NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.4223 0.0000 0.0000 62.6483 32.8059 175.7096 6 L 4.2244 8.1926 117.6230 57.2939 40.9687 176.6950 7 I 3.6294 7.6734 121.5649 64.5222 37.3228 178.8519 8 D 4.3568 8.0222 119.3963 56.4281 39.4365 178.1048 9 Q 3.9667 8.1775 121.3737 59.0110 28.8981 178.4022 10 L 4.0717 8.5054 118.9638 57.9551 41.9516 178.8643 11 H 4.3305 8.1874 118.1422 59.6521 29.6744 176.9303 12 H 4.2205 8.4490 118.8922 59.2072 29.7184 176.8046 13 E 4.0207 8.2644 119.8812 56.9186 30.0083 176.2891 14 D 4.3913 7.9138 118.0713 55.1608 40.1313 174.4875 15 S 3.9752 7.6472 114.4984 59.6728 63.3310 175.7472 16 W 4.2385 8.0980 119.4016 58.7837 27.7125 178.0564 17 R 3.3274 6.6744 119.1259 58.7400 29.3574 178.5941 18 L 3.9933 7.8462 119.1153 57.0957 41.4343 179.4055 19 F 4.3292 7.6197 117.8911 60.6382 38.8592 177.5365 20 R 3.9813 8.1769 117.6454 59.5422 30.0401 178.1790 21 I 3.5481 7.5354 119.4160 64.5263 37.0647 178.4120 22 L 4.1736 8.5826 119.7270 57.7829 41.3781 179.3583 23 A 4.0548 8.2304 120.7363 55.3224 18.2190 179.6104 24 E 3.8140 8.3902 117.2134 59.2990 29.4795 179.6039 25 F 3.9263 7.8541 117.8190 60.4713 39.0217 177.8049 26 V 3.5051 8.0172 118.1861 65.9921 31.3150 177.6790 27 E 4.1792 8.4855 119.3982 59.1827 29.5160 178.8985 28 G 3.6502 8.2645 106.1497 47.8988 0.0000 175.6793 29 F 4.8151 8.3815 122.0679 59.9643 38.7579 177.5399 30 E 4.0326 8.2069 116.9901 59.9754 29.5770 179.3972 31 T 3.9584 8.0657 115.6368 66.6440 68.2089 176.9753 32 L 3.7581 7.9185 120.6951 57.7947 41.3344 179.9271 33 S 4.0166 7.6833 114.4839 61.4296 62.7706 176.1888 34 E 4.0803 7.7579 120.0337 57.7860 29.6229 177.6181 35 L 4.0641 6.7247 117.6934 55.4700 42.1340 176.9158 36 Q 4.7110 8.4567 119.4931 55.6390 29.6331 175.8776 37 V 4.5151 7.5146 109.1032 58.5714 35.7464 173.7579 38 P 4.4741 0.0000 0.0000 62.9136 32.6070 175.0716 39 L 5.1143 8.5790 123.3386 53.0448 44.4869 175.2555 40 V 4.3347 8.4381 123.5939 61.0562 33.9829 174.5690 41 S 4.8789 8.2417 124.6985 58.0136 64.1609 173.4372 42 V 4.5420 7.9091 123.9846 60.9309 34.1177 174.6434 43 F 4.9089 8.7342 125.4099 55.9220 43.1378 173.9966 44 G 4.2923 8.5879 106.6911 45.3448 0.0000 172.9106 45 S 4.1081 8.6348 115.3936 58.7783 62.7290 174.9163 46 A 4.6025 8.6013 127.6548 52.5488 18.7337 177.6851 47 R 4.3589 7.6901 113.8623 56.0230 32.0653 176.4762 48 F 4.7320 7.7443 117.2651 56.4769 38.4317 175.2881 49 G 4.3378 8.2748 116.8448 43.7602 0.0000 170.8338 50 E 2.7388 7.8278 117.9669 57.9756 29.6514 176.4650 51 G 4.0391 9.1392 111.2075 46.0396 0.0000 174.3917 52 H 4.2801 8.1184 118.8732 55.0447 31.6922 174.0185 53 P 4.2637 0.0000 0.0000 66.0271 31.2391 178.8228 54 A 4.0908 8.2219 118.8392 55.1133 18.2953 179.0207 55 Y 3.9336 8.0300 117.6741 60.9144 39.0614 177.5558 56 E 4.1266 8.5541 119.3048 59.5388 29.5752 179.1698 57 A 4.1388 8.3505 120.9135 55.2418 18.3374 179.9245 58 G 3.4606 8.1735 104.1666 47.9354 0.0000 175.2873 59 Y 3.9053 8.2017 122.3031 60.4785 38.7759 178.3780 60 R 3.9510 8.2903 119.0597 59.1050 30.1043 178.7706 61 L 3.9446 8.1232 120.2707 58.0553 41.9826 179.0963 62 G 3.4777 8.0353 105.8287 47.8887 0.0000 175.5320 63 R 4.0095 8.0138 122.6548 58.2782 29.9642 178.4451 64 A 4.1188 8.2777 120.9719 55.1992 18.4359 179.5304 65 L 4.0262 8.1039 117.4669 57.9148 41.7062 179.6322 66 A 4.3469 7.6690 121.8700 54.6865 18.1096 