NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4281 0.0000 0.0000 62.2692 32.6578 174.0167 2 I 4.5400 8.1679 120.7710 59.1188 39.4591 173.7355 3 S 4.6103 9.4873 121.8433 57.5438 63.5987 172.1375 4 P 4.7165 0.0000 0.0000 63.1272 31.4123 175.9323 5 I 4.6310 6.9153 108.4970 60.1123 39.6037 175.3066 6 E 4.1990 8.5396 121.9400 56.5351 30.0165 177.1152 7 T 4.2504 8.2115 111.9915 61.1909 70.0250 174.0551 8 V 4.1487 8.0766 122.9524 60.7359 32.5661 174.0017 9 P 4.5032 0.0000 0.0000 62.7013 31.9355 175.7902 10 V 4.5710 8.3897 120.3814 61.1084 34.8878 174.1831 11 K 5.0444 8.0865 122.7598 54.7385 36.8535 175.6705 12 L 4.7736 8.5843 121.6474 54.0071 42.8347 177.0645 13 K 4.1599 9.1965 120.6598 55.8294 33.3618 175.2564 14 P 4.1631 0.0000 0.0000 64.2776 31.6476 177.0530 15 G 3.8972 8.9247 109.9531 45.9273 0.0000 172.4528 16 M 4.5004 7.5451 118.7120 53.4756 33.8979 174.7162 17 D 4.7990 8.2664 123.9107 51.8656 43.7665 175.4439 18 G 3.3020 8.0163 111.1013 44.0965 0.0000 171.3376 19 P 4.5890 0.0000 0.0000 62.0078 32.7427 176.1119 20 K 5.1493 8.0082 118.2608 55.1879 31.5942 176.3279 21 V 4.1735 8.4236 120.1649 61.3827 32.9178 176.7493 22 A 4.0555 8.5937 130.9537 52.1532 18.9809 176.3884 23 Q 3.8124 8.2635 122.9949 54.7118 30.0099 175.7955 24 W 4.4973 7.3710 125.0950 55.7135 29.9416 174.4715 25 P 4.4612 0.0000 0.0000 62.7496 31.4313 175.8830 26 L 4.9009 8.0721 120.9359 52.7526 44.5534 176.5804 27 T 3.9666 8.2628 116.9828 63.4688 69.3209 175.4896 28 A 3.9251 8.8869 127.1315 55.4873 18.1976 179.9864 29 A 3.9045 7.9022 118.6664 55.2348 18.5211 179.8432 30 K 2.9677 7.9251 117.1291 59.1661 31.9437 179.7903 31 I 3.6017 7.4840 119.3603 64.3319 37.0755 178.0917 32 A 3.8912 7.7266 120.9490 54.9342 18.1148 179.5301 33 A 3.6867 7.6389 119.1187 55.2283 18.3480 179.8266 34 L 3.8203 7.7248 117.4927 58.0000 41.7489 179.7887 35 V 3.6095 8.0248 118.1545 66.1342 31.2105 177.9907 36 A 3.9937 7.8121 120.2116 54.9204 18.2816 179.6260 37 I 3.5622 7.6787 118.2972 64.9344 37.2822 178.5784 38 C 3.9030 8.5751 117.6715 62.7849 27.7588 176.2921 39 T 3.8730 7.7677 117.4215 66.8303 67.9862 176.4920 40 E 3.9604 7.9613 120.0900 59.5235 29.3827 179.2516 41 M 3.9296 7.9361 118.8602 58.1865 31.8459 178.4918 42 E 4.1061 8.5210 121.1733 58.6334 29.6687 178.5899 43 K 3.8789 7.9607 118.5702 59.4706 32.2942 177.6669 44 E 4.3341 8.2879 116.3094 56.1590 29.6717 177.4588 45 G 3.9636 8.0987 107.7368 45.6700 0.0000 174.8198 46 K 4.4182 8.2965 121.6472 58.1766 32.8483 176.7990 47 I 5.1152 7.5017 111.6004 59.2955 41.7348 174.4378 48 S 4.8540 8.9516 117.5338 56.5392 67.2288 174.2243 49 K 4.8659 9.0545 122.6768 56.1048 32.5359 176.0759 50 I 4.4991 7.9594 115.4739 59.2677 41.2046 174.9337 51 G 4.0831 8.3569 111.4113 42.4021 0.0000 172.5171 52 P 4.3053 0.0000 0.0000 64.7570 30.8486 176.9231 53 E 3.9996 8.0300 116.3755 56.9491 29.7984 175.1967 54 N 4.7091 8.0770 120.3767 51.7168 38.9417 172.8316 55 P 4.4603 0.0000 0.0000 62.9617 32.0269 175.3718 56 Y 4.8044 6.9818 116.6791 58.1133 39.2335 174.0891 57 N 5.0454 8.8490 116.7244 53.3220 43.0716 173.3214 58 T 4.9437 8.5892 121.6483 60.8601 72.4201 172.1052 59 P 4.2942 0.0000 0.0000 63.0023 32.3845 175.8508 60 V 4.9664 8.4562 116.5817 59.9657 34.7789 174.5147 61 F 5.2162 9.0378 115.2643 56.3021 41.2997 172.9440 62 A 5.5324 8.8588 121.6377 50.6632 21.1667 176.8526 63 I 4.6616 9.2491 110.5283 60.3981 39.5768 174.8420 *71 W 5.2361 7.8418 120.2447 56.7542 30.2636 174.4142 72 A 4.8298 9.0784 125.2501 49.9162 21.7146 174.9359 73 K 4.5703 8.6737 123.5137 55.7309 33.5976 175.7110 74 L 4.4905 9.0574 129.0428 53.0318 45.2313 174.8988 75 V 4.2741 8.0864 125.3524 61.2263 33.6228 175.2964 76 D 4.8570 9.1001 128.7385 53.0598 