NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4920 8.3044 120.3334 54.7960 32.6753 174.8222 2 F 4.2084 8.7812 127.0079 57.4826 40.1206 172.9979 3 K 4.0042 7.3228 125.9654 53.5693 36.3464 173.9510 4 P 4.3410 0.0000 0.0000 62.4191 32.8168 175.6997 5 H 4.3341 8.8937 119.2675 56.0112 29.9284 174.4429 6 V 5.1026 8.6011 123.2222 61.6636 33.4702 174.5610 7 T 5.3898 9.7348 117.6111 60.1254 72.6284 173.0228 8 V 5.4526 9.0814 114.2181 60.2473 36.4029 174.5888 9 A 5.1652 9.4656 122.7048 51.3916 23.0857 175.0351 10 C 5.3993 8.7188 117.1067 58.0011 31.6282 174.3073 11 V 4.0622 9.2150 124.6533 62.0859 32.2401 174.7201 12 V 4.9238 8.3803 129.1393 61.6013 33.4786 173.6760 13 H 5.2371 9.4773 128.0528 54.3709 32.9326 172.1139 14 A 4.5417 8.8919 124.6091 51.4978 22.9212 175.9318 15 E 3.4585 9.4216 120.1203 57.5894 27.0473 175.6991 16 G 3.8696 7.8315 101.2173 45.9642 0.0000 172.4935 17 K 4.9756 7.8969 118.5128 54.2515 36.1539 174.9745 18 F 5.2479 9.5286 119.9053 55.4292 42.3400 174.5676 19 L 3.4014 9.1279 127.6560 54.6819 42.1892 176.4776 20 V 4.8124 8.3753 125.0667 60.0563 35.2652 174.8558 21 V 4.7696 9.1142 115.0162 59.6898 35.9712 174.0186 22 E 3.7532 8.6017 125.2323 54.1787 31.1614 174.1784 23 E 4.5848 8.6960 128.0732 54.7703 32.9454 175.1259 24 T 5.2826 7.8715 123.8907 61.6885 67.5858 172.3118 25 I 3.9048 7.9192 123.8856 60.1852 38.6138 175.2414 26 N 3.8530 9.7242 120.2944 55.1367 36.2714 174.3663 27 G 4.0894 8.3854 111.6827 44.6948 0.0000 171.0471 28 K 4.6066 7.5865 120.3631 54.4328 34.7284 175.0314 29 A 4.8212 8.5312 128.9010 51.0188 19.5988 176.4117 30 L 5.1088 8.9968 122.4871 53.0607 45.9304 176.0668 31 W 5.3556 8.8356 121.2469 54.8304 32.4461 174.3248 32 N 5.0636 8.4246 118.2213 52.6243 41.8263 173.6227 33 Q 4.4428 8.5491 121.5558 54.9894 30.6085 173.8752 34 P 4.6767 0.0000 0.0000 63.7203 32.2020 175.1306 35 A 4.9082 8.5720 124.9890 51.4515 22.9051 175.8366 36 G 4.4796 8.0398 103.9316 47.1507 0.0000 171.8186 37 H 5.2668 9.2062 117.0697 54.7402 29.6949 175.7220 38 L 4.2722 8.8494 125.1784 55.5475 42.7118 175.7393 39 E 4.7831 8.7253 122.0237 53.6766 33.1997 175.4388 40 A 3.9927 8.4752 122.0067 54.2656 18.6441 177.4802 41 D 5.4706 9.0814 118.8337 55.0150 38.5084 173.6239 42 E 5.1520 7.9864 114.7905 53.9777 32.8079 175.5171 43 T 3.6437 9.3925 116.2942 61.2597 69.3480 175.2410 44 L 3.8115 8.2200 127.3284 58.3812 41.6983 180.5013 45 V 3.0912 7.4478 111.2209 64.2280 31.4916 178.1372 46 E 3.8699 8.0551 117.6033 59.5089 29.3036 179.2077 47 A 4.1121 8.2790 120.6863 55.0111 18.4462 179.4256 48 A 3.9025 7.6804 118.6412 55.1971 18.4051 179.6332 49 A 3.9402 7.9320 119.1404 55.2986 18.4121 179.7778 50 R 3.9373 8.3644 117.4816 59.7835 30.2860 178.5578 51 E 3.9819 8.7346 118.7067 59.2043 29.3686 178.7964 52 L 3.9413 8.0529 120.4569 58.1074 42.0150 178.9409 53 W 4.3150 8.2545 129.0619 60.2534 30.8184 177.8554 54 E 4.0130 9.3681 118.7860 58.6889 28.6210 178.4614 55 E 4.4390 8.0215 116.8365 56.4118 31.3492 176.7329 56 T 4.2879 8.0854 107.6581 60.1743 70.6937 175.2175 57 G 3.4330 8.3874 109.3471 46.4100 0.0000 173.1342 58 I 4.4469 7.7159 112.5526 58.7553 39.7065 174.5855 59 S 4.9241 8.4680 116.1210 57.0623 62.9373 173.1290 60 A 4.5825 8.2670 128.5078 51.2538 21.7137 174.6480 61 Q 4.5060 8.4520 122.4242 53.3787 30.5875 173.7605 62 P 4.3429 0.0000 0.0000 63.8716 31.9819 175.8270 63 Q 4.3686 8.7763 121.7927 58.0183 29.6705 175.8505 64 H 5.1979 8.1302 113.9616 53.8159 33.6746 172.2073 65 F 4.9018 9.6680 123.7826 57.8449 40.0420 176.4036 66 I 3.6150 8.3778 128.1068 62.5226 37.4934 176.4836 67 R 3.8523 5.8400 122.9544 56.1160 32.8826 171.9089 68 M 4.7374 8.2588 122.9324 53.9911 34.5702 174.4713 69 H 4.8824 8.9389 