NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7883 8.2893 120.6143 55.5582 33.4791 174.3630 2 I 4.5159 8.1197 119.1509 58.1754 40.9773 173.5296 3 A 4.3440 9.2375 125.7116 51.8283 19.5561 179.8063 4 L 4.0285 8.8069 121.7720 58.4165 42.1835 179.8306 5 S 4.1739 8.1242 113.6970 61.4649 62.7826 176.4012 6 Q 3.9981 8.0146 121.1570 58.7470 28.3564 178.2207 7 F 4.2566 8.0974 120.3298 61.5748 39.5125 176.5950 8 N 4.3197 8.4239 115.0875 56.0080 38.4217 176.7707 9 S 4.4387 7.5426 113.6522 58.2745 63.5808 174.7133 10 L 4.1681 6.7362 122.0401 54.0823 42.1241 177.5638 11 S 4.3331 8.8099 116.3007 58.0014 64.9635 175.4935 12 K 3.7948 8.5161 121.9210 60.0498 31.7862 179.2598 13 D 4.4221 7.9809 118.3495 57.0701 40.9053 178.5114 14 E 3.9741 8.3522 119.0488 59.3970 29.5943 179.2782 15 A 4.0885 8.2827 120.7829 55.0617 18.4394 179.5512 16 A 4.1526 8.1536 119.5351 55.2952 18.2340 180.1165 17 G 3.6242 8.0251 103.3993 47.8360 0.0000 175.4093 18 L 4.1931 7.8617 121.8687 57.9209 42.4368 178.6754 19 L 4.3160 8.1569 117.9466 56.8302 41.7841 178.7935 20 A 4.1193 8.0019 121.3246 55.0721 18.0846 177.8155 21 P 4.4459 0.0000 0.0000 65.0060 31.7454 178.2709 22 C 4.3246 8.4096 116.8911 61.6181 28.2247 173.9079 23 V 4.2607 6.6963 114.1626 60.7717 34.3107 173.6022 24 A 4.3490 8.2641 126.5395 51.2749 17.3372 179.5287 25 L 4.5974 7.1485 121.4948 50.7032 43.8588 175.8065 26 P 4.3706 0.0000 0.0000 65.5231 31.3425 177.9372 27 A 4.0806 8.0804 119.1320 54.7426 18.4328 179.3307 28 W 4.3344 8.4573 126.6662 60.6205 30.8604 178.4466 29 G 3.5948 8.4855 105.1877 48.0526 0.0000 175.3520 30 E 4.0145 8.6292 121.7617 59.1224 29.1623 179.6916 31 T 3.8589 7.7219 115.1612 66.6230 68.7214 176.3191 32 L 4.1861 7.4929 120.6279 57.8084 41.4602 179.7482 33 V 3.6030 8.0082 118.5028 66.0597 31.2641 178.2436 34 S 4.1725 8.0934 112.5446 60.5314 62.9331 175.3264 35 L 4.3075 7.1202 120.6626 53.6266 41.9280 176.9572 36 R 3.3742 6.6918 118.8927 55.0768 30.6226 174.6515 37 P 4.5900 0.0000 0.0000 62.2196 32.5358 175.3771 38 F 4.7334 8.9011 118.9833 56.0801 40.3434 176.3715 39 A 4.3503 8.7263 127.6621 54.0529 19.2401 177.7994 40 S 4.7303 7.7029 109.4464 55.8906 67.1330 174.9778 41 R 3.7929 8.5807 122.8270 59.8494 29.7887 178.0803 42 H 4.0352 8.3239 117.3005 59.4185 29.7926 176.8448 43 A 3.9214 7.8998 121.8716 54.8865 18.1311 179.2699 44 L 2.8629 7.7501 118.8256 58.1147 42.0683 179.3349 45 L 3.8746 7.9328 119.0060 57.6965 41.4784 179.5076 46 Q 3.9198 8.1335 118.2202 59.3201 28.6185 179.0458 47 T 3.8812 8.0158 116.4746 66.5053 68.0109 176.5719 48 A 3.9880 8.1059 122.8605 55.2214 18.2771 179.9261 49 R 3.7952 8.1415 116.6243 59.3089 29.9137 178.8766 50 E 3.8673 7.9672 117.7804 59.2824 29.7449 178.5720 51 A 4.1799 8.1732 119.7079 54.1884 18.8356 178.3110 52 M 2.6927 7.4236 113.1920 54.7678 31.6704 177.8560 53 A 3.8195 7.3343 123.1846 55.0169 18.6396 177.9753 54 N 4.8695 7.7898 110.1247 52.7093 38.8859 175.1095 55 W 4.5624 7.9103 119.2886 57.2045 29.8883 175.8772 56 G 4.4773 9.3101 112.6025 43.6813 0.0000 172.6283 57 E 3.9282 8.8078 117.8932 59.4614 29.4893 179.4738 58 D 4.3208 8.0534 118.5304 57.4515 40.8684 178.4887 59 E 3.7861 8.0154 118.6010 58.9005 29.5451 178.9071 60 L 3.7351 7.7717 120.4661 58.1378 41.9595 178.7094 61 N 4.2316 8.0510 114.9573 56.3300 38.6694 176.9553 62 A 4.0510 7.8875 121.7746 55.1629 18.2672 179.6035 63 A 3.9448 7.8145 118.1777 54.5138 18.7533 178.8542 64 L 4.1446 7.5904 115.4326 54.6047 41.9173 178.6802 65 S 4.0302 7.5173 114.5207 60.8694 62.8837 175.1262 66 A 4.4813 7.7648 