179.4116 67 E 3.8843 7.9373 115.5601 59.6248 29.7405 179.2959 68 A 4.2199 8.1228 118.5615 53.1911 18.4780 178.1666 69 G 3.8050 7.9004 105.5226 44.8342 0.0000 173.5351 70 F 4.8067 8.8142 118.9033 55.9907 41.6060 174.9846 71 G 4.2488 8.9279 108.0319 44.8943 0.0000 172.9793 72 V 4.9295 8.4350 115.9087 59.3371 34.6817 175.0701 73 V 4.8020 8.5600 123.9941 61.4665 34.3201 174.5070 74 T 5.2492 9.1220 117.8166 59.6692 72.8188 174.5385 75 G 3.9968 9.0200 107.7438 45.5828 0.0000 175.2531 76 G 3.9611 8.5243 107.9814 45.6882 0.0000 174.9573 77 G 4.2977 7.6193 108.4180 44.1671 0.0000 170.7453 78 P 4.8328 0.0000 0.0000 62.9092 34.4681 177.0549 79 G 4.3684 8.5990 108.3433 46.4253 0.0000 177.3014 80 V 3.8272 9.1438 120.8069 62.4455 30.8496 177.8406 *82 E 4.2712 8.4629 119.1110 55.8745 31.4201 177.0652 83 A 3.6217 7.7590 120.2888 55.1393 17.9667 179.7932 84 V 3.5202 7.8623 116.7604 66.2044 31.5445 178.0608 85 N 4.4216 7.9504 117.1055 55.6111 38.4512 177.2456 86 R 3.4541 8.5235 120.6012 59.1839 30.0014 178.6869 87 G 2.5815 7.8700 105.6197 47.2979 0.0000 175.4951 88 A 3.9960 7.5254 122.9964 55.0268 18.4155 178.6555 89 Y 4.0968 8.5774 118.3669 61.3662 38.6680 178.5335 90 E 4.0532 8.7124 117.4170 58.1641 29.5687 178.0512 91 A 4.5917 7.5893 119.2358 51.1458 19.3558 176.9765 92 G 3.6368 7.9653 106.3407 46.7549 0.0000 174.3219 93 G 4.0383 7.8055 106.9293 43.9416 0.0000 174.3375 94 V 3.8996 8.1877 120.1050 62.8357 32.3076 174.4624 95 S 5.1045 8.8875 122.5033 56.6638 65.0960 172.3427 96 V 4.6867 9.3519 128.2674 61.0848 34.2053 174.4967 97 G 4.2700 8.8760 113.7710 44.2679 0.0000 172.5452 98 L 5.1414 8.5494 127.0341 52.8096 40.2488 175.5399 99 N 4.8196 8.6342 119.0806 52.8733 40.1153 174.2174 100 I 4.5871 8.1288 123.4698 59.2076 39.9668 174.5135 101 E 4.5278 8.6785 129.8778 55.8036 29.6652 176.1704 102 L 4.8080 9.5505 125.6009 51.8501 45.0019 174.9300 103 P 4.3074 0.0000 0.0000 65.6182 31.4828 176.8935 104 H 4.8509 7.6163 114.3313 52.8595 28.2749 172.4096 105 E 3.9215 8.2145 119.6337 57.0161 30.2028 177.0049 106 Q 4.6016 8.3743 121.8324 54.2156 30.7173 175.4855 107 K 4.2967 8.2552 120.3526 54.9285 33.1577 175.4050 108 P 4.4550 0.0000 0.0000 62.2363 31.7764 176.3207 109 N 4.4831 8.5731 120.6916 52.6887 37.8025 172.7154 110 P 4.4545 0.0000 0.0000 62.5566 31.4383 176.1257 111 Y 3.8196 7.9155 115.9482 57.6375 38.2516 176.0302 112 Q 4.7616 7.4973 118.2716 54.4334 30.8661 176.5296 113 T 4.2813 9.2724 121.1892 66.2594 69.5385 174.9110 114 H 4.7974 8.1140 118.5125 54.3872 32.9405 172.1231 115 A 5.1647 8.7301 125.3364 49.9644 21.3461 175.1104 116 L 4.8588 8.7630 122.2877 52.6819 45.4714 175.6422 117 S 5.1436 8.6274 117.3142 56.5139 64.9930 173.2147 118 L 4.7997 8.8302 124.5168 52.9355 44.3003 177.9512 119 R 3.6564 8.9639 121.4865 57.5004 30.8556 176.9153 120 Y 4.5469 6.8615 116.2026 55.6006 40.1473 176.2817 121 F 4.1346 8.8374 124.3138 60.7017 39.2011 177.5938 122 F 4.4392 8.4245 113.7021 60.0960 37.5818 177.4474 123 V 3.3657 6.6527 118.2246 65.5846 31.4111 177.6677 124 R 3.8784 7.7608 118.1688 59.5879 29.4224 178.6246 125 K 4.5040 8.8209 118.6258 59.4496 31.9306 179.6342 126 V 3.7289 8.1136 118.7268 66.2002 31.4041 178.2206 127 L 4.3413 8.1328 117.2922 57.7343 41.4677 179.2204 128 F 4.6707 8.2937 116.9891 59.7714 39.0789 176.9923 129 V 4.6385 7.7653 111.1287 62.6488 32.6460 177.7615 130 R 