122.6630 54.0778 31.5826 172.6295 70 Q 5.2467 8.7328 125.2765 54.6211 30.3469 174.3495 71 W 5.1671 9.1284 121.9718 55.9246 32.3751 173.2109 72 I 4.5705 8.3055 120.2287 59.1511 39.2232 175.8978 73 A 4.0401 7.8499 130.3320 50.7911 19.1270 176.2769 74 P 4.2576 0.0000 0.0000 66.0888 31.4599 177.9758 75 D 4.3131 7.9374 115.8542 55.8305 41.1752 177.3510 76 K 4.0559 8.2112 118.4943 55.6827 32.4076 175.9026 77 T 3.8822 7.4387 115.8318 63.3288 69.6131 171.5623 78 P 4.7996 0.0000 0.0000 62.0852 32.9865 174.8629 79 F 5.3763 9.4243 124.3904 55.4685 42.4462 174.8984 80 L 5.0484 9.5130 122.6009 53.2835 44.2839 175.5491 81 R 5.3277 8.9712 126.1199 53.8721 32.2226 174.7551 82 F 4.7799 9.4559 127.1838 56.3242 40.6466 174.6597 83 L 5.2022 8.7083 126.9374 53.4254 44.0023 175.2831 84 F 5.5313 9.7527 124.3641 55.7036 43.2770 173.8086 85 A 5.5034 9.2159 122.2547 50.5404 21.9063 175.8311 86 I 4.9657 9.2674 122.1093 59.7237 41.7006 174.0358 87 E 5.1873 8.8173 125.5127 54.8124 30.9963 175.4813 88 L 4.6518 8.5158 125.1180 52.8242 43.1771 176.6849 89 E 4.0388 9.0098 123.2697 59.0293 29.7540 177.0852 90 Q 4.5989 7.4231 113.9655 53.6016 32.9121 174.5157 91 I 2.8253 8.4313 122.4265 61.1408 37.3153 175.6825 92 C 4.9026 8.0349 118.9988 55.0916 32.4797 171.8908 93 P 4.4793 0.0000 0.0000 63.4743 31.4867 175.7656 94 T 4.8528 7.8409 113.7369 60.9042 70.9243 172.9879 95 Q 4.3242 8.9734 124.3445 54.6640 33.0299 171.6079 96 P 4.3264 0.0000 0.0000 62.2907 32.3055 176.1134 97 H 4.8599 7.6176 118.5649 54.3931 28.5737 175.2125 98 D 4.2350 7.7197 114.6672 53.5527 42.8070 175.7133 99 S 4.2243 8.9426 123.0120 61.0536 62.9390 175.6667 100 D 4.3366 8.4641 120.7629 56.5997 40.6795 176.3916 101 I 4.2472 7.7649 120.8530 60.0701 37.5415 175.3336 102 D 4.5300 8.8328 127.2062 56.8363 41.4093 176.1284 103 C 4.8173 7.3847 111.0322 58.2779 32.6231 172.6868 104 C 5.3978 8.9334 114.1264 57.2445 31.1043 173.9295 105 R 4.6257 9.0109 121.5430 54.9206 32.0206 174.7969 106 W 5.2122 8.3002 117.8875 55.4375 32.1461 175.5844 107 V 4.5308 7.8987 119.6858 62.4711 34.9569 172.6258 108 S 4.9987 9.0215 120.1958 57.2644 64.4320 174.8126 109 A 3.8769 9.0752 122.7875 55.7136 17.9777 179.7056 110 E 3.8286 8.1706 116.8044 59.4220 29.5694 178.5600 111 E 3.9787 7.8512 117.2379 59.1779 29.7067 179.2829 112 I 3.8437 7.8422 120.3407 64.2382 37.1040 178.3562 113 L 3.9609 7.6891 117.8541 57.6854 41.6192 178.1193 114 Q 4.1476 7.9701 115.0220 56.5176 29.0837 176.0978 115 A 4.1853 7.6875 122.4180 52.0681 18.9024 177.4344 116 S 4.7375 8.5946 115.6563 58.3454 63.4629 174.3451 117 N 4.9306 8.0031 116.8059 53.8535 38.4222 174.6258 118 L 4.9346 7.7222 119.4602 53.7125 43.2683 177.7360 119 R 4.3215 8.9459 122.4670 59.2964 30.5728 176.6529 120 S 4.5807 7.6486 110.2938 55.4478 66.0056 174.4728 121 P 4.0855 0.0000 0.0000 65.8303 30.7391 178.9018 122 L 3.6424 7.0950 117.4855 57.2433 41.2691 178.9464 123 V 3.9400 7.5060 119.1827 66.1083 31.3525 178.0368 124 A 3.9887 7.7160 119.4569 54.8987 18.3723 179.1323 125 E 3.7911 8.0271 117.2276 59.7409 29.4460 179.5728 126 S 4.1060 8.7301 116.1524 61.7383 62.7942 176.9789 127 I 3.4326 7.1953 120.7094 64.4958 36.8447 178.6672 128 R 4.0255 7.9782 118.7870 59.5956 29.5933 178.9786 129 C 4.1573 8.3289 116.2322 62.6509 28.4454 175.1325 130 Y 4.0704 8.1589 121.4704 60.8508 38.2222 178.1167 131 Q 4.1354 8.4334 118.4857 58.5504 28.9379 178.2079 132 S 4.1535 7.8015 114.7276 59.5273 62.8497 175.9954 133 G 3.7298 7.6474 109.5198 45.2483 0.0000 173.9385 134 Q 3.7301 7.3646 118.0694 56.4860 28.7326 176.2939 135 R 4.4142 7.5394 120.3171 54.5759 34.1874 173.9370 136 Y 5.1089 8.9190 120.0542 55.2914 42.6107 173.2706 137 P 4.7049 0.0000 0.0000 62.8010 32.4057 177.5888 