NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3548 8.0327 117.3324 63.3698 70.6390 172.3194 2 E 4.5098 8.8596 127.7161 55.3404 29.9249 174.6030 3 L 4.6273 8.7950 128.8031 54.3183 44.0364 175.7143 4 T 4.5567 8.0313 109.5869 60.1573 71.3829 175.7545 5 K 3.2165 8.7506 122.7162 60.0412 32.1505 179.5818 6 C 4.5265 8.0711 116.0547 59.6106 39.4434 175.8452 7 K 3.8594 8.1427 121.7233 59.2610 31.7069 179.1230 8 V 3.4095 7.8298 118.7898 66.1495 31.2651 177.9457 9 S 4.0934 8.1113 113.7754 62.1992 62.8526 176.3782 10 H 4.2307 8.4098 118.3600 58.7881 28.2360 177.7546 11 A 4.0675 7.9760 121.8334 54.2189 18.4305 178.6959 12 I 4.2244 7.6748 109.7825 60.7603 37.8970 177.5095 13 K 3.8375 7.6154 122.8679 60.1040 31.6560 177.8235 14 D 4.3145 8.0874 116.5742 57.4660 41.1523 177.8333 15 I 3.6426 7.7313 118.0432 62.7459 38.0989 174.7877 16 D 4.6103 7.8380 120.3283 56.4683 41.1461 176.3944 17 G 4.0482 9.5542 116.3706 45.3921 0.0000 172.4675 18 Y 4.2919 8.0171 121.9752 59.0722 39.0644 175.7398 19 Q 2.8947 9.1067 126.0362 56.8506 27.5650 173.9514 20 G 3.8716 8.4145 102.2721 45.0933 0.0000 173.6810 21 I 4.3367 7.6179 121.7347 59.3941 38.4875 176.1229 22 S 4.9462 9.1572 121.6470 57.5767 65.3618 175.0928 23 L 4.1840 8.8471 123.3937 58.1277 41.7258 178.8559 24 L 4.1350 7.9861 118.6081 58.0424 41.6145 179.2194 25 E 3.9422 8.2641 118.4062 59.1450 29.3671 179.5358 26 W 4.0442 8.1892 118.8553 59.5434 29.1221 178.3089 27 A 4.1665 8.6502 121.2358 55.3400 17.8048 178.9503 28 C 2.0000 7.3456 116.1875 58.8753 44.4974 175.7949 29 V 3.4812 7.7049 120.1540 66.2072 31.0853 178.0475 30 L 3.9725 8.5340 118.8943 57.4355 41.3201 179.2758 31 F 2.9414 7.8629 120.6804 61.3652 39.1122 177.0405 32 H 4.0002 7.7181 113.9127 58.5248 28.4908 177.7041 33 T 4.2334 7.7204 117.7405 65.7206 68.4125 175.5732 34 S 4.4377 7.7687 111.0846 56.7211 64.6642 174.5845 35 G 3.0687 8.1569 108.5674 46.5676 0.0000 173.6774 36 Y 3.7264 7.5814 113.5553 58.5257 35.6311 168.9939 37 D 5.1046 7.8977 121.1922 53.0599 40.9302 177.2497 38 T 4.0657 8.7121 118.5898 63.8827 68.8474 175.6181 39 Q 4.5693 8.5668 120.2341 55.3730 29.2988 175.3653 40 A 4.1559 7.9929 121.8618 52.3988 19.5685 177.4237 41 V 4.5885 8.2053 120.9193 61.1914 34.4046 174.6909 42 V 4.4662 8.5708 127.3439 61.1754 35.0125 174.1246 43 N 5.0902 8.6952 124.0717 52.7581 40.2524 174.9756 44 D 4.2200 9.2520 121.8297 53.5186 42.6112 174.1557 45 N 4.2662 9.2777 119.1184 53.3094 35.3685 174.6082 46 G 3.8771 8.7226 115.2134 45.8699 0.0000 170.1745 47 S 4.7566 7.8929 113.1839 56.7915 66.5541 172.4445 48 T 5.0333 9.4642 115.8582 61.8280 72.3034 173.2315 49 E 5.3019 9.3966 124.6432 54.8479 32.8639 174.5303 50 Y 4.9654 9.2481 121.5105 57.3908 41.5463 177.6112 51 G 4.4721 9.1127 112.7634 44.6076 0.0000 173.1190 52 L 3.9553 8.7752 118.7848 57.2988 41.7788 178.8013 53 F 4.7108 8.4878 113.2374 57.0016 40.0219 175.1762 54 Q 3.6729 8.1005 119.4089 57.0715 26.6433 174.2425 55 I 4.2513 8.0605 118.7361 61.2119 38.9110 177.4477 56 S 5.3227 9.3859 122.5939 58.0099 63.6104 174.0335 57 D 5.2449 9.1885 124.7362 53.7855 39.4600 177.5593 58 R 4.1243 8.3221 120.5853 59.2447 30.2725 177.2324 59 F 4.8543 7.8582 113.3037 56.8630 41.6149 176.8868 60 W 4.5629 8.1567 120.1497 57.9578 29.8013 173.4571 61 C 5.4322 7.9344 110.7660 53.3683 45.4553 172.7372 62 K 4.6581 8.8183 121.6633 55.0760 33.2175 175.7086 63 S 5.1242 8.4834 121.7776 56.3178 65.4632 174.3329 64 S 4.3032 8.6785 114.0718 60.8900 63.2627 175.3379 65 E 4.1342 8.3150 121.2072 58.3843 30.1954 176.3386 66 F 5.2527 8.0833 119.8341 55.4955 39.1648 172.9625 67 P 4.2565 