NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.2237 0.0000 0.0000 62.5270 32.6168 174.3585 2 K 4.1266 8.2832 119.4473 54.9393 32.7694 174.1514 3 H 4.7426 8.6489 123.4940 54.1511 31.9191 174.9915 4 G 3.9880 8.1871 108.5679 43.6085 0.0000 174.5918 5 K 3.9539 8.5340 119.8643 59.5116 31.7702 178.5435 6 R 3.8944 7.8940 117.5968 59.6529 30.4316 177.4439 7 Y 4.1169 8.0176 118.8861 60.7082 38.4046 177.8402 8 R 3.9993 8.2667 118.9360 59.0507 29.8914 178.7715 9 A 4.1137 7.8742 120.5683 54.5819 18.2327 179.4027 10 L 3.7851 7.5128 117.0947 57.2165 41.2976 179.1830 11 L 3.9715 7.3450 117.6572 57.1228 41.2628 178.9692 12 E 3.8223 7.5163 117.5555 58.5523 29.5972 178.0310 13 K 4.2438 7.5823 116.7528 57.0798 32.6897 177.0094 14 V 4.4244 7.1478 117.6310 60.7578 34.5108 173.8440 15 D 4.8711 9.1385 126.6585 51.8493 41.8553 175.1929 16 P 4.5977 0.0000 0.0000 64.6506 31.5644 176.5088 17 N 4.7168 8.2785 115.6557 53.3248 39.1025 174.9720 18 K 4.3870 7.5775 117.6170 54.8011 33.8250 175.6625 19 I 4.5701 7.8727 121.9394 59.9935 39.4329 175.0000 20 Y 4.7750 9.2600 125.3801 56.7005 41.0461 174.9716 21 T 4.7314 8.6688 111.1262 60.6942 71.1107 176.3170 22 I 3.7202 8.4361 122.9358 64.7130 36.5033 178.6643 23 D 4.4853 8.0789 119.2458 57.1508 40.8528 178.5311 24 E 3.8532 8.1467 119.2220 59.2839 29.4899 179.1523 25 A 3.8767 8.3420 120.8404 55.0143 18.2145 179.5772 26 A 3.9510 7.9819 118.3810 55.2534 18.8052 179.0162 27 H 4.3896 7.8358 114.4066 58.2775 29.2290 177.5358 28 L 4.0850 7.8773 122.1031 57.5985 41.5054 179.0242 29 V 3.7151 7.9460 118.7782 63.9078 31.2065 178.3327 30 K 4.0153 7.4302 117.8414 58.7770 32.0277 178.1779 31 E 4.2726 7.7735 116.5891 57.0829 29.7197 176.9169 32 L 4.3974 7.1057 117.2924 54.3314 41.9879 177.1976 33 A 4.6880 7.5498 123.7153 50.4262 18.0304 176.3858 34 T 4.3811 7.7724 107.0211 60.7254 69.7356 175.5749 35 A 4.3291 7.9026 125.4770 51.9400 19.1377 179.0086 36 K 4.5559 8.4089 117.5610 55.9116 31.6781 176.9135 37 F 4.7630 7.6817 112.8388 55.7441 40.8591 173.2847 38 D 4.4648 8.6467 120.5985 53.2541 40.2051 175.3904 39 E 4.1227 8.0577 126.4736 56.4915 30.8206 176.2471 40 T 4.5822 8.4973 119.6298 62.8876 70.4702 174.0155 41 V 4.3485 8.5102 126.7836 62.0184 32.9613 174.5485 42 E 5.1023 9.1904 127.1932 54.4887 33.1655 174.8998 43 V 4.7081 8.3240 122.1138 61.4945 34.5943 173.9600 44 H 5.2692 9.7324 124.5019 53.9873 32.0540 172.4514 45 A 5.2129 8.9987 124.7655 49.9187 22.6293 174.4653 46 K 4.6168 8.8976 123.7059 55.1044 33.5951 175.6663 47 L 4.5219 8.3838 128.0489 53.0957 43.0376 177.5209 48 G 4.3351 8.1223 110.2859 45.2143 0.0000 172.0114 49 I 4.8419 7.4561 111.0562 58.8803 41.3437 174.6267 50 D 4.8143 8.4271 119.6228 51.6329 41.5295 174.8559 51 P 4.3388 0.0000 0.0000 65.3352 31.5018 177.7039 52 R 4.1375 7.8470 116.7435 57.6035 30.2761 176.4283 53 R 4.1764 7.6842 119.8689 55.4078 30.6289 176.9992 54 S 4.1217 8.8461 120.6802 61.2069 62.5557 174.2444 55 D 4.7014 8.0258 116.3557 53.6097 39.4510 176.0372 56 Q 4.6672 7.6992 121.2612 56.4209 29.4803 174.0639 57 N 5.0958 8.0752 112.4476 51.1834 41.9596 174.9776 58 V 4.3678 8.8386 122.0130 61.4591 33.6227 175.0472 59 R 4.6886 8.5941 129.4272 56.0253 32.0753 173.5681 60 G 3.7142 7.7425 116.6158 44.9559 0.0000 170.1560 61 T 4.9412 7.7282 108.7066 60.1990 72.4380 173.2869 62 V 4.6161 8.5249 119.2646 60.7283 35.3199 173.2141 63 S 4.8737 8.5688 117.3298 56.4915 63.1556 173.8488 64 L 4.2918 8.0538 127.7780 53.9872 42.0266 176.1241 65 P 4.3177 0.0000 0.0000 65.0558 31.5285 176.6121 66 H 4.7029 8.3197 114.8124 55.0501 31.3188 173.5585 67 G 3.8682 8.6639 110.6429 44.1254 0.0000 171.5167 *159 G 4.4246 8.1343 103.9662 46.4698 0.0000 171.8396 160 R 5.0478 8.7507 123.9327 54.4630 32.2996 176.1690 161 I 4.7685 8.3943 119.2170 59.0924 40.8285 174.0830 162 E 5.1234 8.7096 120.6095 54.4994 32.6304 175.1006 163 F 5.1569 8.3519 115.8678 55.3757 41.4374 173.5726 164 R 5.5370 8.8844 121.9280 54.5283 32.9217 174.1529 165 N 4.9536 8.9909 123.9704 52.8735 38.8106 174.5534 166 D 4.7774 8.7913 121.1735 51.9506 41.3245 