NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 L 4.4880 8.1844 122.7555 54.9391 43.4186 175.2368 18 L 4.5346 8.9276 129.3224 52.4900 44.2702 169.5697 19 V 4.6168 9.8108 128.3131 61.3544 33.9286 174.2520 20 V 4.7673 8.5713 121.3363 59.4581 35.1272 174.3627 21 D 5.2940 8.8641 123.1881 52.7924 43.7483 174.9871 22 V 5.2224 8.9488 118.4009 58.0150 36.7803 175.5435 23 T 4.9906 8.4255 110.8468 60.7275 69.4071 173.3529 24 P 4.1716 0.0000 0.0000 66.3395 31.1926 179.0483 25 S 4.3024 8.2340 112.9860 61.1498 63.0439 176.0471 26 F 4.0860 8.7946 123.5274 61.2983 38.9475 177.0075 27 A 4.1549 8.4647 120.4991 55.4268 18.0860 179.7560 28 S 4.0892 7.5958 111.2360 61.0107 63.5109 175.9320 29 L 4.3274 8.1782 121.3601 55.2840 41.8054 176.8192 30 W 4.4225 7.6693 125.9092 58.7401 32.9426 176.8741 31 L 3.9283 8.5704 120.3779 58.1497 41.8836 179.0939 32 V 3.5583 7.9528 117.3303 65.4095 31.5440 175.2371 33 P 3.8465 0.0000 0.0000 64.7147 31.3043 176.6251 34 N 4.5227 7.1167 113.4898 53.3599 40.1093 176.7220 35 I 3.6095 7.7299 118.5991 63.5889 37.8228 177.1370 36 N 4.2856 8.2032 117.8405 56.2429 36.8429 176.4784 37 D 4.3075 8.2009 120.1147 56.9501 41.2696 177.9058 38 F 3.2460 7.4704 120.6548 61.3856 38.9338 176.7539 39 H 4.0125 8.0190 115.6634 58.4316 28.1605 177.5340 40 Q 3.9042 7.8637 120.9834 59.2285 28.9541 178.4317 41 R 3.9609 7.3528 117.1447 58.3014 31.8044 177.1951 42 H 4.7366 7.5928 115.9148 52.7791 28.9484 172.3060 43 P 4.4093 0.0000 0.0000 64.8638 31.6957 178.3701 44 N 4.3878 8.0253 114.3100 54.3516 38.7476 174.6937 45 I 4.2885 7.2363 119.4146 59.5222 37.4531 175.6044 46 R 4.3307 8.2576 124.9567 55.9107 31.5748 175.9201 47 V 4.7982 8.2558 121.0585 61.0190 34.4759 174.3014 48 K 4.4293 8.9530 129.6102 54.9599 33.9416 174.8900 49 I 4.6087 8.3661 128.9209 60.2240 38.0211 175.3774 50 L 4.7993 9.1460 128.2022 53.5563 44.0984 175.8718 51 T 5.7383 7.3990 109.7181 59.2224 72.0031 173.2790 52 G 4.1736 8.0304 107.6871 46.1040 0.0000 173.2742 53 D 4.8474 8.8546 118.6505 52.6954 40.8054 175.7639 54 G 4.0998 7.8054 109.4392 44.3053 0.0000 173.6103 55 A 4.0381 8.4042 121.7451 52.3419 18.9466 177.3081 56 V 4.1029 7.9685 120.2070 61.1446 33.3127 176.1517 *61 G 4.0542 8.4756 114.0544 45.6029 0.0000 173.8298 62 E 4.0435 8.3396 119.6522 58.5580 29.9327 176.9817 63 S 4.6760 7.7742 112.8522 57.5093 64.4479 173.4083 64 D 4.6026 8.5234 122.3094 55.6845 41.8869 176.8224 65 L 4.5090 7.3815 119.0083 54.0586 45.6298 173.7691 66 H 5.4900 9.3140 122.4310 53.9591 32.4206 172.8244 67 V 4.7936 8.7498 120.9313 61.2978 33.9509 174.6876 68 R 4.7523 8.8941 125.8157 54.5190 34.6745 173.8648 69 C 4.7377 8.6411 121.7558 58.0403 32.5613 172.7373 70 L 4.9423 8.8392 125.5451 51.9098 45.9918 174.3377 71 P 3.9006 0.0000 0.0000 62.7939 31.9372 176.2710 72 L 4.3889 8.2947 124.1290 55.3823 41.8439 176.7270 73 S 4.4193 9.1578 117.3256 57.6302 65.3888 174.2312 74 T 4.2662 8.1455 113.9455 62.3858 69.3629 174.7604 75 H 4.6120 7.6688 119.1573 55.8025 28.7930 174.1916 76 Y 4.7860 7.2369 116.4798 56.3286 39.8862 175.3596 77 E 4.2897 8.0426 120.9194 55.6623 32.3749 174.9875 78 Y 3.8316 8.1951 122.1632 59.3563 35.4968 169.8561 79 S 5.9107 7.9839 112.3468 56.0987 66.7424 173.7110 80 Q 4.7090 8.3649 119.8631 54.1544 33.0646 174.0294 81 L 3.4006 8.7246 126.6017 55.4267 42.1431 176.1765 82 L 4.1724 8.8830 130.2428 57.2452 42.3187 176.3028 83 C 4.6689 7.3093 111.2392 56.8275 32.4401 172.6921 84 E 4.5292 8.7434 120.5423 56.5448 29.9619 176.0010 85 E 4.6302 9.4932 124.5550 56.0370 31.1712 175.1665 86 T 5.0131 8.6262 123.7312 61.8250 71.6370 173.0241 87 L 4.8288 8.9914 127.2859 53.4450 43.8911 175.7426 88 L 5.0054 