NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3454 8.3149 120.1414 55.3534 33.8016 175.5288 2 P 4.2972 0.0000 0.0000 61.8636 32.1093 176.3699 3 G 3.7350 9.0493 111.6222 47.9061 0.0000 175.2651 4 A 4.0044 8.1298 122.3975 55.6040 18.3922 178.7543 5 M 3.9304 7.7206 114.0050 57.8176 31.9251 176.7175 6 Y 4.8226 7.5704 112.8496 57.1332 40.3240 176.7383 7 R 4.2414 8.2462 116.7825 57.1708 29.9407 176.1217 8 N 5.1006 7.3488 116.4800 52.3959 40.2072 175.1443 9 S 4.7624 8.2353 116.6331 58.3814 63.0944 175.4949 10 S 4.3628 7.9078 114.9036 59.6322 63.8946 174.6733 11 K 4.3939 7.7218 119.9183 54.5595 33.0597 174.6137 12 P 4.4618 0.0000 0.0000 62.0620 31.9112 176.4992 13 A 4.2907 8.4925 123.9005 52.6038 18.8721 177.2097 14 Y 4.8609 8.8193 123.6937 55.8925 39.3171 175.1743 15 T 4.5280 8.0711 112.1188 60.4044 70.7917 174.9902 16 R 4.3159 7.6602 121.5151 55.2960 29.1351 177.2307 17 R 3.9047 8.3405 123.5729 58.2328 30.3044 178.7749 18 E 4.0177 7.8596 115.2484 57.8095 29.8746 177.1822 19 Y 4.9302 7.7984 115.2130 57.3913 39.6292 175.1851 20 I 4.6168 7.3957 119.9270 59.2731 39.9593 174.9192 21 S 4.7393 8.4292 118.6786 57.3710 65.8012 173.1301 22 G 3.8085 8.6280 106.4131 46.7735 0.0000 173.6765 23 I 4.0956 7.7532 120.3846 59.1909 37.9675 174.6086 24 P 4.3420 0.0000 0.0000 62.3490 31.8039 176.6067 25 G 3.7906 8.3064 110.2253 45.0868 0.0000 173.1490 26 K 4.1908 8.2387 121.2223 55.7761 32.8667 177.2401 27 K 4.1975 8.8434 123.4379 57.4795 32.5853 177.1222 28 I 3.9816 7.6351 120.0377 61.1056 37.0011 175.6908 29 A 4.1684 10.3235 130.2994 54.7646 18.4011 177.2184 30 Q 4.8229 7.5592 111.0422 54.7419 33.2932 174.4591 31 F 4.4139 8.9941 116.4409 57.5708 42.2785 174.9744 32 D 5.4948 8.3972 118.1597 52.8898 42.4276 175.8180 33 M 4.8116 9.3147 122.9003 54.0919 36.2692 176.3794 34 G 3.4582 8.8450 106.5824 46.4121 0.0000 176.5606 35 N 4.6125 8.5146 113.8872 52.1847 36.8928 175.2291 36 N 4.6687 8.1684 116.3718 53.6284 38.3831 177.5290 37 G 3.6181 8.0186 108.1702 48.0347 0.0000 174.2022 38 A 4.3967 7.5418 121.7693 51.0606 19.8373 176.7432 39 G 4.0641 8.0860 108.4394 43.1671 0.0000 172.2039 40 P 4.3476 0.0000 0.0000 62.7822 29.4446 176.9794 41 T 4.6191 7.7054 112.0781 61.3785 69.7500 174.8505 42 Y 4.7579 7.9068 117.9846 56.8343 40.6492 174.8186 43 P 4.3907 0.0000 0.0000 65.3818 31.9201 176.6627 44 A 5.6665 8.1877 119.6950 49.8732 21.8977 176.0178 45 Q 4.4635 8.4908 121.2224 54.8594 31.8194 173.5972 46 V 4.8850 8.0742 126.8198 61.4798 34.2424 174.3432 47 E 4.9698 10.0989 125.0124 54.4875 34.4482 174.3003 48 L 4.3433 7.9179 124.6480 53.3748 44.0082 175.2327 49 V 4.6780 8.6130 127.9345 60.9350 32.7305 175.1400 50 V 3.8736 8.2636 128.7444 63.1288 32.4055 175.8846 51 E 4.6215 8.4653 125.4569 56.0261 30.1471 176.0785 52 K 4.5179 7.5742 117.7300 54.2699 36.1896 173.7298 53 P 4.5991 0.0000 0.0000 63.1837 31.9144 175.9245 54 V 4.5641 8.8442 116.3989 60.7837 36.8044 172.5390 55 Q 5.0056 8.8076 120.4460 54.3864 31.3667 175.2936 56 I 4.5376 8.6180 124.6911 59.1735 40.0410 175.6029 57 R 4.4308 8.6258 126.9637 56.2301 30.7575 177.8367 58 H 4.1683 9.0034 117.9413 58.7676 28.1169 177.3432 59 N 4.0988 8.0139 118.9883 56.5116 38.3938 176.7675 60 A 4.0106 7.8323 121.2851 54.9873 18.5218 179.4283 61 L 3.8248 7.9196 117.5485 58.0108 41.6571 179.3338 62 E 3.8681 8.1926 118.8339 59.2868 29.5731 178.7548 63 A 3.9728 8.0392 120.5824 54.9017 18.4069 179.5503 64 A 3.9675 8.4857 119.7845 55.2530 18.5218 179.7612 65 R 3.8461 8.5070 117.6339 59.6233 30.2480 178.5545 66 V 3.5743 8.0852 118.0072 66.3217 31.3070 177.7856 67 A 4.1756 7.9545 118.3721 54.8185 18.2070 179.2111 68 A 4.3928 7.6616 120.1947 54.4464 19.0482 179.3020 69 N 3.9346 8.5507 115.8444 56.7544 38.9003 176.9848 70 R 3.9162 8.3990 119.2006 59.3972 30.2107 177.1779 71 Y 4.2932 7.6284 119.3456 59.4977 38.4216 177.3530 72 V 3.3109 7.2905 116.3942 62.3434 31.6834 176.7145 73 Q 4.3475 7.6056 119.7072 56.0914 27.7616 175.3249 74 N 4.6956 7.3508 112.7582 53.0864 40.7987 174.0785 