NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 A 4.2575 8.2649 122.4507 52.0551 20.8913 177.3844 18 Y 3.7984 7.2659 113.1163 57.5764 38.9085 173.4697 19 S 4.9531 9.0779 120.7408 56.6651 66.3705 173.0123 20 F 5.2173 9.1950 123.9230 55.5266 42.1922 174.1998 21 K 4.5917 8.7639 124.8475 55.2123 33.8793 175.0515 22 V 4.7876 8.6342 127.5606 61.1674 34.2061 174.8169 23 V 4.5156 8.4590 122.0322 60.8372 33.4196 174.9245 24 L 4.9972 8.7463 126.7233 53.4176 44.0069 174.9935 25 L 4.4893 10.1561 126.5113 52.4525 44.7786 175.1331 26 G 4.6196 7.7618 108.3666 43.6020 0.0000 172.9897 27 E 4.3843 8.7465 121.7656 55.3673 30.7530 178.1666 28 G 3.9950 9.0145 110.6844 49.2135 0.0000 175.2605 29 C 4.3745 8.0255 112.2947 59.8740 29.9252 174.5021 30 V 3.8602 7.8760 113.1190 61.7485 31.5074 176.7051 31 G 3.9342 8.3189 109.0270 46.2448 0.0000 175.9271 32 K 3.9540 8.1581 122.2152 60.0620 32.2164 178.8431 33 T 3.8938 7.8099 116.3571 66.4739 68.5605 176.4817 34 S 4.0790 8.1129 114.6113 61.2228 62.3391 175.8618 35 L 3.9513 7.7084 123.0839 58.3800 41.9309 179.2789 36 V 3.8101 7.8987 118.1228 65.6923 31.1941 178.0272 37 L 3.9569 8.0809 118.5620 57.6820 41.5494 178.9553 38 R 4.0978 8.1472 117.3519 59.7542 30.1652 178.0794 39 Y 4.2593 7.6631 116.6932 59.6619 39.0317 176.3388 40 C 3.6610 8.6252 118.8507 61.8348 27.8819 175.1982 *50 T 4.3563 8.6460 120.1285 61.2594 71.3395 177.3008 51 T 3.9129 7.9622 116.5539 64.2215 68.8865 173.6305 52 L 4.1232 8.7187 128.9128 57.5692 42.4399 176.5981 53 Q 4.6325 7.6472 112.6564 54.8186 31.4013 173.4549 54 A 4.7759 8.3742 119.9271 52.3121 20.0986 177.2437 55 S 4.6221 9.3261 118.3119 60.9366 65.1180 174.3574 56 F 5.2433 8.4114 121.0055 56.2704 41.3219 174.3986 57 L 4.8129 8.1608 125.2569 53.1190 46.0349 175.5986 58 T 4.7698 8.1722 110.8011 59.9795 72.5041 172.9217 59 K 4.4849 9.1371 125.6446 55.5094 36.0967 175.4043 60 K 5.0134 8.6369 130.5251 53.9217 32.9444 173.3977 61 L 4.9593 9.5209 125.9410 51.9255 45.9803 175.3578 62 N 5.6243 8.6889 117.8890 51.6942 41.9829 173.7626 63 I 4.5243 9.2288 125.7517 60.0993 39.9818 176.0583 64 G 4.1668 9.5736 116.6836 46.9417 0.0000 173.1392 65 G 3.9276 8.3632 104.1676 46.3453 0.0000 173.7650 66 K 4.5958 7.9761 123.7624 53.0763 33.9396 180.2365 67 R 5.2650 8.3773 124.0151 54.9538 31.1804 172.9229 68 V 4.5215 9.5481 124.2133 60.5324 34.9243 173.8918 69 N 4.9756 9.1347 126.3636 52.0692 39.9783 173.7109 70 L 5.0365 9.2092 127.3326 53.3376 44.3955 174.8072 71 A 5.0002 8.8935 128.0086 50.2624 21.9531 174.7730 72 I 4.7246 9.3472 125.4316 60.0675 39.0772 175.2880 73 W 5.0903 9.4919 129.2835 54.8232 30.1784 175.2999 74 D 4.7742 9.3352 126.3763 54.3612 41.3626 175.4871 75 T 3.6005 7.9333 115.1241 58.9416 71.2173 173.8265 76 A 4.0777 7.9412 127.7090 52.5669 18.5664 177.8610 77 G 4.1374 8.7443 111.7053 46.2811 0.0000 174.1021 78 Q 4.2288 8.2263 119.8334 55.6887 29.7146 176.7031 79 E 3.9844 9.0932 122.7453 59.4159 29.6781 179.2735 80 R 3.8384 7.8456 113.3196 58.5427 29.4464 176.9247 81 F 5.1385 7.8689 116.6918 57.7496 38.9422 177.0224 82 H 4.4278 8.5881 123.8342 59.3800 29.3362 176.6201 83 A 3.9630 8.0164 119.6502 53.4557 18.9100 178.2652 84 L 4.3394 8.1955 117.4647 55.5986 41.9663 178.7181 85 G 3.4606 7.5076 106.1069 47.5295 0.0000 173.5240 86 P 4.2475 0.0000 0.0000 65.1747 31.1375 178.6098 87 I 3.6484 7.2169 116.7399 64.6923 37.1187 177.7727 88 Y 4.4812 7.5694 115.4476 61.4599 38.1307 177.8683 89 Y 4.6245 7.9540 118.6072 58.3088 37.8921 175.7758 90 R 4.0251 7.1942 119.6117 58.1956 30.2945 175.6052 91 D 4.5317 8.9973 122.8021 55.0144 38.6810 174.2478 92 S 4.1512 7.8806 115.8859 59.0686 63.5054 174.6026 93 N 4.7671 9.2428 120.2854 54.4513 40.5420 174.8878 94 G 4.3638 7.6615 103.7798 45.1363 0.0000 171.6297 95 A 5.1548 8.9244 120.9044 50.2159 23.1664 175.3922 96 I 4.5875 8.9116 123.2306 59.6035 40.0022 174.9108 97 L 