120.2807 51.7964 19.2024 176.2941 67 H 4.2758 7.9365 115.2079 54.8284 29.0105 173.9157 68 P 4.3920 0.0000 0.0000 63.1120 31.9277 176.5920 69 R 4.4559 9.0168 122.2888 54.3730 31.6597 175.8319 70 I 3.8377 8.2280 120.1760 63.4690 37.1829 177.3154 71 G 3.9625 8.9696 112.7600 45.7374 0.0000 173.5019 72 E 4.3974 7.9058 117.6263 56.3259 30.3542 176.4040 73 K 4.0891 7.8194 116.2431 56.6475 34.4818 177.4958 *93 S 4.2831 8.3299 115.8629 58.4473 66.1926 174.5479 94 E 3.9486 8.4388 121.4302 59.5589 29.1361 179.1460 95 N 4.2702 8.0741 116.6029 56.6639 39.1053 176.4108 96 E 3.8971 8.0481 120.2853 59.2085 29.7520 178.6887 97 R 3.8717 8.0118 118.8678 59.2225 30.0835 178.3277 98 L 3.8983 8.1746 119.9925 58.1231 42.1778 178.7437 99 A 3.9703 8.1869 120.9593 55.1566 18.2092 179.4096 100 Q 3.8594 8.2705 117.8197 59.3412 29.1107 178.3254 101 A 3.9655 8.0310 121.7968 55.1142 18.3879 179.6636 102 L 3.8620 8.1184 117.6649 57.7642 41.6758 179.7130 103 R 3.8750 8.0131 118.6883 59.5214 30.0903 178.5031 104 E 4.0712 8.5497 118.8805 59.2788 29.4615 179.5142 105 G 3.5747 8.2955 106.0541 47.7931 0.0000 175.2353 106 N 4.2789 8.2278 119.2209 56.2909 39.0508 176.8203 107 A 4.0428 8.0251 122.2415 55.2766 18.5027 179.8533 108 R 3.8767 8.0816 116.5898 59.3689 30.0406 178.6800 109 Y 4.0145 8.1667 119.2588 60.9562 38.9249 178.0284 110 E 4.3951 8.8674 120.6122 58.8861 29.3071 179.2797 111 A 3.9979 7.7297 119.7412 54.8855 18.4660 179.4867 112 R 3.6898 7.7314 116.3791 59.1308 30.3210 177.9751 113 F 4.6836 7.8982 114.6237 56.1465 39.8572 176.0766 114 G 4.0087 8.3919 106.5884 45.7908 0.0000 173.5180 115 R 4.7466 7.6085 113.1506 54.2002 32.4129 174.6588 116 V 3.8050 8.1506 112.2620 61.1673 32.1684 176.0686 117 F 3.6481 8.6389 125.0897 57.5064 39.2080 174.3807 118 L 4.2968 7.5660 130.3741 53.0341 43.1555 175.2245 119 I 4.1789 7.4398 124.8178 58.9823 40.9596 174.0927 120 R 3.9222 9.0818 128.0847 56.2574 29.7424 175.8150 121 A 4.2201 8.4859 129.4419 53.9503 19.5281 177.2451 122 K 4.0352 7.8273 117.1531 58.1176 32.3914 176.8206 123 G 4.0018 9.1792 115.1687 44.9741 0.0000 172.9138 124 R 4.7681 7.6612 119.0488 54.2805 32.1511 176.9477 125 S 4.5894 9.2047 118.3760 57.4288 65.4336 175.7053 126 G 3.6815 8.5550 108.4896 48.1624 0.0000 175.5612 127 E 3.9917 8.1577 120.5419 59.2963 29.5509 179.2650 128 E 4.1540 8.1576 118.2921 59.3958 29.4101 179.4821 129 I 3.7993 8.0134 120.0839 64.2265 37.0950 178.2012 130 L 3.8937 8.1110 121.2502 58.0843 41.9161 178.8286 131 Q 3.9732 8.2900 117.9106 59.0985 28.6994 179.0249 132 A 4.0308 8.0510 121.4374 55.0225 18.4452 179.3393 133 L 3.5623 8.2405 119.1913 58.6071 41.8769 179.3401 134 T 3.8369 7.9219 114.6195 66.5775 68.6791 176.3881 135 R 4.0339 8.0655 120.5580 59.5973 30.2297 178.8666 136 R 3.7308 8.5032 118.0196 58.7777 29.8249 178.8034 137 L 4.4028 7.9521 117.9508 56.8981 41.6731 178.2108 138 Q 4.4292 7.7275 116.1927 55.2895 29.3546 175.6803 139 H 4.6195 7.4304 118.1397 55.6079 29.6396 176.0340 140 T 4.2580 8.5234 112.3460 61.2449 70.7992 175.5554 141 A 4.2395 8.6613 123.7518 55.8196 18.4075 179.8972 142 D 4.3217 8.0799 116.6637 57.5546 40.9850 178.6557 143 E 3.8913 7.9568 119.1878 59.3565 29.3343 179.1068 144 E 3.9447 8.2099 119.4156 58.9897 29.6824 178.8269 145 V 3.4899 7.8463 118.1749 65.9437 31.5431 177.8480 146 A 3.9730 7.8516 120.2564 55.2480 18.1808 179.3047 147 E 3.8621 8.2212 117.6305 59.2400 29.6465 178.7352 148 A 3.8575 8.3047 121.2809 55.1062 18.3156 179.6006 149 L 3.9364 8.0716 117.2397 57.8091 41.7130 179.5080 150 A 3.9780 7.9834 120.7113 