75 S 4.5100 7.6725 110.4765 58.0839 65.3471 174.9570 76 G 3.9859 8.3916 107.4362 44.7593 0.0000 174.2095 77 A 4.0960 8.6101 123.9153 54.4893 18.3190 178.2794 78 A 4.6547 7.6434 116.9854 51.4543 19.6481 175.9346 79 A 4.2024 8.1742 122.9290 54.0423 19.0141 178.9618 80 N 4.7584 8.3028 119.1632 51.8810 37.7138 173.2080 81 Y 4.7890 7.0382 119.5020 55.5961 41.3680 173.1024 82 K 5.0627 8.3721 118.9425 55.1742 36.1316 174.6196 83 F 5.8468 9.5306 126.3864 56.6861 42.2202 174.1153 84 R 5.2043 9.3699 124.5721 54.5507 34.0672 173.9438 85 I 4.5029 8.3183 125.1467 59.3962 38.1367 175.5029 86 R 4.4316 8.5963 127.0308 57.5066 30.0683 176.8895 87 K 4.7696 7.8428 119.0463 54.9029 33.9759 175.5184 88 F 4.7060 8.5108 120.0639 54.8013 41.7452 174.3522 89 P 4.5643 0.0000 0.0000 62.7487 29.6880 175.4581 90 F 4.5495 8.2473 124.5937 59.9026 40.1002 175.9259 91 H 4.6589 8.2759 121.4412 55.8928 30.3689 174.9979 92 V 4.3958 8.5545 127.5873 62.6766 32.2821 175.2036 93 I 4.6680 8.9664 121.0006 59.2782 40.3488 175.0387 94 R 5.2686 8.4913 123.4227 54.1407 33.3014 174.6665 95 E 4.5726 8.2443 119.0808 55.3753 33.3905 173.9833 96 N 5.1995 8.8371 126.1987 52.0059 37.8346 173.2933 97 K 4.5525 7.6946 123.3159 54.2836 32.0413 175.4857 *109 D 4.4794 7.7982 122.3440 54.9064 43.9556 171.9935 110 G 4.1895 8.9478 116.3958 46.3565 0.0000 173.2183 111 M 4.3842 9.1338 119.0031 54.8273 33.3419 176.0211 112 R 3.9953 7.8524 119.5983 57.0411 31.4977 176.0257 113 A 3.8113 8.5089 126.7216 52.8246 15.7927 175.0671 114 P 4.9679 0.0000 0.0000 61.9820 32.6247 176.6255 115 F 3.8841 8.3010 122.0866 58.5636 39.1870 174.6217 116 G 3.9407 8.0303 115.7303 46.2226 0.0000 171.5048 117 K 4.8555 8.5132 118.6456 54.0220 35.1851 174.3166 118 P 4.5936 0.0000 0.0000 63.7668 31.2371 176.3565 119 V 4.3194 8.6867 116.0600 60.6296 34.2368 175.4257 120 G 4.0428 7.1104 105.3850 46.4797 0.0000 171.8868 121 T 5.3133 7.6728 107.7957 60.2107 72.7900 172.7025 122 A 5.1124 9.2566 123.3174 50.7830 23.5277 174.6064 123 A 4.9499 8.8777 121.5176 50.3113 21.5577 176.3849 124 R 4.7097 8.6817 121.8490 55.3101 31.1812 176.0498 125 V 4.4359 8.6525 124.7691 61.3114 34.3600 174.5522 126 H 4.7551 8.9772 124.5949 54.1287 30.0434 174.9039 127 G 3.8493 8.5288 110.9854 47.7842 0.0000 173.4756 128 A 3.9310 9.9985 127.3860 51.5474 18.2159 177.9096 129 N 4.8049 8.0036 113.5464 52.8667 40.3899 173.6617 130 H 5.1249 8.1814 116.4268 54.3716 29.8678 174.5016 131 I 3.8959 8.4709 123.0091 62.1285 39.4193 175.2278 132 F 5.3595 7.5919 119.1452 55.5726 43.0639 174.5219 133 I 5.0181 8.9643 122.4634 59.8980 41.0787 174.1056 134 A 5.4542 9.3624 128.4955 49.8873 22.9425 174.7381 135 W 5.0338 9.1294 119.2001 54.8182 32.4332 175.3015 136 V 4.9054 8.8382 123.3713 60.1696 34.8648 174.5401 137 N 5.0711 8.9029 118.8914 51.5734 40.1463 172.9261 138 P 4.4520 0.0000 0.0000 62.4190 30.6408 176.7065 139 D 4.6139 7.5188 124.0897 52.4403 42.0173 176.5462 140 P 4.4637 0.0000 0.0000 62.9773 29.4030 176.6668 141 N 4.7124 7.8773 119.0993 53.5942 39.7929 176.7160 142 V 3.0771 7.2393 120.8431 64.5517 31.1731 177.9444 143 E 3.8374 7.8156 117.8014 58.9782 29.3928 178.2825 144 E 4.0283 7.8221 118.3990 58.4628 29.7737 178.0270 145 A 3.8534 7.7177 120.5691 53.9868 18.3268 178.8393 146 W 4.7898 7.7938 116.6042 58.2501 29.5065 178.6224 147 R 3.9885 7.5376 118.5497 59.1615 29.8872 178.1546 148 R 4.1091 7.8594 116.8941 58.0621 30.2985 178.6416 149 A 4.1745 7.8261 120.8632 54.8938 18.4084 178.9452 150 K 4.1841 7.7745 113.2864 58.0718 32.6990 177.3520 151 M 4.2275 7.5428 119.0406 56.9324 32.5769 176.8142 152 K 4.6496 7.9194 116.5961 55.8617 32.8157 175.9729 153 V 4.5280 7.4741 110.8759 59.5332 35.1955 175.5395 154 T 4.0041 8.9232 121.2258 66.3347 68.3459 173.0835 155 P 4.5020 0.0000 0.0000 62.6241 32.4989 175.6122 156 T 4.3851 8.1005 115.2034 63.4820 69.8392 173.9758 157 I 5.1066 8.1556 123.5706 59.6325 41.9705 173.9319 158 N 4.9016 8.9211 122.3975 52.0053 41.3169 173.3752 159 I 4.7741 8.5186 127.5605 60.4353 37.9566 