0.0000 0.0000 65.0539 31.7529 177.2930 68 E 4.0400 7.8948 115.8022 56.1033 29.6223 176.2120 69 S 3.0601 6.1599 111.7134 58.4552 62.7707 174.0101 70 E 3.8089 8.6181 125.5417 57.4350 30.1633 176.3111 71 N 4.1330 8.1698 116.5519 54.1117 37.8206 175.2346 72 I 3.6561 7.9426 119.9065 64.8530 37.6851 177.6695 73 C 4.4239 8.7680 116.4468 57.4439 40.6201 173.3186 74 G 3.7550 8.2580 107.6010 45.6503 0.0000 173.2657 75 I 4.4678 7.0450 117.1114 59.1855 41.9436 173.4235 76 S 4.5911 8.4013 120.1710 58.0197 63.1555 175.9670 77 C 4.1164 8.8074 124.8953 59.8432 34.6753 176.1826 78 D 4.2070 7.9514 120.4589 56.6963 40.1394 178.1467 79 K 4.2734 7.8543 117.6002 57.7786 32.1515 177.3373 80 L 4.8387 7.6491 118.5023 53.8296 41.8830 177.1657 81 L 5.4595 8.1599 117.2587 53.4947 42.1610 175.3931 82 D 5.1212 7.9457 118.8329 51.8794 41.9922 175.2225 83 D 4.6454 8.6106 117.7225 54.4546 40.8332 176.2188 84 E 4.4785 8.1788 120.2811 55.1440 29.8221 176.4870 85 L 4.5659 8.2786 123.7910 55.2083 42.1203 178.3413 86 D 4.3200 8.0230 120.2305 57.5087 40.8127 178.2291 87 D 4.3000 7.9859 119.0032 56.3902 39.0121 178.0025 88 D 4.2817 8.0408 119.8145 57.2279 40.8577 178.7059 89 I 3.0047 8.0333 120.2705 64.0715 36.9452 178.2886 90 A 3.7894 7.8751 121.5972 55.2465 18.1820 178.9122 91 C 4.1331 8.2115 116.7599 59.7135 41.4487 175.5768 92 A 3.8244 7.6995 122.5540 55.1002 17.6575 179.7918 93 K 4.1372 7.9536 117.0370 59.4307 31.9232 179.8004 94 K 4.0555 7.6928 119.0138 59.4296 31.9658 179.4682 95 I 2.8525 7.4807 120.0136 64.0344 36.9727 178.4039 96 L 4.2101 8.5388 120.0239 57.9879 41.2811 179.5749 97 A 4.0417 8.3168 119.8758 54.7466 18.3730 179.4211 98 I 4.0216 7.9890 117.6751 63.8323 37.7417 177.5508 99 K 4.3834 7.9055 117.6901 57.1651 33.3299 175.9499 100 G 4.2101 8.3893 104.3088 45.0011 0.0000 173.9371 101 I 3.9695 8.3829 117.6033 63.8536 37.8747 177.3623 102 D 4.5494 8.2058 118.8833 56.9864 40.9549 176.7968 103 Y 3.9663 7.9881 120.1111 60.1151 38.7963 176.4996 104 W 4.3742 8.4222 122.3138 55.1653 27.8496 176.8746 105 K 4.0207 8.4167 123.5043 59.1097 31.8522 178.3337 106 A 4.1545 8.1096 120.2890 54.3756 18.2861 178.4371 107 Y 4.0643 8.0306 118.8638 60.9298 38.5661 178.1257 108 K 3.6064 8.0588 119.2181 58.8669 32.6449 176.0834 109 P 4.3384 0.0000 0.0000 65.3401 31.3538 176.8844 110 M 4.4355 7.9139 116.2100 55.4314 32.9302 175.6178 111 C 5.0296 8.0442 116.2541 56.8355 41.2620 174.8753 112 S 4.1061 8.0501 115.4498 58.8021 63.2514 173.4122 113 E 4.5651 7.7483 116.5282 55.2543 32.5042 174.2435 114 K 3.8408 8.4810 115.6591 57.5487 29.6042 176.7573 115 L 4.6256 7.6473 118.0263 57.0103 42.2401 178.4505 116 E 4.0343 8.2685 119.6339 59.0908 29.3334 178.4257 117 Q 3.9288 7.9158 116.3744 58.3582 28.5727 177.5051 118 W 4.6268 7.6326 118.8339 56.0202 29.7249 176.3405 119 R 4.1034 7.5473 120.5967 56.1486 30.1605 174.6123 120 C 4.8288 8.6865 124.4044 55.1790 44.8222 173.0798 121 E 4.2342 8.6565 125.4811 56.0567 29.7962 176.0117 122 K 4.1107 7.8364 121.5491 55.3451 32.6933 174.7215 123 P 4.4750 0.0000 0.0000 62.9398 31.2030 176.1640 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 T 8.03 4.35 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 1.24 0.00 0.00 2 E 8.86 4.51 0.00 2.12 1.94 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 2.40 2.67 0.00 3 L 8.79 4.63 0.00 1.52 1.55 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.03 4.56 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 1.23 0.00 0.00 5 K 8.75 3.22 0.00 2.13 1.94 0.00 2.06 0.00 0.00 2.06 0.00 0.00 2.99 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.59 