NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 85 I 4.1490 8.0093 121.4508 60.9192 37.8718 174.9138 86 L 3.9756 7.7216 122.5469 55.1611 41.4359 176.0600 87 K 4.6460 8.3592 119.0362 55.3889 34.9684 177.4680 88 E 4.6938 8.0939 120.2678 55.0599 29.5783 177.2725 89 L 4.2827 8.1202 112.7731 54.7880 41.1202 177.8681 90 E 4.5976 7.8749 115.9691 55.3879 32.1226 175.3020 91 N 4.1828 9.0540 117.7786 56.9354 39.4799 174.9674 92 L 4.5507 7.5303 118.4878 53.4988 41.3859 175.1685 93 S 4.5885 7.3271 115.9175 56.5384 64.1709 172.2126 94 P 4.2177 0.0000 0.0000 65.6582 31.0981 178.7187 95 E 3.8470 8.0156 116.3446 59.5831 29.4764 178.7703 96 E 3.8149 8.2335 118.4747 59.5758 29.4637 178.9384 97 A 4.2983 8.3016 121.4152 54.4346 18.6204 179.0381 98 A 3.9438 8.0290 119.5953 56.0983 18.3241 179.5770 99 H 4.2196 8.6757 114.5816 59.0473 28.5977 177.9987 100 Q 3.9424 7.7193 119.7619 59.0610 28.5631 178.7975 101 K 3.8663 8.4183 120.5542 59.5267 31.8397 178.6508 102 A 4.0074 7.6606 120.0812 55.0306 18.6833 179.7402 103 V 3.7013 7.9362 111.0051 64.7874 31.6795 179.2044 104 V 3.8233 7.7687 112.0621 64.5479 31.1789 178.2762 105 E 4.0329 7.8691 117.6692 59.1474 29.5535 178.7707 106 T 4.1419 8.2146 116.4758 66.3774 68.6577 176.7269 107 L 3.5611 7.9453 120.2191 58.0210 41.3851 179.1780 108 L 4.4928 8.1666 116.7592 56.6030 41.5397 178.1405 109 Q 4.5172 8.5733 118.3944 56.4343 30.4359 175.5800 110 E 4.0217 7.2789 117.9136 56.0870 30.2550 176.5491 111 D 4.4715 8.5490 118.5623 53.9586 41.9412 174.3783 112 P 4.3959 0.0000 0.0000 65.9029 31.3194 178.1890 113 W 4.3754 8.4419 126.3030 60.4115 30.9195 178.1546 114 R 3.5161 9.1245 118.4461 59.0479 29.3750 179.2549 115 V 3.3022 7.7721 117.7188 65.9041 31.4470 177.4388 116 A 3.8676 7.7151 120.3544 55.4184 18.0679 179.4201 117 K 3.4388 7.6724 116.2137 59.9507 32.1240 179.2589 118 M 3.9455 7.5463 118.1815 58.5008 31.9022 178.8960 119 V 3.0474 7.9291 118.6041 65.6097 31.4438 177.9892 120 K 3.9291 8.7907 120.3981 59.8004 32.0632 179.0484 121 S 3.8337 8.2713 115.5808 61.5565 62.5698 176.2338 122 Y 4.0363 8.2424 122.2609 60.7803 38.6957 177.5952 123 L 4.1417 8.4057 120.0564 58.3093 41.7672 179.5126 124 Q 3.9642 8.9460 118.6608 59.0516 28.4821 178.5495 125 Q 3.9314 8.0265 118.4378 59.3377 28.9416 178.4289 126 H 4.3587 7.8768 113.6405 54.0928 30.1622 175.0673 127 N 4.0712 7.8694 118.7864 54.4584 37.3866 173.6492 128 I 4.3950 7.8697 119.1166 58.6668 39.2910 174.8116 129 P 4.2611 0.0000 0.0000 62.8074 31.7658 176.5875 130 Q 3.8073 9.0212 124.0479 59.4283 28.6498 178.6020 131 R 3.8014 8.0150 118.8753 59.6660 29.7786 177.7829 132 E 4.0075 8.1225 117.9766 59.2890 29.7188 178.7993 133 V 2.6073 7.3353 118.3008 65.3944 31.0226 177.7929 134 V 3.5198 7.4545 118.6693 65.6514 31.0179 177.7263 135 D 4.4833 8.1223 117.0306 56.4340 40.6705 177.1916 136 T 4.5728 7.8490 106.8805 61.3247 69.8250 174.3285 137 T 4.3371 7.7449 111.4101 60.7413 69.7124 174.6652 138 G 4.0723 7.5739 108.4996 46.3877 0.0000 173.3951 139 L 4.3343 7.2318 117.7522 53.2202 42.8511 176.8565 140 N 4.4429 8.5947 119.7776 53.2676 39.6958 175.1966 141 Q 4.0014 8.7565 129.4127 59.5942 29.0350 178.7026 142 S 4.0560 8.0818 113.1126 61.7403 62.3660 175.2088 143 H 4.1818 8.2512 120.1637 59.4680 29.5977 176.5372 144 L 3.8739 8.6332 122.7959 58.2189 41.8267 178.8695 145 S 4.0395 8.1659 112.9010 61.5745 62.4762 175.8534 146 Q 4.0685 8.3818 120.9730 59.4789 28.2709 178.9900 147 H 4.4224 8.3166 118.2594 59.4402 30.0581 177.1475 148 L 4.1449 7.9336 119.5208 57.0487 41.5329 178.2337 149 N 4.9142 8.7112 114.7399 52.5347 39.7782 174.0115 150 K 4.6480 7.9734 119.7076 54.4137 35.8331 176.8649 151 G 3.6475 8.1060 110.4283 44.0776 0.0000 171.8607 152 T 4.4498 7.6110 117.4134 61.0859 70.2075 173.3740 153 P 4.2939 0.0000 0.0000 63.0493 31.7421 175.3173 154 M 4.7539 8.1934 121.6431 52.5851 35.1915 175.6151 155 K 4.2393 8.4165 124.9236 56.8108 34.9232 177.6861 156 T 3.7554 8.5116 117.2469 67.3819 68.1707 175.9381 157 Q 3.9116 8.0890 119.5525 