138 L 4.0978 9.0180 123.4566 58.0623 41.6414 179.4611 139 E 3.9837 8.4760 117.2738 59.8864 28.8469 178.7949 140 M 4.3415 7.8059 116.3652 56.6168 31.3517 176.5235 141 I 4.4198 7.4492 113.7875 60.3314 38.1545 176.0082 142 G 3.7729 7.7643 109.7791 45.7744 0.0000 173.9667 143 D 4.5642 8.0092 119.0901 52.6255 40.3827 175.6572 144 F 4.8105 8.3199 121.3801 58.0110 42.4195 174.1212 145 N 3.8119 8.1194 124.5489 53.5840 36.0983 174.5955 146 W 4.1849 8.0773 127.0445 56.6718 31.2892 173.8909 147 P 4.0256 0.0000 0.0000 63.9504 31.0657 176.0172 148 F 5.1113 6.1160 117.1846 55.5173 41.7380 175.1633 149 T 4.3819 8.4056 113.0002 61.4900 69.6027 174.0965 150 K 4.6865 8.3085 121.2270 54.3227 35.7368 176.4500 151 G 3.7470 8.6491 111.9607 45.4049 0.0000 173.8315 152 V 3.9695 8.1683 123.7786 63.0730 31.9037 174.8143 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 8.30 4.49 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 2 F 8.78 4.21 0.00 3.02 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 K 7.32 4.00 0.00 1.47 1.42 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.23 1.26 7.81 4 P 0.00 4.34 0.00 2.11 2.14 0.00 3.52 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.05 0.00 5 H 8.89 4.33 0.00 2.79 3.36 0.00 5.79 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.60 5.10 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 1.32 0.00 0.00 1.09 0.00 0.00 7 T 9.73 5.39 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 1.33 0.00 0.00 8 V 9.08 5.45 2.36 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 1.04 0.00 0.00 1.06 0.00 0.00 9 A 9.47 5.17 1.27 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 10 C 8.72 5.40 0.00 2.92 2.94 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 11 V 9.22 4.06 2.31 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 0.97 0.00 0.00 1.02 0.00 0.00 12 V 8.38 4.92 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 1.07 0.00 0.00 0.97 0.00 0.00 13 H 9.48 5.24 0.00 2.56 2.97 0.00 5.68 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 14 A 8.89 4.54 0.98 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 0.00 0.00 15 E 9.42 3.46 0.00 1.84 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 0.00 2.08 2.02 0.00 16 G 7.83 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 17 K 7.90 4.98 0.00 1.73 2.09 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.47 7.81 18 F 9.53 5.25 0.00 2.83 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 19 L 9.13 3.40 0.00 0.27 1.16 0.19 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 20 V 8.38 4.81 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 0.70 0.00 0.00 1.03 0.00 0.00 21 V 9.11 4.77 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 0.81 0.00 0.00 0.89 0.00 0.00 22 E 8.60 3.75 0.00 1.16 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 1.92 1.55 0.00 23 E 8.70 4.58 0.00 1.88 1.60 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 0.00 2.12 2.33 0.00 24 T 7.87 5.28 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 1.17 0.00 0.00 25 I 7.92 3.90 1.86 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 1.31 0.80 0.91 0.00 0.00 26 N 9.72 3.85 0.00 2.87 2.75 0.00 0.00 7.10 8.02 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 27 G 8.39 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 28 K 7.59 4.61 0.00 1.82 1.64 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.37 7.81 29 A 8.53 4.82 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 30 L 9.00 5.11 0.00 1.62 1.50 1.