176.9750 167 K 4.2918 8.4746 116.9705 58.4117 32.8382 177.6117 168 T 4.1425 7.8268 109.2047 62.0489 69.7386 175.5519 169 G 4.0268 8.1902 109.6521 44.8865 0.0000 172.6656 170 A 5.0594 8.2243 121.3719 50.2663 21.7746 176.2136 171 I 4.8094 8.7127 119.4702 59.7073 41.6204 174.0588 172 H 5.4363 8.5229 122.3839 54.7704 33.1610 172.4653 173 A 4.4641 7.9438 119.6418 50.3796 22.9693 173.8176 174 P 4.6551 0.0000 0.0000 62.6221 32.1631 176.4235 175 V 4.2014 10.0699 116.1641 60.3982 33.0540 176.3715 176 G 3.4731 6.6137 107.8516 45.2071 0.0000 171.3540 177 K 4.6199 5.6600 116.9830 54.1198 35.1124 176.9242 178 A 4.1699 8.4290 123.0084 53.5252 18.4210 178.7368 179 S 4.5189 7.4444 109.1635 58.6135 63.8692 174.9946 180 F 4.5272 7.7285 120.7180 56.6786 39.5287 173.5233 181 P 4.4292 0.0000 0.0000 61.8297 32.0720 175.7628 182 P 4.2118 0.0000 0.0000 66.0912 31.1882 178.8628 183 E 4.0166 8.0753 116.7527 59.2593 29.4095 179.3563 184 K 3.8699 7.9924 118.4918 59.2762 31.9891 179.4731 185 L 4.0819 7.9893 118.6091 57.8872 41.6661 179.3138 186 A 4.0374 8.1881 120.6714 55.1475 18.3695 179.4731 187 D 4.3694 8.1292 117.2131 57.6658 40.7705 178.7434 188 N 4.5042 8.3709 117.0992 56.2034 38.5622 177.6724 189 I 3.8116 8.1916 121.6543 64.6086 37.2641 178.7856 190 R 3.9945 8.1439 118.6432 59.0140 29.8252 179.0646 191 A 4.0448 8.0040 120.4657 55.0903 18.4176 179.4952 192 F 4.2566 8.1634 119.2386 61.3882 39.4335 177.5459 193 I 3.4150 7.7377 119.5434 64.2075 36.9221 178.3983 194 R 3.8771 8.0086 119.4129 59.3281 29.6836 178.4802 195 A 4.1467 7.7427 119.7994 54.8811 18.7490 179.4039 196 L 3.9036 7.5317 117.6931 57.9625 41.5211 179.4396 197 E 4.1443 8.0597 116.6380 58.6903 29.4408 178.6598 198 A 4.2058 7.7794 119.7322 53.8482 18.7171 177.9656 199 H 4.9052 7.6676 113.7465 54.4308 30.5992 174.7854 200 K 3.4287 7.3914 122.2825 54.8640 32.5881 174.6850 201 P 4.2689 0.0000 0.0000 63.1213 31.9699 176.0418 202 E 4.4036 8.3795 124.0662 55.6359 29.5242 175.8914 203 G 4.1335 7.3771 100.2299 45.2801 0.0000 173.6800 204 A 4.6358 8.0794 121.5318 50.3787 19.6972 177.7700 205 K 4.5148 8.4872 119.1799 55.8169 34.5723 178.8789 206 G 3.6404 8.5474 111.0094 46.8628 0.0000 173.9164 207 T 4.1138 8.3028 119.5454 63.3960 69.2357 174.8526 208 F 4.2708 9.1815 129.6539 61.0309 40.6331 174.4500 209 L 4.4583 7.7579 120.1733 52.9800 40.2717 176.4002 210 R 4.2176 8.5527 122.8443 58.8780 31.1724 177.4965 211 S 4.4387 7.7908 112.6841 57.4569 66.1621 173.8986 212 V 4.9088 8.3269 124.7630 61.2168 34.2668 173.7418 213 Y 5.3135 9.4214 124.1817 56.3099 42.6023 174.1787 214 V 4.9380 9.0393 122.9804 61.6517 34.4157 174.3753 215 T 4.9901 8.8263 120.9863 61.3970 71.7297 171.7955 216 T 5.0237 7.9934 113.6408 59.1223 71.1456 174.6143 217 T 4.3078 8.5241 117.3621 65.5815 68.7454 175.9635 218 M 4.6965 8.0498 117.6042 54.7189 32.6539 175.0403 219 G 4.2195 7.5006 107.3827 42.7607 0.0000 171.2244 220 P 4.5721 0.0000 0.0000 62.0826 32.0016 176.0937 221 S 4.8758 8.2010 114.2598 57.5196 65.2839 173.7103 222 V 4.3225 8.8566 120.7902 61.0000 34.1485 174.4193 223 R 4.1977 8.7965 129.2665 55.8504 31.0786 175.0766 224 I 5.0239 8.0594 119.3016 59.0276 41.1597 174.4151 225 N 4.8015 8.4703 122.0714 51.6420 39.3764 174.0157 226 P 4.3589 0.0000 0.0000 64.7140 31.8212 175.9836 227 H 5.0301 7.6840 116.3031 55.8222 29.4549 173.8044 228 S 4.3442 8.0034 118.4742 58.4824 62.9727 173.7785 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 4.22 0.00 2.00 2.07 0.00 3.71 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.84 0.00 2 K 8.28 4.13 0.00 1.77 1.70 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.51 7.81 3 H 8.65 4.74 0.00 3.22 3.04 0.00 5.75 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 G 8.19 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 5 K 8.53 3.95 0.00 1.86 1.85 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.52 7.81 6 R 7.89 3.89 0.00 1.87 1.99 0.00 3.46 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 1.63 1.69 0.00 7 Y 8.02 4.12 0.00 3.10 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.27 