NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Y 4.7665 8.1449 121.6850 58.7104 40.1524 174.6494 3 R 3.2725 8.3369 124.5524 54.7356 27.6190 173.4441 4 P 4.5176 0.0000 0.0000 61.5968 34.0602 174.8745 5 K 3.9438 8.5972 116.7179 58.8811 32.0343 176.3059 6 D 4.5731 8.9667 121.8310 55.7056 38.2785 173.0276 7 H 4.8338 8.2890 116.5170 54.2383 30.1372 174.6103 8 G 4.2115 8.7550 111.0973 45.4464 0.0000 171.1635 9 W 5.1667 7.5894 115.8513 55.7792 31.7874 172.9673 10 V 5.0102 9.2712 120.0304 60.9542 33.8110 173.8913 11 E 5.4946 9.4437 125.7353 54.6245 32.7266 174.9155 12 V 4.9558 9.1802 122.2420 61.1872 35.3503 174.2940 13 I 4.8990 9.1184 127.3948 59.8653 39.7837 174.9580 14 V 5.5217 9.3723 120.1641 57.6950 35.9847 175.6976 15 G 4.4611 8.3531 111.3231 44.0781 0.0000 171.0270 16 P 4.1947 0.0000 0.0000 64.9078 29.1958 177.1130 *18 Y 4.6749 8.4588 114.4806 56.7524 40.3367 177.0553 19 S 4.3733 7.9868 115.4456 59.7498 63.5146 175.2189 20 G 4.2132 7.7512 109.6324 45.6298 0.0000 175.7769 21 K 3.9212 8.4107 121.1158 59.4498 32.0227 179.2776 22 S 4.1372 7.9576 114.8428 61.4353 62.8254 176.1521 23 E 3.9257 8.1078 121.5811 59.2284 29.4551 178.3928 24 E 3.9071 8.3797 119.4289 59.0727 29.7608 178.3559 25 L 3.9379 8.2832 120.7982 58.4616 42.1862 179.0546 26 I 3.7143 8.1995 120.0103 64.2823 37.0474 178.4610 27 R 3.8903 7.9772 119.6308 59.5789 29.9626 178.9011 28 R 4.0042 8.1807 117.8312 59.1142 30.1182 179.1362 29 I 3.7636 7.8236 119.9319 64.3667 37.1115 178.6716 30 R 3.9926 8.1037 119.0226 59.0701 29.8586 179.3736 31 R 3.9025 7.9897 117.6876 59.1926 30.0366 178.8941 32 A 4.0500 8.0636 120.5909 55.0646 18.2960 179.8837 33 K 3.9263 7.9705 116.6849 59.6956 31.8972 179.7048 34 I 3.7830 7.5312 118.8876 63.8050 37.0656 177.3972 35 A 4.2632 7.7590 119.0801 51.4095 18.5678 177.0230 36 K 3.8574 7.9618 116.0064 57.9160 29.9677 175.4892 37 Q 4.6709 8.0008 117.1413 53.7882 30.8287 176.1447 38 K 4.1405 8.5849 125.5427 56.4450 33.3592 175.2485 39 I 5.1461 8.2901 126.7362 59.2858 41.3757 174.0072 40 Q 4.5274 8.8538 126.7024 53.9610 31.9460 174.5285 41 V 4.6554 7.8745 122.7775 61.1039 34.4876 174.2035 42 F 5.7327 8.9909 124.7068 54.9054 43.6721 173.8011 43 K 5.0548 8.5233 118.4503 54.4296 37.0013 174.9217 44 P 3.9505 0.0000 0.0000 62.7119 30.8097 174.3611 45 E 3.4820 7.8877 122.2142 56.1807 26.7413 172.9243 *65 A 4.0792 7.7831 125.4302 51.3939 18.9451 174.5854 66 V 4.2136 8.4085 117.9088 59.8754 33.9688 173.8923 67 A 4.4639 8.4634 128.9532 52.0946 18.9854 176.1120 68 I 4.6024 8.1666 113.7224 58.4812 41.2916 177.0527 69 K 4.7221 8.2660 130.1678 55.2541 30.1677 180.2898 70 N 4.6376 8.8455 129.4655 54.1018 37.3278 174.8745 71 S 4.2326 8.6053 112.2251 61.2985 63.1466 176.4385 72 R 4.0585 8.0267 120.2144 58.0078 30.0934 176.7100 73 E 4.3519 7.9509 118.0474 57.3136 29.7605 177.7053 74 I 3.2121 7.4010 119.6595 64.7955 37.0269 177.9085 75 L 4.0144 7.7443 118.2819 57.7923 41.4710 178.8501 76 K 4.0126 7.3390 117.2765 60.0761 32.2845 178.1794 77 Y 4.3744 8.0211 115.1508 58.6734 38.0429 176.1661 78 F 4.5393 7.8706 123.2035 58.5091 39.8414 173.8577 79 E 4.2501 9.0391 128.6879 54.4086 30.2845 177.0555 80 E 3.6852 8.4096 123.9718 58.6713 29.7405 177.8724 81 D 4.3873 7.6718 117.6171 56.5083 41.6552 176.5208 82 T 4.2332 7.5856 109.5756 61.5963 69.6710 173.9761 83 E 4.5313 9.1171 123.0114 56.7614 32.1855 175.9415 84 V 4.8099 7.6606 119.0460 60.8993 35.1181 174.1680 85 I 5.0219 9.0975 128.4827 59.5417 39.8238 174.1591 86 A 5.1831 8.9279 129.5712 50.1665 21.5880 175.2368 87 I 4.9073 9.2062 123.4036 59.6701 40.1521 174.5817 88 D 4.9704 8.9835 127.1489 52.7238 