NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 35 Q 4.2070 8.3029 121.7101 56.2435 31.2096 177.2853 36 R 3.7713 8.0770 119.1365 61.6613 29.0841 179.0852 37 R 4.2133 8.3752 122.1966 62.3950 29.7318 181.1724 38 Q 4.2099 7.9269 120.6758 59.6516 27.9041 179.5605 39 A 4.1316 8.4831 123.0626 55.4615 18.4340 179.3105 40 I 3.6039 7.5637 117.2366 64.8541 37.0419 178.2481 41 L 3.8889 7.6977 118.4217 58.2385 41.6537 179.2932 42 D 4.4472 8.3324 117.2407 57.1816 41.0769 178.3343 43 A 4.1534 9.0879 121.9317 55.0136 18.3935 180.3182 44 A 3.6697 8.2007 118.0212 52.9897 18.8569 179.5943 *46 R 4.2410 7.9973 121.5971 57.8469 32.3193 178.2482 47 L 4.0067 7.8317 117.6471 57.6181 41.5312 179.7445 48 I 4.0316 7.5572 120.6896 63.8923 36.9508 178.2412 49 V 3.6211 7.8506 117.1706 66.7199 31.2563 177.3843 50 R 4.1966 8.2292 119.5266 58.5165 30.0289 177.7671 51 D 4.9512 8.4052 119.6448 54.4397 41.2798 179.6293 52 G 4.2067 8.0281 111.2581 45.2696 0.0000 175.6594 53 V 3.6904 8.4492 119.4387 65.4458 31.3182 179.4314 54 R 3.9905 8.0393 117.0492 58.1287 29.3276 178.6036 55 A 4.3561 7.8344 116.6796 52.7429 19.0001 177.7939 56 V 3.8204 7.5420 116.9230 62.4017 30.4020 175.2012 57 R 4.7913 7.9013 124.7119 53.4435 34.3385 176.4931 58 H 4.0965 8.8563 116.3408 59.3304 28.5421 177.8869 59 R 3.9366 8.0186 119.8101 59.2402 30.1981 177.9350 60 A 3.9931 8.0584 120.0854 55.2838 18.2061 179.6645 61 V 3.4741 7.8979 116.2843 66.0695 31.7163 177.9023 62 A 3.9642 8.5809 120.7052 55.2926 18.0036 178.9434 63 A 3.9248 8.6552 119.2526 55.9992 18.1829 179.8220 64 E 3.9160 7.9507 115.1251 59.1666 29.7204 178.9416 65 A 4.1798 8.5058 118.7827 52.0125 19.2053 176.8234 66 Q 3.5645 7.8193 114.7532 57.3377 26.0590 173.1208 67 V 4.5684 7.7618 109.2472 58.6010 35.7357 174.0799 68 P 4.4542 0.0000 0.0000 62.2294 32.0259 177.3913 69 L 3.7042 8.5208 123.3957 58.6141 42.3443 179.2612 70 S 4.0259 8.4216 111.4814 61.7361 62.8364 175.4866 71 A 4.1851 7.3262 123.7016 54.7717 19.2674 178.1177 72 T 4.6534 7.5230 111.0849 61.6564 67.4751 175.5070 *78 D 4.5641 8.7544 119.9410 53.6331 42.3436 176.3777 79 I 3.6522 8.0069 122.1660 64.6664 37.6834 177.4405 80 D 4.4683 8.1032 118.7374 56.9978 40.5902 178.2721 81 D 4.3764 8.1884 120.0841 56.9459 40.7447 178.3321 82 L 3.8676 7.8172 120.3713 58.1753 42.2040 178.6435 83 I 3.4945 7.7172 119.6214 64.8486 37.0743 178.2886 84 T 4.0322 7.8678 116.1575 66.9845 68.2962 176.3199 85 D 4.3350 8.2854 120.6213 57.5867 40.8597 178.7408 86 T 3.6981 8.0364 116.5478 66.9732 68.5435 176.7103 87 F 4.4315 7.9409 118.7827 60.0548 38.8662 177.7142 88 A 3.9249 8.3473 121.4378 54.9807 18.1166 179.3773 89 L 3.9373 8.2029 121.4012 58.7743 42.1510 179.7954 *90 F 3.9773 8.0507 120.4463 61.9086 37.9389 179.0487 91 V 3.5936 7.2592 119.0834 66.0503 31.0992 177.8203 92 E 3.9179 8.1308 118.5482 59.3556 29.3860 179.0053 93 R 3.9108 8.1885 118.3151 59.0137 30.0000 178.5699 94 N 4.2852 8.3392 116.6962 56.6170 38.9494 176.6622 95 A 4.0736 8.2490 122.3855 55.4973 18.4366 179.5423 96 E 3.9453 8.6477 117.1556 59.4744 29.4478 179.4927 97 A 4.0527 8.4357 121.2902 54.9366 18.3415 179.4902 98 L 4.0826 8.4262 119.3255 58.2782 42.0980 179.2553 99 S 4.2810 8.5853 115.2919 61.7498 62.7657 176.4540 100 A 4.0249 8.2735 123.4070 55.1264 17.8522 179.3719 101 F 4.0705 8.4073 118.3401 61.3878 39.9050 177.1142 102 W 4.0039 8.2865 118.6278 59.6144 28.3522 178.3510 103 S 4.1267 8.5260 113.7568 61.5179 61.6167 176.4686 104 S 4.1635 8.1686 115.6311 60.4882 62.8727 175.7392 105 V 4.1222 7.0260 113.8643 60.6486 31.8407 176.7195 106 E 4.0589 7.8018 120.7715 59.6496 29.2914 179.1860 107 G 