NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 18 R 4.3332 8.2431 117.4199 56.2419 31.6205 175.8773 19 G 3.7946 8.0192 105.4227 44.2062 0.0000 171.1228 20 Q 4.9725 9.2749 119.0535 55.4533 33.2401 171.0840 21 I 5.0079 9.0801 120.9510 59.6280 40.3678 174.7298 22 Q 5.1025 9.2683 125.8738 54.0070 32.0566 174.6619 23 V 4.7441 8.7289 122.9769 61.1592 34.8118 174.3074 24 I 4.6860 9.1968 128.9263 59.7767 39.0034 175.0407 25 L 5.5886 8.7162 128.0079 51.9631 44.2379 176.1650 26 G 4.4193 7.9511 109.2429 45.3805 0.0000 170.2714 27 P 4.8993 0.0000 0.0000 61.7801 31.3723 175.9118 28 M 3.7328 8.2574 117.7486 56.6796 31.9930 177.1886 29 F 3.9624 8.1211 118.3023 58.6119 36.0701 175.9535 30 S 4.5376 7.5410 111.3573 57.6783 63.5819 174.3672 31 G 3.8790 8.0813 109.3731 47.0912 0.0000 176.1445 32 K 3.9104 8.2649 121.4082 59.2928 32.0946 178.9193 33 S 4.1500 8.0046 113.7549 61.4361 62.9191 176.5831 34 T 3.8806 7.8107 119.2452 66.5187 68.3392 176.1160 35 E 3.9060 8.3709 121.3745 58.9275 29.5886 178.4600 36 L 3.9548 8.1221 120.6021 58.6922 42.1078 179.0708 37 M 4.0949 8.1635 118.4521 58.0955 31.6929 178.6588 38 R 3.8751 8.2856 119.3112 59.6105 29.9170 178.8539 39 R 3.9352 8.0884 117.7207 59.2648 30.0894 179.2993 40 V 3.6819 8.0800 118.1591 66.1573 31.4783 178.3478 41 R 4.0227 8.3943 118.0485 59.1821 29.9759 179.1968 42 R 3.8441 7.7544 118.2491 59.2732 29.9767 179.1012 43 F 4.2852 7.7095 117.2654 60.4341 38.9360 177.6766 44 Q 4.2637 8.3511 119.3844 59.2888 28.6974 178.0652 45 I 3.7327 8.0792 118.9679 63.4368 38.2094 176.0055 46 A 4.3763 7.5272 120.5475 52.2893 18.1867 177.5442 47 Q 3.8963 8.2513 114.6763 57.1301 26.6379 173.2993 48 Y 4.2820 7.8686 115.5603 57.5937 39.0208 175.6866 49 K 4.3270 8.7283 122.5194 56.6690 33.3269 175.7953 50 C 5.5051 8.7356 121.6400 57.8518 32.1138 173.1363 51 L 4.8227 8.8733 123.1136 53.2841 45.4481 175.1054 52 V 4.9297 8.4350 124.7874 61.1627 34.5519 173.8414 53 I 5.0884 9.0418 128.5780 59.3347 40.0150 174.7520 54 K 5.0965 8.8421 124.8723 54.7577 36.6715 174.7175 55 Y 4.7701 8.2780 120.0407 57.7300 38.8739 176.6682 56 A 3.9193 8.6632 131.2774 54.9734 18.6557 178.5233 57 K 3.6830 6.0149 113.3514 57.9056 32.3500 176.8189 58 D 4.4774 7.0617 118.5181 53.4270 39.6319 175.2363 59 T 4.4270 7.9961 113.7272 60.8754 69.3631 175.6643 60 R 3.9579 7.6869 121.2960 56.5572 30.4424 175.8369 61 Y 3.8536 8.5844 122.2707 57.9642 37.7655 175.1261 *75 A 4.2393 8.1747 128.7258 51.4107 19.3940 175.7074 76 L 4.3508 8.5990 126.4792 54.5424 43.0173 174.7284 77 P 5.0776 0.0000 0.0000 63.2159 32.4251 175.3880 78 A 4.8140 8.9029 121.6304 51.6064 22.5671 176.6961 79 C 4.7481 9.0367 113.5156 57.9790 31.7366 174.0421 80 L 5.0843 7.6787 120.3246 52.2368 45.0386 177.4501 81 L 3.5299 9.1843 123.2711 57.3909 41.3005 179.5871 82 R 4.0036 8.7286 119.4204 59.8659 29.6573 178.1550 83 D 4.5705 7.9787 116.9192 56.2135 40.9616 177.5085 84 V 4.9439 7.7870 111.2660 59.9940 32.6146 177.4096 85 A 4.2247 8.1345 125.5113 55.4301 17.8503 180.3395 86 Q 3.9104 8.0229 116.4279 59.4598 29.5275 177.9034 87 E 4.1074 8.2045 118.8444 59.4580 29.6693 179.1084 88 A 4.0974 8.2537 120.7633 55.0530 18.2219 179.6514 89 L 4.1256 8.1285 116.8930 57.0684 41.6341 178.2378 90 G 3.9861 7.5509 105.8366 45.1761 0.0000 173.1786 91 V 4.4923 7.4315 111.5505 59.2794 35.4343 175.1111 92 A 4.4808 8.6732 121.6363 53.0525 20.8649 177.5471 93 V 4.6109 7.5910 114.9273 61.0887 34.9457 174.4975 94 I 4.9082 8.8887 128.9818 59.5049 40.1368 174.6587 95 G 4.4203 9.2609 114.9405 44.6169 0.0000 172.3835 96 I 5.0181 8.7556 124.4158 59.3465 39.4769 174.0416 97 D 4.9503 9.2548 127.4279 52.9373 43.5997 175.8276 98 E 3.8364 8.7144 121.7042 57.2062 27.1857 176.7202 99 G 3.9075 8.3824 109.2480 48.3905 0.0000 175.8450 100 Q 3.7497 7.5417 116.8967 58.5799 28.4107 177.2403 101 F 