NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 4.0907 8.2548 109.1367 45.7707 0.0000 174.8923 *2 Q 4.2651 8.4961 123.8039 55.6624 30.3960 176.6301 3 T 3.9431 8.2934 119.1935 68.1028 68.4102 176.8714 4 T 3.9378 7.8279 115.3894 65.9803 68.5853 177.9641 5 E 4.1809 8.1151 121.6807 58.9311 29.6608 178.6785 6 I 3.6662 8.1651 120.4097 64.6463 37.1564 178.1091 7 D 4.6056 8.5181 119.9357 57.3905 40.6380 178.9199 8 L 4.0214 8.1127 119.4703 57.9074 41.6501 179.8349 9 R 3.9375 8.0324 117.9699 59.3370 30.0409 179.2139 10 L 4.0342 8.2981 119.0466 57.8298 41.3112 179.6257 11 T 4.0336 8.1354 115.5258 66.7129 68.6202 176.1444 12 E 4.1136 8.2770 120.5157 59.3743 29.4830 179.4829 13 V 3.5696 7.8273 118.2855 66.2162 31.1752 178.2383 14 S 4.7601 8.2300 115.6078 60.6647 62.4112 176.4333 15 Q 3.8951 7.7221 119.9055 58.1743 28.4345 177.0282 16 Q 4.6151 7.6443 115.2701 54.8187 31.3649 175.2587 17 L 4.9943 8.0499 117.2308 53.1080 45.5732 175.8718 18 T 4.7999 8.1973 118.8797 62.3600 72.3706 173.2951 *20 V 4.2184 8.2271 123.6355 63.6899 33.2254 175.8903 21 L 4.7366 9.0378 129.7601 54.6305 42.9664 176.3928 22 V 4.5792 9.1388 125.4656 60.4195 32.4620 173.2584 23 P 4.8263 0.0000 0.0000 61.8051 32.5230 176.9910 24 G 4.3000 8.3733 111.5361 44.6989 0.0000 172.6942 25 L 4.4336 8.3905 123.0293 56.9489 42.4073 178.5700 26 R 3.1491 9.2260 123.3739 55.5312 28.3926 176.3968 27 D 3.5876 7.6834 116.4706 53.2220 41.6845 172.8662 28 S 4.1596 7.5392 117.3194 56.6815 63.6805 174.6205 29 D 4.5871 8.1300 125.2520 52.3781 40.5251 176.6969 30 D 4.3046 8.5198 118.1712 57.0894 40.9045 177.4652 31 E 4.4505 7.8675 115.3925 56.5394 30.2628 175.5130 32 H 4.7144 8.0181 120.2913 55.2913 31.7035 175.4607 33 W 4.8841 8.4840 126.1970 59.5350 27.3714 178.5653 34 Q 3.6315 6.7698 117.8423 58.4578 28.0285 178.8669 35 S 4.1333 7.6602 115.8321 61.6158 62.9751 175.8651 36 H 4.1410 8.4564 119.1168 59.0639 28.5461 177.8540 37 W 4.4423 8.7651 120.8224 59.6555 28.9432 178.2469 38 E 4.0560 8.6155 119.4143 59.5171 28.9124 179.1588 39 R 3.9828 7.8561 116.7729 59.2616 30.1712 178.8026 40 R 3.7981 7.9686 117.7344 57.6127 31.3379 176.4971 41 F 4.5033 7.5184 117.0630 54.5132 39.0081 173.4678 42 P 4.5663 0.0000 0.0000 63.9400 31.7178 177.3625 43 H 4.6218 8.1530 112.7409 56.7455 29.2041 175.9240 44 W 4.4916 8.0913 120.8225 57.1488 29.5707 175.4031 45 Q 4.7913 8.4710 119.8689 55.0593 31.2044 174.3634 46 R 5.2417 8.1500 119.5653 55.1498 33.0052 174.5716 47 I 4.4608 8.3547 119.7891 60.3033 38.6440 175.4986 48 R 5.0299 8.3268 121.7071 54.9052 33.5885 174.4610 49 Q 4.3747 8.1126 116.7173 55.1159 31.2202 174.7644 50 R 3.9944 8.4220 119.7940 58.8301 30.3031 177.9090 51 E 4.7243 7.6478 112.8689 53.9223 32.6208 177.5823 52 W 4.5994 9.0215 122.6166 55.9448 30.5501 176.7654 53 Y 4.3444 8.3085 114.7380 58.1577 38.0544 175.0550 54 Q 4.5378 7.9632 119.0083 53.4179 31.0324 174.9064 55 A 3.0000 8.4323 126.2784 51.8230 18.5535 176.8033 56 D 4.6820 8.2706 121.7072 52.0286 44.2561 175.3892 57 L 4.0282 8.7408 129.0691 58.4893 42.2686 178.4396 58 D 4.3962 8.2116 118.3741 57.3743 40.7366 178.8668 59 R 3.9303 8.6132 118.6740 59.0067 30.0582 179.0569 60 W 3.8661 8.4660 118.3227 59.7045 28.9738 178.7433 61 V 3.6087 8.2879 118.5130 65.9089 30.9040 177.7762 62 L 3.9025 8.3987 120.3081 58.1271 41.9185 178.8122 63 A 3.8764 8.0911 120.7689 55.0649 18.1816 179.7759 64 I 3.6248 7.9160 118.3091 64.5194 37.2593 178.5545 65 R 3.9029 8.1675 119.2505 59.5388 29.7346 178.9574 66 R 3.9039 7.8991 116.2817 59.5118 30.4197 178.2999 67 E 4.0762 8.0758 118.6519 