40.7054 175.7184 77 F 5.1644 8.3427 122.5052 57.3104 39.9325 176.9996 78 R 4.0435 8.1006 120.0697 59.7147 29.7229 178.3963 79 E 3.9961 8.1898 116.6804 59.2319 30.0822 177.8826 80 L 4.2214 8.2052 119.9265 58.5307 41.9190 178.4495 81 N 4.4459 9.1417 116.5848 56.4864 38.2277 177.5110 82 K 4.1901 8.0034 118.4996 58.6807 32.3819 178.5994 83 R 4.3662 8.1692 116.7332 55.8439 30.6242 175.9147 84 T 4.9479 6.9955 115.0893 62.2463 69.7563 174.7944 85 Q 4.1417 8.3941 123.5283 56.6199 29.3508 175.6176 86 D 4.6880 8.2038 118.9111 53.5760 42.1468 176.0892 87 F 4.5510 8.3708 118.5346 54.9514 42.2013 175.4783 88 W 4.4123 8.7692 132.3411 57.0141 29.8567 175.3931 89 E 4.1852 8.0302 126.2570 55.7524 30.6747 176.4514 90 V 3.9488 7.5676 123.7366 62.4468 30.3547 177.1057 *104 K 4.3395 8.5230 119.6108 56.1579 32.7307 174.2897 105 S 4.7907 9.3505 123.3140 56.6692 66.5742 173.4504 106 V 4.9329 8.2863 122.7980 61.8148 34.1537 174.1813 107 T 4.6870 9.4800 125.0233 61.8069 71.3403 173.8331 108 V 4.3986 8.3068 125.0917 61.1607 33.3129 174.5448 109 L 4.3642 8.8837 129.7163 53.6950 43.1494 175.7636 110 D 4.6998 8.6935 124.4832 53.5162 41.6950 175.8767 111 V 4.4027 8.6163 120.0161 61.0955 32.0459 178.3628 112 G 3.3540 7.9836 112.6089 48.8746 0.0000 175.9245 113 D 4.4707 7.9156 117.8504 55.1883 41.4282 177.6601 114 A 4.3444 7.8516 122.4895 53.7950 18.4845 178.9907 115 Y 3.7958 7.4364 113.3854 61.1487 37.8791 178.4373 116 F 4.9996 7.5642 114.4605 58.5923 38.7397 175.8663 117 S 4.9318 8.3967 115.8670 57.2717 64.2614 173.2256 118 V 4.6216 7.8790 122.4006 60.5576 32.8220 173.5064 119 P 4.8626 0.0000 0.0000 62.7608 32.0314 175.3274 120 L 4.6169 8.5435 126.0110 53.1171 43.8190 175.6767 121 D 4.4010 8.8801 123.9098 55.0808 41.4177 177.1460 122 E 4.0287 9.1517 125.9096 59.8628 29.3201 178.8739 123 D 4.5444 8.1320 116.3513 56.0287 41.3974 177.2726 124 F 4.4625 8.2429 120.7158 59.2636 39.7845 177.3958 125 R 3.9541 7.6021 117.0252 59.3969 29.9624 178.8004 126 K 4.1612 7.5348 119.1309 59.3736 32.2855 178.1617 127 Y 4.2148 6.8549 116.3732 59.3887 37.7382 176.1214 128 T 4.7066 7.3480 109.3056 61.2194 69.5438 174.6483 129 A 4.6397 7.6261 123.8531 53.1020 19.5513 177.2693 130 F 5.4695 8.7289 114.9570 55.5242 42.1048 173.2491 131 T 5.0673 8.5271 115.8052 61.8691 71.1781 173.6222 132 I 4.2819 8.6965 127.7423 59.8039 38.3231 174.1184 133 P 4.4008 0.0000 0.0000 63.5330 32.2502 176.6205 134 S 4.7165 8.5850 122.1065 57.9296 64.7423 175.5002 135 I 3.8286 8.3817 123.5226 61.5244 35.5212 176.3925 136 N 4.1417 9.4011 124.3602 52.7923 34.6859 171.3294 137 N 4.2926 8.2760 114.6319 54.3736 35.9585 178.8224 138 E 3.9927 7.9107 117.2543 59.7393 29.4329 183.1385 139 T 4.2322 8.0370 110.0539 60.1803 70.0616 175.2552 140 P 4.3090 0.0000 0.0000 65.0675 31.5981 178.3647 141 G 3.9607 8.1720 104.1853 45.1796 0.0000 172.6091 142 I 4.0057 7.9984 123.0130 60.3338 38.7994 174.9980 143 R 4.7839 8.0918 125.2874 54.8309 32.6149 174.8523 144 Y 5.1693 8.0516 119.6637 56.3018 43.0372 173.8497 145 Q 5.0628 8.8697 117.5332 54.7984 32.6554 173.8644 146 Y 4.7555 9.1086 118.0689 58.0081 38.7617 175.5260 147 N 5.0130 9.4709 119.0054 53.4275 40.6190 174.4077 148 V 5.1973 7.8203 110.5632 58.8923 36.4493 175.0730 149 L 4.1292 8.4463 122.0901 54.8778 41.5233 176.3032 150 P 4.4446 0.0000 0.0000 61.8512 32.3496 175.2970 151 Q 4.3243 8.5645 119.9649 56.6708 29.4933 176.7127 152 G 4.0839 9.0419 110.7308 44.8438 0.0000 173.1409 153 W 4.5285 7.5659 129.9884 55.9746 31.6096 176.6148 154 K 3.4290 8.2926 127.0462 59.4898 31.6879 178.4617 155 G 2.0000 5.3800 102.3820 44.4420 0.0000 175.5685 156 S 3.9488 6.8162 117.7426 61.0860 62.8626 174.5848 157 P 4.2759 0.0000 0.0000 64.9770 31.2071 