3.6998 8.0935 118.3782 59.1841 29.9187 176.4911 131 Y 4.5705 8.0464 112.3353 57.4531 38.7142 174.7111 132 A 4.5783 7.8550 122.9413 51.4454 19.7577 178.6637 133 V 3.2269 7.6309 112.9104 59.9681 32.7667 175.8023 134 G 4.0851 6.2221 107.2332 46.1399 0.0000 172.2877 135 F 5.4147 8.7125 118.2723 55.5964 43.5718 174.1231 136 V 4.8743 8.6559 123.1786 61.1440 34.2904 174.0039 137 F 5.2937 9.6103 127.4721 56.0655 40.6641 175.3678 138 L 5.1338 9.3801 125.0578 52.4025 43.9159 174.9076 139 P 3.3440 0.0000 0.0000 63.6611 32.1001 176.3970 140 G 4.1945 7.4556 110.0014 45.8978 0.0000 173.2374 141 G 4.1248 7.9514 109.1909 45.0551 0.0000 175.8317 142 F 4.6657 8.9274 120.8294 60.5344 38.6042 177.1944 143 G 3.7282 8.2081 104.8759 48.2180 0.0000 175.7946 144 T 4.1045 7.9754 117.8159 66.1646 68.6288 176.5186 145 L 4.0240 8.0947 122.3941 58.2177 42.2662 178.4187 146 D 4.2778 8.1664 117.9031 57.5355 41.1093 178.2438 147 E 3.8367 7.9274 118.7820 58.9738 29.3618 179.0614 148 L 2.6938 7.7390 120.7391 57.8150 42.2341 179.2588 149 S 4.0034 8.2099 114.5853 61.1551 62.7954 176.0683 150 E 3.8332 7.8757 122.4327 59.3148 29.4591 179.2755 151 V 3.4780 7.4632 112.3806 64.1608 31.4307 178.5539 152 L 3.9008 7.7920 118.8273 57.6701 41.4354 179.6723 153 V 3.5210 7.5627 117.6927 66.1190 31.4852 178.0600 154 L 3.9987 7.8674 118.6169 57.6404 41.3801 179.6668 155 L 3.9805 8.0406 118.9257 57.6426 41.5294 178.9463 156 Q 3.9025 8.3903 119.1263 59.2594 28.9350 177.3656 157 T 4.2033 7.9183 104.4908 61.1405 69.2638 174.1812 158 E 3.7966 7.8394 120.6251 57.7763 27.2603 175.6907 159 K 4.2344 8.1814 118.8692 58.1336 32.5934 177.6448 160 V 4.6208 7.2692 110.2109 59.2375 35.7094 174.3300 161 H 4.1469 8.8118 121.2064 56.4992 30.6198 176.1590 162 R 4.1772 7.8145 126.1043 55.9485 28.2807 175.6268 163 F 4.4702 7.5012 117.9202 56.6382 40.8095 175.2801 164 P 4.4043 0.0000 0.0000 62.9642 32.6182 175.6337 165 V 5.1896 8.1452 122.5636 61.2847 34.5987 174.0668 166 F 5.4683 9.7657 126.2868 55.6552 43.1097 174.1550 167 L 4.9965 9.0704 121.8794 52.9815 44.1621 175.5544 168 L 4.8692 9.0803 125.2727 55.1061 42.6544 175.3140 169 D 4.8375 9.6056 123.9066 54.6248 39.9797 174.6631 170 R 4.3150 9.7588 123.9222 59.2680 30.2576 178.5216 171 G 3.7824 8.2417 102.8859 47.7815 0.0000 174.5760 172 Y 3.9898 8.1344 121.0773 60.1891 39.1414 177.0877 173 W 4.4973 8.2363 117.7416 57.4786 29.3600 177.8854 174 E 4.1071 8.1822 120.4643 59.5057 29.0416 178.9922 175 G 3.6928 8.1378 104.7885 47.8100 0.0000 175.0255 176 L 4.1467 7.9659 122.6390 57.9212 42.2347 178.9908 177 V 3.7498 8.2332 118.3090 66.1453 31.4538 178.1884 178 R 4.0204 8.4953 118.1070 59.1117 29.9750 178.8451 179 W 4.3585 8.5232 128.1298 60.4923 30.7173 178.0555 180 L 3.8009 8.4106 119.0939 57.5331 41.0762 179.2472 181 A 4.0451 8.2547 120.9010 54.9101 18.2481 179.5041 182 F 4.1142 8.1407 119.5305 61.3553 39.4238 177.4896 183 L 3.5586 7.6139 118.5138 57.1538 41.1743 179.5702 184 R 3.7471 7.5638 118.8448 59.4257 29.8876 178.1058 185 D 4.3767 7.6740 117.3175 57.2802 40.8497 178.2302 186 Q 3.9482 7.4856 116.2630 55.5874 28.8722 176.3774 187 K 3.7579 7.8390 118.3695 57.3485 29.8444 176.5724 188 A 4.2648 7.9104 121.9497 52.8954 19.0041 178.8305 189 V 4.4318 7.1470 114.0123 59.0238 34.6008 175.6200 190 G 3.7964 9.4193 111.4061 44.9333 0.0000 172.8808 191 P 4.1544 0.0000 0.0000 64.9918 