4.1669 7.2387 115.4999 57.8739 39.4516 175.2758 102 F 4.6384 7.7108 121.5492 55.0095 39.2109 175.1032 103 P 4.3774 0.0000 0.0000 64.9704 31.5439 176.7383 104 D 5.2789 7.9978 117.1101 52.4539 40.0458 177.6643 105 I 3.6462 7.8575 122.0948 65.0302 37.7689 177.9038 106 V 3.5999 7.7415 118.0923 66.1638 31.4083 177.6317 107 E 4.0025 8.1886 117.8700 59.3069 29.2941 179.1009 108 F 4.0506 8.4685 120.6445 61.5188 39.4565 177.0965 109 C 4.1173 8.3488 116.4017 62.7645 27.8630 175.7870 110 E 3.8397 8.2771 120.6613 59.1030 29.3660 178.5346 111 A 3.9067 7.9312 120.7863 55.5890 18.4425 179.6253 112 M 3.7920 7.8837 116.8919 58.3054 31.9917 178.9160 113 A 4.1640 8.1187 121.2432 55.1866 18.3617 179.1893 114 N 4.4448 8.3609 113.4159 55.0736 38.7476 176.3679 115 A 4.4168 7.3935 120.5153 51.8327 19.1978 177.7664 116 G 3.9168 7.8993 106.3027 44.7788 0.0000 174.2675 117 K 4.3750 7.9786 119.4630 56.1151 33.9789 176.2400 118 T 4.6207 8.2889 120.2151 62.7424 69.8755 173.9179 119 V 4.7525 8.8998 127.5908 61.0289 34.1708 174.2047 120 I 4.9852 8.9196 128.9403 59.4582 40.2526 174.5747 121 V 4.8092 8.9198 127.0635 60.9855 34.2677 173.9049 122 A 5.0303 8.9425 130.2808 50.9717 20.6294 175.7010 123 A 4.7926 8.6715 122.3597 50.4818 23.2806 175.6523 124 L 4.7900 8.5176 121.0161 54.4096 41.9850 177.5463 125 D 4.5056 8.9397 122.8337 54.9539 40.2737 176.5354 126 G 4.3632 7.6915 106.4168 43.3083 0.0000 172.3583 127 T 4.0933 8.2896 112.4959 60.1314 70.0283 175.2926 128 F 4.8253 8.8320 115.0051 58.9323 37.3409 175.7400 129 Q 4.2841 7.1758 119.2090 54.1584 28.6100 175.8004 130 R 3.6958 7.6726 115.9023 57.2979 28.2202 176.2006 131 K 4.5668 6.8396 112.0088 53.4621 34.7238 174.4926 132 P 4.4708 0.0000 0.0000 63.1606 31.7008 176.2820 133 F 4.3885 8.8328 125.1428 57.3365 39.5597 175.4109 134 G 3.8182 8.4432 120.5675 47.2772 0.0000 172.9052 135 A 4.5603 8.3687 127.0168 51.9690 19.5409 178.5584 136 I 3.6872 7.5593 120.1222 64.7486 37.8828 177.8841 137 L 4.1901 7.8514 118.4494 56.7881 41.3730 178.4895 138 N 4.4227 8.0726 115.9493 55.5364 38.7091 176.7164 139 L 4.1483 8.0182 120.9004 57.1283 41.7531 179.3337 140 V 3.5851 7.8185 118.8243 65.6348 31.3335 176.1731 141 P 4.4492 0.0000 0.0000 64.2077 31.3393 177.3887 142 L 4.3735 7.7353 116.3173 53.8300 42.5594 175.9718 143 A 4.7728 7.1385 122.0515 50.4952 20.5185 177.1469 144 E 4.2292 8.5312 121.8179 58.7464 30.4189 177.6319 145 S 4.6952 7.8852 113.3089 56.4723 66.1230 173.0928 146 V 4.9297 8.3391 125.4577 61.5607 34.4277 174.3411 147 V 4.6123 8.8189 119.7621 59.3795 36.2956 174.4032 148 K 4.8278 8.4555 123.3508 54.6712 34.0576 175.8308 149 L 4.5251 9.0115 128.3600 54.6581 42.7121 176.3889 150 T 4.7473 8.3634 110.0011 60.2259 71.7532 173.3791 151 A 4.7904 8.5975 125.1616 50.5853 22.5228 175.1469 152 V 4.5877 8.1412 117.1232 61.6039 33.2152 175.6512 153 C 4.4660 9.0649 129.2197 59.9339 31.9863 174.0114 154 M 4.2127 8.9682 125.8097 56.4372 31.9649 176.6974 155 E 4.2579 7.6571 117.3009 56.5878 31.3009 176.1667 156 C 4.4395 6.8280 109.4416 56.3808 31.0778 175.0672 157 F 4.1543 7.5326 117.7824 58.0814 36.9367 175.2733 158 R 4.3836 7.2762 119.8278 55.4522 31.8626 175.1908 159 E 4.5895 8.7602 120.4168 56.6436 30.4933 176.0992 160 A 4.9142 9.1019 127.6782 50.2214 21.5624 176.3031 161 A 4.3314 8.3334 121.9664 51.6138 20.6243 175.1516 162 Y 4.9370 7.6805 112.2235 56.2298 42.9336 174.4169 163 T 5.1686 8.5707 116.3287 61.9011 71.9185 173.0468 164 K 4.8162 9.4241 128.5156 54.9506 34.2607 175.1535 165 R 4.5237 8.7728 127.8327 56.1124 30.2995 176.1081 166 L 4.0023 8.7345 127.1759 57.2097 42.2914 177.5259 167 G 3.9662 7.5022 108.6194 45.0014 0.0000 173.2253 168 T 4.3846 7.1800 107.5578 61.0062 69.6480 174.6707 169 E 3.9496 7.9096 122.0770 57.2051 29.8598 176.8943 170 K 4.4423 8.3951 120.9863 57.3681 33.4413 177.2024 