NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.2610 8.3101 121.7985 56.0223 33.5023 175.0395 4 A 4.2146 8.1917 128.7117 51.3886 20.0351 174.6010 5 K 5.1042 9.6112 122.2483 54.6526 35.7938 173.5094 6 I 5.0250 9.1324 125.8511 59.3805 40.2897 175.1772 7 G 4.2034 9.2129 115.5596 46.0501 0.0000 172.4954 8 I 5.1447 9.2289 124.3843 59.4024 41.0936 174.5068 9 V 4.6556 8.9938 128.0704 61.3893 34.0788 174.4886 10 T 4.6136 8.7595 126.3713 62.6254 69.5575 174.1148 11 V 4.6836 8.3958 128.1265 61.5315 33.7450 174.5559 12 S 4.8060 8.9491 119.1570 56.9302 66.3792 176.8752 13 D 4.4132 8.9753 128.8681 57.7295 40.7731 179.3211 14 R 3.8898 7.9387 117.4718 59.3706 29.9873 178.9199 15 A 4.0532 7.8632 119.1102 55.0293 18.4177 179.2625 16 S 4.1317 8.0304 110.8525 61.5332 62.5402 176.0461 17 A 4.2713 7.8385 122.6157 52.7842 18.2328 175.7437 18 G 3.3263 6.0452 102.4103 44.0649 0.0000 172.9896 19 I 4.6963 7.7802 125.2907 58.9954 41.4796 173.9425 20 Y 4.2973 8.8818 127.3648 60.4107 38.6877 176.2094 21 E 4.5273 7.7929 113.4641 54.2527 32.1845 175.1387 22 D 4.7316 8.2855 120.4383 52.9146 40.3267 176.6688 23 I 3.7649 7.9385 120.0409 63.3336 37.8874 178.4211 24 S 4.1869 8.1781 116.8104 61.5042 62.8695 176.3019 25 G 3.9979 8.6972 109.8751 47.1317 0.0000 175.3934 26 K 3.8190 8.1070 121.7447 59.1488 32.2250 178.5748 27 A 3.9732 8.1126 121.0203 55.2618 18.2007 179.6880 28 I 3.5901 7.7779 118.0974 64.5857 37.1394 178.7113 29 I 3.9113 7.8877 120.6226 64.6408 36.8786 178.3199 30 D 4.3243 8.4808 120.0826 57.5434 40.6186 178.9631 31 T 3.4186 7.8253 116.2033 66.4575 68.4191 176.6952 32 L 3.3821 7.6603 120.8137 57.5982 41.2766 179.2531 33 N 4.6242 8.2715 115.6212 56.5981 38.5754 176.7896 34 D 4.5049 7.9472 119.2994 57.6088 41.1709 178.2654 35 Y 4.4535 7.8796 117.1652 59.3756 37.7677 175.7219 36 L 5.0779 7.4740 119.8094 53.5623 42.8941 176.4876 37 T 4.4825 8.7483 115.2117 63.5990 69.8454 175.8996 38 S 4.5440 8.1264 115.5838 57.9398 64.1359 173.9970 39 E 4.5375 8.8164 121.0313 56.2652 30.4310 175.9035 40 W 5.7472 8.5048 119.6085 55.0071 32.0265 173.5875 41 E 4.4388 9.3574 122.0687 53.5808 31.6996 173.0733 42 P 5.1812 0.0000 0.0000 62.7891 32.8669 175.7175 43 I 4.4472 9.0612 124.7227 59.9937 39.0673 173.7672 44 Y 5.3929 8.6881 128.5217 55.8591 40.9061 174.7200 45 Q 4.3292 8.7994 124.6930 53.8848 33.3516 174.2154 46 V 4.6517 8.0175 122.2531 61.1132 33.2975 174.6628 47 I 4.8405 8.9000 121.1063 58.2263 41.4604 173.0896 48 P 4.7471 0.0000 0.0000 61.8073 32.5711 176.8991 49 D 4.6308 8.6901 120.9608 53.6184 38.9430 176.7944 50 E 4.5579 7.6113 118.6170 53.6764 33.0308 175.7512 51 Q 3.9521 8.7245 125.5541 59.5538 29.1712 177.9965 52 D 4.3735 8.1204 119.1390 57.5004 40.8503 179.0130 53 V 3.5975 7.6685 118.1080 65.8622 31.6454 177.9638 54 I 3.6737 7.8749 119.5916 64.4056 36.9811 177.9728 55 E 3.9531 8.4454 119.7192 60.0067 29.3243 179.6742 56 T 3.8703 7.9569 115.3285 66.9284 68.2634 176.8793 57 T 3.8437 7.7761 116.3888 66.6460 68.6017 176.4572 58 L 4.1382 7.7611 119.4511 57.8291 41.9469 179.4137 59 I 3.9028 7.8816 119.6958 64.1051 37.0453 179.1990 60 K 3.9663 8.0045 117.3075 57.1262 31.7674 178.0231 *62 A 4.2720 7.8761 121.1943 51.8707 20.3337 178.7412 63 D 4.5388 8.6286 114.5124 56.5836 41.1736 177.4322 64 E 4.4859 8.1861 116.4684 56.7205 31.0524 176.7373 65 Q 4.4382 8.0395 114.4030 54.6329 29.6700 174.4569 66 D 4.3106 7.9867 116.0684 55.2015 39.6200 173.5825 67 C 4.6147 8.0863 115.5143 59.3365 28.7718 173.9813 68 C 4.3962 8.7657 121.0711 60.4207 30.6121 173.5217 69 L 5.2795 7.8567 120.2511 53.1546 45.6615 175.1776 70 I 5.0885 9.0085 