31.5202 177.5321 192 E 4.4630 7.8605 114.6656 56.1943 30.0835 177.2608 193 D 4.3328 7.6475 120.7571 56.9030 40.2635 177.8361 194 L 3.9834 7.6558 117.8757 55.8639 41.6649 177.7475 195 Q 3.8927 7.5215 117.2252 56.1665 29.0213 176.6866 196 L 4.0514 7.2627 120.9246 56.5426 41.9349 176.7141 197 F 5.1785 6.5993 111.7685 54.8486 41.3295 174.6201 198 R 4.6472 8.8344 118.3627 54.3271 33.3342 174.3107 199 L 5.1274 8.6665 125.5611 54.0628 43.4899 175.2231 200 T 4.8508 9.2511 119.8706 61.4202 70.9909 173.6132 201 D 4.7560 8.9753 123.9274 54.2514 42.4929 176.2656 202 E 4.6035 7.9429 119.9684 53.9463 30.7325 175.1182 203 P 4.2574 0.0000 0.0000 65.3629 31.3197 178.4381 204 E 3.9427 8.1355 116.2339 59.4220 29.3959 178.7689 205 E 3.8867 7.9789 119.8525 58.7590 29.6566 179.0336 206 V 2.3505 7.2563 117.8829 65.6319 31.6215 178.0199 207 V 3.4043 7.6037 117.9847 65.8901 31.2659 177.6778 208 Q 3.9372 8.2477 119.1948 59.1834 28.6837 178.1804 209 A 4.0826 7.7022 120.6532 55.2581 18.5286 179.3556 210 L 4.1569 7.7173 116.6028 57.6651 41.6570 179.5976 211 K 4.4149 8.2733 117.9185 59.3392 32.1531 177.4725 212 A 4.3547 8.1407 124.3844 52.4084 18.4885 176.9729 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 5 P 0.00 4.42 0.00 2.07 2.12 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.09 0.00 6 L 8.19 4.22 0.00 1.96 1.92 0.94 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.67 3.63 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.32 0.95 0.00 0.00 8 D 8.02 4.36 0.00 2.97 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 9 Q 8.18 3.97 0.00 2.16 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 10 L 8.51 4.07 0.00 1.68 1.79 0.97 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 11 H 8.19 4.33 0.00 3.45 3.51 0.00 5.59 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 12 H 8.45 4.22 0.00 3.37 3.36 0.00 5.81 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.26 4.02 0.00 2.20 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 2.37 2.65 0.00 14 D 7.91 4.39 0.00 2.95 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 15 S 7.65 3.98 0.00 3.87 3.76 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 16 W 8.10 4.24 0.00 3.88 3.48 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 17 R 6.67 3.33 0.00 1.26 1.67 0.00 2.91 0.00 0.00 2.25 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.38 0.00 18 L 7.85 3.99 0.00 1.48 1.58 0.79 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.62 4.33 0.00 3.36 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 20 R 8.18 3.98 0.00 2.04 2.20 0.00 3.37 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.79 0.00 21 I 7.54 3.55 1.96 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.26 0.98 0.00 0.00 22 L 8.58 4.17 0.00 1.98 1.82 0.96 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.23 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.39 3.81 0.00 1.91 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.48 0.00 25 F 7.85 3.93 0.00 3.12 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 V 8.02 3.51 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 1.04 0.00 0.00 1.00 0.00 0.00 27 E 8.49 4.18 0.00 2.14 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 2.28 2.31 0.00 28 G 8.26 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 29 F 8.38 4.82 0.00 3.20 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 