576 146 G 4.4446 5.3800 111.0003 45.6125 0.0000 174.3197 147 K 4.9292 8.1962 118.6510 53.4455 34.1455 177.2266 148 T 4.4112 9.1085 114.8463 61.6965 69.1814 174.9399 149 A 5.0024 7.7101 134.3468 52.5510 19.8097 178.4151 150 F 4.5613 8.2825 115.9385 60.7468 39.6917 176.0300 151 D 4.5020 8.2090 120.6981 56.2823 41.0643 175.7533 152 I 4.6903 7.0822 110.4406 58.7882 36.6834 173.7593 153 S 4.4029 6.9714 120.1687 60.0150 65.1563 175.8446 154 I 3.8969 7.2744 117.9495 63.0510 38.6614 177.6751 155 D 4.6740 7.7674 118.7624 55.2165 40.3035 176.3950 156 N 4.6952 7.3010 112.8663 53.2413 42.7039 173.8523 157 G 4.3779 8.1005 117.9822 46.8762 0.0000 172.6504 158 N 4.4596 8.1913 124.9115 51.7323 38.0179 174.7922 159 E 4.2330 8.5427 115.9197 58.9528 30.3558 178.8385 160 D 4.4132 8.0414 119.2966 56.7777 41.3228 177.5244 161 L 4.6912 7.4729 118.0394 53.0910 39.5969 173.8447 162 A 5.3237 8.1317 126.7449 54.9918 26.3000 177.5875 163 E 4.0953 8.0904 112.8056 59.4770 29.5809 178.4677 164 I 4.0746 7.7296 117.8840 62.6112 38.2973 176.1428 165 L 4.2784 7.7677 121.9760 54.9747 42.8434 176.0551 166 Q 3.5675 8.6205 124.6481 57.7286 31.1709 176.3072 *167 K 4.1215 7.9715 121.5174 54.7451 32.4458 177.1269 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 11 G 8.34 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 12 S 7.76 4.45 0.00 4.04 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 13 D 9.33 4.33 0.00 2.80 2.67 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 0.00 0.00 0.00 0.00 14 L 7.94 4.06 0.00 1.68 1.64 0.93 0.90 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 15 G 7.81 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 16 K 7.71 3.82 0.00 1.87 1.89 0.00 1.74 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.68 1.63 7.81 17 K 7.82 3.99 0.00 1.89 1.82 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.56 7.81 18 L 7.55 3.83 0.00 1.74 1.68 0.82 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.02 3.60 0.00 0.98 0.13 0.14 0.31 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 20 E 8.10 4.19 0.00 2.31 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 2.39 2.44 0.00 21 A 8.27 4.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.19 3.90 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 R 8.22 3.92 0.00 2.22 2.38 0.00 3.27 0.00 0.00 3.58 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.88 0.00 24 A 8.40 4.29 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 25 G 7.61 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 26 Q 8.09 4.38 0.00 2.29 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 27 D 8.19 4.41 0.00 2.78 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 28 D 8.01 4.35 0.00 2.77 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 29 E 8.16 3.92 0.00 2.07 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 0.00 2.37 2.42 0.00 30 V 7.87 3.52 2.26 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 1.01 0.00 0.00 0.98 0.00 0.00 31 R 7.92 3.93 0.00 2.11 2.00 0.00 3.20 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.86 0.00 32 I 8.12 3.69 1.99 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 0.93 0.90 0.00 0.00 33 L 8.36 4.00 0.00 1.77 1.62 0.93 0.99 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 34 M 8.14 3.72 0.00 1.08 2.04 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.77 0.00 35 A 8.03 4.15 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 36 N 7.78 4.76 0.00 2.69 2.82 0.00 0.00 7.22 7.24 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 37 G 7.79 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 7.74 3.93 1.24 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 39 D 8.42 4.49 0.00 2.71 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 40 V 8.33 3.61 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 0.85 0.00 0.00 0.88 0.00 0.00 41 N 8.15 4.79 0.00 2.81 2.83 0.00 0.00 6.90 6.66 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 42 A 7.82 3.87 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 N 8.41 4.87 0.00 2.74 2.75 0.00 0.00 5.93 8.06 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 44 D 8.26 4.83 0.00 2.41 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 45 W 7.14 4.70 0.00 3.07 2.41 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 0.00 46 F 9.16 4.12 0.00 3.30 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 47 G 8.51 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 0.00 0.00 0.00 48 I 7.97 3.79 2.13 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.05 1.04 0.00 0.00 49 T 8.18 4.76 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 1.33 0.00 0.00 50 P 0.00 4.18 0.00 2.10 2.06 0.00 3.64 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.98 0.00 51 L 7.81 3.93 0.00 1.72 1.62 0.87 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 52 H 7.95 4.20 0.00 3.52 3.44 0.00 5.87 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 53 L 7.85 4.07 0.00 1.89 1.78 0.96 0.85 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 54 V 8.07 3.60 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 0.97 0.00 0.00 55 V 8.19 3.65 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 1.00 0.00 0.00 0.97 0.00 0.00 56 N 8.26 4.32 0.00 2.99 3.05 0.00 0.00 7.27 8.22 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 57 N 7.75 4.61 0.00 2.47 2.62 0.00 0.00 7.13 7.38 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 58 G 7.61 3.71 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 0.00 59 H 7.54 4.44 0.00 3.12 3.27 0.00 5.66 0.00 0.00 0.00 0.00 6.