125.8081 59.6505 40.9579 174.6157 71 V 4.9953 9.0110 120.5895 59.7129 34.8035 174.9689 72 T 5.1429 8.6464 114.6375 60.3126 71.6121 173.1049 73 T 5.0427 8.5175 117.1230 60.5322 70.6548 174.0638 74 G 3.9374 8.6183 114.1609 47.5639 0.0000 172.4138 75 G 3.8404 8.7337 105.3823 47.0271 0.0000 174.9222 76 T 4.4827 7.9941 106.5355 60.8144 69.8073 174.0477 77 G 3.9617 8.0826 112.2979 44.1031 0.0000 171.7864 78 P 4.4036 0.0000 0.0000 63.5742 32.2253 176.4300 79 A 4.1239 7.7711 122.8307 51.9764 18.9693 178.0270 80 K 3.8586 8.7454 121.8376 59.6382 32.2085 178.0721 81 R 4.1898 7.7898 113.9959 56.5698 30.3362 176.3689 82 D 4.5992 8.0149 119.7762 54.0717 39.8732 176.4445 83 V 4.9892 7.9005 115.0877 59.7765 33.4089 178.2711 84 T 3.8809 8.2761 120.0908 66.3150 68.1365 174.8735 85 P 4.4031 0.0000 0.0000 65.4865 30.8765 178.3820 86 E 4.0887 8.2175 116.7570 59.5267 29.3068 179.1100 87 A 4.2030 7.9273 120.4791 55.4707 18.5175 179.9049 88 T 3.8147 7.9737 114.2083 66.9081 68.3475 176.9269 89 E 3.9931 8.4285 119.4598 59.2816 29.4904 179.0034 90 A 4.1190 7.9539 120.2586 54.6259 18.5268 179.2589 91 V 4.0156 7.4296 108.8349 61.1746 32.5740 175.9938 92 C 4.6667 7.3191 116.7672 58.3158 29.1249 173.6764 93 D 4.5361 8.3526 123.8618 55.3055 39.8387 176.5069 94 R 4.6098 7.3695 117.3044 53.8136 34.3306 173.6508 *97 P 4.6346 0.0000 0.0000 62.7350 33.3841 179.0748 98 G 3.6739 8.1629 105.5991 48.4674 0.0000 175.5340 99 F 4.0377 8.4079 118.9519 60.4666 39.2159 177.2633 100 G 3.9207 8.2615 103.5718 47.9430 0.0000 174.7721 101 E 4.2071 8.0055 120.7402 59.0776 29.4961 180.4655 102 L 3.9837 7.6834 118.1861 55.5827 42.0107 178.7399 *104 R 4.2166 8.0135 117.6089 55.7333 32.1134 177.6255 105 A 3.9858 8.1369 118.3208 55.3810 18.5599 179.3195 106 E 4.0155 8.3642 116.9383 59.6626 29.5970 179.5122 107 S 4.3501 8.1395 112.7052 61.3688 62.2698 175.7055 108 L 4.2470 8.1914 122.3128 57.5896 41.8219 178.7238 109 K 3.9091 7.5894 117.4197 58.6404 31.8331 178.4652 110 F 4.7255 7.7343 116.8952 57.9710 40.2659 176.6993 111 V 4.5716 7.1768 110.7948 58.1100 35.3014 174.8710 112 P 4.4539 0.0000 0.0000 65.3510 31.2856 178.0011 113 T 4.2433 7.8450 107.9630 62.4850 68.8265 175.5240 114 A 4.0184 8.0318 125.5805 55.6745 18.1372 179.3036 115 I 3.9448 7.2357 107.8096 62.7421 37.8432 177.5302 116 L 4.2401 7.8302 120.3607 55.3174 42.0043 176.8972 117 S 4.2641 7.5779 114.8011 58.3895 62.7424 173.7367 118 R 4.5791 8.8266 126.0592 55.9113 30.2330 176.0884 119 Q 4.0820 7.7052 117.2290 57.4826 29.3738 176.3188 120 T 4.8214 9.1174 116.3779 61.2993 71.6325 171.6245 121 A 4.8764 8.1509 121.6094 51.3437 22.3344 175.4826 122 G 3.9496 8.3025 105.5781 46.0256 0.0000 171.9603 123 L 5.2231 8.7568 119.9064 52.7162 44.7396 176.4471 124 R 4.6143 8.8034 124.2794 55.0600 31.5625 176.2885 125 G 3.7529 8.2234 118.3291 47.1702 0.0000 173.2046 126 D 4.6371 8.8744 124.2115 53.0871 39.8386 175.6087 127 S 4.8430 8.0076 117.7818 57.3256 64.8769 172.9102 128 L 4.6808 8.5017 127.3064 54.2869 43.6271 175.1614 129 I 4.9649 8.7742 127.1247 59.4633 40.2978 174.6090 130 V 4.5478 8.6510 126.7151 61.0049 34.5574 173.8563 131 N 5.4868 8.9311 125.9445 51.9983 39.4066 174.8771 132 L 4.8299 8.9086 124.4186 52.4010 44.9720 175.2299 133 P 4.6236 0.0000 0.0000 62.4411 33.1907 175.6226 134 G 3.8521 8.5269 105.4323 47.7558 0.0000 175.5726 135 K 4.0914 7.8225 120.4446 55.2648 33.4082 175.7860 136 P 4.2049 0.0000 0.0000 65.7021 31.3215 178.4252 137 K 3.8110 8.0374 117.5554 59.9087 32.0887 178.8178 138 S 4.2938 7.9656 114.6653 61.4208 62.6878 176.4865 139 I 3.6791 8.3454 122.9257 64.4749 36.8802 178.3664 140 R 