4.8376 9.1278 129.1470 53.1720 43.1911 175.8535 98 V 4.8794 8.5343 125.1921 61.5326 33.0295 174.4410 99 Y 5.1201 8.9348 124.8678 55.3713 42.3780 173.2635 100 D 5.1475 9.1420 119.9889 52.2823 42.6076 177.2266 101 I 3.9795 8.4958 120.5252 63.4169 37.6945 177.3694 102 T 4.3460 8.2218 110.0892 61.8809 69.4554 174.3143 103 D 4.7184 8.3081 122.9545 51.5348 42.1721 175.4157 104 E 4.1191 8.7229 126.1476 59.3115 29.5114 178.6476 105 D 4.3647 8.2181 120.0443 57.1935 40.3364 178.7338 106 S 4.1933 8.2574 114.4834 61.2963 62.8731 176.4534 107 F 3.8691 8.1533 123.9010 60.9298 38.7285 176.6251 108 Q 3.6381 8.1069 119.2277 59.1435 28.7577 178.5939 109 K 3.3530 7.7140 119.3393 59.0717 31.8734 179.3192 110 V 3.8336 7.0695 117.6801 66.1233 31.3212 178.1557 111 K 4.0858 6.9728 119.0553 58.9425 31.7582 179.1086 112 N 4.3299 7.5812 115.9772 55.9315 38.3407 177.5217 113 W 4.5434 8.0030 120.4621 59.7775 29.1571 178.5603 114 V 3.6143 8.3659 118.5999 66.0975 30.7451 177.9901 115 K 3.9442 7.6673 116.5277 59.7102 32.2124 178.8189 116 E 4.2338 8.1906 118.0733 59.5917 29.0455 179.4211 117 L 3.9581 8.2368 119.2339 57.6902 41.4240 179.2571 118 R 4.2247 8.0039 115.7942 57.2579 30.1958 177.1674 119 K 4.4703 7.5797 117.4797 56.2017 32.3371 175.8434 120 M 4.3082 7.5339 119.7084 54.0282 32.4258 176.0090 121 L 3.9605 8.5831 126.4724 54.8589 42.7706 176.9806 122 G 3.7523 8.5084 114.2219 44.4590 0.0000 171.9758 123 N 4.4731 8.1800 118.1741 52.1713 37.9601 174.1673 124 E 3.9530 8.4955 120.3317 56.1432 29.8800 176.5189 125 I 3.8503 8.1679 127.8663 61.4746 38.1118 175.5886 126 C 4.2836 8.7705 125.2263 59.6078 29.2336 172.5483 127 L 4.9184 8.4569 124.3573 53.4760 43.7608 175.3236 128 C 5.4446 9.0894 121.0663 58.0545 31.5700 172.9120 129 I 4.9396 9.0713 125.0962 59.8351 39.0330 174.8495 130 V 4.5628 9.2521 128.9016 61.0090 33.8997 175.1488 131 G 3.1568 8.6760 117.3710 45.1448 0.0000 172.0122 132 N 5.0448 8.5244 126.4998 51.6255 41.2007 174.0956 133 K 4.2653 8.6123 117.3804 57.5040 28.6898 177.7877 134 I 3.8902 7.7009 111.8891 62.6715 38.1855 176.8210 135 D 4.5653 8.0815 120.6802 54.9093 39.8356 176.6650 136 L 5.1230 7.9140 124.0648 54.9918 42.3518 179.1258 137 E 4.0756 8.4489 118.7937 59.1442 30.0894 181.3795 138 K 4.1901 8.1498 117.9733 57.4063 31.8389 182.0317 139 E 4.7376 7.8708 116.1690 55.9465 29.7381 176.2647 140 R 4.3206 7.8848 115.4563 56.5557 30.1915 175.8587 141 H 4.7647 9.2631 116.4905 55.5285 30.9174 174.3801 142 V 4.1032 7.6262 119.2944 60.6892 32.5890 175.9824 143 S 4.3295 8.2213 122.6138 58.0606 65.0372 175.0599 144 I 3.6715 8.2572 124.7277 64.8248 36.9767 178.7103 145 Q 3.9475 7.9848 118.2708 58.8839 28.5466 178.3737 146 E 3.9047 8.4001 120.2922 59.1574 29.5997 178.7458 147 A 3.9944 7.7038 120.7472 55.2930 18.4594 179.5541 148 E 3.8622 8.2799 117.2928 59.4910 29.3074 179.5502 149 S 4.0832 7.9704 112.3318 61.2856 62.8608 175.2101 150 Y 4.1887 8.5600 122.4919 60.6448 38.5590 177.6652 151 A 3.8892 8.4344 124.2618 56.1215 18.5533 179.8750 152 E 3.8828 8.1831 116.6527 61.4971 29.4693 181.5375 153 S 4.3748 7.5991 113.3956 60.2976 62.9769 176.0534 154 V 4.2405 7.0533 113.5825 60.1480 31.9989 175.6357 155 G 3.7469 7.5344 105.0712 46.4496 0.0000 174.0368 156 A 4.6265 7.9527 121.5375 50.2856 21.2389 177.2854 157 K 4.5518 8.5059 117.2772 54.9218 35.4365 175.2267 158 H 5.4289 8.3825 122.4434 54.7599 32.1532 172.9878 159 Y 4.7665 8.4861 121.1436 56.5828 42.2680 173.7554 160 H 5.4251 8.8062 119.1175 54.5862 30.9610 173.9623 161 T 4.8965 8.5355 111.1379 60.2010 73.1473 173.0887 162 S 4.4737 9.0090 116.3267 56.4765 64.5640 174.2347 163 A 4.0238 8.8342 132.0317 54.9608 18.6185 179.3989 164 K 3.7873 8.4230 118.2725 60.0382 32.1104 178.0081 165 Q 4.4387 8.1853 115.9708 54.3443 28.9514 177.8055 166 N 4.2657 7.4262 113.4457 54.5767 35.3946 178.1123 167 K 4.6256 8.2650 119.8663 56.0128 35.3469 