3.5662 7.9862 104.8770 47.8386 0.0000 175.2922 108 D 4.3762 7.9636 119.9429 57.0232 40.9860 178.1519 109 L 4.1640 8.1784 120.3020 58.0551 42.3039 178.3286 110 Q 4.1701 8.3634 119.8524 59.0793 28.9216 179.1629 111 E 4.3092 8.4473 119.6640 56.3710 29.8766 178.2555 *113 A 4.1678 8.0874 121.8188 51.6965 20.9818 179.8286 114 A 3.9633 7.9111 117.3656 55.2570 18.4206 179.7596 115 V 3.5384 7.9890 117.0732 66.5010 31.3029 178.3414 116 L 4.1682 7.8540 116.4215 57.4958 41.5520 178.9138 117 A 4.1317 7.6210 120.0343 55.2801 18.4265 179.1523 118 D 4.6941 7.9682 116.4207 56.1729 41.8117 176.3392 119 D 4.5899 8.1850 119.2043 51.5688 41.9253 173.2853 120 P 4.2709 0.0000 0.0000 65.1070 31.6274 178.6745 121 G 3.7191 8.1814 104.4049 46.9811 0.0000 174.1219 122 A 4.3176 8.0413 121.7098 52.3479 18.5844 179.1259 123 R 3.9579 7.6980 118.5686 59.4144 30.0018 178.8696 124 G 3.7427 8.0898 103.1552 48.0737 0.0000 175.2697 125 S 4.3013 8.0085 117.1729 61.2438 62.8811 176.4331 126 L 4.0174 8.2099 121.9938 58.1163 41.4194 179.9076 127 V 3.6450 8.0379 117.8307 65.8609 31.1858 177.9658 128 E 3.9724 7.8724 118.6779 59.2740 29.3244 179.1928 129 R 3.9108 7.9364 118.1146 59.5895 30.2572 178.3441 130 I 3.7586 8.1114 119.9445 64.4390 37.0905 178.6376 131 V 3.6281 8.0362 119.0241 66.0402 31.3898 177.9264 132 E 3.9897 7.9920 118.4399 59.4733 29.3342 179.3787 133 L 4.0518 8.0178 118.8015 57.5684 41.6461 179.5025 134 A 3.8326 8.1860 120.7659 55.2789 18.3822 179.8905 135 V 3.5487 7.9260 116.8161 66.0580 31.5525 177.8393 136 Q 3.9328 8.1578 119.4329 59.3916 28.8355 177.3179 137 Y 3.8542 7.9573 120.3078 61.0452 38.6024 178.5155 138 V 3.2392 7.8387 118.5315 65.8890 31.4469 177.9506 139 Q 3.8982 8.2944 118.1746 59.2129 28.5665 179.3797 140 V 3.5331 7.6676 118.9586 65.9175 31.6089 178.0186 141 Q 3.8189 7.8397 117.9283 58.5184 28.2968 178.0600 142 L 4.4048 7.5209 117.5002 55.8623 42.0457 176.3482 143 T 4.4194 7.2484 106.0696 63.0332 71.3862 175.3789 144 E 4.0752 8.3699 123.2719 57.9384 29.9845 178.6662 145 R 4.6212 7.4924 115.1272 55.7004 31.0722 177.7441 146 R 3.8492 8.3092 120.3737 60.0370 29.7593 177.8544 147 E 3.9544 8.0089 117.3935 59.5837 29.5788 178.6520 148 H 4.2228 7.9807 115.7759 59.0915 28.7673 177.6145 149 L 4.0596 8.0967 120.5377 57.7837 41.5087 179.5232 150 L 4.0003 8.4090 119.1724 57.8466 41.5731 179.5118 151 A 4.1623 8.6262 121.1531 55.0159 18.3017 179.2794 152 E 4.0524 8.3627 118.0519 59.6105 29.7164 179.1050 153 Q 4.0656 8.4874 118.0584 58.8660 28.7515 178.6216 154 A 4.0244 8.0340 121.7658 54.9128 18.3576 179.3976 155 F 3.0775 8.2438 119.1352 61.1783 39.1587 177.4585 156 R 3.4463 7.9212 117.5141 59.2912 29.6802 178.6510 157 Q 3.9099 7.5784 117.6705 59.4317 29.2122 178.2013 158 E 3.9962 7.9643 119.2020 59.0912 29.6390 178.8428 159 A 3.7385 7.5848 120.9892 55.0354 18.0044 179.4120 160 L 3.9306 6.9253 116.4630 58.0376 41.8801 179.2930 161 L 4.5026 7.6942 115.8871 54.2189 42.2187 176.0458 162 N 4.8896 7.3008 117.0778 50.6058 40.2814 173.0940 163 P 4.3249 0.0000 0.0000 65.9375 31.2199 178.4801 164 R 4.0253 8.2474 116.5559 58.3864 30.2993 177.6515 165 L 4.6311 7.7666 117.0934 55.1293 42.2860 178.6986 166 R 4.0051 7.8931 121.3198 60.0519 29.9698 178.4069 167 E 3.9095 8.4455 116.9967 61.6353 29.3970 181.1384 168 L 4.2514 8.1162 117.7758 58.1607 41.8793 179.8425 169 A 4.2916 8.3271 120.1949 55.1930 18.2316 179.4073 170 D 4.3180 8.3678 117.4395 57.0081 40.9911 178.4434 171 A 4.0193 8.1341 121.5435 55.6853 18.3473 179.2841 172 H 4.2304 8.5994 116.6006 59.7637 29.9545 177.5987 173 Q 4.1134 8.5814 122.4318 59.5130 28.2159 179.7390 174 R 4.1105 