3.8596 7.9672 119.3142 59.5035 29.7659 178.3675 141 E 4.0260 8.2245 118.3686 59.4576 29.5758 178.7453 142 C 4.1585 8.6022 119.0219 62.7134 31.7169 175.5943 143 L 4.2264 8.3267 120.6876 58.1144 41.0221 179.2458 144 D 4.5843 8.5785 118.0706 57.3680 40.7870 178.5566 145 A 4.1625 7.7756 120.5516 54.7929 18.8760 179.2986 146 V 3.9295 7.7531 109.6181 62.8747 32.3526 178.2765 147 F 4.0138 8.7976 121.0667 60.7078 39.1533 175.2343 148 P 4.1490 0.0000 0.0000 64.7981 31.6181 177.2963 149 A 4.4599 7.9005 118.9833 52.9244 18.9963 179.3507 150 I 3.6106 7.5096 119.4060 63.7362 37.1999 176.4562 151 P 4.0332 0.0000 0.0000 65.6539 31.1504 177.9206 152 Y 4.3560 7.8929 117.7541 60.8824 38.5179 177.3757 153 C 3.8794 7.7395 118.2013 62.7268 31.8359 175.4507 154 I 3.8025 7.8338 121.2486 64.2031 36.4039 177.8918 155 D 4.4290 7.8258 118.9857 57.2957 41.0512 180.6051 156 L 4.1300 7.2778 119.1460 54.1124 41.5885 177.2325 *158 E 4.1227 8.2095 114.0595 56.2686 31.0577 176.4060 159 G 4.0781 7.9196 109.5517 43.0490 0.0000 172.3844 160 P 4.2766 0.0000 0.0000 63.0032 31.4835 175.7284 161 Y 4.2509 8.4381 121.8389 56.5064 38.0818 174.7879 162 L 4.3188 8.0363 127.9092 54.3969 42.7574 176.4300 163 E 4.8488 9.2062 122.6512 54.7792 32.5479 174.9223 164 C 5.3546 8.5880 120.2424 57.7100 32.0177 173.6516 165 N 4.6009 9.2122 120.8298 53.2825 38.3005 175.6935 166 E 4.6457 9.1742 125.8219 58.0849 29.8209 178.1389 167 A 4.2753 7.9220 120.0876 53.0059 19.0356 177.7090 168 V 4.2479 8.0839 114.7666 63.6869 33.5478 175.7165 169 I 4.4560 7.3325 118.0486 59.1678 40.6990 173.4058 170 K 4.3646 8.2837 126.2999 53.9507 32.7195 173.5142 171 P 4.5709 0.0000 0.0000 62.9398 32.1982 175.4788 172 F 4.5774 8.6606 125.5087 57.2361 40.5531 175.6980 173 R 3.5206 7.1427 123.3905 56.0639 30.5481 175.1005 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 8.31 4.26 0.00 1.77 1.83 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.52 7.81 4 A 8.19 4.21 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 5 K 9.61 5.10 0.00 1.94 1.78 0.00 1.67 0.00 0.00 1.97 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.49 7.81 6 I 9.13 5.02 2.17 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 1.22 1.01 0.99 0.00 0.00 7 G 9.21 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 8 I 9.23 5.14 2.18 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.87 1.10 0.00 0.00 9 V 8.99 4.66 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 1.04 0.00 0.00 0.93 0.00 0.00 10 T 8.76 4.61 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 1.31 0.00 0.00 11 V 8.40 4.68 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 1.00 0.00 0.00 0.93 0.00 0.00 12 S 8.95 4.81 0.00 3.87 3.67 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 13 D 8.98 4.41 0.00 2.73 2.72 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 14 R 7.94 3.89 0.00 1.86 1.99 0.00 3.13 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 15 A 7.86 4.05 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.03 4.13 0.00 3.94 4.04 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 17 A 7.84 4.27 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 18 G 6.05 3.33 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 0.00 19 I 7.78 4.70 1.90 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 1.46 1.03 0.96 0.00 0.00 20 Y 8.88 4.30 0.00 2.99 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 21 E 7.79 4.53 0.00 2.00 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 2.43 2.37 0.00 22 D 8.29 4.73 0.00 2.90 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 23 I 7.94 3.76 