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 31 W 8.84 5.36 0.00 3.23 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 32 N 8.42 5.06 0.00 2.73 2.59 0.00 0.00 6.96 7.12 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 33 Q 8.55 4.44 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.78 0.00 0.00 0.00 0.00 0.00 2.56 2.43 0.00 34 P 0.00 4.68 0.00 2.08 2.01 0.00 3.79 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 2.04 2.04 0.00 35 A 8.57 4.91 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 36 G 8.04 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 0.00 0.00 0.00 0.00 37 H 9.21 5.27 0.00 3.12 3.36 0.00 5.91 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 38 L 8.85 4.27 0.00 1.70 1.66 0.95 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.73 4.78 0.00 2.24 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 2.26 2.28 0.00 40 A 8.48 3.99 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 41 D 9.08 5.47 0.00 2.76 2.39 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 42 E 7.99 5.15 0.00 1.92 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 2.48 2.27 0.00 43 T 9.39 3.64 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 44 L 8.22 3.81 0.00 1.50 1.63 -0.20 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 45 V 7.45 3.09 1.91 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 0.83 0.00 0.00 0.79 0.00 0.00 46 E 8.06 3.87 0.00 2.13 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 2.38 2.31 0.00 47 A 8.28 4.11 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 48 A 7.68 3.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 A 7.93 3.94 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.36 3.94 0.00 1.93 2.12 0.00 3.28 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.75 0.00 51 E 8.73 3.98 0.00 2.03 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 2.56 2.60 0.00 52 L 8.05 3.94 0.00 2.03 1.91 1.09 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 53 W 8.25 4.32 0.00 3.59 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 9.37 4.01 0.00 2.22 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 2.62 2.84 0.00 55 E 8.02 4.44 0.00 1.94 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.49 0.00 56 T 8.09 4.29 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 1.11 0.00 0.00 57 G 8.39 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 0.00 0.00 0.00 58 I 7.72 4.45 1.98 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.00 1.00 0.00 0.00 59 S 8.47 4.92 0.00 4.03 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 A 8.27 4.58 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 61 Q 8.45 4.51 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 62 P 0.00 4.34 0.00 1.99 2.00 0.00 3.61 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 1.53 1.89 0.00 63 Q 8.78 4.37 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.69 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 64 H 8.13 5.20 0.00 3.19 3.34 0.00 5.80 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 F 9.67 4.90 0.00 3.09 3.26 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 66 I 8.38 3.61 1.77 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.63 0.77 0.00 0.00 67 R 5.84 3.85 0.00 1.64 1.43 0.00 2.96 0.00 0.00 2.78 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.23 0.00 68 M 8.26 4.74 0.00 1.85 1.56 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 1.00 2.04 0.00 69 H 8.94 4.88 0.00 3.04 3.09 0.00 5.85 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 Q 8.73 5.25 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 71 W 9.13 5.17 0.00 3.62 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 72 I 8.31 4.57 1.84 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 1.22 0.68 0.85 0.00 0.00 73 A 7.85 4.04 1.03 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 74 P 0.00 4.26 0.00 