1.78 7.81 6 C 8.07 4.53 0.00 3.01 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 7 K 8.14 3.86 0.00 1.73 1.73 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.56 7.81 8 V 7.83 3.41 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.66 0.00 0.00 9 S 8.11 4.09 0.00 3.81 3.92 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 0.00 0.00 0.00 10 H 8.41 4.23 0.00 3.31 3.35 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 A 7.98 4.07 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 12 I 7.67 4.22 1.73 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 1.67 0.80 0.92 0.00 0.00 13 K 7.62 3.84 0.00 1.70 1.93 0.00 1.68 0.00 0.00 1.54 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.65 1.61 7.81 14 D 8.09 4.31 0.00 2.56 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.73 3.64 1.63 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.97 0.66 0.00 0.00 16 D 7.84 4.61 0.00 2.75 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 17 G 9.55 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 18 Y 8.02 4.29 0.00 3.09 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 19 Q 9.11 2.89 0.00 1.54 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.76 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 20 G 8.41 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 21 I 7.62 4.34 1.83 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 1.19 0.58 0.01 0.00 0.00 22 S 9.16 4.95 0.00 4.07 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 23 L 8.85 4.18 0.00 1.95 1.78 0.98 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.99 4.14 0.00 1.86 1.82 1.02 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.26 3.94 0.00 2.07 1.94 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 2.43 2.40 0.00 26 W 8.19 4.04 0.00 3.51 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 27 A 8.65 4.17 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.35 2.00 0.00 1.23 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 V 7.70 3.48 1.89 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 0.97 0.00 0.00 0.81 0.00 0.00 30 L 8.53 3.97 0.00 1.92 1.73 0.36 0.48 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 31 F 7.86 2.94 0.00 2.71 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 32 H 7.72 4.00 0.00 3.18 3.34 0.00 5.70 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 33 T 7.72 4.23 4.35 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 1.47 0.00 0.00 34 S 7.77 4.44 0.00 3.94 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 35 G 8.16 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 0.00 0.00 0.00 36 Y 7.58 3.73 0.00 3.31 2.97 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 37 D 7.90 5.10 0.00 2.70 2.69 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 38 T 8.71 4.07 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 1.28 0.00 0.00 39 Q 8.57 4.57 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.84 0.00 0.00 0.00 0.00 0.00 2.52 2.38 0.00 40 A 7.99 4.16 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 41 V 8.21 4.59 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 0.53 0.00 0.00 0.96 0.00 0.00 42 V 8.57 4.47 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 0.88 0.00 0.00 0.95 0.00 0.00 43 N 8.70 5.09 0.00 2.58 2.68 0.00 0.00 6.68 8.06 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 44 D 9.25 4.22 0.00 2.55 2.46 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 0.00 45 N 9.28 4.27 0.00 2.89 3.08 0.00 0.00 6.46 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.72 