NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 3.8851 8.2893 120.2843 55.5859 33.2665 174.4772 2 N 4.4848 7.0124 119.6966 50.1360 41.1905 173.4367 3 I 3.5742 9.1074 120.0364 64.1951 38.2149 178.9296 4 F 3.9893 8.1208 118.2829 60.5563 38.8381 177.3824 5 E 4.0107 8.7456 118.4531 59.2488 29.1661 179.0285 6 M 3.5180 7.7873 118.3326 58.6608 32.2868 178.3734 7 L 3.9270 7.8763 118.9548 57.6580 41.6952 179.5406 8 R 3.6887 8.0350 118.7751 59.3359 29.7565 178.7489 9 I 3.7677 7.3791 118.4443 64.5160 37.2455 177.8802 10 D 4.5607 8.1508 118.6950 57.0078 40.7489 177.3755 11 E 4.2020 8.7354 117.9693 56.0681 30.4428 177.1602 12 G 3.8384 8.5527 106.4271 44.5554 0.0000 171.5117 13 L 4.9244 7.9332 118.9074 53.3605 44.9280 175.5214 14 R 4.6420 8.8189 124.1727 54.5730 34.2465 175.4495 15 L 4.5445 8.6946 122.0154 54.5420 42.9580 175.6606 16 K 5.1383 7.8022 119.5073 54.1487 35.5560 175.8472 17 I 4.1964 8.1376 126.9519 62.2893 37.5814 175.0582 18 Y 5.0820 8.6973 124.1562 55.1234 41.8911 174.4581 19 K 4.4893 8.8527 120.8093 56.5664 33.0751 177.4531 20 D 4.9259 8.9105 126.3932 53.0424 41.4712 176.4947 21 T 3.7686 8.6065 107.6022 65.5226 68.8127 175.5245 22 E 3.5737 7.9355 121.2750 56.9039 29.4653 178.3239 23 G 3.6865 7.8451 106.0846 45.5096 0.0000 172.7840 24 Y 4.6485 8.0391 118.0648 57.2611 39.4673 174.7954 25 Y 4.6630 8.1500 120.9375 58.7345 39.0635 175.3793 26 T 5.0583 8.8659 119.7128 62.4407 73.7916 172.4073 27 I 4.6308 8.7572 122.0140 59.9176 42.3719 177.2036 28 G 3.8690 9.0881 115.8329 47.2739 0.0000 176.5688 29 I 4.9615 7.7961 120.2960 58.8653 36.1322 174.6252 30 G 4.0359 8.4191 112.5707 46.5677 0.0000 171.1040 31 H 4.5602 8.3485 121.1182 54.2558 29.1575 174.0430 32 L 4.2581 8.0396 129.7430 54.9541 42.0602 176.1834 33 L 4.2375 8.0343 127.9106 56.1190 42.0157 176.5961 34 T 4.4562 7.1955 110.0454 61.3598 70.1731 174.2822 35 K 3.6617 8.2101 123.3956 56.9023 32.6820 177.5232 36 S 4.2761 7.7508 113.9364 58.0955 62.6628 172.1389 37 P 4.6911 0.0000 0.0000 64.0657 32.2594 176.9870 38 S 4.2444 8.0037 114.7903 58.3984 63.7862 174.3622 39 L 3.3429 8.4411 129.3091 57.1822 41.9922 178.5918 40 N 4.2709 8.0305 115.9868 55.8629 38.3746 176.9417 41 A 3.9184 7.7685 121.8111 54.9470 18.5763 179.2364 42 A 3.8751 7.5177 118.8318 55.4000 18.4785 179.9073 43 K 3.8284 7.9653 116.9787 59.6277 32.1291 179.5541 44 S 4.0401 8.2347 113.3998 61.5487 62.1923 176.1788 45 E 4.0556 8.2570 119.9715 58.7726 29.3513 178.9991 46 L 4.1258 7.8200 120.8403 58.2741 42.3614 178.3483 47 D 4.5231 8.5969 119.3927 57.3433 40.5987 178.8343 48 K 4.1615 7.8522 117.1502 57.9235 33.4654 177.0272 48A H 4.2297 7.7823 121.9749 55.2588 30.3889 173.8909 48B P 4.2705 0.0000 0.0000 66.0455 30.8370 177.1275 49 A 4.2270 8.3576 118.8103 53.2568 18.2619 176.6653 50 I 4.1320 7.8023 114.5515 60.3991 40.1663 176.3375 51 G 4.5120 8.0505 109.0646 45.6952 0.0000 171.4090 52 R 4.4624 7.0959 111.7265 55.2396 32.3777 175.6570 53 N 4.8076 8.4336 117.0047 52.6731 37.3625 175.1964 54 T 4.0028 8.8466 114.9549 62.3257 69.4930 176.5019 55 N 4.3243 8.8707 116.7047 54.0108 35.8642 174.8406 56 G 3.9072 8.9430 106.1504 45.0284 0.0000 173.2605 57 V 4.9199 7.3870 119.0519 60.8363 33.7164 174.7621 58 I 4.8548 8.6211 121.0888 59.3081 40.7720 174.6972 59 T 4.4754 9.0162 113.0203 60.1179 70.7955 176.0320 60 K 3.9925 8.6495 122.2427 59.6540 32.0508 178.5478 61 D 4.3963 8.0359 119.0259 57.1120 40.8023 178.3282 62 E 3.9048 8.1571 118.5599 59.4355 29.5654 179.0497 63 A 4.0417 8.3499 121.1736 55.5171 18.4141 179.5859 64 E 4.2078 8.4563 116.7298 59.1568 29.5610 179.8058 65 K 4.0546 7.9993 118.9993 59.4401 32.1400 179.3794 66 L 4.0179 8.1184 119.3498 57.5437 41.4988 179.3204 67 F 4.6126 8.5323 120.6765 61.5998 39.4056 176.4594 68 N 4.4684 8.4193 116.6490 57.1509 38.6213 176.7849 69 Q 4.0791 8.0624 118.7344 59.0246 28.8429 