171 E 4.2883 7.8867 117.4673 55.8660 30.2441 177.1440 172 V 3.7947 8.5280 121.8911 66.0354 31.7548 176.3083 173 E 4.5042 8.1525 123.3203 55.3219 28.8076 176.0259 174 V 4.3266 8.3048 126.1659 60.7708 33.2390 174.9169 175 I 4.0044 8.6108 128.8772 60.9441 37.5993 176.2066 176 G 4.3332 8.0885 113.2403 45.7366 0.0000 173.7343 177 G 4.3945 7.9413 109.2337 45.2991 0.0000 176.2030 178 A 5.0622 9.2334 124.7697 53.7119 18.7081 178.4316 179 D 4.5285 8.3020 114.9074 55.4008 39.7838 177.0864 180 K 4.4335 8.4766 117.4934 56.1667 34.8033 175.7112 181 Y 5.4408 8.0308 116.6815 56.5703 42.8208 173.6309 182 H 5.5741 9.1393 119.3207 53.7522 32.2583 173.6841 183 S 5.0080 9.0981 117.7160 58.8814 64.3720 173.5000 184 V 4.9550 9.0930 116.1438 59.7466 36.6937 174.9341 185 C 4.8754 8.5979 117.7668 57.1976 31.0995 174.5037 186 R 3.9426 8.9582 119.1708 59.7146 29.3410 177.8978 187 L 4.2923 7.9842 118.0249 58.2907 41.7030 179.2316 188 C 4.2577 8.1455 115.8878 62.5084 27.9842 175.2759 189 Y 3.9633 8.0953 121.6320 60.2395 38.0903 177.1672 190 F 4.6802 7.6269 115.0082 57.1868 39.3375 176.0338 191 K 4.2124 7.6976 124.1745 56.5914 32.4190 176.1267 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 18 R 8.24 4.33 0.00 1.84 2.14 0.00 3.16 0.00 0.00 3.22 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 19 G 8.02 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 20 Q 9.27 4.97 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.70 0.00 0.00 0.00 0.00 0.00 2.13 2.23 0.00 21 I 9.08 5.01 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.18 0.90 0.00 0.00 22 Q 9.27 5.10 0.00 1.92 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 23 V 8.73 4.74 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 0.96 0.00 0.00 0.92 0.00 0.00 24 I 9.20 4.69 1.85 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 1.22 0.61 0.89 0.00 0.00 25 L 8.72 5.59 0.00 1.64 1.54 0.90 0.75 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 26 G 7.95 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.90 0.00 2.19 2.18 0.00 3.82 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.08 0.00 28 M 8.26 3.73 0.00 0.53 1.46 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.09 0.00 29 F 8.12 3.96 0.00 3.28 3.19 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 30 S 7.54 4.54 0.00 4.02 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 31 G 8.08 3.88 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 0.00 32 K 8.26 3.91 0.00 1.76 1.84 0.00 1.86 0.00 0.00 1.91 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.46 7.81 33 S 8.00 4.15 0.00 4.05 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.81 3.88 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 1.22 0.00 0.00 35 E 8.37 3.91 0.00 2.08 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 0.00 2.30 2.36 0.00 36 L 8.12 3.95 0.00 1.86 1.86 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 37 M 8.16 4.09 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.84 0.00 38 R 8.29 3.88 0.00 1.95 2.08 0.00 3.08 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 39 R 8.09 3.94 0.00 2.10 2.07 0.00 3.21 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 40 V 8.08 3.68 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 1.08 0.00 0.00 1.03 0.00 0.00 41 R 8.39 4.02 0.00 1.96 1.98 0.00 3.20 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.90 0.00 42 R 7.75 3.84 0.00 1.68 1.66 0.00 3.05 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 43 F 7.71 4.29 0.00 3.24 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 8.35 4.26 0.00 2.22 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 45 I 8.08 3.73 1.96 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 1.24 0.82 0.98 0.00 0.00 46 A 7.53 4.38 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 47 Q 8.25 3.90 