7.8701 121.2804 61.2083 29.8444 182.1665 175 I 4.0879 7.9517 120.2750 64.3061 36.9359 178.1005 176 L 4.0595 7.6705 118.6975 58.3203 41.8016 179.8575 177 S 4.3900 7.8310 111.8699 61.0696 62.9438 176.3151 178 L 4.1782 7.9991 122.8301 57.4336 41.0221 179.4127 179 G 3.0532 8.0960 105.2289 47.4198 0.0000 175.4155 180 A 4.0120 7.9309 122.3887 54.3690 18.2928 180.0105 181 V 3.6602 7.4511 117.4712 66.4668 31.6804 177.8839 182 H 4.1063 8.0012 114.4777 58.4322 28.2624 177.1667 183 F 3.8970 7.0790 122.8945 61.1921 39.1856 177.2014 184 F 3.8986 8.0005 117.4059 60.2785 38.5373 177.5350 185 Q 3.9016 8.3019 119.4007 59.2836 28.7096 178.4743 186 V 3.5400 7.9285 118.1387 65.5364 31.5670 176.9571 187 L 4.3336 7.3276 116.0994 54.0135 41.6366 177.0789 188 G 3.8170 8.0366 107.3059 46.0410 0.0000 174.1409 189 S 4.1824 8.0521 113.9991 57.7017 62.8849 174.7453 190 G 3.7776 8.6395 115.5987 48.4865 0.0000 174.0727 191 Q 4.5106 7.8063 117.7704 52.2430 29.8013 173.4189 192 P 4.2266 0.0000 0.0000 65.6232 31.6507 177.9548 193 E 3.9911 8.0529 116.9227 59.4657 29.5138 179.1668 194 Q 4.0063 7.9250 117.6540 58.7802 28.8203 178.1244 195 D 4.7538 8.5443 121.5652 56.7430 40.6500 178.5551 196 A 4.4343 8.1740 121.4999 55.3633 18.3771 179.9018 197 K 3.9879 7.9188 117.1516 59.3702 32.1034 179.9079 198 V 3.4318 7.7255 118.6191 65.6755 31.3581 177.6303 199 L 4.0313 8.2487 120.4889 58.7580 41.9468 178.8632 200 T 3.9425 8.1380 115.4551 67.0678 68.4835 176.5937 201 S 4.1222 8.0820 116.6775 61.6383 62.6065 176.9633 202 I 3.7373 7.5483 121.3601 64.4783 36.9792 178.2920 203 I 3.9250 7.8931 119.7593 64.2914 37.2033 178.1712 204 L 4.2504 8.1789 120.0271 57.6255 41.3746 179.6925 205 Q 4.3578 7.8542 117.7697 56.4213 29.0977 177.7779 *207 E 4.2056 8.1392 118.6244 56.1490 31.7868 177.5380 208 Y 3.9821 8.1865 119.0697 60.9323 38.7394 178.1434 209 Q 4.0047 8.5605 120.6557 58.9653 29.0589 178.2018 210 G 3.6325 8.0168 106.4300 47.7437 0.0000 175.4608 211 L 3.8930 7.6199 120.4094 57.3995 41.6328 179.6024 212 V 3.5643 7.1862 117.2813 66.1075 31.6129 177.6097 213 D 4.4288 8.1166 117.8551 54.6274 41.1183 178.2554 214 G 4.1036 7.9250 103.1716 45.4164 0.0000 174.7574 215 V 3.6269 8.0597 112.7136 64.2065 31.6620 177.7774 216 E 4.2311 8.0634 116.9911 57.9597 29.6080 176.8993 217 Q 4.6250 7.8441 117.5130 55.0151 30.0591 175.4191 218 L 3.8812 8.1925 117.3084 55.6124 42.3207 178.4260 219 A 4.4547 8.2190 127.8947 50.8683 17.6129 177.8152 220 V 3.6305 7.5685 122.7186 65.3096 32.6894 177.1767 221 D 4.5055 8.0533 119.2534 57.1685 41.0496 177.6116 222 E 4.3186 7.8409 119.4744 56.5432 29.3933 178.7837 *224 R 4.2355 8.2441 117.1526 55.7895 32.3304 177.9983 225 A 4.0329 8.0385 119.4391 55.0306 18.3725 179.8120 226 I 3.6980 8.0187 118.4281 64.5849 37.1725 178.5491 227 L 4.1481 7.9771 119.2886 58.0013 41.5102 179.5245 228 R 3.9411 8.2860 118.6574 59.2433 30.1389 178.4657 229 R 3.9089 8.1970 118.6041 59.6134 30.1433 177.9028 230 Y 4.2839 8.0006 118.8034 60.9200 38.6474 178.0092 231 L 3.8718 8.1582 118.9292 57.5263 41.9395 178.7575 232 N 4.4612 8.6300 117.0302 56.4231 38.3162 177.2041 233 L 4.0206 7.4928 118.3045 57.7113 41.8086 181.2435 234 V 3.7140 7.2639 115.3581 62.9741 31.4675 176.5148 *236 G 3.8412 7.8502 103.0602 44.5127 0.0000 173.6260 237 L 4.2479 8.2936 125.8016 54.5900 41.7479 176.4827 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 35 Q 8.30 4.21 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 36 R 8.08 3.77 0.00 1.93 1.94 0.00 3.34 0.00 0.00 3.36 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.32 0.00 37 R 8.38 4.21 0.00 1.80 2.00 0.00 3.22 