178.3117 70 D 4.3918 8.6719 120.4661 57.3675 40.9003 179.0205 71 V 3.6617 8.4617 119.2111 65.9921 31.3725 177.5561 72 D 4.3282 8.0620 117.2454 57.3259 41.0836 178.1314 73 A 3.9543 8.1260 121.1433 54.8397 18.3148 179.4794 74 A 3.8719 7.8844 119.3624 55.3589 18.5434 180.0379 75 V 3.3559 7.7804 116.6757 66.2722 31.6547 178.5006 76 R 4.0297 8.3817 118.1562 58.8334 29.7694 179.3931 77 G 3.5157 7.8618 105.7274 47.7688 0.0000 175.4895 78 I 3.6015 7.2331 121.4715 64.2813 37.2368 178.1024 79 L 4.0227 7.4481 117.8470 57.8480 41.4567 179.3704 80 R 4.0142 7.6260 117.4105 57.6542 30.4988 176.1285 81 N 4.6263 7.6221 117.3616 52.2606 39.8640 175.6413 82 A 3.9982 8.6134 127.2995 55.0652 18.5724 179.4737 83 K 4.1500 8.4853 116.5820 59.0148 32.5503 179.2767 84 L 4.1774 7.9180 118.7981 57.4254 41.5017 178.7098 85 K 3.8799 8.2213 119.8764 59.5166 31.8841 176.8730 86 P 4.2810 0.0000 0.0000 65.4241 31.5943 178.6513 87 V 3.7704 7.7356 116.6917 66.1340 31.6820 177.1684 88 Y 4.1782 8.2985 119.4469 60.9703 38.3892 177.6210 89 D 4.4373 9.2088 119.6844 57.3294 41.1216 178.3995 90 S 4.5368 7.6375 110.6650 57.8907 63.7613 174.2303 91 L 4.4407 7.1106 123.2113 54.2515 42.5613 176.2836 92 D 4.6615 8.0960 120.2884 51.9121 42.1424 177.0557 93 A 3.8968 8.3562 121.1032 55.6766 18.0372 179.7226 94 V 3.2570 7.5195 115.8692 65.9308 31.4929 178.3299 95 R 3.7095 7.9839 117.8519 58.9206 29.7538 179.1184 96 R 3.9952 8.2181 118.2311 59.1152 29.9489 178.7873 97 A 3.9820 7.6454 119.2265 55.1775 18.4657 179.5821 98 A 3.7292 7.4146 118.9771 54.8064 18.2083 179.7204 99 L 4.1197 7.6385 118.5956 58.4989 42.3240 179.0900 100 I 3.7647 8.0922 120.0162 64.1577 36.8859 177.7907 101 N 4.2754 8.3182 118.0775 57.1082 38.6885 176.7867 102 M 3.9901 7.9035 119.4269 58.4462 31.9934 179.0126 103 V 3.4188 7.8332 118.4226 65.7557 31.4606 177.7959 104 F 4.0460 8.5592 120.0343 61.2772 39.2973 176.7332 105 Q 4.3518 8.5999 118.5052 58.8960 29.1507 177.0329 106 M 4.6293 8.8160 114.7780 53.9034 32.3059 176.6230 107 G 4.0459 8.2975 105.9865 46.1375 0.0000 174.2495 108 E 3.8752 8.8515 120.7815 59.7504 29.3027 179.6815 109 T 3.9748 7.8591 113.6231 66.4162 68.9326 176.6363 110 G 3.7717 7.9881 107.1386 47.9643 0.0000 175.8323 111 V 3.6612 8.0887 121.4375 65.4024 31.3430 177.7509 112 A 4.2641 8.2520 119.6748 54.5641 18.2276 179.2480 113 G 3.6526 7.8867 103.0827 46.4262 0.0000 174.7722 114 F 4.3456 8.5189 122.6688 56.4183 36.1606 176.3871 115 T 3.9201 7.7072 120.1765 67.1786 68.8525 175.9215 116 N 4.3644 8.0749 117.1848 56.4208 38.7884 177.3222 117 S 4.1127 8.2091 116.0293 61.7923 62.9553 176.5488 118 L 3.8751 8.0425 121.3295 57.8763 41.4611 179.3701 119 R 3.8412 7.6180 118.3784 59.9578 29.9568 178.3345 120 M 3.9396 7.9120 118.0330 58.4491 31.9692 178.7747 121 L 3.9238 8.2083 119.4604 57.8059 41.5082 179.3716 122 Q 3.9994 8.3138 119.0095 58.7043 29.0044 177.3652 123 Q 4.1986 7.4502 116.3346 54.6038 28.9753 175.6514 124 K 2.0000 7.0740 118.0163 57.0379 30.6349 177.6821 125 R 4.0059 6.8707 118.4063 53.9651 26.6536 176.2454 126 W 4.7801 7.0527 123.0780 60.1719 29.5804 177.7643 127 D 4.4887 8.1508 118.1766 56.2940 39.2636 178.3653 128 E 3.9084 8.1126 119.3019 58.9746 29.5004 178.8350 129 A 3.9726 8.4622 120.9294 55.2573 18.5958 179.4157 130 A 4.0491 8.1948 119.1791 55.4043 18.2122 179.9316 131 V 3.5309 7.8524 115.7960 66.3249 31.9660 177.7859 132 N 4.5293 8.2374 116.1133 56.3560 38.4326 177.5255 133 L 4.3116 8.4839 120.5666 57.7093 41.5219 179.1829 134 A 3.2674 7.7756 119.1173 53.5647 18.2375 178.0397 135 K 4.2653 7.4379 115.5914 56.3589 32.6091 177.4286 136 S 4.7153 7.9566 116.1698 57.4322 65.6878 175.0809 137 R 4.0376 8.5268 121.4683 59.0668 29.8196 177.9995 138 W 4.4342 8.6201 128.0062 60.8164 30.5034 177.0903 139 Y 3.4672 8.0465 117.5422 60.6741 38.3149 177.3674 140 N 4.4904 8.0710 116.1783 56.5235 