59.4326 29.6291 178.9108 68 L 4.0583 8.1730 119.3439 57.4995 41.4286 179.4136 69 S 4.1815 8.0000 113.7435 60.8369 62.8382 175.5159 70 V 4.1887 7.0041 112.0577 60.9829 32.0073 175.8145 71 C 4.3702 7.8814 119.3474 59.8784 28.4139 173.7394 72 T 4.3212 8.4232 112.8657 61.9021 69.5537 174.1811 73 Q 4.7079 7.5718 119.5043 52.7853 32.2085 173.0623 74 P 4.5695 0.0000 0.0000 63.0132 32.6588 175.7683 75 V 4.7737 8.4186 122.4527 61.2714 34.4940 174.3261 76 I 5.3376 8.1614 127.5081 58.8466 38.5598 175.3367 77 L 4.4120 8.5253 127.8413 54.4539 43.2653 176.0062 78 I 4.7047 9.3591 125.5558 59.7599 39.2426 174.7047 79 G 4.5284 8.7387 114.3216 44.6707 0.0000 170.0053 80 H 5.6323 8.7051 121.4958 54.1880 33.1187 173.1506 81 S 4.3065 8.9982 119.9602 58.3055 62.9519 173.8145 82 F 3.8517 9.0856 119.3670 61.0039 38.5389 175.8151 83 G 3.7721 8.2238 105.1314 47.8660 0.0000 175.5292 84 A 4.0137 7.6833 122.4464 54.7568 18.4243 179.3931 85 L 3.5946 7.6601 117.3410 57.8892 41.5851 179.6360 86 A 3.6961 7.6623 120.4611 54.8863 18.3602 179.4879 87 A 3.8572 7.9456 119.2386 55.3745 18.4336 179.3575 88 C 3.6678 7.8981 117.2345 62.7994 31.5632 175.3253 89 H 4.0178 8.2539 120.0554 59.1549 29.2941 177.3521 90 V 3.5401 7.9494 120.2692 65.9406 31.3711 178.1664 91 V 3.5513 7.5842 117.6614 66.2069 31.1680 178.1129 92 Q 4.0393 7.9576 116.5089 58.5011 28.5919 177.7745 93 Q 4.3135 7.8413 116.7320 55.8729 29.0408 176.5081 94 G 3.9164 7.9367 108.8301 44.9530 0.0000 173.5416 95 Q 3.8603 7.3770 120.3715 56.5466 29.2155 176.8040 96 E 4.2280 8.5819 124.4303 56.8629 30.7921 176.4859 97 G 3.8265 8.8593 107.0238 45.8326 0.0000 172.5887 98 I 4.6441 7.4497 119.6338 59.2203 38.5377 175.4552 99 A 4.1460 9.0297 129.0650 54.6316 19.2981 177.2002 100 G 4.0454 7.4465 99.6225 46.4122 0.0000 173.0929 101 V 5.2441 8.1727 112.0243 58.8405 36.3485 174.4155 *103 L 4.4289 8.4254 121.3189 55.6986 43.2890 176.2105 104 V 4.6233 8.9756 125.3141 60.9487 33.4691 175.7622 105 A 3.7792 8.9525 133.8700 52.3209 16.4243 175.0266 106 P 4.6122 0.0000 0.0000 62.8530 32.3703 176.6860 107 A 4.3739 8.3376 123.7730 51.1396 19.4901 176.8818 108 E 3.9667 8.7922 121.9215 55.8294 30.2648 177.0344 109 P 4.5428 0.0000 0.0000 62.4173 31.2827 178.2584 *111 R 4.1359 7.9755 117.6294 55.6420 31.9947 176.8438 112 F 4.8022 7.4178 116.3950 56.5024 39.5691 174.8132 113 E 4.0566 8.3479 117.7056 57.9638 27.0082 174.9360 114 I 4.8100 7.8242 107.8356 60.5249 38.2302 177.1006 115 D 4.5007 8.4291 122.5612 56.6156 39.1943 176.4050 116 D 4.7696 8.0784 117.3748 53.6194 39.9478 176.6574 117 R 4.5891 8.1021 117.3111 55.7442 32.1352 175.2746 118 I 4.4678 7.7785 118.9163 59.5008 38.6572 175.0451 119 Q 4.5944 9.0157 124.8686 55.2686 30.1106 176.5917 120 A 4.8438 8.5019 125.0481 50.2020 16.3424 176.2604 121 S 4.7241 7.9650 115.6765 55.3953 67.2409 173.3025 122 P 4.5803 0.0000 0.0000 62.9765 31.6766 176.3591 123 L 4.2647 8.8224 124.1442 54.3910 42.2598 178.1256 124 S 4.5024 8.5611 115.8765 59.5441 63.4408 173.9454 125 V 4.6291 7.0573 112.3434 58.5851 35.5712 173.7231 126 P 4.4944 0.0000 0.0000 63.8222 32.4320 175.5948 127 T 5.2662 8.7011 119.2968 61.7056 72.8583 172.3624 128 L 4.9068 8.4066 127.1055 53.3921 44.7482 175.5793 129 T 5.0381 8.7884 122.4389 61.8207 72.0428 172.7241 130 F 5.3526 9.6695 124.9650 55.6826 41.8487 174.4784 131 A 5.0952 9.3210 125.0852 50.2610 22.1269 174.8922 132 S 5.2010 8.8070 116.1117 57.3918 64.1595 173.7066 133 H 4.7042 9.2477 121.3484 56.0068 29.2860 175.1882 134 N 5.0308 7.6926 116.1524 51.8716 37.3486 173.8487 135 D 5.0007 7.9564 116.8982 