8.6095 122.9362 52.7687 44.7726 175.5547 89 L 4.6080 8.6114 125.3215 54.9116 43.0732 175.6214 90 I 5.0024 9.0779 120.6148 59.3923 40.8889 174.7380 91 G 4.3328 8.7667 110.1117 44.6685 0.0000 171.5011 92 N 4.7446 8.5728 118.0066 53.4330 39.3776 175.7611 93 T 4.0015 8.2947 113.4454 64.0824 69.0353 175.1115 94 N 4.5153 8.2167 118.9386 54.8787 38.8880 175.6019 95 L 4.0911 7.4791 119.2606 53.7266 42.1224 175.2975 96 P 4.5719 0.0000 0.0000 61.8210 32.3331 175.7104 97 K 4.0967 8.2540 118.7654 56.4350 33.1243 176.1700 *101 N 4.8048 8.4318 121.1517 52.2496 39.3242 174.9265 102 Q 4.5654 7.6437 112.9487 54.5229 30.0525 176.4403 103 A 4.0943 8.1124 122.5217 54.7557 18.8883 180.1506 104 I 4.0541 8.0385 117.3327 64.5194 36.9265 178.2571 105 S 4.1121 7.8744 113.9858 61.3961 62.7973 175.9638 106 H 4.1702 7.6430 119.0899 56.9705 28.7122 174.8072 107 Y 4.7517 6.9622 118.2636 55.3404 39.5996 173.8232 108 P 4.4589 0.0000 0.0000 62.9926 33.0323 175.0170 109 F 4.9173 8.5848 122.1857 56.1878 40.6705 175.0656 110 I 4.7349 9.0463 125.8892 60.0409 37.8942 174.0919 111 P 4.8916 0.0000 0.0000 62.7771 33.1698 174.9226 112 Q 4.9095 8.7665 124.3331 54.6767 30.3124 175.8430 113 T 4.1607 8.7018 118.3137 64.1314 68.9681 176.2087 114 T 4.0582 7.9345 111.5791 63.3971 70.0512 174.8313 115 R 4.7387 7.6647 120.7986 53.8778 30.2786 174.6926 116 P 4.3804 0.0000 0.0000 65.7263 32.1856 178.2329 117 Q 4.1769 8.1316 116.9736 58.6717 28.3673 178.1582 118 L 3.8924 7.6191 121.2851 57.9496 41.7106 179.5979 119 W 4.6531 8.0822 117.9770 59.7749 28.6399 178.3263 120 E 4.2171 8.5419 118.3286 59.5177 28.5513 179.0282 121 Q 4.0470 8.8831 119.8777 59.1533 28.9559 177.8030 122 F 4.1198 8.5332 120.9283 61.4281 39.5217 176.7734 123 K 4.1995 8.9830 118.0235 59.3048 31.6818 177.9492 124 Q 4.3302 7.7559 117.2179 57.8702 28.9809 177.2575 125 E 4.2159 8.3373 118.0838 59.6804 29.9185 176.9676 126 N 4.2635 7.9121 116.6811 52.5068 42.3163 173.5014 127 D 4.3031 8.4379 124.5144 54.3791 41.3277 172.9777 *132 I 3.3002 7.9537 118.3119 61.2080 38.1836 175.0884 133 T 4.4384 7.4205 120.7296 61.8996 70.9548 172.8612 134 Y 4.7210 8.3516 123.5061 56.5877 39.2434 175.1462 135 H 4.5032 9.0331 123.6575 56.3808 31.0683 176.0230 136 S 4.2605 8.3871 117.1046 58.8301 63.4075 173.8883 137 V 4.0932 6.8838 121.2759 60.9340 33.3958 174.7653 138 G 4.0121 8.0618 115.1794 43.6150 0.0000 172.3920 139 F 4.9521 8.2741 118.5056 55.1790 42.6713 176.2594 140 E 3.9279 8.9060 124.4894 58.5782 30.1964 177.1601 141 H 4.9736 7.6393 114.2501 52.8428 33.8721 173.9385 142 F 4.4271 8.7418 122.8475 61.2668 38.8182 177.7545 143 Y 4.2126 8.3452 116.5292 59.8285 37.7519 178.2030 144 L 3.3587 7.1076 120.3815 57.2630 41.8143 178.8017 145 A 3.7156 7.5246 120.3167 55.1777 18.2776 179.2333 146 C 4.0183 8.3202 117.4120 62.6126 31.4419 175.4289 147 E 3.8626 7.8115 119.4941 59.2212 29.4819 178.2780 148 A 4.0664 7.9612 121.1389 54.9885 18.1221 179.8785 149 V 3.5529 7.5016 116.0638 65.9062 31.9124 180.0743 150 R 4.0598 7.7153 118.6017 55.4519 30.3068 176.5071 *152 E 4.2043 8.1211 115.4094 56.0959 30.8635 176.2246 153 K 4.2044 8.5566 117.5873 56.1209 32.9924 178.1951 154 G 3.8562 7.1131 104.1611 45.7322 0.0000 171.3494 155 L 4.9897 7.9932 119.9173 53.5346 44.3559 175.7516 156 A 5.3214 8.8442 121.9406 50.5108 23.4528 174.6795 157 L 4.8922 8.2224 118.5825 52.9024 43.6681 176.1882 158 L 4.3651 8.4991 125.3869 52.0774 45.5912 174.0674 159 P 4.4000 0.0000 0.0000 62.4926 31.9861 175.6849 160 D 4.4399 9.1369 123.8362 56.6100 39.0366 180.7005 161 F 4.5380 7.7697 112.9624 56.1552 37.1672 175.8485 *163 A 4.2209 8.0694 125.8804 53.0976 20.6032 179.4322 164 Q 3.9316 7.8969 