30 E 8.21 4.03 0.00 2.12 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 2.42 2.73 0.00 31 T 8.07 3.96 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 1.12 0.00 0.00 32 L 7.92 3.76 0.00 0.74 0.99 0.95 0.62 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 33 S 7.68 4.02 0.00 3.95 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 E 7.76 4.08 0.00 2.00 1.97 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 2.33 2.55 0.00 35 L 6.72 4.06 0.00 1.63 1.55 0.80 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 8.46 4.71 0.00 1.98 2.04 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 5.33 7.12 0.00 0.00 0.00 0.00 0.00 2.23 2.42 0.00 113 T 9.27 4.28 4.52 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 0.00 0.00 1.11 0.00 0.00 114 H 8.11 4.80 0.00 3.00 3.11 0.00 5.56 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 0.00 115 A 8.73 5.16 1.15 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 0.00 0.00 116 L 8.76 4.86 0.00 1.49 1.45 0.85 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.63 5.14 0.00 3.74 3.76 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 0.00 118 L 8.83 4.80 0.00 1.34 1.34 0.82 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 119 R 8.96 3.66 0.00 1.25 1.09 0.00 2.99 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.51 0.00 120 Y 6.86 4.55 0.00 2.10 1.71 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 0.00 121 F 8.84 4.13 0.00 3.28 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 0.00 122 F 8.42 4.44 0.00 3.37 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 V 6.65 3.37 1.75 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 0.49 0.00 0.00 -0.26 0.00 0.00 124 R 7.76 3.88 0.00 1.89 2.18 0.00 3.54 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.65 0.00 125 K 8.82 4.50 0.00 2.21 2.31 0.00 2.09 0.00 0.00 2.23 0.00 0.00 3.11 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.93 1.83 7.81 126 V 8.11 3.73 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 1.51 0.00 0.00 1.35 0.00 0.00 127 L 8.13 4.34 0.00 1.83 1.81 0.91 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 128 F 8.29 4.67 0.00 3.67 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 0.00 129 V 7.77 4.64 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.20 0.00 0.00 130 R 8.09 3.70 0.00 1.97 1.81 0.00 3.18 0.00 0.00 2.76 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 1.27 0.00 131 Y 8.05 4.57 0.00 3.10 2.89 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 0.00 132 A 7.85 4.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 V 7.63 3.23 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 0.69 0.00 0.00 0.99 0.00 0.00 134 G 6.22 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 0.00 135 F 8.71 5.41 0.00 3.33 3.05 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 0.00 0.00 0.00 136 V 8.66 4.87 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 1.02 0.00 0.00 0.86 0.00 0.00 137 F 9.61 5.29 0.00 2.75 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 0.00 138 L 9.38 5.13 0.00 1.73 1.70 0.95 0.54 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 0.00 139 P 0.00 3.34 0.00 1.81 0.49 0.00 3.66 0.00 0.00 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.53 0.00 140 G 7.46 4.19 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 0.00 