52.5079 42.2262 174.0968 136 P 4.3957 0.0000 0.0000 65.0759 31.7225 176.7831 137 L 4.4855 8.2960 118.2631 54.7702 42.1272 176.1649 *139 S 4.5699 7.7920 112.8060 58.0390 65.2954 173.4882 140 F 4.0259 8.6469 124.8840 61.7490 39.2200 177.6369 141 T 4.0650 7.8570 110.3125 64.3034 68.5762 176.6923 142 R 3.9572 7.9758 120.2692 58.6716 30.0826 178.6081 143 A 4.0339 8.1995 121.0111 55.3406 18.1500 179.6212 144 Q 3.7265 7.8052 116.5363 59.0498 28.6546 178.3815 145 Y 3.8959 7.7450 120.3498 60.5603 38.7541 178.4224 146 W 3.0926 8.1597 119.7273 59.1392 28.9098 178.3069 147 A 4.0826 8.1662 121.1341 55.2965 17.8812 179.5047 148 Q 3.7729 7.9635 117.6759 59.2137 28.9102 178.1986 149 A 3.7697 7.3237 120.6756 54.8189 18.7064 179.0229 150 W 4.8179 8.4092 117.1063 55.8769 29.7053 175.7125 151 D 4.6441 7.7777 117.6681 55.4804 39.5392 172.7285 152 S 5.0442 8.1835 112.0622 56.2304 64.9929 173.7211 153 E 4.1372 8.7268 126.6458 56.1598 30.8412 175.1369 154 L 4.9331 8.4112 127.5479 53.3330 44.3880 175.4785 155 V 4.1956 8.7764 127.6812 61.0704 33.1805 174.2891 156 D 5.1191 8.8928 129.2158 54.1202 41.3390 175.6825 157 V 4.1706 8.6513 119.4442 60.9057 32.3703 178.7896 158 G 3.7219 8.7040 110.5211 45.9156 0.0000 174.4897 159 E 4.6397 8.6413 117.2446 55.5229 28.2385 175.6692 160 A 4.8741 8.8657 126.9784 51.0470 20.6454 177.9695 161 G 3.8279 8.2834 110.5254 47.0405 0.0000 175.2772 162 H 4.8353 8.9971 124.0019 55.3083 30.3643 174.8489 163 I 2.5372 7.5864 117.6257 62.1730 34.3477 170.9221 164 N 4.9195 7.3332 117.2682 51.0257 41.2997 175.5928 165 A 4.1593 8.7158 119.6973 55.5954 18.4829 179.8251 166 E 3.9667 8.2602 113.6750 59.2052 29.6095 177.7068 167 A 4.2857 7.9477 119.0515 52.4607 19.0432 177.8232 168 G 3.7635 8.9368 105.6857 45.0740 0.0000 173.4654 169 F 4.6986 8.1196 119.0987 55.0110 39.3135 175.7594 170 G 4.1751 9.2366 111.2131 45.2644 0.0000 170.5588 171 P 4.2528 0.0000 0.0000 63.6248 32.0397 176.9769 172 W 4.1929 8.4538 125.6747 58.2063 28.8424 174.3457 173 E 4.0754 8.1569 120.8181 59.4556 29.3660 178.3494 174 Y 4.1037 8.1942 119.4199 60.5022 38.8247 178.1653 175 G 2.0000 6.0887 105.9484 47.0508 0.0000 175.4217 176 L 3.3145 7.1427 121.0716 56.9434 41.5847 179.3927 177 K 3.7193 8.1372 119.7637 59.6966 32.1464 178.9391 178 R 3.7623 7.5125 118.2643 59.0843 29.8804 178.7611 179 L 3.9990 8.0062 120.1456 58.0241 42.0376 178.8782 180 A 3.9029 7.9565 120.6056 55.1651 18.1140 179.2771 181 E 3.8924 7.7405 115.5698 59.5963 30.0417 179.2782 182 F 4.4203 8.3382 120.5777 61.4732 39.4838 177.3984 183 S 3.9193 8.5040 114.3376 61.3209 62.8755 176.0608 184 E 3.9145 8.2629 122.4449 59.0840 29.0032 178.7829 185 I 3.9755 7.1471 109.4922 62.2389 37.9866 176.9444 186 L 4.3566 7.5265 120.0176 53.6917 42.3054 176.5374 187 I 3.8154 6.8288 121.0701 60.4541 37.6090 174.3120 188 P 4.2966 0.0000 0.0000 64.9891 31.2712 176.1691 189 N 4.8033 8.2503 116.3458 51.0963 39.1593 174.4632 190 R 4.1620 8.2654 121.7162 56.0943 30.3106 175.6498 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 0 G 8.25 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 *2 Q 8.50 4.27 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 3 T 8.29 3.94 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 1.25 0.00 0.00 4 T 7.83 3.94 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 5 E 8.12 4.18 0.00 2.13 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 2.37 1.97 0.00 6 I 8.17 3.67 2.03 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 1.47 0.66 0.92 0.00 0.00 7 D 8.52 4.61 0.00 2.69 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 