116.8418 59.6800 28.9443 178.6959 165 F 3.9910 8.1693 120.8768 61.2749 39.4542 177.1516 166 S 4.1135 8.1028 114.4272 61.4543 62.6262 176.6544 167 I 3.8463 8.1200 124.2725 63.7140 36.6788 177.8514 168 L 3.7918 7.5842 120.1829 58.1235 41.9081 178.5784 169 R 4.1342 7.5815 112.4286 56.0490 29.7463 176.8599 170 G 3.8505 7.6485 107.6172 46.2847 0.0000 174.6123 171 D 4.4731 8.1534 122.1961 56.2505 40.9806 176.1563 172 I 4.8711 7.2653 110.7092 59.4270 41.7683 173.7946 173 Q 4.6781 8.9836 119.4531 54.4611 32.2626 173.7682 174 H 4.9329 8.7753 120.8248 55.9756 31.0297 174.3053 175 I 4.0362 9.2791 127.9054 60.2989 38.4357 176.2949 176 G 3.7589 9.1851 115.9405 46.5505 0.0000 172.1340 177 N 3.8994 8.1115 113.2818 53.7138 37.8313 173.3151 178 L 4.6319 7.7139 115.7305 53.7794 43.0138 176.2083 179 K 5.2017 8.5398 121.0334 55.5432 36.6904 175.0823 180 L 4.6596 8.7061 121.6003 53.8978 45.5922 174.4614 181 H 5.1241 8.9265 124.1071 54.9877 28.7655 175.3018 182 S 4.5522 8.1113 118.7690 58.2209 63.9567 175.8166 183 G 4.0010 8.7718 108.7460 45.4146 0.0000 171.9657 184 Y 5.0336 8.0700 116.9914 56.2761 41.2481 174.7290 185 G 4.4445 9.2686 107.1695 45.0197 0.0000 171.0671 186 Y 4.9079 8.9731 118.9294 56.7475 39.6320 174.4993 187 Y 4.9764 9.0646 122.6821 56.0968 41.3577 174.9956 188 V 4.5368 8.6701 123.7669 62.0051 33.3718 174.7469 189 V 4.9384 8.9502 127.8339 61.2244 34.1922 173.9354 190 I 4.7396 8.4722 128.8407 58.5305 39.4604 174.1771 191 P 4.2396 0.0000 0.0000 62.4969 32.1587 176.7174 192 N 3.5911 8.6283 120.3018 55.8257 36.8691 176.9892 193 F 4.3380 8.1942 111.6814 58.4849 38.4406 175.7874 194 R 3.9294 7.2652 120.0953 56.0289 30.1416 178.1155 195 L 4.0446 7.6117 119.0514 57.0103 41.6614 177.9805 196 T 4.4922 7.5854 106.1932 60.9408 69.3536 174.2075 197 S 4.2265 7.9486 118.2201 58.0990 63.3479 174.4157 198 R 3.8942 8.6344 129.5018 59.4431 30.0671 178.3668 199 K 3.9408 8.0976 118.1399 60.1646 32.2743 178.9514 200 V 3.5762 7.7495 118.6242 65.7172 31.5223 177.7283 201 A 4.0765 8.2183 120.5077 55.0798 18.1671 179.6799 202 L 4.0551 8.3521 117.9276 57.9386 41.6920 179.4685 203 F 4.1916 8.5386 120.6929 61.4533 39.2392 176.5769 204 H 4.2436 8.7412 118.1322 59.6362 29.6525 176.9104 205 D 4.3279 8.5049 120.8567 56.9919 40.6209 178.6517 206 W 4.2162 8.4689 128.8407 60.4657 30.7618 177.8463 207 L 3.3876 8.1311 119.2487 57.6053 41.0465 179.6750 208 K 3.7550 8.1325 118.4004 59.5860 31.7940 178.7840 209 D 4.3219 7.9614 117.9749 57.6787 40.8722 179.0567 210 K 4.0916 7.5429 116.9180 57.8877 32.3060 178.2830 211 L 4.2583 7.3204 115.9607 53.9504 42.7677 176.6005 212 T 3.9400 7.6444 121.0360 64.0453 68.4624 173.4204 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 17 L 8.18 4.49 0.00 1.65 1.65 0.94 0.59 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 18 L 8.93 4.53 0.00 1.73 1.37 0.79 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 19 V 9.81 4.62 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 0.95 0.00 0.00 0.90 0.00 0.00 20 V 8.57 4.77 1.95 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 -0.07 0.00 0.00 0.80 0.00 0.00 21 D 8.86 5.29 0.00 2.65 2.48 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 22 V 8.95 5.22 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 0.74 0.00 0.00 1.25 0.00 0.00 23 T 8.43 4.99 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 1.42 0.00 0.00 24 P 0.00 4.17 0.00 2.21 2.05 0.00 3.68 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.17 0.00 25 S 8.23 4.30 0.00 4.19 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 26 F 8.79 4.09 0.00 3.36 3.35 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 0.00 0.00 