55.3779 18.2448 179.7361 151 Q 3.8842 8.2579 116.6729 58.8826 28.6878 178.6923 152 L 3.8916 8.1415 121.5949 58.2737 42.1106 179.2806 153 R 3.8845 8.3870 118.2262 59.3251 30.1187 178.9386 154 E 3.9329 8.2512 118.3161 59.3767 29.4525 179.5495 155 I 3.6800 7.9681 120.0123 64.6454 37.2089 178.5114 156 T 4.0140 7.8901 117.9720 66.3720 68.1705 176.5595 157 M 4.0921 7.9532 120.4320 58.3431 31.7395 178.8418 158 L 3.9644 7.7902 118.7331 57.9107 41.5645 179.8430 159 R 3.9321 7.8861 117.0468 59.0311 30.2776 178.5806 160 L 4.1274 8.1277 120.2992 58.1714 41.9051 178.7836 161 E 4.0682 8.3558 118.0044 59.0228 29.4685 178.8125 162 G 3.8073 7.6947 103.0177 45.6320 0.0000 174.8025 163 A 4.4474 7.9006 122.8701 52.3346 19.4550 176.9306 164 I 4.8104 7.0753 116.6369 59.8521 40.4807 176.2461 165 G 4.0834 8.7658 116.6047 45.4450 0.0000 173.5851 166 E 4.3632 8.6812 120.0824 56.6933 29.2301 177.2637 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 1 M 8.29 4.79 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.54 0.00 2 I 8.12 4.52 2.03 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.22 0.95 0.00 0.00 3 A 9.24 4.34 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 4 L 8.81 4.03 0.00 2.01 1.86 1.03 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 5 S 8.12 4.17 0.00 4.12 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 0.00 6 Q 8.01 4.00 0.00 2.40 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.93 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 7 F 8.10 4.26 0.00 3.02 3.35 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 8 N 8.42 4.32 0.00 2.92 2.85 0.00 0.00 7.08 8.40 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 9 S 7.54 4.44 0.00 3.89 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 10 L 6.74 4.17 0.00 1.54 1.55 1.02 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 11 S 8.81 4.33 0.00 4.02 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 12 K 8.52 3.79 0.00 1.79 1.89 0.00 1.63 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.50 7.81 13 D 7.98 4.42 0.00 2.69 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 14 E 8.35 3.97 0.00 2.24 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 2.34 2.33 0.00 15 A 8.28 4.09 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 16 A 8.15 4.15 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.03 3.62 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 18 L 7.86 4.19 0.00 1.89 2.07 0.99 1.22 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 19 L 8.16 4.32 0.00 2.05 1.93 1.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.00 4.12 1.46 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 21 P 0.00 4.45 0.00 2.06 2.14 0.00 3.89 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 2.06 2.20 0.00 22 C 8.41 4.32 0.00 3.31 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 V 6.70 4.26 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 0.26 0.00 0.00 0.55 0.00 0.00 24 A 8.26 4.35 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 25 L 7.15 4.60 0.00 1.59 1.54 -0.44 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.37 0.00 2.20 2.16 0.00 3.62 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 2.14 2.20 0.00 27 A 8.08 4.08 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 W 8.46 4.33 0.00 3.85 3.65 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 29 G 8.49 3.59 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 30 E 8.63 4.01 0.00 2.12 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 0.00 2.35 2.45 0.00 31 T 7.72 3.86 4.33 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 1.20 0.00 0.00 32 L 7.49 4.19 0.00 1.58 1.70 0.05 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 33 V 8.01 3.60 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 1.04 0.00 0.00 1.01 0.00 0.00 34 S 8.09 4.17 0.00 4.04 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 35 L 7.12 4.31 0.00 1.67 1.62 0.98 0.94 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 R 6.69 3.37 0.00 1.62 1.66 0.00 2.70 0.00 0.00 2.