8 L 8.11 4.02 0.00 1.85 1.73 0.96 0.81 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 9 R 8.03 3.94 0.00 2.05 2.06 0.00 3.11 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 1.71 1.76 0.00 10 L 8.30 4.03 0.00 1.61 1.45 0.74 0.87 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 11 T 8.14 4.03 4.48 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 1.25 0.00 0.00 12 E 8.28 4.11 0.00 2.16 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 2.52 2.46 0.00 13 V 7.83 3.57 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 0.92 0.00 0.00 0.92 0.00 0.00 14 S 8.23 4.76 0.00 4.25 4.15 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 15 Q 7.72 3.90 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.76 0.00 0.00 0.00 0.00 0.00 2.70 2.55 0.00 16 Q 7.64 4.62 0.00 1.77 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.64 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 17 L 8.05 4.99 0.00 1.55 1.39 0.79 0.45 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 18 T 8.20 4.80 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 1.21 0.00 0.00 *20 V 8.23 4.22 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 0.90 0.00 0.00 0.93 0.00 0.00 21 L 9.04 4.74 0.00 1.71 1.63 1.22 0.93 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 22 V 9.14 4.58 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 1.01 0.00 0.00 23 P 0.00 4.83 0.00 1.85 1.77 0.00 4.08 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.88 0.00 24 G 8.37 4.30 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 0.00 25 L 8.39 4.43 0.00 1.45 1.60 0.85 0.94 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 26 R 9.23 3.15 0.00 1.75 1.65 0.00 3.22 0.00 0.00 3.06 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.27 0.00 27 D 7.68 3.59 0.00 1.58 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 0.00 0.00 0.00 28 S 7.54 4.16 0.00 3.47 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 29 D 8.13 4.59 0.00 2.85 2.76 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 30 D 8.52 4.30 0.00 2.65 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 31 E 7.87 4.45 0.00 2.07 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 2.27 2.40 0.00 32 H 8.02 4.71 0.00 3.32 3.04 0.00 5.61 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 W 8.48 4.88 0.00 3.17 3.40 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 0.00 0.00 0.00 0.00 34 Q 6.77 3.63 0.00 1.50 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.97 0.00 0.00 0.00 0.00 0.00 1.69 1.16 0.00 35 S 7.66 4.13 0.00 4.08 3.83 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 36 H 8.46 4.14 0.00 3.52 3.66 0.00 5.62 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 37 W 8.77 4.44 0.00 3.82 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.62 4.06 0.00 2.29 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 2.35 2.46 0.00 39 R 7.86 3.98 0.00 1.94 1.92 0.00 3.17 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 40 R 7.97 3.80 0.00 1.68 1.55 0.00 3.06 0.00 0.00 2.98 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.14 0.00 41 F 7.52 4.50 0.00 1.51 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 42 P 0.00 4.57 0.00 2.08 2.11 0.00 3.76 0.00 0.00 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.87 0.00 60 W 8.47 3.87 0.00 3.52 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 61 V 8.29 3.61 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 1.11 0.00 0.00 0.99 0.00 0.00 62 L 8.40 3.90 0.00 1.92 1.82 0.90 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.09 