38.7216 177.1368 141 Q 4.2314 8.2086 118.7446 57.9528 30.4683 177.1086 142 T 4.5404 7.5963 108.9456 57.9392 68.8409 172.1074 143 P 3.1748 0.0000 0.0000 66.5565 31.5715 178.2431 144 N 4.0948 7.7524 115.7739 55.8103 38.4984 177.2305 145 R 3.8021 7.7288 119.1784 59.3799 29.9090 178.1788 146 A 3.3918 7.9236 120.9893 54.6356 18.0974 179.3483 147 K 4.0857 8.1892 118.4518 59.8172 32.3545 179.2210 148 R 3.7882 7.7604 117.9001 59.2679 29.9739 179.2718 149 V 3.7599 8.2517 118.4029 66.2016 31.6204 178.1390 150 I 4.1358 9.1316 120.4208 64.7445 36.8349 178.4651 151 T 3.9444 8.7015 117.0307 66.8782 68.2096 176.5983 152 T 3.9474 7.8108 117.1223 66.8650 68.2860 176.7034 153 F 4.2852 7.6027 117.6435 60.3574 38.9211 177.5064 154 R 4.2026 8.0098 118.1431 59.1162 30.0473 177.7414 155 T 4.2643 8.6596 108.8873 61.2262 69.7484 175.9264 156 G 3.5207 8.2334 108.6796 45.1792 0.0000 172.3222 157 T 4.4110 7.2070 108.0404 59.5128 71.7736 173.5932 158 W 4.9312 8.3779 118.2146 56.8350 29.5272 177.8310 159 D 4.4755 8.1037 121.9085 57.9283 40.0142 178.9651 160 A 4.0197 8.1753 118.6584 54.4182 18.4297 178.0007 161 Y 4.2385 8.0779 113.9876 59.1032 39.1126 177.6895 162 K 4.4862 7.8445 118.0984 57.0541 32.9637 176.8368 163 N 4.8992 7.9483 115.9618 50.8955 39.0867 174.2731 164 L 4.3241 8.0797 121.3247 54.6245 42.5151 176.7801 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 1 M 8.29 3.89 0.00 0.51 1.21 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.81 0.00 2 N 7.01 4.48 0.00 3.10 2.84 0.00 0.00 5.65 6.92 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 3 I 9.11 3.57 1.82 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.77 0.62 0.00 0.00 4 F 8.12 3.99 0.00 3.24 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 5 E 8.75 4.01 0.00 1.67 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 2.31 0.00 6 M 7.79 3.52 0.00 2.02 1.65 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 2.32 0.00 7 L 7.88 3.93 0.00 1.97 1.49 0.16 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.03 3.69 0.00 2.17 1.89 0.00 3.12 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 1.52 1.47 0.00 9 I 7.38 3.77 2.22 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.77 1.06 0.00 0.00 10 D 8.15 4.56 0.00 2.73 2.83 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 11 E 8.74 4.20 0.00 1.91 2.14 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 2.36 2.34 0.00 12 G 8.55 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 13 L 7.93 4.92 0.00 1.46 1.45 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.82 4.64 0.00 1.99 1.72 0.00 2.97 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.60 0.00 15 L 8.69 4.54 0.00 1.61 1.88 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.80 5.14 0.00 1.75 1.69 0.00 1.83 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.61 7.81 17 I 8.14 4.20 1.88 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 1.27 0.83 0.93 0.00 0.00 18 Y 8.70 5.08 0.00 3.14 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 19 K 8.85 4.49 0.00 1.69 1.69 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.29 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.01 1.44 7.81 20 D 8.91 4.93 0.00 2.86 2.83 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 21 T 8.61 3.77 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 22 E 7.94 3.57 0.00 1.58 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 23 G 7.85 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 8.04 4.65 0.00 3.18 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 25 Y 8.15 4.66 0.00 2.97 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 26 T 8.87 5.06 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 1.21 0.00 0.00 27 I 8.76 4.63 1.90 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 1.23 1.23 0.97 0.00 0.00 28 G 9.09 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 0.00 0.00 0.00 29 I 7.80 4.96 1.25 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.52 0.25 0.00 0.00 30 G 8.42 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 H 8.35 4.56 0.00 3.35 3.50 0.00 5.78 0.00 0.00 0.00 0.00 6.