141 G 7.95 4.12 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 0.00 142 F 8.93 4.67 0.00 2.98 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 G 8.21 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 T 7.98 4.10 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 1.79 0.00 0.00 145 L 8.09 4.02 0.00 1.95 1.91 0.88 1.26 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 0.00 146 D 8.17 4.28 0.00 2.81 2.86 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 0.00 147 E 7.93 3.84 0.00 1.79 1.20 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 2.37 2.05 0.00 148 L 7.74 2.69 0.00 1.13 1.38 0.37 0.28 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 0.00 149 S 8.21 4.00 0.00 3.99 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 E 7.88 3.83 0.00 2.12 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 0.00 2.29 2.35 0.00 151 V 7.46 3.48 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 0.28 0.00 0.00 0.69 0.00 0.00 152 L 7.79 3.90 0.00 1.74 1.67 0.76 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 153 V 7.56 3.52 2.23 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 1.01 0.00 0.00 0.91 0.00 0.00 154 L 7.87 4.00 0.00 1.89 1.72 0.95 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 155 L 8.04 3.98 0.00 1.81 1.68 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 156 Q 8.39 3.90 0.00 1.97 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.89 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 157 T 7.92 4.20 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 1.19 0.00 0.00 158 E 7.84 3.80 0.00 2.15 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 2.22 2.24 0.00 159 K 8.18 4.23 0.00 1.77 1.87 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.55 7.81 160 V 7.27 4.62 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 0.77 0.00 0.00 1.06 0.00 0.00 161 H 8.81 4.15 0.00 2.91 2.91 0.00 5.92 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 0.00 162 R 7.81 4.18 0.00 1.67 1.67 0.00 3.29 0.00 0.00 3.18 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 163 F 7.50 4.47 0.00 3.20 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 0.00 164 P 0.00 4.40 0.00 2.42 2.09 0.00 3.99 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.23 0.00 165 V 8.15 5.19 2.34 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 1.25 0.00 0.00 1.09 0.00 0.00 166 F 9.77 5.47 0.00 3.07 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 L 9.07 5.00 0.00 1.21 0.27 -0.14 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 168 L 9.08 4.87 0.00 1.68 1.73 0.94 1.20 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 0.00 169 D 9.61 4.84 0.00 2.93 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 0.00 170 R 9.76 4.32 0.00 2.00 2.13 0.00 3.27 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.97 0.00 171 G 8.24 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 Y 8.13 3.99 0.00 3.11 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 0.00 173 W 8.24 4.50 0.00 3.61 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 E 8.18 4.11 0.00 2.34 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 2.38 2.48 0.00 175 G 8.14 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 0.00 176 L 7.97 4.15 0.00 1.90 2.04 1.06 1.14 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 0.00 177 V 8.23 3.75 2.26 