178.5762 158 A 3.9083 7.4721 118.9047 55.1222 18.3634 179.6138 159 I 3.6820 7.5344 118.4147 64.0289 37.1135 178.3867 160 F 3.8566 8.3407 121.9818 61.2344 39.1299 176.6749 161 Q 3.7199 8.1160 119.2293 59.3333 28.6633 178.5923 162 S 3.9978 7.7564 113.2457 61.5124 62.4109 176.3688 163 S 3.9134 7.9038 117.7392 61.5950 62.5064 176.1455 164 M 3.5704 7.9548 121.1347 58.9875 31.7143 178.1839 165 T 3.7583 7.8402 115.8505 66.8036 68.3724 176.6812 166 K 3.9117 7.3562 118.8917 59.2937 32.1387 179.1608 167 I 2.8820 7.2215 119.3053 63.8815 37.1534 177.9188 168 L 4.2307 7.9762 118.3713 55.8331 41.6534 178.6711 169 A 4.0150 7.5774 122.1977 54.9538 18.3904 177.8578 170 P 4.2728 0.0000 0.0000 65.9832 31.3080 178.3583 171 F 4.0121 8.1294 119.9119 61.0002 39.2162 177.1615 172 K 4.0244 8.3331 117.0936 59.2508 31.8730 178.7760 173 A 4.0925 7.8657 119.9366 55.4096 18.4694 179.4908 174 A 4.0741 7.6743 117.1257 53.7820 19.8385 177.5470 175 N 4.9338 7.6269 114.5025 51.1280 38.6731 173.2176 176 P 4.5392 0.0000 0.0000 63.6191 32.0721 177.3964 177 D 4.7564 7.8359 117.6503 53.4526 39.8254 175.8098 178 I 4.7530 7.3513 120.4915 59.8052 40.7266 175.2670 179 V 4.1553 8.9368 127.3797 61.8532 32.4515 174.4682 180 I 4.9817 8.3746 129.6023 60.0397 38.4894 174.8080 181 Y 4.9243 9.3734 128.5928 55.6988 42.1315 173.6086 182 Q 4.7470 8.2419 126.5719 54.4184 31.6442 173.3233 183 Y 4.8846 8.1054 127.1122 55.5835 40.3471 174.5564 184 M 4.4106 8.2354 123.1473 56.5539 31.5217 176.2655 185 D 4.8437 9.2840 120.2891 54.0793 39.5214 173.4833 186 D 5.2207 8.2187 118.5414 52.1210 44.7728 174.4680 187 L 4.7963 9.0233 125.4619 53.6273 44.3566 174.4169 188 Y 4.9755 9.3896 124.9785 56.5380 40.0351 174.7392 189 V 4.9104 9.4866 125.7154 61.0694 34.0927 174.6281 190 G 5.2191 8.9353 114.6068 45.4740 0.0000 171.2390 191 S 4.9413 8.3396 114.2334 57.6135 66.1233 174.7705 192 D 4.8687 8.5775 119.1049 54.0846 40.8281 177.1547 193 L 4.1302 7.2938 118.2474 54.3168 42.2791 177.6492 194 A 4.2100 8.3334 122.5450 52.0675 20.3646 178.7981 195 I 3.7221 8.5596 122.2385 64.4681 37.1587 179.1116 196 G 3.5939 8.0124 105.6784 47.5824 0.0000 175.7259 197 A 4.1489 7.9163 122.7465 54.3986 18.3856 179.1688 198 H 4.1637 8.5210 117.6341 59.4994 29.9167 177.4140 199 R 3.8853 7.8977 120.1011 59.7135 29.8339 178.6445 200 T 3.9471 7.8748 115.3103 66.4106 68.4220 176.9314 201 K 4.1357 7.7580 120.0378 59.5247 32.0427 179.4465 202 I 3.7139 7.9911 120.2792 64.4294 37.0278 178.3148 203 E 4.0408 7.9569 119.6031 59.2048 29.3467 179.1042 204 E 4.1093 8.4537 118.8747 59.0061 29.4045 179.0677 205 L 3.1526 8.0869 120.4833 58.1223 42.1645 179.0998 206 R 3.8764 8.0246 117.9766 59.6350 29.9902 179.1302 207 Q 4.0712 8.1314 117.5263 58.8921 28.4821 178.0609 208 H 4.2691 8.1532 118.6441 59.4129 30.2717 176.9899 209 L 4.1892 8.2418 121.0224 57.7791 41.4273 179.3083 210 L 4.3057 7.8755 121.6561 57.6947 41.7878 179.1054 211 R 3.9651 7.8966 117.2846 58.4133 29.9995 177.9340 212 W 4.7320 8.2432 117.2841 56.2603 29.2327 178.0406 213 G 4.0380 8.3244 109.2065 45.2457 0.0000 174.0738 214 L 4.4809 7.8313 120.7313 53.8155 42.6004 175.3954 215 T 4.6253 8.5185 114.3418 60.1157 70.4699 174.6717 216 T 4.2083 8.3075 114.8916 61.7863 68.9853 173.4983 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 P 0.00 4.43 0.00 2.25 2.12 0.00 3.83 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 2.04 2.14 0.00 2 I 8.17 4.54 1.93 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 1.39 0.79 1.06 0.00 0.00 3 S 9.49 4.61 0.00 3.97 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 4 P 0.00 4.72 0.00 2.20 2.10 0.00 4.22 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.71 0.00 5 I 6.92 4.63 1.91 