43.4521 175.1850 89 E 3.8531 8.7335 118.4637 57.0421 27.4658 177.5408 90 V 4.0797 8.0642 113.9704 64.5263 31.8802 178.7536 91 Q 3.9384 7.6215 115.9946 57.8342 28.3296 176.9010 92 F 4.6273 7.4026 116.6026 58.6805 39.4942 176.1983 93 F 4.4071 7.8593 119.4069 56.4860 39.6191 174.7228 94 D 4.7457 8.5042 122.2393 52.9195 40.3646 176.9773 95 D 4.5190 8.5694 118.2833 56.8274 40.5968 178.6076 96 E 3.9988 8.4089 119.6963 59.1068 29.2585 178.6036 97 I 3.5033 7.6943 118.5210 64.1817 37.7756 177.8707 98 V 3.5092 7.5987 118.3127 65.8919 31.3039 177.5995 99 E 3.8598 8.0398 118.3536 59.3144 29.5039 178.4554 100 I 3.5482 7.5715 119.7292 64.4142 37.1951 178.4553 101 V 3.4344 7.8705 119.1092 66.1673 31.2892 177.7295 102 N 4.2971 8.2034 116.0785 56.2442 38.4577 177.4943 103 K 3.8998 8.2781 120.1623 59.6046 31.9463 179.4682 104 I 3.4934 7.8584 119.9643 64.1930 36.9523 178.4208 105 A 4.4728 7.8986 123.0751 54.5035 17.9908 179.3021 106 E 4.0120 8.3558 117.6909 58.7651 29.7079 178.1273 107 S 4.5804 7.4870 112.0228 58.1819 63.2628 174.5508 108 G 3.8926 8.0513 109.7924 46.0194 0.0000 173.4080 109 R 4.6112 7.5061 117.6134 53.8944 34.1526 174.5948 110 R 3.7621 8.0559 120.9245 54.6643 31.8598 175.0691 111 V 4.7303 7.9192 125.6812 61.0856 34.5705 173.9328 112 I 4.8484 8.9682 129.1050 59.9047 39.5226 174.2431 113 C 5.3360 9.2138 125.3282 57.8170 31.0779 172.9738 114 A 5.1163 8.7459 124.5541 50.2274 22.0009 175.2341 115 G 4.0947 8.5124 107.1203 45.2344 0.0000 172.8304 116 L 4.8690 8.8370 121.5465 54.1315 42.1918 177.3501 117 D 4.4867 8.7989 121.3455 54.0409 40.2258 175.5291 *119 D 4.5265 7.6001 119.7249 52.9459 40.2816 175.6604 120 F 4.8346 8.6356 112.0958 59.4546 37.7960 176.2212 121 R 3.8216 7.0934 118.2548 56.4548 30.1593 176.9587 122 G 3.8784 8.2758 106.4463 45.7111 0.0000 173.2833 123 K 4.4497 7.8896 118.2439 53.3375 33.6009 174.9224 124 P 4.2178 0.0000 0.0000 63.3556 31.9215 175.5268 125 F 4.7283 9.3167 126.1509 57.5988 40.3759 175.2549 126 G 3.8761 8.7903 119.9046 46.7383 0.0000 171.5667 127 P 4.6526 0.0000 0.0000 62.8930 31.6382 177.8677 128 I 3.6759 7.6436 121.1970 64.4745 37.0226 175.8839 129 P 4.4233 0.0000 0.0000 65.8964 31.5937 178.2493 130 E 4.1945 8.1368 116.6588 59.0524 29.3612 179.1734 131 L 4.0404 7.8994 117.0056 55.1420 41.3832 178.8509 *133 A 4.2626 7.9454 123.6967 52.0602 20.1972 178.8999 134 I 4.0139 7.5485 106.5242 61.9500 38.4135 176.3525 135 A 4.3041 7.7107 124.8274 52.1625 18.7457 177.3743 136 E 4.0615 8.9315 121.9747 58.3768 30.4702 177.6075 137 F 5.0041 8.2144 117.7378 55.4805 42.5498 174.5843 138 V 4.8584 8.6713 122.5927 61.2696 34.1612 174.1063 139 D 4.9276 9.2675 128.3829 52.5222 43.4632 174.9696 140 K 4.9456 8.7646 126.0419 54.8722 32.9602 175.4565 141 I 4.6646 9.0276 121.2456 59.3311 40.7767 174.4278 142 Q 4.8628 8.6129 120.6208 54.4945 32.1941 175.3840 143 A 4.8763 8.4341 123.2717 50.7736 22.5329 175.0421 144 I 4.6495 8.1024 115.6729 59.6089 39.8321 175.5212 145 C 4.4936 9.0537 128.1687 59.3071 31.7728 174.8232 146 V 3.7257 8.2584 120.8699 63.4617 31.5572 177.7062 147 V 3.9578 7.8321 119.1601 64.5095 31.8189 176.1058 148 C 4.6807 8.2394 110.1844 57.2525 31.0631 174.6394 149 G 3.9341 8.3644 109.0331 45.1296 0.0000 173.2684 150 N 4.7517 7.7427 116.8604 51.8325 40.4341 172.4898 151 P 4.7846 0.0000 0.0000 63.1176 32.1979 175.9855 152 A 4.8896 9.2872 126.1730 50.6594 20.9739 177.1897 153 T 4.6732 8.6873 109.7887 61.1816 70.3124 173.6912 154 R 4.7243 8.4071 121.0214 54.8754 34.8554 174.4273 155 T 4.8503 8.3479 117.5838 62.1472 70.8412 173.2099 156 Q 4.8598 9.5140 129.5390 55.0465 30.8394 174.1804 157 R 4.7724 