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.43 3.98 0.00 1.90 1.68 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.12 4.00 0.00 2.24 2.20 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 2.36 2.36 0.00 62 I 7.74 3.82 1.88 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 1.84 0.97 0.93 0.00 0.00 63 I 7.41 3.63 2.07 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 1.38 1.00 0.85 0.00 0.00 64 E 7.89 3.74 0.00 1.96 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 2.28 0.00 65 V 7.71 3.64 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 1.02 0.00 0.00 1.11 0.00 0.00 66 L 8.07 4.13 0.00 1.81 1.69 0.88 0.35 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 67 L 7.81 3.84 0.00 1.03 0.80 0.49 0.42 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 68 K 7.70 4.16 0.00 1.79 1.78 0.00 1.75 0.00 0.00 1.67 0.00 0.00 3.10 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.58 1.58 7.81 69 Y 7.55 4.43 0.00 3.25 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 70 A 7.99 3.71 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 71 A 8.02 3.92 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 72 D 8.69 4.41 0.00 2.74 2.61 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 73 V 8.42 3.76 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 0.87 0.00 0.00 1.01 0.00 0.00 74 N 8.07 4.93 0.00 2.76 2.86 0.00 0.00 6.94 7.36 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 75 A 7.99 4.14 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 76 S 8.54 5.32 0.00 4.11 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 77 D 8.73 4.88 0.00 3.05 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 78 K 7.93 3.85 0.00 1.67 1.77 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.61 1.63 7.81 79 S 7.87 3.85 0.00 3.70 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 80 G 8.03 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 0.00 0.00 0.00 0.00 81 W 8.27 4.10 0.00 3.67 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 82 T 8.43 5.55 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 1.38 0.00 0.00 83 P 0.00 4.28 0.00 2.13 2.08 0.00 3.70 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 2.16 1.89 0.00 84 L 7.81 3.91 0.00 1.69 1.57 0.83 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 85 H 7.50 3.77 0.00 3.33 2.15 0.00 5.87 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 86 L 7.85 4.24 0.00 2.04 1.98 1.17 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 87 A 8.01 4.03 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 88 A 7.89 3.82 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 89 Y 7.72 4.32 0.00 2.84 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 90 R 7.85 4.01 0.00 2.02 1.93 0.00 3.52 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 91 G 7.98 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 92 H 7.89 4.76 0.00 3.19 3.23 0.00 5.82 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 L 8.51 3.93 0.00 1.68 1.67 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.32 3.93 0.00 2.25 2.26 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 2.42 2.50 0.00 95 I 7.68 3.89 2.01 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 1.68 0.88 0.90 0.00 0.00 96 V 7.82 3.63 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 0.83 0.00 0.00 0.86 0.00 0.00 97 E 8.20 3.80 0.00 2.22 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 2.33 2.59 0.00 98 V 7.44 3.74 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 1.02 0.00 0.00 99 L 7.75 4.02 0.00 1.85 1.69 0.88 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 100 L 7.72 3.80 0.00 1.28 0.37 0.57 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.17 4.17 0.00 1.99 1.74 0.00 1.58 0.00 0.00 1.76 0.00 0.00 3.19 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.49 1.56 7.81 102 Y 7.54 4.46 0.00 3.00 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 0.00 103 G 7.89 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 0.00 104 A 7.61 3.95 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 0.00 105 D 8.55 4.53 0.00 2.67 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 0.00 106 V 8.40 3.83 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 0.91 0.00 0.00 0.96 0.00 0.00 107 N 8.51 5.00 0.00 2.74 2.81 0.00 0.00 6.71 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 0.00 108 A 8.08 4.40 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 0.00 109 M 8.45 5.16 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 110 D 8.81 5.17 0.00 3.39 2.87 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 0.00 111 Y 8.38 4.41 0.00 2.94 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 0.00 112 Q 9.29 4.29 0.00 2.02 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.95 