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.04 4.26 0.00 1.56 1.43 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.03 4.24 0.00 1.94 1.67 0.93 0.97 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 34 T 7.20 4.46 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 1.33 0.00 0.00 35 K 8.21 3.66 0.00 1.45 1.30 0.00 1.49 0.00 0.00 1.12 0.00 0.00 2.39 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.30 0.72 7.81 36 S 7.75 4.28 0.00 3.84 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 37 P 0.00 4.69 0.00 2.30 2.22 0.00 3.89 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 38 S 8.00 4.24 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 39 L 8.44 3.34 0.00 1.38 1.52 0.64 0.62 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 40 N 8.03 4.27 0.00 2.74 2.81 0.00 0.00 7.05 7.18 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 41 A 7.77 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.52 3.88 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 43 K 7.97 3.83 0.00 1.90 1.84 0.00 1.61 0.00 0.00 1.53 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.49 7.81 44 S 8.23 4.04 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 45 E 8.26 4.06 0.00 2.09 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 2.48 2.46 0.00 46 L 7.82 4.13 0.00 1.83 1.86 0.92 1.12 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 47 D 8.60 4.52 0.00 2.67 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 48 K 7.85 4.16 0.00 1.94 1.94 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.65 1.44 7.81 48A H 7.78 4.23 0.00 3.36 3.32 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 48B P 0.00 4.27 0.00 2.19 2.16 0.00 3.00 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.86 0.00 49 A 8.36 4.23 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 0.00 0.00 0.00 0.00 0.00 0.00 50 I 7.80 4.13 2.15 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 0.92 0.96 0.00 0.00 51 G 8.05 4.51 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 0.00 0.00 0.00 52 R 7.10 4.46 0.00 1.89 1.88 0.00 3.03 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 1.72 1.64 0.00 53 N 8.43 4.81 0.00 2.73 2.83 0.00 0.00 6.95 7.54 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 54 T 8.85 4.00 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 55 N 8.87 4.32 0.00 2.91 2.98 0.00 0.00 7.07 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 8.94 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 7.39 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1.67 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.49 7.81 66 L 8.12 4.02 0.00 1.83 1.55 0.78 0.37 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 67 F 8.53 4.61 0.00 3.30 3.36 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 68 N 8.42 4.47 0.00 2.95 3.02 0.00 0.00 7.31 6.24 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 69 Q 8.06 4.08 0.00 2.50 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 70 D 8.67 4.39 0.00 3.13 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 71 V 8.46 3.66 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 0.46 0.00 0.00 0.19 0.00 0.00 72 D 8.06 4.33 0.00 2.97 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 73 A 8.13 3.95 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 74 A 7.88 3.87 1.49 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 0.00 0.00 75 V 7.78 3.36 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 0.91 0.00 0.00 0.95 0.00 0.00 76 R 8.38 4.03 0.00 2.03 1.94 0.00 3.17 