0.00 0.00 27 A 8.46 4.15 1.47 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 0.00 0.00 28 S 7.60 4.09 0.00 3.97 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 29 L 8.18 4.33 0.00 1.71 1.74 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 30 W 7.67 4.42 0.00 3.11 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 31 L 8.57 3.93 0.00 2.22 2.00 1.58 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 32 V 7.95 3.56 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 0.75 0.00 0.00 0.98 0.00 0.00 33 P 0.00 3.85 0.00 1.64 1.13 0.00 3.52 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.89 0.00 34 N 7.12 4.52 0.00 1.44 2.25 0.00 0.00 6.55 8.79 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 35 I 7.73 3.61 2.05 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 1.45 1.15 0.99 0.00 0.00 36 N 8.20 4.29 0.00 2.92 3.03 0.00 0.00 5.93 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 37 D 8.20 4.31 0.00 2.96 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 F 7.47 3.25 0.00 1.51 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 0.00 0.00 0.00 0.00 39 H 8.02 4.01 0.00 3.28 3.23 0.00 5.68 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 40 Q 7.86 3.90 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.95 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 41 R 7.35 3.96 0.00 1.60 1.35 0.00 3.25 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.78 0.00 42 H 7.59 4.74 0.00 2.21 2.89 0.00 5.62 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.41 0.00 2.11 2.11 0.00 3.26 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.88 0.00 44 N 8.03 4.39 0.00 2.70 2.89 0.00 0.00 6.83 7.45 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 45 I 7.24 4.29 2.01 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 1.34 0.55 1.07 0.00 0.00 46 R 8.26 4.33 0.00 1.77 1.83 0.00 3.05 0.00 0.00 3.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 47 V 8.26 4.80 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 0.59 0.00 0.00 0.89 0.00 0.00 48 K 8.95 4.43 0.00 1.82 1.61 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.38 7.81 49 I 8.37 4.61 1.89 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 1.37 0.71 0.98 0.00 0.00 50 L 9.15 4.80 0.00 1.64 1.58 0.92 0.43 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 51 T 7.40 5.74 4.26 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 1.21 0.00 0.00 52 G 8.03 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 0.00 0.00 0.00 53 D 8.85 4.85 0.00 2.79 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 54 G 7.81 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 55 A 8.40 4.04 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 56 V 7.97 4.10 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 0.54 0.00 0.00 0.76 0.00 0.00 *61 G 8.48 4.05 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 62 E 8.34 4.04 0.00 1.96 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 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0.00 1.80 1.67 0.00 3.59 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 1.85 1.33 0.00 72 L 8.29 4.39 0.00 1.57 1.70 0.97 0.80 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 73 S 9.16 4.42 0.00 3.41 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 74 T 8.15 4.27 4.06 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 1.17 0.00 0.00 75 H 7.67 4.61 0.00 2.82 3.20 0.00 5.82 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 7.24 4.79 0.00 2.72 2.55 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 77 E 8.04 4.29 0.00 1.84 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.23 0.00 78 