4.00 0.00 2.10 2.00 0.00 3.22 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.96 0.00 9 A 7.87 4.11 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 10 L 7.51 3.79 0.00 1.48 1.49 0.85 0.83 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 11 L 7.35 3.97 0.00 1.82 1.65 0.99 0.62 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 12 E 7.52 3.82 0.00 2.12 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 2.46 2.40 0.00 13 K 7.58 4.24 0.00 1.74 1.81 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.32 7.81 14 V 7.15 4.42 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 0.80 0.00 0.00 0.75 0.00 0.00 15 D 9.14 4.87 0.00 2.75 2.56 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 0.00 0.00 0.00 16 P 0.00 4.60 0.00 2.29 2.23 0.00 3.85 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 2.03 2.03 0.00 17 N 8.28 4.72 0.00 2.87 2.89 0.00 0.00 6.89 7.69 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 18 K 7.58 4.39 0.00 1.72 1.03 0.00 1.47 0.00 0.00 1.44 0.00 0.00 2.13 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.21 1.27 7.81 19 I 7.87 4.57 1.79 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.53 0.86 0.00 0.00 20 Y 9.26 4.78 0.00 2.92 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 21 T 8.67 4.73 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 1.23 0.00 0.00 22 I 8.44 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 1.53 0.98 0.94 0.00 0.00 23 D 8.08 4.49 0.00 2.72 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.15 3.85 0.00 2.26 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 0.00 2.39 2.37 0.00 25 A 8.34 3.88 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 26 A 7.98 3.95 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 H 7.84 4.39 0.00 3.10 3.36 0.00 5.81 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.88 4.09 0.00 1.87 1.69 0.85 0.26 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 29 V 7.95 3.72 2.17 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 0.75 0.00 0.00 0.87 0.00 0.00 30 K 7.43 4.02 0.00 1.84 1.88 0.00 1.86 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.64 7.81 31 E 7.77 4.27 0.00 2.07 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 2.29 2.32 0.00 32 L 7.11 4.40 0.00 1.55 1.58 0.85 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 33 A 7.55 4.69 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 34 T 7.77 4.38 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 1.16 0.00 0.00 35 A 7.90 4.33 1.12 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 36 K 8.41 4.56 0.00 1.87 1.91 0.00 1.81 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.46 7.81 37 F 7.68 4.76 0.00 3.07 2.93 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 38 D 8.65 4.46 0.00 2.68 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 39 E 8.06 4.12 0.00 1.72 1.67 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 1.98 1.47 0.00 40 T 8.50 4.58 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 41 V 8.51 4.35 1.93 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 0.93 0.00 0.00 0.77 0.00 0.00 42 E 9.19 5.10 0.00 1.98 1.74 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 2.19 2.20 0.00 43 V 8.32 4.71 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 1.22 0.00 0.00 0.98 0.00 0.00 44 H 9.73 5.27 0.00 3.12 3.23 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 9.00 5.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.90 4.62 0.00 1.85 1.70 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.57 7.81 47 L 8.38 4.52 0.00 1.65 1.42 0.91 0.39 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 48 G 8.12 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 0.00 0.00 0.00 0.00 49 I 7.46 4.84 2.07 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 1.34 0.82 1.09 0.00 0.00 50 D 8.43 4.81 0.00 2.77 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.34 0.00 2.32 2.20 0.00 3.83 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 52 R 7.85 4.14 0.00 1.84 2.04 0.00 3.21 