174.3394 160 D 4.9942 9.0890 128.0272 52.3569 43.5911 174.6586 161 S 4.9029 8.7235 120.0231 58.5201 63.9958 171.0304 162 S 4.3452 9.4333 122.9887 58.8233 63.8860 173.8074 163 P 4.3574 0.0000 0.0000 64.0138 32.4024 175.7018 164 A 4.7341 8.0053 126.9287 52.3104 19.9023 175.6459 165 G 4.0877 8.2632 109.2971 45.2722 0.0000 172.5713 166 N 4.6944 7.9700 116.0981 51.5790 37.6420 175.1761 167 A 4.2942 7.5884 124.3755 52.3050 19.1988 177.4300 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 K 8.31 4.35 0.00 1.90 1.92 0.00 1.99 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.54 7.81 2 P 0.00 4.30 0.00 2.25 1.97 0.00 3.62 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 2.11 2.15 0.00 3 G 9.05 3.74 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 0.00 0.00 0.00 4 A 8.13 4.00 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 5 M 7.72 3.93 0.00 1.07 1.92 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.29 0.00 6 Y 7.57 4.82 0.00 3.04 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 R 8.25 4.24 0.00 2.02 2.29 0.00 3.03 0.00 0.00 3.27 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.56 0.00 8 N 7.35 5.10 0.00 2.66 2.77 0.00 0.00 6.90 7.45 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 9 S 8.24 4.76 0.00 3.82 3.84 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 10 S 7.91 4.36 0.00 3.97 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.72 4.39 0.00 1.85 1.81 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.47 7.81 12 P 0.00 4.46 0.00 2.12 2.04 0.00 3.70 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 2.06 2.11 0.00 13 A 8.49 4.29 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 14 Y 8.82 4.86 0.00 2.95 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 15 T 8.07 4.53 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 1.39 0.00 0.00 16 R 7.66 4.32 0.00 2.12 2.22 0.00 3.58 0.00 0.00 3.34 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.73 0.00 17 R 8.34 3.90 0.00 1.80 1.92 0.00 3.11 0.00 0.00 3.37 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.59 0.00 18 E 7.86 4.02 0.00 1.50 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 1.56 1.47 0.00 19 Y 7.80 4.93 0.00 2.93 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.40 4.62 1.74 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.64 0.86 0.00 0.00 21 S 8.43 4.74 0.00 3.93 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 22 G 8.63 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 23 I 7.75 4.10 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.58 0.88 0.00 0.00 24 P 0.00 4.34 0.00 2.00 1.99 0.00 3.65 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.08 0.00 25 G 8.31 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 0.00 0.00 0.00 26 K 8.24 4.19 0.00 1.72 1.76 0.00 1.85 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.59 1.51 7.81 27 K 8.84 4.20 0.00 1.73 1.82 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.50 7.81 28 I 7.64 3.98 1.87 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.43 0.19 0.00 0.00 29 A 10.32 4.17 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 30 Q 7.56 4.82 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 31 F 8.99 4.41 0.00 3.08 3.12 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 32 D 8.40 5.49 0.00 2.66 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 M 9.31 4.81 0.00 2.18 2.36 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.75 0.00 34 G 8.84 3.46 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 0.00 35 N 8.51 4.61 0.00 2.76 2.80 0.00 0.00 7.18 6.65 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 36 N 8.17 4.67 0.00 2.86 2.99 0.00 0.00 6.32 7.00 0.00 0.00 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 G 8.02 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 38 A 7.54 4.40 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 39 G 8.09 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 0.00 0.00 0.00 40 P 0.00 4.35 0.00 1.64 0.77 0.00 