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.85 0.00 37 P 0.00 4.59 0.00 2.12 1.97 0.00 3.59 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.90 0.00 38 F 8.90 4.73 0.00 3.15 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.73 4.35 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 40 S 7.70 4.73 0.00 4.05 3.96 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 41 R 8.58 3.79 0.00 2.03 2.09 0.00 3.33 0.00 0.00 3.42 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 42 H 8.32 4.04 0.00 3.27 3.31 0.00 5.92 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 43 A 7.90 3.92 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 44 L 7.75 2.86 0.00 1.09 1.55 -0.16 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.93 3.87 0.00 1.76 1.63 0.88 1.24 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 46 Q 8.13 3.92 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.20 2.33 0.00 47 T 8.02 3.88 4.34 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 1.35 0.00 0.00 48 A 8.11 3.99 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.14 3.80 0.00 1.99 1.93 0.00 3.09 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.82 0.00 50 E 7.97 3.87 0.00 1.94 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 51 A 8.17 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 52 M 7.42 2.69 0.00 0.90 0.57 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.48 0.00 53 A 7.33 3.82 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 54 N 7.79 4.87 0.00 2.77 2.89 0.00 0.00 6.91 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 55 W 7.91 4.56 0.00 3.41 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 56 G 9.31 4.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.81 3.93 0.00 2.05 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 2.37 2.39 0.00 58 D 8.05 4.32 0.00 2.72 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 59 E 8.02 3.79 0.00 2.06 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 2.22 2.23 0.00 60 L 7.77 3.74 0.00 1.70 1.79 0.82 0.67 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 61 N 8.05 4.23 0.00 2.83 2.84 0.00 0.00 7.08 8.19 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 62 A 7.89 4.05 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 63 A 7.81 3.94 1.02 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 0.00 0.00 64 L 7.59 4.14 0.00 1.63 1.55 0.82 0.31 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 S 7.52 4.03 0.00 3.93 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 0.00 66 A 7.76 4.48 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 67 H 7.94 4.28 0.00 3.32 3.28 0.00 5.70 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 P 0.00 4.39 0.00 2.04 2.01 0.00 3.64 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 69 R 9.02 4.46 0.00 1.99 2.01 0.00 3.37 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 70 I 8.23 3.84 1.90 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 1.26 0.78 0.93 0.00 0.00 71 G 8.97 3.96 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 