0.00 2.18 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.49 6.83 0.00 0.00 0.00 0.00 0.00 2.25 2.43 0.00 48 Y 7.87 4.28 0.00 3.15 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 49 K 8.73 4.33 0.00 1.75 1.76 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.55 1.48 7.81 50 C 8.74 5.51 0.00 2.84 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 51 L 8.87 4.82 0.00 1.73 1.46 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 52 V 8.44 4.93 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 1.05 0.00 0.00 0.94 0.00 0.00 53 I 9.04 5.09 1.68 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.63 0.72 0.00 0.00 54 K 8.84 5.10 0.00 1.87 1.93 0.00 1.33 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.39 7.81 55 Y 8.28 4.77 0.00 2.85 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.66 3.92 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 57 K 6.01 3.68 0.00 0.79 1.50 0.00 1.66 0.00 0.00 1.49 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.11 0.78 7.81 58 D 7.06 4.48 0.00 2.79 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 T 8.00 4.43 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 1.14 0.00 0.00 60 R 7.69 3.96 0.00 1.91 2.01 0.00 3.29 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 61 Y 8.58 3.85 0.00 2.88 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *75 A 8.17 4.24 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.60 4.35 0.00 1.79 1.56 0.93 0.68 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 77 P 0.00 5.08 0.00 2.10 2.02 0.00 3.86 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 1.98 1.96 0.00 78 A 8.90 4.81 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 79 C 9.04 4.75 0.00 3.17 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 80 L 7.68 5.08 0.00 1.89 1.76 0.97 0.76 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 81 L 9.18 3.53 0.00 1.28 0.13 0.43 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 82 R 8.73 4.00 0.00 2.04 1.99 0.00 3.13 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 83 D 7.98 4.57 0.00 2.93 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 V 7.79 4.94 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.83 0.00 0.00 85 A 8.13 4.22 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 8.02 3.91 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.00 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 87 E 8.20 4.11 0.00 2.27 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 2.41 2.45 0.00 88 A 8.25 4.10 1.53 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 0.00 0.00 0.00 0.00 0.00 0.00 89 L 8.13 4.13 0.00 1.80 1.73 0.90 0.68 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 90 G 7.55 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 Q 7.54 3.75 0.00 1.42 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.94 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 101 F 7.24 4.17 0.00 1.87 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 0.00 102 F 7.71 4.64 0.00 3.06 3.09 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 0.00 103 P 0.00 4.38 0.00 2.23 2.24 0.00 3.88 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 2.06 2.01 0.00 104 D 8.00 5.28 0.00 2.91 2.96 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 0.00 105 I 7.86 3.65 2.08 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 1.42 1.22 0.99 0.00 0.00 106 V 7.74 3.60 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 1.03 0.00 0.00 0.95 0.00 0.00 107 E 8.19 4.00 0.00 2.16 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 2.43 2.45 0.00 108 F 8.47 4.05 0.00 3.06 3.02 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 0.00 0.00 0.00 109 C 8.35 4.12 0.00 3.10 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 0.00 110 E 8.28 3.84 0.00 2.12 