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 77 G 7.86 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 I 7.23 3.60 1.71 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.57 0.39 0.00 0.00 79 L 7.45 4.02 0.00 1.69 1.69 0.88 0.79 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 80 R 7.63 4.01 0.00 1.81 2.23 0.00 3.22 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 81 N 7.62 4.63 0.00 2.96 2.64 0.00 0.00 7.01 9.11 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 82 A 8.61 4.00 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 83 K 8.49 4.15 0.00 1.83 1.89 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.52 7.81 84 L 7.92 4.18 0.00 1.82 1.70 0.93 1.00 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 85 K 8.22 3.88 0.00 2.02 1.85 0.00 1.81 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.53 1.55 7.81 86 P 0.00 4.28 0.00 2.08 2.13 0.00 3.65 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 87 V 7.74 3.77 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.02 0.00 0.00 88 Y 8.30 4.18 0.00 3.09 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 89 D 9.21 4.44 0.00 2.77 2.77 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 90 S 7.64 4.54 0.00 4.09 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 91 L 7.11 4.44 0.00 1.61 1.64 1.19 1.32 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 92 D 8.10 4.66 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 93 A 8.36 3.90 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 V 7.52 3.26 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 -0.23 0.00 0.00 0.51 0.00 0.00 95 R 7.98 3.71 0.00 1.76 1.98 0.00 2.50 0.00 0.00 2.47 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.41 0.00 96 R 8.22 4.00 0.00 1.94 2.00 0.00 2.88 0.00 0.00 2.52 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.69 0.00 97 A 7.65 3.98 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 7.41 3.73 0.27 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 0.00 0.00 99 L 7.64 4.12 0.00 2.08 2.05 1.03 1.31 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 0.00 100 I 8.09 3.76 2.02 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.83 0.89 0.00 0.00 101 N 8.32 4.28 0.00 2.89 3.05 0.00 0.00 7.19 7.20 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 0.00 102 M 7.90 3.99 0.00 1.79 2.15 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 1.97 0.00 103 V 7.83 3.42 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.91 0.00 0.00 104 F 8.56 4.05 0.00 3.13 3.24 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 0.00 105 Q 8.60 4.35 0.00 2.40 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.62 0.00 0.00 0.00 0.00 0.00 2.56 2.59 0.00 106 M 8.82 4.63 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.67 0.00 107 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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 1.21 0.00 0.00 116 N 8.07 4.36 0.00 2.75 2.86 0.00 0.00 7.01 7.62 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 0.00 117 S 8.21 4.11 0.00 4.15 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 8.04 3.88 0.00 1.70 1.73 1.02 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 119 R 7.62 3.84 0.00 2.01 2.12 0.00 3.07 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 1.60 1.67 0.00 120 M 7.91 3.94 0.00 2.03 2.20 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.51 0.00 121 L 8.21 3.92 0.00 1.70 1.75 0.11 0.64 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 0.00 122 Q 8.31 4.00 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.00 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 123 Q 7.45 4.20 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.55 0.00 0.00 0.00 0.00 0.00 2.27 2.44 0.00 124 K 7.07 2.00 0.00 1.46 1.19 0.00 1.68 0.00 0.00 1.84 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.10 