8.7815 126.9012 54.9727 32.2644 174.6606 158 L 5.2069 8.9037 125.5690 52.9201 45.9684 175.4851 159 I 4.4894 8.7204 123.6295 59.7673 40.0672 175.5002 160 N 4.0646 9.6878 124.3688 54.3808 35.8499 175.2785 161 G 3.9148 8.5094 103.4216 45.6710 0.0000 174.0602 162 K 4.6269 7.6242 118.3798 53.1298 35.0603 174.0781 163 P 4.5775 0.0000 0.0000 62.5451 31.6673 176.3479 164 A 4.3476 8.1625 125.7528 51.8914 19.2028 177.3912 165 F 4.4087 9.6711 120.0784 57.4348 39.9712 175.7722 166 Y 4.0382 9.2719 123.4102 60.2944 39.0580 177.3509 167 D 4.9594 8.2278 116.4380 54.2433 41.6124 175.7670 168 D 4.6471 8.1145 119.9930 52.9532 41.4170 175.3347 169 P 4.5833 0.0000 0.0000 61.7927 32.5073 175.9100 170 V 3.5785 8.0713 112.0132 61.3552 31.4298 175.7454 *177 E 4.1854 8.5288 125.4828 55.9877 30.5438 174.4644 178 S 4.7257 8.6266 119.0967 57.2666 67.1391 172.1411 179 Y 5.9802 8.6377 116.7214 55.5637 41.6684 174.7111 180 E 4.8817 8.7429 117.6867 55.3185 33.0545 173.8377 181 A 4.9736 8.5141 122.9943 51.9838 20.4803 176.6100 182 R 4.8173 9.0958 119.6175 54.4563 35.6035 172.5976 183 C 4.8018 8.6844 114.9896 54.8680 41.3323 174.8069 184 R 3.8457 8.6631 120.0865 59.6951 29.4292 178.4762 185 K 3.9897 8.0410 117.3422 59.6252 32.2648 178.6178 186 C 4.5228 7.5013 111.9595 57.6575 40.7118 173.7480 187 H 4.5573 7.8431 121.1630 55.9530 29.9071 174.4500 188 V 4.2850 9.1873 126.4967 61.1548 33.3234 175.5217 189 V 4.2892 7.9864 127.0902 59.4870 31.7151 172.6852 190 P 4.3189 0.0000 0.0000 62.2628 32.0382 177.1976 191 Q 4.3061 8.3807 119.7114 56.4833 29.3140 174.8902 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 2 Y 8.14 4.77 0.00 2.78 2.90 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 3 R 8.34 3.27 0.00 1.25 0.99 0.00 2.43 0.00 0.00 2.72 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 4 P 0.00 4.52 0.00 2.15 2.16 0.00 3.51 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.75 0.00 5 K 8.60 3.94 0.00 1.82 1.88 0.00 1.95 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.48 1.47 7.81 6 D 8.97 4.57 0.00 2.89 2.80 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 0.00 0.00 0.00 7 H 8.29 4.83 0.00 3.20 3.37 0.00 5.84 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 8 G 8.75 4.21 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 0.00 9 W 7.59 5.17 0.00 3.57 3.33 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 10 V 9.27 5.01 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 1.01 0.00 0.00 0.91 0.00 0.00 11 E 9.44 5.49 0.00 2.27 2.52 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 0.00 2.50 2.32 0.00 12 V 9.18 4.96 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 1.12 0.00 0.00 0.96 0.00 0.00 13 I 9.12 4.90 1.88 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 1.25 0.69 0.92 0.00 0.00 14 V 9.37 5.52 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 0.66 0.00 0.00 1.01 0.00 0.00 15 G 8.35 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 0.00 0.00 0.00 0.00 16 P 0.00 4.19 0.00 2.37 2.19 0.00 3.92 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 *18 Y 8.46 4.67 0.00 3.10 3.07 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 19 S 7.99 4.37 0.00 4.17 4.10 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 20 G 7.75 4.21 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 0.00 21 K 8.41 3.92 0.00 1.78 1.85 0.00 1.89 0.00 0.00 2.03 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.52 7.81 22 S 7.96 4.14 0.00 3.85 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 23 E 8.11 3.93 0.00 2.04 2.12 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 2.38 2.38 0.00 24 E 