Y 8.20 3.83 0.00 3.25 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 79 S 7.98 5.91 0.00 4.07 3.90 0.00 0.00 0.00 0.00 0.00 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0.00 2.22 2.10 0.00 3.86 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 2.10 2.03 0.00 97 K 8.25 4.10 0.00 1.89 1.86 0.00 1.61 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.44 7.81 *101 N 8.43 4.80 0.00 2.90 3.01 0.00 0.00 5.95 7.39 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 0.00 102 Q 7.64 4.57 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 6.95 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 103 A 8.11 4.09 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 0.00 104 I 8.04 4.05 2.08 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.88 1.28 0.00 0.00 105 S 7.87 4.11 0.00 3.89 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 0.00 106 H 7.64 4.17 0.00 2.81 2.88 0.00 5.65 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 6.96 4.75 0.00 3.20 2.87 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 0.30 0.00 0.00 0.00 0.00 0.00 0.00 145 A 7.52 3.72 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 0.00 146 C 8.32 4.02 0.00 3.09 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 0.00 147 E 7.81 3.86 0.00 1.93 1.90 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 2.26 2.29 0.00 148 A 7.96 4.07 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 0.00 149 V 7.50 3.55 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 0.83 0.00 0.00 1.07 0.00 0.00 150 R 7.72 4.06 0.00 1.98 1.94 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 1.84 1.80 0.00 *152 E 8.12 4.20 0.00 1.95 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 2.20 2.32 0.00 153 K 8.56 4.20 0.00 1.82 1.43 0.00 1.97 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.56 7.81 154 G 7.11 3.86 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 0.00 0.00 0.00 155 L 7.99 4.99 0.00 1.55 1.59 1.03 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 156 A 8.84 5.32 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 0.00 157 L 8.22 4.89 0.00 1.03 1.28 -0.16 0.47 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 0.00 158 L 8.50 4.37 0.00 1.61 1.26 0.81 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 159 P 0.00 4.40 0.00 1.00 1.55 0.00 2.74 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.55 0.00 160 D 9.14 4.44 0.00 2.79 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 0.00 161 F 7.77 4.54 0.00 2.90 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 *163 A 8.07 4.22 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 Q 7.90 3.93 0.00 2.30 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.76 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 165 F 8.17 3.99 0.00 3.12 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 0.00 166 S 8.10 4.11 0.00 4.04 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 0.00 167 I 8.12 3.85 1.96 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.16 0.87 0.00 0.00 168 L 7.58 3.79 0.00 1.53 1.36 0.84 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 169 R 7.58 4.13 0.00 1.81 1.47 0.00 3.17 0.00 0.00 3.30 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 170 G 7.65 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 D 8.15 4.47 0.00 2.80 2.72 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 0.00 172 I 7.27 4.87 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.82 0.88 0.00 0.00 173 Q 8.98 4.68 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 7.02 0.00 0.00 0.00 0.00 0.00 2.45 2.24 0.00 174 H 8.78 4.93 0.00 3.13 3.22 0.00 5.73 