178.5564 168 G 4.1179 8.7536 110.0892 47.2530 0.0000 175.6958 169 I 3.6971 7.8777 122.9586 65.0951 37.1971 178.4177 170 E 4.1396 8.2325 118.4937 61.3578 29.5451 180.6195 171 E 4.1675 8.2153 119.4420 59.0629 29.5508 178.8934 172 L 2.9574 7.5895 120.0974 58.1746 42.0115 179.2526 173 F 3.8096 7.4609 117.4977 59.9859 38.7355 177.4459 174 L 3.9578 8.0177 120.1011 58.3708 41.8882 178.6077 175 D 4.3205 8.2176 117.9847 57.1846 41.0766 177.8666 176 L 3.8314 7.8113 120.8017 58.2582 41.9651 178.7626 177 C 3.9098 8.0072 116.5343 62.6666 28.0978 175.8582 178 K 3.7915 7.9137 120.0672 59.9732 31.5017 179.4255 179 R 4.0224 7.9461 116.6934 59.5740 30.0098 178.8253 180 M 3.8800 7.7291 117.8939 57.7040 31.7985 178.7124 181 I 3.5727 7.5621 119.8345 64.3667 37.4108 176.4532 182 E 4.2275 7.7391 122.2234 56.8402 29.4952 177.1010 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 17 A 8.26 4.26 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 7.27 3.80 0.00 2.64 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 S 9.08 4.95 0.00 3.63 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 F 9.20 5.22 0.00 2.97 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 21 K 8.76 4.59 0.00 1.64 1.51 0.00 0.61 0.00 0.00 1.25 0.00 0.00 2.33 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.94 0.21 7.81 22 V 8.63 4.79 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 0.85 0.00 0.00 0.94 0.00 0.00 23 V 8.46 4.52 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 0.67 0.00 0.00 0.86 0.00 0.00 24 L 8.75 5.00 0.00 1.77 1.50 0.91 0.44 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 25 L 10.16 4.49 0.00 1.13 0.13 0.61 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 26 G 7.76 4.62 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 0.00 0.00 0.00 27 E 8.75 4.38 0.00 2.19 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 2.56 2.60 0.00 28 G 9.01 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 29 C 8.03 4.37 0.00 3.13 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 30 V 7.88 3.86 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 0.80 0.00 0.00 1.18 0.00 0.00 31 G 8.32 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 0.00 0.00 0.00 32 K 8.16 3.95 0.00 2.00 2.11 0.00 1.59 0.00 0.00 1.87 0.00 0.00 3.04 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.56 7.81 33 T 7.81 3.89 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 1.23 0.00 0.00 34 S 8.11 4.08 0.00 3.90 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 35 L 7.71 3.95 0.00 1.91 1.93 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 36 V 7.90 3.81 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 1.03 0.00 0.00 1.15 0.00 0.00 37 L 8.08 3.96 0.00 1.71 1.71 0.93 1.20 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 38 R 8.15 4.10 0.00 2.09 2.11 0.00 3.23 0.00 0.00 3.38 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.75 0.00 39 Y 7.66 4.26 0.00 2.67 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 40 C 8.63 3.66 0.00 2.82 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 *50 T 8.65 4.36 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 51 T 7.96 3.91 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 1.23 0.00 0.00 52 L 8.72 4.12 0.00 1.58 1.69 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 53 Q 7.65 4.63 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.28 0.00 0.00 0.00 0.00 0.00 2.23 2.43 0.00 54 A 8.37 4.78 1.25 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 0.00 0.00 0.00 55 S 9.33 4.62 0.00 3.77 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 56 F 8.41 5.24 0.00 2.79 2.83 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 57 L 8.16 4.81 0.00 1.46 1.33 0.89 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 58 T 8.17 4.77 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 1.04 0.00 0.00 59 K 