8.38 3.91 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 25 L 8.28 3.94 0.00 1.86 1.81 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 26 I 8.20 3.71 2.05 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 1.40 0.66 0.90 0.00 0.00 27 R 7.98 3.89 0.00 1.96 2.13 0.00 3.09 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 28 R 8.18 4.00 0.00 2.03 1.97 0.00 3.19 0.00 0.00 3.30 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.89 0.00 29 I 7.82 3.76 1.99 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.24 0.88 0.00 0.00 30 R 8.10 3.99 0.00 2.00 1.97 0.00 3.12 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.89 0.00 31 R 7.99 3.90 0.00 2.04 1.97 0.00 3.12 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 32 A 8.06 4.05 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 33 K 7.97 3.93 0.00 2.02 1.86 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.66 7.81 34 I 7.53 3.78 2.01 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 1.45 0.63 0.91 0.00 0.00 35 A 7.76 4.26 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 36 K 7.96 3.86 0.00 1.93 1.94 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.54 7.81 37 Q 8.00 4.67 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.83 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 38 K 8.58 4.14 0.00 1.81 1.75 0.00 1.69 0.00 0.00 1.81 0.00 0.00 2.74 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.39 7.81 39 I 8.29 5.15 1.84 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 1.27 1.21 0.87 0.00 0.00 40 Q 8.85 4.53 0.00 1.98 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.54 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 41 V 7.87 4.66 2.09 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 0.95 0.00 0.00 0.83 0.00 0.00 42 F 8.99 5.73 0.00 2.93 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 43 K 8.52 5.05 0.00 1.71 1.70 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.51 7.81 44 P 0.00 3.95 0.00 1.81 1.46 0.00 3.73 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.54 0.00 45 E 7.89 3.48 0.00 2.23 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 0.00 2.11 2.26 0.00 *65 A 7.78 4.08 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 66 V 8.41 4.21 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 0.69 0.00 0.00 0.79 0.00 0.00 67 A 8.46 4.46 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 68 I 8.17 4.60 1.83 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.78 0.63 0.00 0.00 69 K 8.27 4.72 0.00 2.11 1.05 0.00 1.75 0.00 0.00 1.77 0.00 0.00 2.84 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.39 7.81 70 N 8.85 4.64 0.00 3.03 2.93 0.00 0.00 5.93 7.64 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 71 S 8.61 4.23 0.00 4.01 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 72 R 8.03 4.06 0.00 1.87 2.06 0.00 3.17 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 73 E 7.95 4.35 0.00 2.24 2.02 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 82 T 7.59 4.23 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 83 E 9.12 4.53 0.00 1.87 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 2.24 2.38 0.00 84 V 7.66 4.81 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 0.95 0.00 0.00 0.88 0.00 0.00 85 I 9.10 5.02 1.86 0.00 0.00 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 1.28 0.89 1.09 0.00 0.00 86 A 8.93 5.18 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 87 I 9.21 4.91 1.81 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.84 0.74 0.00 0.00 88 D 8.98 4.97 0.00 2.70 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 