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 53 R 7.68 4.18 0.00 1.83 1.93 0.00 3.11 0.00 0.00 3.11 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.57 0.00 54 S 8.85 4.12 0.00 3.88 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 55 D 8.03 4.70 0.00 2.83 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.70 4.67 0.00 2.14 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 57 N 8.08 5.10 0.00 2.65 2.73 0.00 0.00 6.94 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 58 V 8.84 4.37 2.25 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 1.27 0.00 0.00 1.23 0.00 0.00 59 R 8.59 4.69 0.00 1.82 1.77 0.00 3.33 0.00 0.00 3.21 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.60 0.00 60 G 7.74 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 T 7.73 4.94 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 1.09 0.00 0.00 62 V 8.52 4.62 2.47 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 0.93 0.00 0.00 1.08 0.00 0.00 63 S 8.57 4.87 0.00 3.93 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 64 L 8.05 4.29 0.00 1.87 1.82 0.96 1.17 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 65 P 0.00 4.32 0.00 1.87 2.01 0.00 3.85 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 66 H 8.32 4.70 0.00 3.09 3.00 0.00 5.62 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.66 3.87 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 0.00 0.00 0.00 *159 G 8.13 4.42 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 0.00 160 R 8.75 5.05 0.00 1.83 1.82 0.00 3.22 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.87 0.00 161 I 8.39 4.77 1.89 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 1.39 0.79 0.96 0.00 0.00 162 E 8.71 5.12 0.00 1.84 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 2.15 2.18 0.00 163 F 8.35 5.16 0.00 3.30 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 0.00 164 R 8.88 5.54 0.00 1.80 1.83 0.00 3.06 0.00 0.00 2.52 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.50 0.00 165 N 8.99 4.95 0.00 2.81 2.87 0.00 0.00 6.17 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 D 8.79 4.78 0.00 2.95 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 0.00 167 K 8.47 4.29 0.00 1.90 1.99 0.00 1.57 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.44 7.81 168 T 7.83 4.14 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 0.00 169 G 8.19 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 0.00 0.00 0.00 170 A 8.22 5.06 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 0.00 171 I 8.71 4.81 1.88 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.67 0.89 0.00 0.00 172 H 8.52 5.44 0.00 2.98 2.95 0.00 5.79 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 0.00 173 A 7.94 4.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 P 0.00 4.66 0.00 2.02 2.01 0.00 3.63 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.95 0.00 175 V 10.07 4.20 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.93 0.00 0.00 176 G 6.61 3.47 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 0.00 177 K 5.66 4.62 0.00 1.16 1.49 0.00 1.72 0.00 0.00 1.84 0.00 0.00 3.15 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.21 1.30 7.81 178 A 8.43 4.17 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 0.00 179 S 7.44 4.52 0.00 4.19 4.16 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 0.00 180 F 7.73 4.53 0.00 2.89 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 0.00 181 P 0.00 4.43 0.00 2.13 1.94 0.00 3.49 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 2.02 2.07 0.00 182 P 0.00 4.21 0.00 1.86 1.70 0.00 3.55 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 1.92 2.06 0.00 183 E 8.08 4.02 0.00 2.03 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 2.40 2.47 0.00 184 K 7.99 3.87 0.00 1.95 1.70 0.00 1.24 0.00 0.00 0.97 0.00 0.00 2.64 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.67 1.21 7.81 185 L 7.99 4.08 0.00 1.88 1.74 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 186 A 8.19 4.04 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 D 8.13 