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 2.29 2.34 0.00 111 A 7.93 3.91 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.88 3.79 0.00 1.73 1.76 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.89 0.00 113 A 8.12 4.16 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 0.00 114 N 8.36 4.44 0.00 2.72 2.85 0.00 0.00 6.98 7.07 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 0.00 115 A 7.39 4.42 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.90 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 0.00 0.00 0.00 117 K 7.98 4.37 0.00 1.73 1.61 0.00 1.47 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.50 7.81 118 T 8.29 4.62 3.72 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 0.85 0.00 0.00 119 V 8.90 4.75 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 1.04 0.00 0.00 0.83 0.00 0.00 120 I 8.92 4.99 1.87 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.62 0.93 0.00 0.00 121 V 8.92 4.81 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 0.94 0.00 0.00 0.93 0.00 0.00 122 A 8.94 5.03 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 0.00 123 A 8.67 4.79 1.14 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 0.00 0.00 124 L 8.52 4.79 0.00 1.22 1.77 0.79 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 125 D 8.94 4.51 0.00 2.82 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 0.00 126 G 7.69 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 0.00 0.00 0.00 0.00 127 T 8.29 4.09 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 0.46 0.00 0.00 128 F 8.83 4.83 0.00 3.38 3.45 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 0.00 129 Q 7.18 4.28 0.00 1.74 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.36 0.00 0.00 0.00 0.00 0.00 1.34 1.16 0.00 130 R 7.67 3.70 0.00 1.60 1.71 0.00 2.21 0.00 0.00 2.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.95 0.00 131 K 6.84 4.57 0.00 1.65 1.57 0.00 1.53 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.27 1.41 7.81 132 P 0.00 4.47 0.00 2.03 2.00 0.00 3.62 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 133 F 8.83 4.39 0.00 2.97 2.66 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 0.00 134 G 8.44 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 0.00 135 A 8.37 4.56 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 0.00 136 I 7.56 3.69 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.16 1.01 0.00 0.00 137 L 7.85 4.19 0.00 1.73 1.69 0.92 0.72 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 0.00 138 N 8.07 4.42 0.00 2.87 2.89 0.00 0.00 7.00 7.24 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 0.00 139 L 8.02 4.15 0.00 1.84 1.71 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 140 V 7.82 3.59 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.95 0.00 0.00 141 P 0.00 4.45 0.00 2.06 2.09 0.00 3.87 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 2.02 2.17 0.00 142 L 7.74 4.37 0.00 1.76 1.86 0.96 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 143 A 7.14 4.77 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 0.00 144 E 8.53 4.23 0.00 2.00 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 2.34 2.29 0.00 145 S 7.89 4.70 0.00 3.84 3.63 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 0.00 146 V 8.34 4.93 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 0.85 0.00 0.00 0.92 0.00 0.00 147 V 8.82 4.61 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 0.64 0.00 0.00 0.96 0.00 0.00 148 K 8.46 4.83 0.00 1.68 1.63 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.65 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.24 1.37 7.81 149 L 9.01 4.53 0.00 1.49 1.56 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 150 T 8.36 4.75 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 151 A 8.60 4.79 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 0.00 152 V 8.14 4.59 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 0.95 0.00 0.00 0.99 0.00 0.00 153 C 9.06 4.47 0.00 3.00 2.79 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 0.00 154 M 8.97 4.21 0.00 1.74 1.87 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.38 0.00 155 E 7.66 4.26 0.00 1.82 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 2.13 2.14 0.00 156 C 6.83 4.44 0.00 3.