3.42 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.02 0.00 41 T 7.71 4.62 4.14 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 1.18 0.00 0.00 42 Y 7.91 4.76 0.00 3.17 3.27 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 43 P 0.00 4.39 0.00 2.13 2.17 0.00 4.08 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 2.12 0.00 44 A 8.19 5.67 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 45 Q 8.49 4.46 0.00 2.33 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.79 0.00 0.00 0.00 0.00 0.00 2.03 1.46 0.00 46 V 8.07 4.89 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 1.27 0.00 0.00 0.85 0.00 0.00 47 E 10.10 4.97 0.00 1.68 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 2.06 2.32 0.00 48 L 7.92 4.34 0.00 0.27 0.96 0.80 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.61 4.68 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 1.01 0.00 0.00 0.91 0.00 0.00 50 V 8.26 3.87 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 0.88 0.00 0.00 0.85 0.00 0.00 51 E 8.47 4.62 0.00 2.04 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 52 K 7.57 4.52 0.00 1.68 1.64 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.34 1.44 7.81 53 P 0.00 4.60 0.00 1.83 1.69 0.00 3.66 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.18 0.00 54 V 8.84 4.56 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 0.67 0.00 0.00 0.95 0.00 0.00 55 Q 8.81 5.01 0.00 2.22 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.73 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 56 I 8.62 4.54 1.82 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 1.20 0.75 0.85 0.00 0.00 57 R 8.63 4.43 0.00 1.84 1.82 0.00 2.90 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 58 H 9.00 4.17 0.00 3.33 3.51 0.00 5.28 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.01 4.10 0.00 2.73 2.82 0.00 0.00 7.05 7.91 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 60 A 7.83 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 61 L 7.92 3.82 0.00 1.76 1.55 0.72 0.54 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 62 E 8.19 3.87 0.00 2.04 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 2.37 2.36 0.00 63 A 8.04 3.97 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 64 A 8.49 3.97 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 R 8.51 3.85 0.00 2.21 2.01 0.00 3.21 0.00 0.00 3.06 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.86 0.00 66 V 8.09 3.57 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 0.97 0.00 0.00 1.03 0.00 0.00 67 A 7.95 4.18 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 68 A 7.66 4.39 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.55 3.93 0.00 2.97 2.90 0.00 0.00 6.94 7.36 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 70 R 8.40 3.92 0.00 1.88 2.05 0.00 3.33 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 71 Y 7.63 4.29 0.00 3.06 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 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6.82 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 81 Y 7.04 4.79 0.00 3.13 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.37 5.06 0.00 1.98 2.08 0.00 1.41 0.00 0.00 1.58 0.00 0.00 2.85 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.08 1.58 7.81 83 F 9.53 5.85 0.00 3.31 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 84 R 9.37 5.20 0.00 2.12 1.99 0.00 3.38 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 1.81 2.07 0.00 85 I 8.32 4.50 1.65 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 -0.04 0.49 0.00 0.00 86 R 8.60 4.43 0.00 1.97 2.16 0.00 3.20 0.00 0.00 3.44 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.72 0.00 87 K 7.84 4.77 0.00 1.65 1.78 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.29 1.32 7.81 88 F 8.51 4.71 0.00 2.18 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 0.00 0.00 0.00 0.00 89 P 0.00 4.56 0.00 2.12 2.06 0.00 3.71 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 1.90 1.96 0.00 90 F 8.25 4.55 0.00 3.17 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 91 H 8.28 4.66 0.00 3.40 3.39 0.00 5.77 0.00 0.00 0.00 0.00 6.