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 I 9.28 4.04 1.90 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.04 0.95 0.00 0.00 176 G 9.19 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 0.00 177 N 8.11 3.90 0.00 2.73 2.82 0.00 0.00 7.23 7.78 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 0.00 178 L 7.71 4.63 0.00 1.99 1.84 1.13 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 179 K 8.54 5.20 0.00 1.74 1.75 0.00 1.56 0.00 0.00 1.51 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.38 7.81 180 L 8.71 4.66 0.00 1.85 1.49 1.08 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 181 H 8.93 5.12 0.00 3.10 3.31 0.00 5.94 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 S 8.11 4.55 0.00 3.96 4.03 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 0.00 183 G 8.77 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 0.00 0.00 0.00 184 Y 8.07 5.03 0.00 3.14 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 0.00 185 G 9.27 4.44 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 0.00 186 Y 8.97 4.91 0.00 2.81 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 Y 9.06 4.98 0.00 2.76 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 0.00 188 V 8.67 4.54 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 0.66 0.00 0.00 0.85 0.00 0.00 189 V 8.95 4.94 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.90 0.00 0.00 190 I 8.47 4.74 1.88 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 1.19 0.77 0.80 0.00 0.00 191 P 0.00 4.24 0.00 1.84 2.10 0.00 3.62 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 192 N 8.63 3.59 0.00 2.68 1.98 0.00 0.00 6.01 8.12 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 0.00 193 F 8.19 4.34 0.00 3.15 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 0.00 194 R 7.27 3.93 0.00 1.56 1.67 0.00 2.96 0.00 0.00 2.42 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.37 0.00 195 L 7.61 4.04 0.00 1.79 1.73 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 196 T 7.59 4.49 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 1.22 0.00 0.00 197 S 7.95 4.23 0.00 3.83 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 0.00 198 R 8.63 3.89 0.00 1.97 1.92 0.00 3.31 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.77 0.00 199 K 8.10 3.94 0.00 2.07 2.10 0.00 1.56 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.49 7.81 200 V 7.75 3.58 2.19 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 1.11 0.00 0.00 0.84 0.00 0.00 201 A 8.22 4.08 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 0.00 202 L 8.35 4.06 0.00 2.00 1.77 0.82 1.23 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 0.00 203 F 8.54 4.19 0.00 2.92 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 0.00 204 H 8.74 4.24 0.00 3.41 3.47 0.00 5.66 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 0.00 205 D 8.50 4.33 0.00 3.01 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 0.00 206 W 8.47 4.22 0.00 3.72 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 0.00 207 L 8.13 3.39 0.00 1.77 1.48 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 208 K 8.13 3.75 0.00 1.85 1.76 0.00 1.58 0.00 0.00 1.53 0.00 0.00 2.34 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.36 1.55 7.81 209 D 7.96 4.32 0.00 2.70 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 0.00 210 K 7.54 4.09 0.00 1.47 1.91 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.83 0.72 7.81 211 L 7.32 4.26 0.00 1.19 1.06 -0.39 -0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 212 T 7.64 3.94 4.16 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 1.14 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.