59.4903 29.1290 178.9310 158 K 4.0495 7.8541 118.4589 59.6450 32.4038 179.3766 159 R 3.5945 7.8003 117.8062 58.7351 29.7806 179.0668 160 A 3.7047 7.8955 120.9473 54.9889 18.5149 179.4401 161 A 3.9569 8.1227 119.6680 55.7673 18.2662 178.6804 162 L 4.0840 7.7701 118.9363 57.5254 42.0057 178.1370 163 Y 4.6948 8.0390 115.9963 61.9910 38.2104 179.0880 164 T 4.0140 8.3047 116.3745 66.7478 68.6222 176.2773 165 W 4.0298 8.3048 129.8795 60.4491 30.8687 177.1525 166 Y 3.8934 8.9394 120.0274 61.0927 38.0715 178.8130 167 V 3.3615 8.4564 112.7528 64.2223 31.6725 178.6139 168 R 3.9168 7.8412 117.4297 58.7703 29.8675 178.5787 169 K 3.7237 7.6480 120.0388 59.1174 31.6969 179.4218 170 Q 4.0418 6.9344 114.3818 56.0480 28.5579 178.4840 171 R 4.1051 8.8269 121.3749 59.0244 30.1226 177.7168 172 E 4.0913 8.0424 116.5789 57.5403 29.2108 178.4137 173 V 3.7451 7.6570 119.1840 65.2374 31.4037 177.4252 174 A 4.1914 8.6858 121.5629 55.6074 18.1243 179.4323 175 Q 4.0221 7.6912 115.2657 59.3296 28.8941 178.8967 176 Q 4.1500 8.0067 116.8222 57.7800 28.9838 177.7847 177 F 4.6118 7.6960 119.3402 59.7430 39.3727 180.2115 178 T 4.0996 10.0227 108.1353 65.7042 67.7134 176.6285 179 H 3.8892 8.8713 115.4980 58.1099 26.0857 174.1116 *201 R 4.2724 7.9370 126.8743 56.1569 32.0882 175.4428 202 N 4.8410 7.8697 116.1242 51.6517 41.4035 173.9357 203 R 4.0220 8.7019 125.3054 56.1792 30.6788 176.5823 204 F 4.4150 8.6762 124.7321 58.3779 40.1225 173.9892 205 K 3.9309 6.4155 124.8872 54.2596 34.9767 175.6863 206 W 4.2041 8.3037 125.3649 55.7329 29.3192 177.3036 207 G 3.8227 8.5111 111.0571 43.3519 0.0000 171.3151 208 P 4.2145 0.0000 0.0000 66.1123 30.8132 178.2626 209 A 4.0938 7.1650 118.6909 54.9785 18.1858 179.5574 210 S 4.2926 7.9685 111.8319 61.7158 62.9827 176.9505 211 Q 3.6514 7.9340 120.4896 58.9548 28.3493 178.7531 212 Q 3.8359 8.2153 117.2918 59.2358 28.3477 178.4442 213 I 3.9889 7.2751 121.3536 63.7796 37.0997 178.0797 214 L 3.7256 7.5369 119.7655 57.1784 40.4655 179.4302 215 F 4.5500 8.2969 117.7544 60.7958 38.7954 177.1139 216 Q 4.1207 8.3221 117.0420 58.8253 28.5006 178.2743 217 A 4.0903 7.5269 119.4361 54.2562 18.7925 176.9210 218 Y 4.7850 7.4938 115.9323 59.3498 40.4958 177.4942 219 E 4.1020 9.7147 118.2468 59.7935 29.5702 177.7039 220 R 3.8995 8.8918 120.7730 57.4830 30.9202 176.0063 221 Q 4.3215 8.2483 112.4524 55.0887 31.5991 175.7107 222 K 3.5888 8.6403 123.0288 57.2590 32.5257 175.4807 223 N 3.9572 8.0626 118.5867 53.6010 38.4427 171.8076 224 P 4.2398 0.0000 0.0000 62.1168 31.7268 175.4186 225 S 4.0030 8.0845 114.1132 59.3632 62.8591 174.9823 226 K 3.8936 8.8589 126.5920 59.1157 31.5324 178.0607 227 E 4.0861 7.4903 114.7794 58.9101 29.1955 177.9350 228 E 4.5008 9.7996 118.6929 57.1094 30.2106 177.8328 229 R 4.0930 7.7427 118.6572 58.9555 30.0071 177.8065 230 E 4.1522 7.9329 117.9417 58.4613 29.3856 178.8195 231 T 4.2396 7.4762 116.3934 65.8988 68.9169 177.0591 232 L 4.0583 8.4128 121.5875 57.6118 41.6715 179.4629 233 V 3.7001 7.9682 118.8651 65.4965 30.8668 178.2189 234 E 3.9966 8.1821 118.9999 58.4754 29.2287 178.8121 235 E 3.9716 7.8854 119.3107 59.2948 29.6732 178.7432 236 C 4.2031 8.6113 117.2013 63.0132 28.0755 175.6491 237 N 4.4615 8.5294 118.1468 56.6216 38.0321 176.8783 238 R 4.0949 7.8538 120.2008 57.9355 29.7280 178.1860 239 A 3.9648 7.9686 120.2922 55.8732 18.5478 179.0238 240 E 3.8682 8.5836 116.8545 60.2493 29.3521 179.4198 241 C 4.0432 7.5940 114.3881 63.0335 28.4205 176.1454 242 I 3.8794 7.7967 121.4360 63.9727 36.8289 177.8358 243 Q 4.0648 9.0660 119.6075 58.0834 29.8974 177.8862 244 R 4.4226 7.8143 117.2903 53.8847 27.6119 177.9950 245 G 3.6921 8.0768 112.3947 47.6335 0.0000 176.0844 246 V 3.2441 7.7694 121.5463 61.2187 29.7871 174.9765 247 S 4.7067 8.4273 121.5437 57.5600 63.2359 173.4185 248 P 4.7740 0.0000 0.0000 61.6968 29.0048 176.4178 249 S 4.0269 8.4805 121.5594 62.4860 62.8662 176.4323 250 Q 4.3361 8.0834 118.1644 55.8918 28.4649 176.0544 251 A 4.6011 8.2764 122.7126 49.6260 