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 0.00 0.00 0.00 47 S 7.89 4.76 0.00 4.19 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 48 T 9.46 5.03 4.32 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 0.78 0.00 0.00 49 E 9.40 5.30 0.00 1.95 1.94 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 2.35 2.29 0.00 50 Y 9.25 4.97 0.00 2.96 2.92 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 0.00 0.00 0.00 51 G 9.11 4.47 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 0.00 52 L 8.78 3.96 0.00 1.62 1.79 0.95 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.49 4.71 0.00 3.24 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 54 Q 8.10 3.67 0.00 2.40 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.84 0.00 0.00 0.00 0.00 0.00 2.42 2.64 0.00 55 I 8.06 4.25 2.06 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 1.10 0.86 1.04 0.00 0.00 56 S 9.39 5.32 0.00 4.21 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 0.00 57 D 9.19 5.24 0.00 2.88 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 58 R 8.32 4.12 0.00 1.64 1.84 0.00 2.67 0.00 0.00 2.83 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 59 F 7.86 4.85 0.00 1.99 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 0.00 0.00 0.00 60 W 8.16 4.56 0.00 3.61 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 61 C 7.93 5.43 0.00 3.04 3.17 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 62 K 8.82 4.66 0.00 1.87 1.64 0.00 1.51 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.29 1.25 7.81 63 S 8.48 5.12 0.00 4.00 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 64 S 8.68 4.30 0.00 4.03 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 65 E 8.31 4.13 0.00 2.03 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 2.33 0.00 66 F 8.08 5.25 0.00 2.99 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 67 P 0.00 4.26 0.00 2.07 2.08 0.00 3.84 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 2.06 2.27 0.00 68 E 7.89 4.04 0.00 1.95 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 2.25 2.28 0.00 69 S 6.16 3.06 0.00 3.26 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 70 E 8.62 3.81 0.00 1.99 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 0.00 2.13 2.23 0.00 71 N 8.17 4.13 0.00 2.81 2.67 0.00 0.00 7.12 7.21 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 72 I 7.94 3.66 1.76 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.47 1.02 0.00 0.00 73 C 8.77 4.42 0.00 3.23 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 74 G 8.26 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 75 I 7.05 4.47 1.86 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 1.15 1.43 0.91 0.00 0.00 76 S 8.40 4.59 0.00 3.85 3.66 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 0.00 0.00 0.00 77 C 8.81 4.12 0.00 2.21 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 78 D 7.95 4.21 0.00 2.68 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 79 K 7.85 4.27 0.00 1.87 2.07 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.60 7.81 80 L 7.65 4.84 0.00 1.94 1.80 0.97 0.46 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 81 L 8.16 5.46 0.00 1.83 1.71 1.15 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 82 D 7.95 5.12 0.00 2.74 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 83 D 8.61 4.65 0.00 2.70 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 84 E 8.18 4.48 0.00 2.10 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 2.26 0.00 85 L 8.28 4.57 0.00 1.74 1.73 0.98 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 86 D 8.02 4.32 0.00 2.73 