3.88 1.13 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 0.00 0.00 64 I 7.92 3.62 1.88 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.75 0.92 0.00 0.00 65 R 8.17 3.90 0.00 2.06 1.99 0.00 3.14 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 1.65 1.84 0.00 66 R 7.90 3.90 0.00 1.91 1.99 0.00 3.14 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 1.65 1.87 0.00 67 E 8.08 4.08 0.00 2.26 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 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7.35 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 120 A 8.50 4.84 0.99 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 0.00 121 S 7.96 4.72 0.00 3.92 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 0.00 122 P 0.00 4.58 0.00 2.00 2.08 0.00 3.71 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 2.05 2.16 0.00 123 L 8.82 4.26 0.00 1.73 1.53 0.59 0.34 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 0.00 124 S 8.56 4.50 0.00 3.97 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.06 4.63 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 0.78 0.00 0.00 0.94 0.00 0.00 126 P 0.00 4.49 0.00 2.06 2.09 0.00 3.74 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 127 T 8.70 5.27 4.31 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 1.22 0.00 0.00 128 L 8.41 4.91 0.00 0.53 1.02 0.59 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 129 T 8.79 5.04 4.40 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 0.00 0.00 0.00 1.39 0.00 0.00 130 F 9.67 5.35 0.00 3.05 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 0.00 131 A 9.32 5.10 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 0.00 132 S 8.81 5.20 0.00 3.87 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 H 9.25 4.70 0.00 2.99 3.31 0.00 5.65 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 0.00 134 N 7.69 5.03 0.00 2.84 2.97 0.00 0.00 5.84 8.07 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 0.00 135 D 7.96 5.00 0.00 2.83 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 0.00 136 P 0.00 4.40 0.00 2.04 2.09 0.00 3.73 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 2.03 2.12 0.00 137 L 8.30 4.49 0.00 1.80 1.69 0.99 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 *139 S 7.79 4.57 0.00 4.13 4.07 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 0.00 140 F 8.65 4.03 0.00 3.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 T 7.86 4.06 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 1.32 0.00 0.00 142 R 7.98 3.96 0.00 2.06 2.29 0.00 3.06 0.00 0.00 2.98 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.88 0.00 143 A 8.20 4.03 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 0.00 144 Q 7.81 3.73 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.73 0.00 0.00 0.00 0.00 0.00 2.02 1.62 0.00 145 Y 7.74 3.90 0.00 2.84 2.85 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 0.00 146 W 8.16 3.09 0.00 2.87 1.74 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 0.00 147 A 8.17 4.08 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 148 Q 7.96 3.77 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 149 A 7.32 3.77 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.41 4.82 0.00 3.45 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 0.00 151 D 7.78 4.64 0.00 2.84 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 0.00 152 S 8.18 5.04 0.00 4.07 4.01 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 0.00 153 E 8.73 4.14 0.00 2.06 1.66 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 