18.3818 177.5796 252 Q 4.2610 8.1719 127.5515 55.5524 28.3676 178.0983 253 G 3.8124 7.7543 107.1400 47.2681 0.0000 175.0018 254 L 4.1800 8.0871 119.6936 55.6822 43.6092 180.5162 255 G 3.9011 7.9379 105.5331 46.1713 0.0000 176.7385 256 S 4.1867 9.2918 118.7980 60.7579 63.1644 174.7701 257 N 5.0061 8.5606 116.9628 52.7565 38.3518 174.5190 258 L 4.0421 7.7783 122.0700 54.3468 42.1704 176.9911 259 V 3.2481 8.4874 126.5811 63.4006 32.2517 174.9581 260 T 4.7214 7.7407 115.3904 58.6291 72.1705 174.2292 261 E 3.9903 9.0136 121.1128 60.1482 29.0972 179.6174 262 V 3.6480 7.7917 118.8105 66.1785 31.5980 177.0892 263 R 4.0919 8.1331 117.0377 59.0073 29.7094 178.9610 264 V 4.0743 8.2673 112.1749 65.7511 31.7883 177.4025 265 Y 4.3719 8.2690 119.7227 60.3117 38.5447 177.2209 266 N 4.1521 9.1947 117.3139 56.8676 38.9271 176.6585 267 W 4.2645 9.1658 129.9578 60.0923 30.6105 177.5703 268 F 3.9315 9.2842 117.2767 61.1341 38.6957 177.2383 269 A 3.8571 8.8290 120.2465 55.8016 17.8010 179.0253 270 N 4.0835 8.8330 114.8288 56.4914 39.0337 177.0450 271 R 3.4382 7.7282 119.7565 59.5351 29.8751 178.2805 272 R 4.2031 7.8651 118.9289 58.7701 30.0023 178.8207 273 K 4.1078 7.8650 115.3028 57.8620 32.0740 178.1164 274 E 4.0819 7.9402 120.0321 57.3286 31.0113 176.6672 275 E 4.2477 8.1439 120.7866 55.1769 28.4282 174.8804 276 A 4.7461 7.0959 123.4323 50.3554 21.8626 175.8395 277 F 3.9985 9.0577 114.7595 58.6063 39.1955 175.4254 278 R 4.2153 8.4489 124.8823 56.4068 30.2260 174.7033 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 85 I 8.01 4.15 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 1.47 1.07 0.91 0.00 0.00 86 L 7.72 3.98 0.00 1.82 1.67 0.93 0.21 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 87 K 8.36 4.65 0.00 1.73 1.74 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.39 7.81 88 E 8.09 4.69 0.00 1.97 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 89 L 8.12 4.28 0.00 1.63 1.66 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 90 E 7.87 4.60 0.00 1.80 1.83 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 2.14 2.31 0.00 91 N 9.05 4.18 0.00 2.64 2.81 0.00 0.00 6.93 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 L 7.53 4.55 0.00 1.59 1.55 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 93 S 7.33 4.59 0.00 4.15 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 94 P 0.00 4.22 0.00 2.17 2.02 0.00 3.63 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 95 E 8.02 3.85 0.00 1.89 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 2.36 2.27 0.00 96 E 8.23 3.81 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 97 A 8.30 4.30 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 98 A 8.03 3.94 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 99 H 8.68 4.22 0.00 3.26 3.32 0.00 5.65 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 Q 7.72 3.94 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.67 0.00 101 K 8.42 3.87 0.00 1.81 2.00 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.49 7.81 102 A 7.66 4.01 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 0.00 103 V 7.94 3.70 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 0.73 0.00 0.00 1.00 0.00 0.00 104 V 7.77 3.82 2.27 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 0.95 0.00 0.00 1.08 0.00 0.00 105 E 7.87 4.03 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 106 T 8.21 4.14 4.41 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 1.19 0.00 0.00 107 L 7.95 3.56 0.00 1.38 1.04 0.89 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.17 4.49 0.00 1.94 1.83 1.02 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 109 Q 8.57 4.52 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.84 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 110 E 7.28 4.02 0.00 2.08 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 2.34 2.37 0.00 111 D 8.55 4.47 0.00 2.77 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 4.40 0.00 2.35 2.28 0.00 3.75 