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 1.19 0.00 0.00 1.09 0.00 0.00 178 R 8.50 4.02 0.00 2.13 2.06 0.00 3.24 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.05 0.00 179 W 8.52 4.36 0.00 3.40 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 L 8.41 3.80 0.00 2.04 1.75 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 181 A 8.25 4.05 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 0.00 182 F 8.14 4.11 0.00 3.16 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 0.00 183 L 7.61 3.56 0.00 1.61 1.37 0.19 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 184 R 7.56 3.75 0.00 1.83 2.01 0.00 3.05 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 185 D 7.67 4.38 0.00 2.62 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 0.00 186 Q 7.49 3.95 0.00 1.78 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.59 0.00 0.00 0.00 0.00 0.00 1.55 1.40 0.00 187 K 7.84 3.76 0.00 1.79 1.86 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.27 1.28 7.81 188 A 7.91 4.26 1.16 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 0.00 0.00 189 V 7.15 4.43 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.98 0.00 0.00 190 G 9.42 3.80 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 0.00 0.00 0.00 191 P 0.00 4.15 0.00 2.00 2.09 0.00 3.61 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.06 0.00 192 E 7.86 4.46 0.00 1.91 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 2.26 2.20 0.00 193 D 7.65 4.33 0.00 2.57 2.68 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 0.00 194 L 7.66 3.98 0.00 1.51 1.40 0.98 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 195 Q 7.52 3.89 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 7.00 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 196 L 7.26 4.05 0.00 1.64 1.74 0.85 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 197 F 6.60 5.18 0.00 2.64 2.86 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 0.00 198 R 8.83 4.65 0.00 1.34 1.87 0.00 3.01 0.00 0.00 2.72 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.27 0.00 199 L 8.67 5.13 0.00 1.83 1.70 1.06 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 200 T 9.25 4.85 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 1.34 0.00 0.00 201 D 8.98 4.76 0.00 2.76 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 0.00 202 E 7.94 4.60 0.00 2.07 2.28 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 2.27 2.29 0.00 203 P 0.00 4.26 0.00 2.13 2.07 0.00 3.61 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 204 E 8.14 3.94 0.00 2.15 2.21 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 2.36 2.32 0.00 205 E 7.98 3.89 0.00 2.25 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 2.38 2.36 0.00 206 V 7.26 2.35 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 0.43 0.00 0.00 0.56 0.00 0.00 207 V 7.60 3.40 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 1.05 0.00 0.00 0.87 0.00 0.00 208 Q 8.25 3.94 0.00 2.21 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 209 A 7.70 4.08 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 L 7.72 4.16 0.00 1.45 1.17 0.43 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 211 K 8.27 4.41 0.00 1.96 1.96 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.71 1.93 7.81 212 A 8.14 4.35 1.36 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.