0.00 0.00 0.00 72 E 7.91 4.40 0.00 2.16 2.00 0.00 0.00 0.00 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 2.29 0.00 73 K 7.82 4.09 0.00 1.71 1.57 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.38 7.81 *93 S 8.33 4.28 0.00 4.07 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 94 E 8.44 3.95 0.00 2.03 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 2.40 2.36 0.00 95 N 8.07 4.27 0.00 2.83 2.81 0.00 0.00 6.83 7.65 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 96 E 8.05 3.90 0.00 2.09 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 2.30 2.31 0.00 97 R 8.01 3.87 0.00 2.11 2.04 0.00 3.14 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 98 L 8.17 3.90 0.00 1.87 1.87 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 99 A 8.19 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 0.00 100 Q 8.27 3.86 0.00 2.23 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 101 A 8.03 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 0.00 102 L 8.12 3.86 0.00 1.83 1.70 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 103 R 8.01 3.87 0.00 1.96 2.06 0.00 3.09 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 104 E 8.55 4.07 0.00 2.07 1.97 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 2.32 2.44 0.00 105 G 8.30 3.57 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 0.00 0.00 0.00 106 N 8.23 4.28 0.00 2.93 3.00 0.00 0.00 7.10 7.39 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 0.00 107 A 8.03 4.04 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 0.00 108 R 8.08 3.88 0.00 2.06 1.98 0.00 3.11 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 109 Y 8.17 4.01 0.00 3.12 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 0.00 110 E 8.87 4.40 0.00 2.16 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 2.81 2.54 0.00 111 A 7.73 4.00 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 0.00 112 R 7.73 3.69 0.00 1.57 1.38 0.00 2.84 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 1.21 0.00 113 F 7.90 4.68 0.00 2.71 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 0.00 114 G 8.39 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 0.00 115 R 7.61 4.75 0.00 2.02 2.06 0.00 3.08 0.00 0.00 3.38 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.03 0.00 116 V 8.15 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 0.84 0.00 0.00 0.91 0.00 0.00 117 F 8.64 3.65 0.00 2.35 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 0.00 118 L 7.57 4.30 0.00 1.39 1.27 0.80 0.92 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 0.00 119 I 7.44 4.18 1.16 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.92 0.83 0.00 0.00 120 R 9.08 3.92 0.00 1.74 1.89 0.00 3.50 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 121 A 8.49 4.22 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 0.00 122 K 7.83 4.04 0.00 1.71 1.73 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.38 7.81 123 G 9.18 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 0.00 124 R 7.66 4.77 0.00 1.87 1.85 0.00 3.33 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.76 0.00 125 S 9.20 4.59 0.00 4.02 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 0.00 126 G 8.56 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 0.00 127 E 8.16 3.99 0.00 2.02 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 2.40 2.41 0.00 128 E 8.16 4.15 0.00 2.29 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 2.35 0.00 129 I 8.01 3.80 2.04 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 