9.14 4.48 0.00 1.66 1.61 0.00 1.10 0.00 0.00 0.64 0.00 0.00 2.66 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.06 1.25 7.81 60 K 8.64 5.01 0.00 1.57 1.59 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.65 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.29 1.02 7.81 61 L 9.52 4.96 0.00 1.57 1.61 1.07 -0.50 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 62 N 8.69 5.62 0.00 2.62 2.72 0.00 0.00 6.67 7.32 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 63 I 9.23 4.52 1.92 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 1.28 1.07 0.94 0.00 0.00 64 G 9.57 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 65 G 8.36 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 0.00 0.00 0.00 66 K 7.98 4.60 0.00 1.69 1.68 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.28 1.22 7.81 67 R 8.38 5.27 0.00 1.50 1.83 0.00 3.23 0.00 0.00 3.22 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.03 0.00 68 V 9.55 4.52 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 1.12 0.00 0.00 1.09 0.00 0.00 69 N 9.13 4.98 0.00 2.72 2.78 0.00 0.00 6.10 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 L 9.21 5.04 0.00 1.85 1.77 1.09 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 71 A 8.89 5.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 I 9.35 4.72 1.86 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.27 1.02 0.00 0.00 73 W 9.49 5.09 0.00 3.25 3.31 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 74 D 9.34 4.77 0.00 2.67 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 75 T 7.93 3.60 3.14 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 0.00 0.00 0.00 0.85 0.00 0.00 76 A 7.94 4.08 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.74 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 8.23 4.23 0.00 2.19 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.79 0.00 0.00 0.00 0.00 0.00 2.53 2.52 0.00 79 E 9.09 3.98 0.00 2.03 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 2.35 2.36 0.00 80 R 7.85 3.84 0.00 1.62 1.84 0.00 2.55 0.00 0.00 2.94 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.50 0.00 81 F 7.87 5.14 0.00 3.41 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 82 H 8.59 4.43 0.00 3.45 3.40 0.00 5.78 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 8.02 3.96 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.20 4.34 0.00 1.88 1.61 1.02 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 85 G 7.51 3.46 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 0.00 0.00 0.00 86 P 0.00 4.25 0.00 2.14 2.18 0.00 3.60 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.29 0.00 87 I 7.22 3.65 1.75 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.38 0.79 0.00 0.00 88 Y 7.57 4.48 0.00 2.86 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 89 Y 7.95 4.62 0.00 3.01 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 90 R 7.19 4.03 0.00 1.97 1.90 0.00 3.39 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 91 D 9.00 4.53 0.00 2.82 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 S 7.88 4.15 0.00 3.83 3.84 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 93 N 9.24 4.77 0.00 2.74 2.80 0.00 0.00 6.76 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 94 G 7.66 4.36 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 0.00 95 A 8.92 5.15 1.03 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 0.00 0.00 96 I 8.91 4.59 1.74 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.43 0.69 0.00 0.00 97 L 9.13 4.84 0.00 1.69 1.79 0.93 0.80 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 98 V 8.53 4.88 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 0.76 0.00 0.00 0.90 0.00 0.00 99 Y 8.93 5.12 0.00 3.16 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 0.00 100 D 9.14 5.15 0.00 2.76 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 