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 2.21 2.29 0.00 113 W 8.44 4.38 0.00 3.43 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.12 3.52 0.00 1.90 1.86 0.00 3.26 0.00 0.00 2.85 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 115 V 7.77 3.30 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 0.31 0.00 0.00 0.79 0.00 0.00 116 A 7.72 3.87 1.30 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 0.00 117 K 7.67 3.44 0.00 1.43 1.54 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.64 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.83 0.21 7.81 118 M 7.55 3.95 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.51 0.00 119 V 7.93 3.05 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 1.12 0.00 0.00 0.21 0.00 0.00 120 K 8.79 3.93 0.00 1.80 1.97 0.00 1.92 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.49 7.81 121 S 8.27 3.83 0.00 4.05 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 Y 8.24 4.04 0.00 3.42 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 L 8.41 4.14 0.00 2.02 1.82 0.97 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 124 Q 8.95 3.96 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.72 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 125 Q 8.03 3.93 0.00 1.82 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.09 0.00 0.00 0.00 0.00 0.00 2.61 2.52 0.00 126 H 7.88 4.36 0.00 2.84 3.16 0.00 5.80 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 N 7.87 4.07 0.00 2.63 3.06 0.00 0.00 7.03 7.77 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 0.00 128 I 7.87 4.39 2.07 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.94 1.21 0.00 0.00 129 P 0.00 4.26 0.00 2.21 2.20 0.00 3.79 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 2.11 2.11 0.00 130 Q 9.02 3.81 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.88 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 131 R 8.02 3.80 0.00 1.85 1.91 0.00 3.40 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.64 0.00 132 E 8.12 4.01 0.00 2.03 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 0.00 2.46 2.42 0.00 133 V 7.34 2.61 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 0.50 0.00 0.00 -0.52 0.00 0.00 134 V 7.45 3.52 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.89 0.00 0.00 135 D 8.12 4.48 0.00 2.66 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 0.00 136 T 7.85 4.57 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 0.00 137 T 7.74 4.34 4.18 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 1.10 0.00 0.00 138 G 7.57 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 L 7.23 4.33 0.00 1.53 1.56 0.85 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 140 N 8.59 4.44 0.00 2.84 2.75 0.00 0.00 6.59 7.12 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 0.00 141 Q 8.76 4.00 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.65 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 142 S 8.08 4.06 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 0.00 143 H 8.25 4.18 0.00 3.25 3.48 0.00 5.93 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 L 8.63 3.87 0.00 1.69 1.77 0.87 -0.12 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 0.00 145 S 8.17 4.04 0.00 4.16 4.11 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 0.00 146 Q 8.38 4.07 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.59 0.00 0.00 0.00 0.00 0.00 2.60 2.56 0.00 147 H 8.32 4.42 0.00 3.10 3.43 0.00 5.77 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 0.00 148 L 7.93 4.14 0.00 1.86 1.72 0.91 0.79 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 0.00 149 N 8.71 4.91 0.00 2.66 2.90 0.00 0.00 6.72 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 K 7.97 4.65 0.00 1.71 1.71 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.47 7.81 151 G 8.11 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 0.00 0.00 0.00 152 T 7.61 4.45 4.46 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 1.28 0.00 0.00 153 P 0.00 4.29 0.00 