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.30 0.00 38 Q 7.93 4.21 0.00 2.05 2.13 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 1.99 0.00 39 A 8.48 4.13 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 40 I 7.56 3.60 2.01 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.72 0.88 0.00 0.00 41 L 7.70 3.89 0.00 1.76 1.69 0.89 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.33 4.45 0.00 2.79 2.71 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 43 A 9.09 4.15 1.28 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 0.00 0.00 0.00 44 A 8.20 3.67 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 *46 R 8.00 4.24 0.00 2.00 2.02 0.00 3.12 0.00 0.00 3.32 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 47 L 7.83 4.01 0.00 1.89 1.71 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 48 I 7.56 4.03 1.90 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 2.02 1.18 0.00 0.00 49 V 7.85 3.62 2.24 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 0.83 0.00 0.00 0.95 0.00 0.00 50 R 8.23 4.20 0.00 1.92 1.97 0.00 3.28 0.00 0.00 3.26 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 51 D 8.41 4.95 0.00 2.78 2.49 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 52 G 8.03 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 53 V 8.45 3.69 2.24 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 0.84 0.00 0.00 1.11 0.00 0.00 54 R 8.04 3.99 0.00 1.85 1.90 0.00 3.25 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 55 A 7.83 4.36 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 56 V 7.54 3.82 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 0.72 0.00 0.00 0.89 0.00 0.00 57 R 7.90 4.79 0.00 1.86 1.77 0.00 3.20 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 58 H 8.86 4.10 0.00 3.16 3.36 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 R 8.02 3.94 0.00 1.89 1.90 0.00 3.21 0.00 0.00 3.35 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 60 A 8.06 3.99 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 61 V 7.90 3.47 2.24 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 0.96 0.00 0.00 0.92 0.00 0.00 62 A 8.58 3.96 1.39 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 63 A 8.66 3.92 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 64 E 7.95 3.92 0.00 2.15 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 2.55 2.46 0.00 65 A 8.51 4.18 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 66 Q 7.82 3.56 0.00 2.19 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.63 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 67 V 7.76 4.57 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 0.72 0.00 0.00 0.93 0.00 0.00 68 P 0.00 4.45 0.00 2.18 1.96 0.00 3.63 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 69 L 8.52 3.70 0.00 1.72 1.68 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 70 S 8.42 4.03 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.33 4.19 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 72 T 7.52 4.65 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 1.34 0.00 0.00 *78 D 8.75 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0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.67 2.63 0.00 154 A 8.03 4.02 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 0.00 155 F 8.24 3.08 0.00 2.82 3.13 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 0.00 0.00 0.00 156 R 7.92 3.45 0.00 1.85 1.86 0.00 3.28 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 1.64 1.87 0.00 157 Q 7.58 3.91 0.00 2.21 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.98 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 