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 1.67 0.62 0.95 0.00 0.00 24 S 8.18 4.19 0.00 4.05 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 25 G 8.70 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.11 3.82 0.00 1.93 1.99 0.00 1.57 0.00 0.00 1.57 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.58 7.81 27 A 8.11 3.97 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 28 I 7.78 3.59 2.06 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.71 0.93 0.00 0.00 29 I 7.89 3.91 1.96 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.82 0.96 0.00 0.00 30 D 8.48 4.32 0.00 2.65 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 31 T 7.83 3.42 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 0.29 0.00 0.00 32 L 7.66 3.38 0.00 1.41 0.53 0.55 0.21 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 33 N 8.27 4.62 0.00 2.97 2.97 0.00 0.00 7.10 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 34 D 7.95 4.50 0.00 2.58 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 35 Y 7.88 4.45 0.00 2.67 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 36 L 7.47 5.08 0.00 1.70 1.67 0.18 0.88 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 37 T 8.75 4.48 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 38 S 8.13 4.54 0.00 4.03 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 39 E 8.82 4.54 0.00 2.02 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 2.44 2.37 0.00 40 W 8.50 5.75 0.00 3.46 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 41 E 9.36 4.44 0.00 1.98 1.84 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 2.17 2.13 0.00 42 P 0.00 5.18 0.00 2.16 2.14 0.00 3.42 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.56 0.00 43 I 9.06 4.45 1.95 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 1.20 0.97 1.00 0.00 0.00 44 Y 8.69 5.39 0.00 2.88 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 45 Q 8.80 4.33 0.00 1.83 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.19 2.36 0.00 46 V 8.02 4.65 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 0.79 0.00 0.00 0.71 0.00 0.00 47 I 8.90 4.84 1.84 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 1.23 1.11 0.85 0.00 0.00 48 P 0.00 4.75 0.00 2.15 2.10 0.00 3.73 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 49 D 8.69 4.63 0.00 2.93 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 E 7.61 4.56 0.00 1.91 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 2.27 2.25 0.00 51 Q 8.72 3.95 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.87 0.00 0.00 0.00 0.00 0.00 2.59 2.46 0.00 52 D 8.12 4.37 0.00 2.72 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.63 4.54 0.00 2.72 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 64 E 8.19 4.49 0.00 2.13 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 2.25 2.24 0.00 65 Q 8.04 4.44 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.84 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 66 D 7.99 4.31 0.00 2.75 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 67 C 8.09 4.61 0.00 3.03 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 68 C 8.77 4.40 0.00 3.04 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.86 5.28 0.00 1.71 1.50 0.96 1.05 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 70 I 9.01 5.09 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 L 8.91 4.83 0.00 1.71 1.60 0.97 0.77 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 0.00 133 P 0.00 4.62 0.00 2.18 2.13 0.00 3.53 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 134 G 8.53 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 