2.17 2.07 0.00 3.71 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.95 0.00 154 M 8.19 4.75 0.00 1.70 1.63 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 155 K 8.42 4.24 0.00 2.01 1.92 0.00 1.58 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.51 7.81 156 T 8.51 3.76 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 1.22 0.00 0.00 157 Q 8.09 3.91 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.07 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 158 K 7.85 4.05 0.00 1.93 1.78 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.51 7.81 159 R 7.80 3.59 0.00 1.81 1.38 0.00 3.13 0.00 0.00 3.30 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.56 0.00 160 A 7.90 3.70 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 0.00 161 A 8.12 3.96 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 0.00 162 L 7.77 4.08 0.00 1.67 1.54 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 163 Y 8.04 4.69 0.00 3.11 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 0.00 164 T 8.30 4.01 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 1.26 0.00 0.00 165 W 8.30 4.03 0.00 3.58 3.60 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 0.00 166 Y 8.94 3.89 0.00 3.25 3.22 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 0.00 167 V 8.46 3.36 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 0.84 0.00 0.00 0.97 0.00 0.00 168 R 7.84 3.92 0.00 1.76 1.86 0.00 3.18 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 169 K 7.65 3.72 0.00 0.79 1.08 0.00 1.32 0.00 0.00 1.50 0.00 0.00 3.23 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.91 1.49 7.81 170 Q 6.93 4.04 0.00 1.86 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.71 0.00 0.00 0.00 0.00 0.00 1.33 1.74 0.00 171 R 8.83 4.11 0.00 1.82 2.25 0.00 2.76 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 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0.00 *201 R 7.94 4.27 0.00 1.85 2.10 0.00 3.25 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 202 N 7.87 4.84 0.00 2.64 2.69 0.00 0.00 7.05 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 0.00 203 R 8.70 4.02 0.00 1.87 1.90 0.00 3.31 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 204 F 8.68 4.41 0.00 3.01 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 0.00 205 K 6.42 3.93 0.00 1.48 1.39 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.33 7.81 206 W 8.30 4.20 0.00 3.36 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 0.00 207 G 8.51 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 0.00 0.00 0.00 208 P 0.00 4.21 0.00 2.24 2.32 0.00 3.72 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 2.20 2.04 0.00 209 A 7.16 4.09 1.33 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 226 K 8.86 3.89 0.00 1.85 1.86 0.00 1.68 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.55 7.81 227 E 7.49 4.09 0.00 1.97 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 2.34 2.38 0.00 228 E 9.80 4.50 0.00 2.04 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 2.25 2.18 0.00 229 R 7.74 4.09 0.00 1.89 1.98 0.00 3.35 0.00 0.00 3.68 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.95 0.00 230 E 7.93 4.15 0.00 2.07 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 2.36 2.37 0.00 231 T 7.48 4.24 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 1.23 0.00 0.00 232 L 8.41 4.06 0.00 1.94 1.79 1.17 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 233 V 7.97 3.70 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.94 0.00 0.00 234 E 8.18 4.00 0.00 2.05 2.05 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 2.41 2.51 0.00 235 E 7.89 3.97 0.00 2.18 2.05 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 2.32 2.36 0.00 236 C 8.61 4.20 0.00 3.14 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 0.00 237 N 8.53 4.46 0.00 2.90 2.91 0.00 0.00 7.12 7.60 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 0.00 238 R 7.85 4.09 0.00 2.11 1.90 0.00 3.17 0.00 0.00 3.17 