2.09 2.19 0.00 3.85 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 75 D 7.94 4.31 0.00 2.65 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 76 K 8.21 4.06 0.00 1.72 2.17 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.10 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.26 1.33 7.81 77 T 7.44 3.88 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 0.29 0.00 0.00 78 P 0.00 4.80 0.00 2.23 2.23 0.00 3.30 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 2.15 2.13 0.00 79 F 9.42 5.38 0.00 2.60 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 80 L 9.51 5.05 0.00 1.93 1.84 1.05 0.89 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 81 R 8.97 5.33 0.00 2.07 1.97 0.00 3.03 0.00 0.00 3.17 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.48 0.00 82 F 9.46 4.78 0.00 3.57 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 8.71 5.20 0.00 1.72 1.50 0.97 0.69 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 84 F 9.75 5.53 0.00 3.14 3.20 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 85 A 9.22 5.50 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 86 I 9.27 4.97 2.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.90 1.02 0.00 0.00 87 E 8.82 5.19 0.00 1.99 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 2.42 2.52 0.00 88 L 8.52 4.65 0.00 1.59 1.65 1.16 0.87 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 89 E 9.01 4.04 0.00 1.91 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 2.26 2.32 0.00 90 Q 7.42 4.60 0.00 1.93 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.69 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 91 I 8.43 2.83 1.34 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.01 0.00 0.00 92 C 8.03 4.90 0.00 3.07 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 93 P 0.00 4.48 0.00 2.10 2.06 0.00 3.66 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 2.05 2.09 0.00 94 T 7.84 4.85 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 95 Q 8.97 4.32 0.00 2.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.74 0.00 0.00 0.00 0.00 0.00 2.01 2.18 0.00 96 P 0.00 4.33 0.00 1.86 1.85 0.00 3.56 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.02 0.00 97 H 7.62 4.86 0.00 2.55 3.04 0.00 5.69 0.00 0.00 0.00 0.00 8.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 D 7.72 4.24 0.00 2.72 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 0.00 0.00 0.00 0.00 99 S 8.94 4.22 0.00 3.99 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 0.00 100 D 8.46 4.34 0.00 3.00 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 0.00 101 I 7.76 4.25 1.78 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.71 0.88 0.00 0.00 102 D 8.83 4.53 0.00 2.42 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 C 7.38 4.82 0.00 2.98 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 C 8.93 5.40 0.00 2.93 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 0.00 105 R 9.01 4.63 0.00 1.90 2.20 0.00 2.87 0.00 0.00 2.52 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.11 0.00 106 W 8.30 5.21 0.00 3.07 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 V 7.90 4.53 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 0.80 0.00 0.00 0.79 0.00 0.00 108 S 9.02 5.00 0.00 4.10 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 A 9.08 3.88 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 E 8.17 3.83 0.00 2.10 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 2.37 2.44 0.00 111 E 7.85 3.98 0.00 2.10 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 112 I 7.84 3.84 1.89 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.82 0.78 0.00 0.00 113 L 7.69 3.96 0.00 1.58 1.67 0.86 0.80 