K 7.82 4.09 0.00 1.80 1.73 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.53 7.81 136 P 0.00 4.20 0.00 2.13 2.11 0.00 3.61 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.33 0.00 137 K 8.04 3.81 0.00 1.76 1.74 0.00 1.60 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.45 7.81 138 S 7.97 4.29 0.00 4.04 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 0.00 139 I 8.35 3.68 2.03 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 0.84 0.90 0.00 0.00 140 R 7.97 3.86 0.00 1.89 2.04 0.00 3.15 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 141 E 8.22 4.03 0.00 2.22 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 2.38 2.31 0.00 142 C 8.60 4.16 0.00 3.07 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 0.00 143 L 8.33 4.23 0.00 1.84 2.02 0.87 1.55 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 0.00 144 D 8.58 4.58 0.00 2.90 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 0.00 145 A 7.78 4.16 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 0.00 146 V 7.75 3.93 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 0.82 0.00 0.00 1.23 0.00 0.00 147 F 8.80 4.01 0.00 3.30 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 0.00 148 P 0.00 4.15 0.00 2.19 2.23 0.00 3.65 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 149 A 7.90 4.46 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 0.00 150 I 7.51 3.61 1.03 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.75 0.57 0.00 0.00 151 P 0.00 4.03 0.00 1.99 1.89 0.00 3.36 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.87 0.00 152 Y 7.89 4.36 0.00 3.14 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 0.00 153 C 7.74 3.88 0.00 3.20 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 0.00 154 I 7.83 3.80 1.91 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.50 0.92 0.00 0.00 155 D 7.83 4.43 0.00 2.70 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 0.00 156 L 7.28 4.13 0.00 1.56 1.53 0.55 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 *158 E 8.21 4.12 0.00 1.98 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 2.21 2.30 0.00 159 G 7.92 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 P 0.00 4.28 0.00 2.27 2.14 0.00 3.78 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 161 Y 8.44 4.25 0.00 2.95 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 0.00 162 L 8.04 4.32 0.00 1.58 1.61 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 163 E 9.21 4.85 0.00 1.97 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 2.49 2.49 0.00 164 C 8.59 5.35 0.00 2.84 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 0.00 165 N 9.21 4.60 0.00 2.78 2.79 0.00 0.00 7.48 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 E 9.17 4.65 0.00 2.01 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 2.33 2.29 0.00 167 A 7.92 4.28 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 0.00 168 V 8.08 4.25 2.28 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 0.96 0.00 0.00 0.98 0.00 0.00 169 I 7.33 4.46 1.50 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.94 0.61 0.00 0.00 170 K 8.28 4.36 0.00 1.87 1.80 0.00 1.64 0.00 0.00 1.77 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.38 7.81 171 P 0.00 4.57 0.00 2.03 2.06 0.00 3.75 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 172 F 8.66 4.58 0.00 3.00 2.92 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 0.00 173 R 7.14 3.52 0.00 1.40 1.52 0.00 3.18 0.00 0.00 3.30 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.47 0.00 * Residues marked with a * may have inaccurate shift predictions.