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 1.42 0.75 0.98 0.00 0.00 6 E 8.54 4.20 0.00 2.02 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 2.36 2.36 0.00 7 T 8.21 4.25 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 1.31 0.00 0.00 8 V 8.08 4.15 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 0.96 0.00 0.00 0.95 0.00 0.00 9 P 0.00 4.50 0.00 2.27 2.09 0.00 3.81 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 2.02 1.98 0.00 10 V 8.39 4.57 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 0.58 0.00 0.00 1.20 0.00 0.00 11 K 8.09 5.04 0.00 1.71 1.68 0.00 1.73 0.00 0.00 1.85 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.53 7.81 12 L 8.58 4.77 0.00 1.46 1.62 0.26 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 13 K 9.20 4.16 0.00 1.67 1.73 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.54 7.81 14 P 0.00 4.16 0.00 2.04 2.00 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 15 G 8.92 3.90 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 0.00 0.00 0.00 16 M 7.55 4.50 0.00 1.85 2.08 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.47 0.00 17 D 8.27 4.80 0.00 2.70 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 18 G 8.02 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 0.00 0.00 0.00 19 P 0.00 4.59 0.00 2.24 2.28 0.00 3.55 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 2.21 2.13 0.00 20 K 8.01 5.15 0.00 1.67 1.78 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.74 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.58 1.60 7.81 21 V 8.42 4.17 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.99 0.00 0.00 22 A 8.59 4.06 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 23 Q 8.26 3.81 0.00 1.86 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.91 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 24 W 7.37 4.50 0.00 3.54 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 25 P 0.00 4.46 0.00 2.10 2.03 0.00 3.78 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 2.09 2.17 0.00 26 L 8.07 4.90 0.00 1.64 1.59 1.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.26 3.97 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 28 A 8.89 3.93 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 29 A 7.90 3.90 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 30 K 7.93 2.97 0.00 1.90 1.70 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.42 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.17 1.41 7.81 31 I 7.48 3.60 1.82 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 1.56 0.81 0.91 0.00 0.00 32 A 7.73 3.89 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 33 A 7.64 3.69 0.47 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 34 L 7.72 3.82 0.00 1.78 1.70 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.02 3.61 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 1.02 0.00 0.00 0.97 0.00 0.00 36 A 7.81 3.99 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 37 I 7.68 3.56 1.94 0.00 0.00 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0.00 0.00 132 I 8.70 4.28 1.98 0.00 0.00 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 1.38 1.02 0.95 0.00 0.00 133 P 0.00 4.40 0.00 1.95 2.01 0.00 3.69 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 134 S 8.59 4.72 0.00 3.41 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 I 8.38 3.83 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.54 0.91 0.00 0.00 136 N 9.40 4.14 0.00 2.91 2.82 0.00 0.00 6.79 7.99 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 0.00 137 N 8.28 4.29 0.00 2.87 2.78 0.00 0.00 6.76 8.93 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 0.00 138 E 7.91 3.99 0.00 2.02 1.68 