1.46 0.87 1.03 0.00 0.00 130 L 8.11 3.89 0.00 1.82 1.84 0.87 0.67 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 0.00 131 Q 8.29 3.97 0.00 2.38 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 132 A 8.05 4.03 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 0.00 133 L 8.24 3.56 0.00 1.29 1.69 -0.24 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 134 T 7.92 3.84 4.35 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 1.20 0.00 0.00 135 R 8.07 4.03 0.00 1.94 2.13 0.00 3.12 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 136 R 8.50 3.73 0.00 2.14 2.36 0.00 3.47 0.00 0.00 3.53 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.79 0.00 137 L 7.95 4.40 0.00 1.92 1.78 0.97 1.11 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 0.00 138 Q 7.73 4.43 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.91 0.00 0.00 0.00 0.00 0.00 2.64 2.54 0.00 139 H 7.43 4.62 0.00 3.59 3.33 0.00 5.67 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 T 8.52 4.26 4.28 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 1.25 0.00 0.00 141 A 8.66 4.24 1.45 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 0.00 0.00 142 D 8.08 4.32 0.00 2.71 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 0.00 143 E 7.96 3.89 0.00 2.02 1.60 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 2.28 2.29 0.00 144 E 8.21 3.94 0.00 2.09 1.85 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 1.47 1.83 0.00 145 V 7.85 3.49 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 0.94 0.00 0.00 0.98 0.00 0.00 146 A 7.85 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 0.00 147 E 8.22 3.86 0.00 2.09 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 2.30 2.32 0.00 148 A 8.30 3.86 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 0.00 149 L 8.07 3.94 0.00 1.98 1.81 1.02 0.79 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 0.00 150 A 7.98 3.98 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 0.00 151 Q 8.26 3.88 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.74 0.00 0.00 0.00 0.00 0.00 2.53 2.46 0.00 152 L 8.14 3.89 0.00 1.82 1.93 0.76 0.86 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 0.00 153 R 8.39 3.88 0.00 2.01 1.83 0.00 3.11 0.00 0.00 2.96 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.97 0.00 154 E 8.25 3.93 0.00 2.14 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 2.29 2.49 0.00 155 I 7.97 3.68 1.82 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 1.47 0.87 0.87 0.00 0.00 156 T 7.89 4.01 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 0.46 0.00 0.00 157 M 7.95 4.09 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.79 0.00 158 L 7.79 3.96 0.00 1.86 1.69 0.89 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 159 R 7.89 3.93 0.00 1.93 2.00 0.00 3.35 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 160 L 8.13 4.13 0.00 2.02 1.88 0.82 0.88 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 0.00 161 E 8.36 4.07 0.00 2.13 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 2.42 0.00 162 G 7.69 3.81 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 0.00 0.00 0.00 163 A 7.90 4.45 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 0.00 164 I 7.08 4.81 1.62 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.49 0.81 0.00 0.00 165 G 8.77 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 0.00 166 E 8.68 4.36 0.00 1.87 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 2.31 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.