158 E 7.96 4.00 0.00 1.83 1.73 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 2.35 2.62 0.00 159 A 7.58 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 L 6.93 3.93 0.00 1.58 1.70 0.85 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 161 L 7.69 4.50 0.00 1.60 1.70 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 162 N 7.30 4.89 0.00 2.83 2.65 0.00 0.00 6.77 7.59 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 0.00 163 P 0.00 4.32 0.00 2.31 2.29 0.00 3.77 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 164 R 8.25 4.03 0.00 2.02 2.10 0.00 3.23 0.00 0.00 3.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 165 L 7.77 4.63 0.00 1.83 1.72 1.07 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 166 R 7.89 4.01 0.00 1.85 1.98 0.00 3.13 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 167 E 8.45 3.91 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.00 0.00 168 L 8.12 4.25 0.00 2.10 2.02 1.10 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 169 A 8.33 4.29 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 0.00 170 D 8.37 4.32 0.00 2.79 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 0.00 171 A 8.13 4.02 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 0.00 172 H 8.60 4.23 0.00 3.45 3.68 0.00 5.61 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 0.00 173 Q 8.58 4.11 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.59 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 174 R 7.87 4.11 0.00 1.93 1.85 0.00 3.27 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 175 I 7.95 4.09 2.05 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.09 0.99 0.00 0.00 176 L 7.67 4.06 0.00 1.81 1.81 0.87 0.80 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 0.00 177 S 7.83 4.39 0.00 4.15 4.17 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 0.00 0.00 0.00 0.00 178 L 8.00 4.18 0.00 1.87 1.74 0.98 0.61 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 0.00 179 G 8.10 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 0.00 0.00 0.00 180 A 7.93 4.01 1.62 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 0.00 181 V 7.45 3.66 2.25 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 1.13 0.00 0.00 0.98 0.00 0.00 182 H 8.00 4.11 0.00 3.31 3.42 0.00 5.52 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 F 7.08 3.90 0.00 2.59 2.88 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 0.00 184 F 8.00 3.90 0.00 3.10 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 0.00 185 Q 8.30 3.90 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 186 V 7.93 3.54 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 0.86 0.00 0.00 0.94 0.00 0.00 187 L 7.33 4.33 0.00 1.54 1.50 -0.07 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 188 G 8.04 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 0.00 189 S 8.05 4.18 0.00 3.90 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 0.00 190 G 8.64 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 0.00 191 Q 7.81 4.51 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.70 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 192 P 0.00 4.23 0.00 2.18 2.28 0.00 3.58 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 193 E 8.05 3.99 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 194 Q 7.93 4.01 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 195 D 8.54 4.75 0.00 1.76 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 0.00 196 A 8.17 4.43 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 0.00 197 K 7.92 3.99 0.00 1.86 1.86 