1.16 7.81 125 R 6.87 4.01 0.00 1.68 1.89 0.00 3.10 0.00 0.00 3.04 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.42 0.00 126 W 7.05 4.78 0.00 3.37 3.34 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 0.00 127 D 8.15 4.49 0.00 2.99 2.98 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 0.00 128 E 8.11 3.91 0.00 1.99 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 2.38 2.35 0.00 129 A 8.46 3.97 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 0.00 130 A 8.19 4.05 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 0.00 131 V 7.85 3.53 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 0.87 0.00 0.00 0.99 0.00 0.00 132 N 8.24 4.53 0.00 3.09 2.92 0.00 0.00 7.07 6.22 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 0.00 133 L 8.48 4.31 0.00 1.87 2.16 1.01 0.84 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 0.00 134 A 7.78 3.27 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 0.00 135 K 7.44 4.27 0.00 1.82 1.85 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.54 7.81 136 S 7.96 4.72 0.00 4.39 4.34 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 0.00 137 R 8.53 4.04 0.00 1.98 2.09 0.00 3.23 0.00 0.00 3.31 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.75 0.00 138 W 8.62 4.43 0.00 3.61 3.55 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 0.00 139 Y 8.05 3.47 0.00 3.07 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 0.00 140 N 8.07 4.49 0.00 2.83 2.92 0.00 0.00 7.13 7.85 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 0.00 141 Q 8.21 4.23 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.25 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 142 T 7.60 4.54 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 1.25 0.00 0.00 143 P 0.00 3.17 0.00 1.93 1.79 0.00 3.52 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.87 0.00 144 N 7.75 4.09 0.00 2.64 2.79 0.00 0.00 6.71 7.66 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 0.00 145 R 7.73 3.80 0.00 1.87 1.99 0.00 3.29 0.00 0.00 3.50 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.81 0.00 146 A 7.92 3.39 -0.03 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 0.00 0.00 147 K 8.19 4.09 0.00 2.00 1.78 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.70 7.81 148 R 7.76 3.79 0.00 2.02 1.52 0.00 2.21 0.00 0.00 2.69 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.63 0.00 149 V 8.25 3.76 2.54 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 1.23 0.00 0.00 1.26 0.00 0.00 150 I 9.13 4.14 2.10 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.19 1.05 0.00 0.00 151 T 8.70 3.94 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 1.22 0.00 0.00 152 T 7.81 3.95 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 0.70 0.00 0.00 153 F 7.60 4.29 0.00 3.26 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 0.00 154 R 8.01 4.20 0.00 2.02 2.12 0.00 3.31 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.77 0.00 155 T 8.66 4.26 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 1.24 0.00 0.00 156 G 8.23 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 T 7.21 4.41 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 1.16 0.00 0.00 158 W 8.38 4.93 0.00 3.42 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 0.00 159 D 8.10 4.48 0.00 2.67 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 0.00 160 A 8.18 4.02 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 Y 8.08 4.24 0.00 3.27 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 0.00 162 K 7.84 4.49 0.00 1.78 1.91 0.00 1.78 0.00 0.00 1.78 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.56 7.81 163 N 7.95 4.90 0.00 2.66 2.72 0.00 0.00 6.72 7.85 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 0.00 164 L 8.08 4.32 0.00 1.56 1.47 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00