89 E 8.73 3.85 0.00 2.31 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 2.31 2.35 0.00 90 V 8.06 4.08 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0.00 150 N 7.74 4.75 0.00 2.70 2.78 0.00 0.00 7.15 8.03 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 0.00 151 P 0.00 4.78 0.00 1.95 2.17 0.00 3.66 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 152 A 9.29 4.89 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 0.00 153 T 8.69 4.67 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 1.23 0.00 0.00 154 R 8.41 4.72 0.00 1.66 1.37 0.00 3.15 0.00 0.00 3.12 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 155 T 8.35 4.85 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 156 Q 9.51 4.86 0.00 2.29 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 157 R 8.78 4.77 0.00 1.97 1.53 0.00 2.25 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.95 0.00 158 L 8.90 5.21 0.00 1.44 1.42 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 159 I 8.72 4.49 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 1.11 0.93 0.88 0.00 0.00 160 N 9.69 4.06 0.00 2.87 2.90 0.00 0.00 7.22 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 0.00 161 G 8.51 3.91 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 0.00 0.00 0.00 162 K 7.62 4.63 0.00 1.85 1.67 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.60 1.52 7.81 163 P 0.00 4.58 0.00 1.89 2.13 0.00 3.60 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 1.96 2.04 0.00 164 A 8.16 4.35 1.08 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 0.00 165 F 9.67 4.41 0.00 3.30 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 0.00 166 Y 9.27 4.04 0.00 3.06 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 0.00 167 D 8.23 4.96 0.00 2.80 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 0.00 168 D 8.11 4.65 0.00 3.01 2.63 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 0.00 169 P 0.00 4.58 0.00 2.20 2.12 0.00 3.80 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 2.00 0.00 170 V 8.07 3.58 2.12 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 0.77 0.00 0.00 0.95 0.00 0.00 *177 E 8.53 4.19 0.00 1.84 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 1.77 2.11 0.00 178 S 8.63 4.73 0.00 3.82 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 0.00 179 Y 8.64 5.98 0.00 3.01 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 E 8.74 4.88 0.00 1.95 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 2.33 2.35 0.00 181 A 8.51 4.97 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 0.00 182 R 9.10 4.82 0.00 1.76 1.82 0.00 3.36 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 183 C 8.68 4.80 0.00 3.12 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 0.00 184 R 8.66 3.85 0.00 1.91 1.98 0.00 3.20 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 185 K 8.04 3.99 0.00 1.80 1.84 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.54 7.81 186 C 7.50 4.52 0.00 3.07 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 0.00 187 H 7.84 4.56 0.00 3.26 3.42 0.00 5.89 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 V 9.19 4.29 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 0.75 0.00 0.00 0.96 0.00 0.00 189 V 7.99 4.29 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 1.06 0.00 0.00 0.86 0.00 0.00 190 P 0.00 4.32 0.00 1.49 1.79 0.00 3.70 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.31 0.00 191 Q 8.38 4.31 0.00 1.93 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.68 0.00 0.00 0.00 0.00 0.00 2.14 2.25 0.00 * Residues marked with a * may have inaccurate shift predictions.