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 D 7.99 4.30 0.00 2.91 2.89 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 88 D 8.04 4.28 0.00 2.97 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 89 I 8.03 3.00 1.90 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 1.38 0.68 0.66 0.00 0.00 90 A 7.88 3.79 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 91 C 8.21 4.13 0.00 3.02 3.12 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 0.00 0.00 0.00 92 A 7.70 3.82 0.38 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 93 K 7.95 4.14 0.00 1.76 1.58 0.00 1.30 0.00 0.00 1.31 0.00 0.00 2.33 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.83 1.23 7.81 94 K 7.69 4.06 0.00 1.96 2.00 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.66 7.81 95 I 7.48 2.85 1.62 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 -0.41 0.00 0.00 96 L 8.54 4.21 0.00 2.18 1.87 1.33 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 97 A 8.32 4.04 1.46 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 0.00 0.00 0.00 98 I 7.99 4.02 2.25 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.78 1.07 0.00 0.00 99 K 7.91 4.38 0.00 2.00 1.99 0.00 2.12 0.00 0.00 2.01 0.00 0.00 3.34 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.48 1.63 7.81 100 G 8.39 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 I 8.38 3.97 1.56 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.27 0.65 0.77 0.00 0.00 102 D 8.21 4.55 0.00 2.78 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 0.00 103 Y 7.99 3.97 0.00 2.60 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 W 8.42 4.37 0.00 3.68 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 0.00 105 K 8.42 4.02 0.00 1.69 1.88 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.40 7.81 106 A 8.11 4.15 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 0.00 107 Y 8.03 4.06 0.00 3.00 3.11 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 0.00 0.00 0.00 0.00 108 K 8.06 3.61 0.00 1.78 1.81 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.39 7.81 109 P 0.00 4.34 0.00 2.18 2.14 0.00 3.88 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 2.12 1.97 0.00 110 M 7.91 4.44 0.00 1.77 2.07 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.51 0.00 111 C 8.04 5.03 0.00 2.79 2.89 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 0.00 112 S 8.05 4.11 0.00 3.73 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 E 7.75 4.57 0.00 2.03 1.88 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 2.17 2.35 0.00 114 K 8.48 3.84 0.00 1.95 1.88 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.78 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.36 1.45 7.81 115 L 7.65 4.63 0.00 1.79 1.86 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.27 4.03 0.00 2.09 1.94 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 2.38 2.42 0.00 117 Q 7.92 3.93 0.00 1.74 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.87 0.00 0.00 0.00 0.00 0.00 2.12 1.16 0.00 118 W 7.63 4.63 0.00 3.51 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 0.00 119 R 7.55 4.10 0.00 1.90 1.91 0.00 3.42 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 120 C 8.69 4.83 0.00 2.99 2.97 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 0.00 121 E 8.66 4.23 0.00 2.00 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 2.26 2.22 0.00 122 K 7.84 4.11 0.00 1.74 1.80 0.00 1.73 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.45 7.81 123 P 0.00 4.48 0.00 2.09 1.97 0.00 3.77 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00