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 2.26 2.13 0.00 139 T 8.04 4.23 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 0.00 140 P 0.00 4.31 0.00 1.98 2.10 0.00 3.57 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 1.98 2.05 0.00 141 G 8.17 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 0.00 142 I 8.00 4.01 1.79 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 1.16 0.40 0.26 0.00 0.00 143 R 8.09 4.78 0.00 1.49 1.62 0.00 3.13 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.45 0.00 144 Y 8.05 5.17 0.00 1.43 2.32 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 0.00 145 Q 8.87 5.06 0.00 2.34 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.95 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 146 Y 9.11 4.76 0.00 3.00 3.25 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 0.00 147 N 9.47 5.01 0.00 2.89 2.88 0.00 0.00 6.72 8.52 0.00 0.00 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 V 7.82 5.20 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.37 0.00 0.00 149 L 8.45 4.13 0.00 1.65 1.66 0.74 1.18 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 0.00 150 P 0.00 4.44 0.00 2.01 0.78 0.00 3.59 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.58 0.00 151 Q 8.56 4.32 0.00 2.09 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.52 0.00 0.00 0.00 0.00 0.00 1.77 1.80 0.00 152 G 9.04 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 0.00 153 W 7.57 4.53 0.00 2.45 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 0.00 154 K 8.29 3.43 0.00 1.65 1.31 0.00 1.94 0.00 0.00 1.73 0.00 0.00 3.16 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.30 7.81 155 G 5.38 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 0.00 0.00 0.00 0.00 0.00 0.00 156 S 6.82 3.95 0.00 3.98 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 P 0.00 4.28 0.00 2.02 2.08 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 158 A 7.47 3.91 1.21 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 0.00 0.00 159 I 7.53 3.68 1.79 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 1.38 0.43 0.89 0.00 0.00 160 F 8.34 3.86 0.00 2.25 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 0.00 161 Q 8.12 3.72 0.00 2.19 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 162 S 7.76 4.00 0.00 4.00 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 0.00 163 S 7.90 3.91 0.00 3.75 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 0.00 164 M 7.95 3.57 0.00 1.77 1.19 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 165 T 7.84 3.76 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 1.17 0.00 0.00 166 K 7.36 3.91 0.00 1.60 1.71 0.00 1.63 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.57 7.81 167 I 7.22 2.88 1.60 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.08 -0.19 0.38 0.00 0.00 168 L 7.98 4.23 0.00 1.62 1.70 0.84 0.50 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 0.00 169 A 7.58 4.01 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 0.00 170 P 0.00 4.27 0.00 2.43 2.44 0.00 3.80 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.22 0.00 171 F 8.13 4.01 0.00 2.84 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 0.00 172 K 8.33 4.02 0.00 1.96 1.90 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.60 1.70 7.81 173 A 7.87 4.09 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 0.00 174 A 7.67 4.07 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 0.00 175 N 7.63 4.93 0.00 2.34 2.50 0.00 0.00 6.61 7.43 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 0.00 176 P 0.00 4.54 0.00 2.16 2.13 0.00 3.75 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 177 D 7.84 4.76 0.00 2.80 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 