0.00 101 I 8.50 3.98 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 1.50 0.66 0.88 0.00 0.00 102 T 8.22 4.35 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 103 D 8.31 4.72 0.00 2.65 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 0.00 104 E 8.72 4.12 0.00 2.22 2.24 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 2.39 2.36 0.00 105 D 8.22 4.36 0.00 2.90 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 0.00 106 S 8.26 4.19 0.00 4.24 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 0.00 107 F 8.15 3.87 0.00 2.76 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 0.00 108 Q 8.11 3.64 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 109 K 7.71 3.35 0.00 1.63 0.74 0.00 1.60 0.00 0.00 1.18 0.00 0.00 2.88 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.00 1.37 7.81 110 V 7.07 3.83 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 1.08 0.00 0.00 1.23 0.00 0.00 111 K 6.97 4.09 0.00 1.53 1.53 0.00 1.26 0.00 0.00 0.81 0.00 0.00 2.43 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.30 0.29 7.81 112 N 7.58 4.33 0.00 2.55 2.74 0.00 0.00 7.01 7.55 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 0.00 113 W 8.00 4.54 0.00 3.61 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 0.00 114 V 8.37 3.61 2.38 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 1.08 0.00 0.00 1.12 0.00 0.00 115 K 7.67 3.94 0.00 1.97 1.92 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.69 7.81 116 E 8.19 4.23 0.00 2.43 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 0.00 2.49 2.73 0.00 117 L 8.24 3.96 0.00 1.72 1.59 0.67 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 118 R 8.00 4.22 0.00 2.01 1.98 0.00 3.29 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.80 0.00 119 K 7.58 4.47 0.00 1.92 1.85 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.63 7.81 120 M 7.53 4.31 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.96 0.00 121 L 8.58 3.96 0.00 1.60 1.61 0.93 1.11 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 0.00 122 G 8.51 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 0.00 0.00 0.00 123 N 8.18 4.47 0.00 2.85 2.86 0.00 0.00 5.83 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 0.00 124 E 8.50 3.95 0.00 1.93 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 125 I 8.17 3.85 1.81 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 1.49 0.62 0.81 0.00 0.00 126 C 8.77 4.28 0.00 2.76 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 0.00 127 L 8.46 4.92 0.00 1.57 1.56 0.89 0.81 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 0.00 128 C 9.09 5.44 0.00 2.68 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 0.00 129 I 9.07 4.94 2.11 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.01 1.35 0.00 0.00 130 V 9.25 4.56 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 0.93 0.00 0.00 0.81 0.00 0.00 131 G 8.68 3.16 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 0.00 132 N 8.52 5.04 0.00 2.74 2.77 0.00 0.00 7.09 5.73 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 0.00 133 K 8.61 4.27 0.00 2.01 1.89 0.00 2.17 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.35 7.81 134 I 7.70 3.89 1.86 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 1.45 0.52 1.01 0.00 0.00 135 D 8.08 4.57 0.00 2.85 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 0.00 136 L 7.91 5.12 0.00 1.78 1.66 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 137 E 8.45 4.08 0.00 1.98 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 2.23 1.88 0.00 138 K 8.15 4.19 0.00 1.77 1.76 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.04 7.81 139 E 7.87 4.74 0.00 1.94 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 2.25 2.21 0.00 140 R 7.88 4.32 0.00 2.07 1.94 0.00 2.99 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 141 H 9.26 4.76 0.00 3.06 3.40 0.00 