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.55 4.40 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 0.89 0.00 0.00 0.86 0.00 0.00 93 I 8.97 4.67 1.62 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.25 0.97 0.00 0.00 94 R 8.49 5.27 0.00 1.50 1.78 0.00 2.48 0.00 0.00 2.25 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.22 0.00 95 E 8.24 4.57 0.00 2.18 1.79 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 2.31 2.34 0.00 96 N 8.84 5.20 0.00 2.91 2.66 0.00 0.00 6.81 5.99 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 125 V 8.65 4.44 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 1.02 0.00 0.00 0.87 0.00 0.00 126 H 8.98 4.76 0.00 3.28 3.21 0.00 5.89 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.53 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 A 10.00 3.93 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 0.00 129 N 8.00 4.80 0.00 2.73 2.66 0.00 0.00 6.52 8.31 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 0.00 130 H 8.18 5.12 0.00 3.01 3.19 0.00 5.52 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 0.00 131 I 8.47 3.90 1.63 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.99 0.65 0.00 0.00 132 F 7.59 5.36 0.00 2.21 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 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141 N 7.88 4.71 0.00 2.52 2.69 0.00 0.00 6.75 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 0.00 142 V 7.24 3.08 1.44 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 0.49 0.00 0.00 -0.42 0.00 0.00 143 E 7.82 3.84 0.00 1.85 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 2.34 0.00 144 E 7.82 4.03 0.00 2.01 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 2.13 1.81 0.00 145 A 7.72 3.85 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 W 7.79 4.79 0.00 3.45 3.15 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 0.00 147 R 7.54 3.99 0.00 1.73 1.98 0.00 3.21 0.00 0.00 3.31 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 148 R 7.86 4.11 0.00 1.78 1.87 0.00 2.79 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 149 A 7.83 4.17 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 0.00 150 K 7.77 4.18 0.00 1.94 1.93 0.00 1.69 0.00 0.00 1.93 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.59 7.81 151 M 7.54 4.23 0.00 2.12 2.28 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 2.56 2.52 0.00 152 K 7.92 4.65 0.00 1.79 1.77 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.37 7.81 153 V 7.47 4.53 2.06 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 0.75 0.00 0.00 0.93 0.00 0.00 154 T 8.92 4.00 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 0.00 155 P 0.00 4.50 0.00 2.15 2.04 0.00 3.62 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 156 T 8.10 4.39 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 157 I 8.16 5.11 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.76 0.86 0.00 0.00 158 N 8.92 4.90 0.00 2.89 2.63 0.00 0.00 7.51 8.10 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 0.00 159 I 8.52 4.77 1.96 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 1.43 0.79 1.16 0.00 0.00 160 D 9.09 4.99 0.00 2.71 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.72 4.90 0.00 3.93 3.75 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 0.00 162 S 9.43 4.35 0.00 3.91 3.66 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 0.00 0.00 0.00 0.00 163 P 0.00 4.36 0.00 2.31 2.12 0.00 3.78 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.19 0.00 164 A 8.01 4.73 1.26 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 0.00 0.00 0.00 165 G 8.26 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 N 7.97 4.69 0.00 2.74 2.81 0.00 0.00 7.01 7.35 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 0.00 167 A 7.59 4.29 1.23 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.