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 113 G 7.66 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 Y 7.23 4.80 0.00 3.39 2.87 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 0.00 115 T 8.31 5.33 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 1.32 0.00 0.00 116 P 0.00 4.11 0.00 2.06 1.98 0.00 3.61 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.72 0.00 117 L 7.78 3.85 0.00 1.71 1.58 0.92 1.06 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 0.00 118 H 7.79 4.10 0.00 3.50 3.14 0.00 5.68 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 0.00 119 L 7.61 3.93 0.00 1.64 1.60 0.52 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 120 A 8.04 3.98 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 0.00 121 A 7.73 4.00 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 0.00 122 E 8.21 3.90 0.00 1.93 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 2.22 2.21 0.00 123 D 7.89 5.01 0.00 2.74 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 8.53 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 0.00 0.00 0.00 125 H 8.97 4.62 0.00 3.39 3.17 0.00 5.81 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.01 4.32 0.00 1.76 1.53 0.94 0.97 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 0.00 127 E 8.07 3.94 0.00 2.10 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 0.00 2.42 2.52 0.00 128 I 7.72 3.85 1.90 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 1.70 0.89 0.89 0.00 0.00 129 V 7.52 3.67 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 0.97 0.00 0.00 0.95 0.00 0.00 130 E 8.14 3.96 0.00 2.24 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 2.35 2.51 0.00 131 V 7.67 3.69 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 0.92 0.00 0.00 1.09 0.00 0.00 132 L 8.07 4.18 0.00 1.99 1.72 0.95 0.38 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 0.00 133 L 8.11 4.00 0.00 1.87 1.73 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 134 K 7.99 3.96 0.00 1.93 1.76 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.54 7.81 135 Y 7.77 4.33 0.00 3.06 3.01 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 0.00 136 G 8.51 3.50 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 0.00 0.00 0.00 0.00 137 A 7.39 4.88 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 0.00 138 D 8.90 4.30 0.00 2.65 2.67 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 0.00 0.00 0.00 0.00 139 V 8.36 3.86 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 0.94 0.00 0.00 1.01 0.00 0.00 140 N 8.21 4.57 0.00 2.90 2.94 0.00 0.00 6.00 7.26 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 0.00 141 A 8.18 4.26 1.41 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 0.00 0.00 0.00 142 Q 8.53 5.66 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.73 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 143 D 8.41 4.89 0.00 2.54 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 8.54 4.19 0.00 1.82 2.20 0.00 1.59 0.00 0.00 1.91 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.55 7.81 145 F 9.11 4.10 0.00 3.10 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 0.00 146 G 5.38 4.44 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 0.00 147 K 8.20 4.93 0.00 2.08 1.77 0.00 1.99 0.00 0.00 1.86 0.00 0.00 3.13 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.42 7.81 148 T 9.11 4.41 4.53 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 1.36 0.00 0.00 149 A 7.71 5.00 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 0.00 150 F 8.28 4.56 0.00 2.98 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 0.00 151 D 8.21 4.50 0.00 2.87 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 0.00 152 I 7.08 4.69 1.82 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 1.31 0.68 0.87 0.00 0.00 153 S 6.97 4.40 0.00 3.40 3.50 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 0.00 154 I 7.27 3.90 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.54 0.88 0.00 0.00 155 D 7.77 4.67 0.00 2.60 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 0.00 156 N 7.30 4.70 0.00 2.64 2.71 0.00 0.00 6.98 7.86 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 0.00 157 G 8.10 4.38 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 0.00 158 N 8.19 4.46 0.00 2.91 2.98 0.00 0.00 7.20 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 0.00 159 E 8.54 4.23 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.30 0.00 160 D 8.04 4.41 0.00 2.68 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 0.00 161 L 7.47 4.69 0.00 1.81 1.73 0.94 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 162 A 8.13 5.32 1.50 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 0.00 0.00 0.00 163 E 8.09 4.10 0.00 2.13 2.15 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 2.58 2.34 0.00 164 I 7.73 4.07 1.89 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 1.31 0.60 0.92 0.00 0.00 165 L 7.77 4.28 0.00 1.74 1.83 1.02 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 166 Q 8.62 3.57 0.00 1.89 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.42 0.00 0.00 0.00 0.00 0.00 2.28 2.24 0.00 *167 K 7.97 4.12 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.