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.70 1.59 7.81 198 V 7.73 3.43 1.82 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 0.20 0.00 0.00 0.87 0.00 0.00 199 L 8.25 4.03 0.00 2.47 2.25 1.20 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 200 T 8.14 3.94 4.49 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 1.25 0.00 0.00 201 S 8.08 4.12 0.00 3.98 3.87 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 0.00 202 I 7.55 3.74 2.03 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 1.45 0.49 0.95 0.00 0.00 203 I 7.89 3.92 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.77 1.02 0.00 0.00 204 L 8.18 4.25 0.00 1.85 1.75 0.95 0.77 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 0.00 205 Q 7.85 4.36 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.39 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 *207 E 8.14 4.21 0.00 2.29 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 2.24 2.41 0.00 208 Y 8.19 3.98 0.00 3.13 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 0.00 209 Q 8.56 4.00 0.00 2.36 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 210 G 8.02 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 0.00 0.00 0.00 211 L 7.62 3.89 0.00 1.56 1.60 0.91 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 212 V 7.19 3.56 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 0.76 0.00 0.00 0.43 0.00 0.00 213 D 8.12 4.43 0.00 2.60 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 0.00 214 G 7.93 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 0.00 0.00 0.00 215 V 8.06 3.63 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 0.75 0.00 0.00 0.90 0.00 0.00 216 E 8.06 4.23 0.00 1.94 1.98 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 2.29 2.31 0.00 217 Q 7.84 4.63 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 218 L 8.19 3.88 0.00 1.61 1.60 0.88 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 219 A 8.22 4.45 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 0.00 220 V 7.57 3.63 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 0.89 0.00 0.00 0.95 0.00 0.00 221 D 8.05 4.51 0.00 2.75 2.71 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 0.00 222 E 7.84 4.32 0.00 2.01 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 2.32 2.29 0.00 *224 R 8.24 4.24 0.00 2.14 2.02 0.00 3.35 0.00 0.00 3.36 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 225 A 8.04 4.03 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 0.00 226 I 8.02 3.70 1.91 0.00 0.00 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 1.55 1.21 0.95 0.00 0.00 227 L 7.98 4.15 0.00 1.75 1.82 0.96 0.94 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 0.00 228 R 8.29 3.94 0.00 1.99 2.15 0.00 3.13 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 229 R 8.20 3.91 0.00 2.08 2.24 0.00 3.25 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 230 Y 8.00 4.28 0.00 3.13 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 0.00 231 L 8.16 3.87 0.00 1.71 1.78 1.10 1.43 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 0.00 232 N 8.63 4.46 0.00 2.90 3.04 0.00 0.00 6.97 6.60 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 0.00 233 L 7.49 4.02 0.00 1.85 1.74 1.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 234 V 7.26 3.71 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 0.79 0.00 0.00 0.40 0.00 0.00 *236 G 7.85 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 0.00 0.00 0.00 237 L 8.29 4.25 0.00 1.72 1.58 0.95 0.68 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 * Residues marked with a * may have inaccurate shift predictions.