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.99 0.00 239 A 7.97 3.96 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 0.00 240 E 8.58 3.87 0.00 1.96 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 2.53 2.55 0.00 241 C 7.59 4.04 0.00 3.12 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 242 I 7.80 3.88 1.98 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 1.37 1.02 0.89 0.00 0.00 243 Q 9.07 4.06 0.00 2.09 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.38 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 244 R 7.81 4.42 0.00 1.67 1.68 0.00 3.23 0.00 0.00 3.15 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.55 0.00 245 G 8.08 3.69 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 0.00 0.00 0.00 246 V 7.77 3.24 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 0.50 0.00 0.00 0.92 0.00 0.00 247 S 8.43 4.71 0.00 3.83 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 0.00 248 P 0.00 4.77 0.00 2.20 2.20 0.00 3.81 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.86 0.00 249 S 8.48 4.03 0.00 3.99 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 0.00 250 Q 8.08 4.34 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.26 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 251 A 8.28 4.60 1.24 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 0.00 0.00 0.00 252 Q 8.17 4.26 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.01 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 253 G 7.75 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 0.00 254 L 8.09 4.18 0.00 1.73 1.74 0.95 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 255 G 7.94 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 0.00 256 S 9.29 4.19 0.00 4.29 4.06 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 0.00 257 N 8.56 5.01 0.00 2.80 2.82 0.00 0.00 6.95 7.72 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 0.00 258 L 7.78 4.04 0.00 1.76 1.54 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 259 V 8.49 3.25 2.22 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 1.04 0.00 0.00 0.90 0.00 0.00 260 T 7.74 4.72 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 1.09 0.00 0.00 261 E 9.01 3.99 0.00 2.22 2.30 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 2.35 2.38 0.00 262 V 7.79 3.65 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 1.12 0.00 0.00 0.90 0.00 0.00 263 R 8.13 4.09 0.00 2.19 2.05 0.00 2.52 0.00 0.00 2.85 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.11 0.00 264 V 8.27 4.07 2.44 0.00 0.00 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 1.23 0.00 0.00 265 Y 8.27 4.37 0.00 3.23 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 0.00 266 N 9.19 4.15 0.00 3.18 3.06 0.00 0.00 6.81 7.21 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 0.00 267 W 9.17 4.26 0.00 3.40 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 268 F 9.28 3.93 0.00 3.48 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 269 A 8.83 3.86 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 0.00 270 N 8.83 4.08 0.00 2.66 2.70 0.00 0.00 7.10 7.54 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 0.00 271 R 7.73 3.44 0.00 0.67 0.77 0.00 2.22 0.00 0.00 2.66 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 272 R 7.87 4.20 0.00 2.11 2.00 0.00 3.23 0.00 0.00 3.34 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.01 0.00 273 K 7.86 4.11 0.00 1.78 1.83 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.62 7.81 274 E 7.94 4.08 0.00 1.82 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 2.18 2.21 0.00 275 E 8.14 4.25 0.00 1.95 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 2.26 2.51 0.00 276 A 7.10 4.75 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 0.00 277 F 9.06 4.00 0.00 3.01 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 278 R 8.45 4.22 0.00 1.69 1.72 0.00 3.32 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.65 0.00 * Residues marked with a * may have inaccurate shift predictions.