0.00 178 I 7.35 4.75 2.08 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 1.18 0.70 1.11 0.00 0.00 179 V 8.94 4.16 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 1.01 0.00 0.00 0.95 0.00 0.00 180 I 8.37 4.98 1.96 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.87 0.94 0.00 0.00 181 Y 9.37 4.92 0.00 3.02 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 0.00 182 Q 8.24 4.75 0.00 2.05 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.69 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 183 Y 8.11 4.88 0.00 3.17 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 0.00 184 M 8.24 4.41 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.38 0.00 185 D 9.28 4.84 0.00 2.90 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 0.00 186 D 8.22 5.22 0.00 2.56 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 0.00 0.00 0.00 187 L 9.02 4.80 0.00 1.67 1.44 0.88 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 188 Y 9.39 4.98 0.00 3.30 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 0.00 189 V 9.49 4.91 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 1.05 0.00 0.00 0.94 0.00 0.00 190 G 8.94 5.22 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 0.00 191 S 8.34 4.94 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 0.00 192 D 8.58 4.87 0.00 2.69 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 0.00 193 L 7.29 4.13 0.00 1.76 1.65 1.02 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 194 A 8.33 4.21 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 0.00 195 I 8.56 3.72 1.89 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 1.58 1.08 0.94 0.00 0.00 196 G 8.01 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 0.00 197 A 7.92 4.15 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 0.00 198 H 8.52 4.16 0.00 3.29 3.44 0.00 5.79 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 0.00 199 R 7.90 3.89 0.00 2.14 2.10 0.00 3.23 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 200 T 7.87 3.95 4.43 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 1.24 0.00 0.00 201 K 7.76 4.14 0.00 1.98 1.96 0.00 1.75 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.64 1.66 7.81 202 I 7.99 3.71 2.01 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 1.57 0.80 0.89 0.00 0.00 203 E 7.96 4.04 0.00 2.13 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 2.60 2.51 0.00 204 E 8.45 4.11 0.00 2.43 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 2.41 2.67 0.00 205 L 8.09 3.15 0.00 1.20 1.69 0.12 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 206 R 8.02 3.88 0.00 2.03 1.98 0.00 3.17 0.00 0.00 3.35 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.95 0.00 207 Q 8.13 4.07 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.55 2.54 0.00 208 H 8.15 4.27 0.00 3.32 3.56 0.00 5.96 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 L 8.24 4.19 0.00 1.90 1.85 0.88 0.73 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 0.00 210 L 7.88 4.31 0.00 2.01 1.86 1.00 0.92 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 0.00 211 R 7.90 3.97 0.00 2.08 1.75 0.00 3.29 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.87 0.00 212 W 8.24 4.73 0.00 3.53 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 0.00 213 G 8.32 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 0.00 0.00 0.00 214 L 7.83 4.48 0.00 1.80 1.71 0.90 0.80 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 0.00 215 T 8.52 4.63 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 1.26 0.00 0.00 216 T 8.31 4.21 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 1.24 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.