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 0.00 114 Q 7.97 4.15 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.85 0.00 0.00 0.00 0.00 0.00 2.48 2.42 0.00 115 A 7.69 4.19 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 0.00 116 S 8.59 4.74 0.00 3.98 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 N 8.00 4.93 0.00 2.72 3.10 0.00 0.00 7.01 6.74 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 0.00 118 L 7.72 4.93 0.00 1.58 1.57 0.90 0.86 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 0.00 119 R 8.95 4.32 0.00 1.80 1.95 0.00 3.29 0.00 0.00 3.29 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.60 0.00 120 S 7.65 4.58 0.00 3.78 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 P 0.00 4.09 0.00 1.91 2.04 0.00 3.40 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 122 L 7.10 3.64 0.00 1.14 1.30 -0.80 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 123 V 7.51 3.94 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.98 0.00 0.00 124 A 7.72 3.99 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 0.00 125 E 8.03 3.79 0.00 2.00 1.79 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 2.18 2.29 0.00 126 S 8.73 4.11 0.00 3.88 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 I 7.20 3.43 1.82 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.64 0.57 0.00 0.00 128 R 7.98 4.03 0.00 1.92 1.94 0.00 3.07 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 129 C 8.33 4.16 0.00 3.06 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 Y 8.16 4.07 0.00 3.18 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 Q 8.43 4.14 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.68 0.00 0.00 0.00 0.00 0.00 2.60 2.67 0.00 132 S 7.80 4.15 0.00 3.98 4.13 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 0.00 133 G 7.65 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 134 Q 7.36 3.73 0.00 1.87 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.53 0.00 0.00 0.00 0.00 0.00 2.18 2.04 0.00 135 R 7.54 4.41 0.00 1.39 1.62 0.00 3.22 0.00 0.00 3.07 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.35 0.00 136 Y 8.92 5.11 0.00 3.05 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 0.00 137 P 0.00 4.70 0.00 2.17 2.06 0.00 3.84 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.24 0.00 138 L 9.02 4.10 0.00 1.74 1.79 0.99 1.13 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 0.00 139 E 8.48 3.98 0.00 2.20 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 2.42 2.43 0.00 140 M 7.81 4.34 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.92 0.00 141 I 7.45 4.42 1.59 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.60 0.47 0.00 0.00 142 G 7.76 3.77 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 0.00 143 D 8.01 4.56 0.00 2.51 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 0.00 0.00 0.00 144 F 8.32 4.81 0.00 2.94 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 0.00 145 N 8.12 3.81 0.00 2.54 2.58 0.00 0.00 7.01 7.68 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 0.00 146 W 8.08 4.18 0.00 3.33 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 P 0.00 4.03 0.00 1.24 1.58 0.00 2.20 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.93 0.00 148 F 6.12 5.11 0.00 3.15 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 0.00 149 T 8.41 4.38 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 1.26 0.00 0.00 150 K 8.31 4.69 0.00 1.73 1.71 0.00 1.65 0.00 0.00 1.45 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.63 1.58 7.81 151 G 8.65 3.75 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 0.00 0.00 0.00 152 V 8.17 3.97 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 0.83 0.00 0.00 0.92 0.00 0.00