5.65 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 V 7.63 4.10 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 -0.05 0.00 0.00 0.82 0.00 0.00 143 S 8.22 4.33 0.00 4.04 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 0.00 144 I 8.26 3.67 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.58 0.95 0.00 0.00 145 Q 7.98 3.95 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 146 E 8.40 3.90 0.00 1.95 1.86 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 2.17 2.36 0.00 147 A 7.70 3.99 1.19 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 0.00 148 E 8.28 3.86 0.00 2.06 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 149 S 7.97 4.08 0.00 3.88 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 Y 8.56 4.19 0.00 3.30 3.45 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 0.00 151 A 8.43 3.89 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 0.00 152 E 8.18 3.88 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 2.25 2.21 0.00 153 S 7.60 4.37 0.00 3.97 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 0.00 154 V 7.05 4.24 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 0.53 0.00 0.00 0.62 0.00 0.00 155 G 7.53 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 0.00 0.00 0.00 156 A 7.95 4.63 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 0.00 157 K 8.51 4.55 0.00 1.76 1.35 0.00 1.81 0.00 0.00 1.12 0.00 0.00 2.64 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.20 1.29 7.81 158 H 8.38 5.43 0.00 3.14 3.05 0.00 5.67 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 Y 8.49 4.77 0.00 2.73 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 0.00 160 H 8.81 5.43 0.00 3.09 3.19 0.00 5.56 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 T 8.54 4.90 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 1.16 0.00 0.00 162 S 9.01 4.47 0.00 3.86 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 0.00 163 A 8.83 4.02 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 0.00 164 K 8.42 3.79 0.00 1.71 1.87 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.52 7.81 165 Q 8.19 4.44 0.00 2.10 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.31 0.00 0.00 0.00 0.00 0.00 2.21 2.14 0.00 166 N 7.43 4.27 0.00 2.83 2.69 0.00 0.00 6.72 7.29 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 0.00 167 K 8.27 4.63 0.00 1.80 1.72 0.00 1.66 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.35 7.81 168 G 8.75 4.12 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 0.00 169 I 7.88 3.70 1.96 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 1.57 1.00 1.18 0.00 0.00 170 E 8.23 4.14 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 1.98 0.00 171 E 8.22 4.17 0.00 2.21 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 0.00 2.45 2.47 0.00 172 L 7.59 2.96 0.00 1.24 1.48 -0.19 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 173 F 7.46 3.81 0.00 2.27 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 0.00 174 L 8.02 3.96 0.00 1.98 1.83 0.99 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 0.00 175 D 8.22 4.32 0.00 2.99 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 0.00 176 L 7.81 3.83 0.00 1.61 1.61 0.81 0.62 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 0.00 177 C 8.01 3.91 0.00 3.20 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 0.00 178 K 7.91 3.79 0.00 2.00 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.75 7.81 179 R 7.95 4.02 0.00 1.81 1.91 0.00 3.32 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 180 M 7.73 3.88 0.00 0.51 0.97 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.32 0.00 181 I 7.56 3.57 1.84 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.35 0.79 0.00 0.00 182 E 7.74 4.23 0.00 2.11 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 * Residues marked with a * may have inaccurate shift predictions.