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 F 7.53 4.15 0.00 3.34 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 0.00 158 R 7.28 4.38 0.00 1.84 1.92 0.00 3.16 0.00 0.00 3.13 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.61 0.00 159 E 8.76 4.59 0.00 1.99 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 2.27 2.32 0.00 160 A 9.10 4.91 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 0.00 161 A 8.33 4.33 0.41 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 0.00 162 Y 7.68 4.94 0.00 2.94 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 T 8.57 5.17 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 1.29 0.00 0.00 164 K 9.42 4.82 0.00 1.92 1.80 0.00 1.47 0.00 0.00 1.31 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.28 7.81 165 R 8.77 4.52 0.00 1.76 1.74 0.00 2.44 0.00 0.00 2.94 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.16 0.00 166 L 8.73 4.00 0.00 1.38 1.59 0.78 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 167 G 7.50 3.97 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 0.00 0.00 0.00 168 T 7.18 4.38 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 1.17 0.00 0.00 169 E 7.91 3.95 0.00 1.74 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 2.24 2.32 0.00 170 K 8.40 4.44 0.00 1.76 1.92 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.46 7.81 171 E 7.89 4.29 0.00 1.98 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 2.35 2.31 0.00 172 V 8.53 3.79 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 0.42 0.00 0.00 0.90 0.00 0.00 173 E 8.15 4.50 0.00 2.29 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 2.34 2.41 0.00 174 V 8.30 4.33 2.18 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 0.93 0.00 0.00 0.95 0.00 0.00 175 I 8.61 4.00 1.89 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.84 0.97 0.00 0.00 176 G 8.09 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 0.00 0.00 0.00 0.00 177 G 7.94 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 A 9.23 5.06 1.07 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 0.00 179 D 8.30 4.53 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 0.00 180 K 8.48 4.43 0.00 1.53 1.28 0.00 1.57 0.00 0.00 1.51 0.00 0.00 2.84 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.24 1.37 7.81 181 Y 8.03 5.44 0.00 3.12 2.96 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 0.00 182 H 9.14 5.57 0.00 3.16 3.19 0.00 5.64 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 S 9.10 5.01 0.00 4.05 4.57 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.09 4.96 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 0.99 0.00 0.00 1.28 0.00 0.00 185 C 8.60 4.88 0.00 3.19 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 0.00 186 R 8.96 3.94 0.00 2.09 2.18 0.00 3.35 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 1.85 1.90 0.00 187 L 7.98 4.29 0.00 1.80 1.77 0.97 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 188 C 8.15 4.26 0.00 3.02 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 0.00 189 Y 8.10 3.96 0.00 3.07 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 0.00 190 F 7.63 4.68 0.00 3.15 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 K 7.70 4.21 0.00 1.82 2.12 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.29 1.28 7.81 * Residues marked with a * may have inaccurate shift predictions.