4.37 0.00 3.11 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 0.00 188 N 8.37 4.50 0.00 3.17 3.01 0.00 0.00 7.04 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 0.00 189 I 8.19 3.81 1.92 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 1.56 1.09 0.96 0.00 0.00 190 R 8.14 3.99 0.00 1.98 2.01 0.00 3.15 0.00 0.00 3.19 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 191 A 8.00 4.04 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 0.00 192 F 8.16 4.26 0.00 3.01 3.20 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 0.00 193 I 7.74 3.42 1.96 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.53 0.88 0.00 0.00 194 R 8.01 3.88 0.00 1.96 2.18 0.00 3.12 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 195 A 7.74 4.15 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 0.00 196 L 7.53 3.90 0.00 1.61 1.62 0.34 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 197 E 8.06 4.14 0.00 1.98 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 2.59 2.55 0.00 198 A 7.78 4.21 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 0.00 199 H 7.67 4.91 0.00 3.32 3.46 0.00 5.85 0.00 0.00 0.00 0.00 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 K 7.39 3.43 0.00 0.79 1.29 0.00 1.35 0.00 0.00 1.43 0.00 0.00 2.87 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.93 0.21 7.81 201 P 0.00 4.27 0.00 2.08 2.00 0.00 3.57 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 2.13 2.14 0.00 202 E 8.38 4.40 0.00 1.88 1.88 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 2.22 2.25 0.00 203 G 7.38 4.13 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 0.00 0.00 0.00 204 A 8.08 4.64 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 0.00 205 K 8.49 4.51 0.00 1.78 1.76 0.00 1.93 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.38 1.44 7.81 206 G 8.55 3.64 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 0.00 0.00 0.00 207 T 8.30 4.11 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 1.24 0.00 0.00 208 F 9.18 4.27 0.00 3.06 3.08 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 0.00 209 L 7.76 4.46 0.00 1.49 1.47 0.90 0.43 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 0.00 210 R 8.55 4.22 0.00 1.88 2.00 0.00 3.22 0.00 0.00 3.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 211 S 7.79 4.44 0.00 3.98 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 0.00 212 V 8.33 4.91 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 1.02 0.00 0.00 0.85 0.00 0.00 213 Y 9.42 5.31 0.00 2.87 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 0.00 214 V 9.04 4.94 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 0.84 0.00 0.00 0.96 0.00 0.00 215 T 8.83 4.99 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 216 T 7.99 5.02 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 1.15 0.00 0.00 217 T 8.52 4.31 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 1.41 0.00 0.00 218 M 8.05 4.70 0.00 1.99 2.13 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.68 0.00 219 G 7.50 4.22 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 0.00 220 P 0.00 4.57 0.00 1.94 1.84 0.00 3.52 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.36 0.00 221 S 8.20 4.88 0.00 4.04 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 222 V 8.86 4.32 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 0.49 0.00 0.00 0.73 0.00 0.00 223 R 8.80 4.20 0.00 1.62 1.87 0.00 2.90 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.80 0.00 224 I 8.06 5.02 1.87 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 1.08 0.80 0.92 0.00 0.00 225 N 8.47 4.80 0.00 2.90 2.74 0.00 0.00 7.32 7.08 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 0.00 226 P 0.00 4.36 0.00 1.95 2.04 0.00 3.71 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 1.81 1.89 0.00 227 H 7.68 5.03 0.00 3.24 3.29 0.00 5.79 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 228 S 8.00 4.34 0.00 3.94 3.79 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 * Residues marked with a * may have inaccurate shift predictions.