2.26 2.24 0.00 154 L 8.41 4.93 0.00 1.62 1.50 0.96 0.89 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 0.00 155 V 8.78 4.20 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.51 0.00 0.00 156 D 8.89 5.12 0.00 3.01 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 0.00 157 V 8.65 4.17 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 1.18 0.00 0.00 1.00 0.00 0.00 158 G 8.70 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 0.00 0.00 0.00 0.00 159 E 8.64 4.64 0.00 1.98 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 0.00 2.32 2.28 0.00 160 A 8.87 4.87 1.25 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 0.00 0.00 0.00 161 G 8.28 3.83 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 0.00 162 H 9.00 4.84 0.00 3.11 3.38 0.00 6.08 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 I 7.59 2.54 1.48 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.29 -0.94 0.00 0.00 164 N 7.33 4.92 0.00 2.95 2.97 0.00 0.00 5.98 7.16 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 0.00 165 A 8.72 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 0.00 166 E 8.26 3.97 0.00 2.14 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 2.35 2.40 0.00 167 A 7.95 4.29 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.94 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 0.00 0.00 0.00 169 F 8.12 4.70 0.00 2.95 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 0.00 170 G 9.24 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 0.00 0.00 0.00 0.00 171 P 0.00 4.25 0.00 2.20 2.25 0.00 3.81 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 172 W 8.45 4.19 0.00 3.66 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.16 4.08 0.00 2.16 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 2.51 2.46 0.00 174 Y 8.19 4.10 0.00 3.19 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 G 6.09 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 0.00 0.00 0.00 0.00 0.00 0.00 176 L 7.14 3.31 0.00 1.62 1.44 0.85 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 177 K 8.14 3.72 0.00 1.69 1.64 0.00 1.76 0.00 0.00 1.69 0.00 0.00 3.17 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.40 1.41 7.81 178 R 7.51 3.76 0.00 1.75 1.97 0.00 3.23 0.00 0.00 2.86 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 1.63 0.00 179 L 8.01 4.00 0.00 1.68 1.66 0.96 1.14 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 0.00 180 A 7.96 3.90 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 0.00 181 E 7.74 3.89 0.00 2.15 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 2.33 2.42 0.00 182 F 8.34 4.42 0.00 3.04 3.25 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 0.00 183 S 8.50 3.92 0.00 3.91 4.02 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 0.00 184 E 8.26 3.91 0.00 2.00 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 2.45 0.00 185 I 7.15 3.98 1.81 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 1.52 0.40 0.88 0.00 0.00 186 L 7.53 4.36 0.00 1.49 1.54 0.22 0.47 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 0.00 187 I 6.83 3.82 1.94 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 1.23 0.57 0.93 0.00 0.00 188 P 0.00 4.30 0.00 2.12 2.08 0.00 3.74 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 189 N 8.25 4.80 0.00 2.78 2.72 0.00 0.00 6.84 7.28 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 0.00 190 R 8.27 4.16 0.00 1.70 1.73 0.00 3.40 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 * Residues marked with a * may have inaccurate shift predictions.