NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 33 V 4.1139 7.9133 120.3987 62.4677 33.7233 177.3858 34 P 4.0941 0.0000 0.0000 64.9455 30.7785 176.8491 35 H 4.1992 8.8690 117.2809 59.7069 30.6675 176.5527 36 T 3.8867 7.9322 117.0432 66.5280 68.2480 176.1191 37 L 3.9468 8.2957 122.7962 58.1508 41.9887 179.1603 38 S 4.2835 7.7989 112.4996 60.6746 63.0224 175.4367 39 T 4.2635 7.3103 111.5522 61.4728 69.5041 174.3719 40 L 4.6401 7.2518 122.5343 53.7248 44.4277 175.3179 41 K 5.2431 8.2723 118.5344 54.6823 36.5453 176.0323 42 T 4.6496 9.0624 112.5386 60.8328 70.0810 175.5872 43 A 4.1001 9.2962 125.8079 54.9916 18.3738 178.0397 44 D 4.8491 8.0978 113.6612 53.3443 39.9043 175.7586 45 N 4.2644 8.2869 115.4546 55.6121 38.0692 173.6706 46 R 4.7415 7.7634 114.1783 52.8352 32.6675 174.2252 47 P 4.5125 0.0000 0.0000 62.5393 32.0207 177.5102 48 A 4.1665 8.8839 125.0889 55.5599 18.2524 180.0340 49 S 4.0861 8.2175 112.9309 61.4918 62.5922 176.7380 50 V 3.5129 7.7408 120.5218 65.1301 31.0818 175.9875 51 Y 4.5320 7.8310 114.1936 57.2556 37.9977 175.1828 52 L 4.6894 7.8362 120.3477 52.8372 43.4409 176.2055 53 K 4.4098 9.1514 124.5670 54.9905 33.2484 178.3278 54 K 3.9105 8.9291 123.5288 59.5820 32.0318 177.5356 55 D 4.8919 7.9773 115.2238 53.1193 39.5428 175.7090 56 K 4.8784 7.5993 118.4619 54.4000 36.0119 174.2771 57 P 4.7005 0.0000 0.0000 63.1715 33.3994 174.8485 58 T 5.0684 9.1431 117.3911 61.7696 71.6660 172.8063 59 L 5.0968 9.2178 129.3589 53.6800 44.0853 174.9238 60 I 4.8429 9.0831 127.6215 59.2661 40.3727 174.3238 61 K 3.7811 8.1623 128.2907 54.3496 33.7682 174.7348 62 F 5.0788 8.9358 127.5864 56.2647 40.7806 175.1965 63 W 4.7527 7.9171 118.6886 55.5218 31.7762 173.4199 64 A 4.0691 7.6831 120.7829 49.9234 21.4082 177.3664 65 S 4.1180 8.7543 116.2793 60.8446 62.8751 175.8822 66 W 4.2478 7.5329 115.8635 57.5660 28.5639 175.9309 67 C 4.3125 7.1954 120.8089 57.6839 31.5261 171.8055 68 P 4.2751 0.0000 0.0000 65.9516 30.5983 178.3721 69 L 3.9619 7.7982 117.4018 57.8289 41.9396 178.7538 70 C 4.1513 7.9141 116.0196 62.7689 28.0247 175.9641 71 L 3.9549 8.1698 121.0598 57.7529 41.0929 179.3690 72 S 4.3460 8.0935 111.5375 59.8073 63.2560 174.8936 73 E 4.3602 7.6032 121.3467 55.8487 30.2972 177.4089 74 L 3.3442 7.2002 120.9028 57.5574 41.5318 179.5938 75 G 3.6525 7.5514 104.9546 47.7079 0.0000 175.3925 76 Q 3.7562 7.6554 121.4366 59.2410 29.1337 178.3412 77 T 3.4084 7.6744 117.0882 66.2331 68.1152 176.3817 78 E 3.9072 7.7370 120.7183 58.9076 30.0615 178.3980 79 K 4.1526 8.0308 119.7279 59.4160 32.3316 178.6284 80 W 4.6289 8.4162 118.9968 60.1050 28.7864 178.2980 81 A 4.1780 8.1747 119.1354 54.6972 17.8491 178.6403 82 Q 4.4951 7.7409 113.1633 54.9383 30.0365 175.2662 83 D 4.6207 7.9326 121.6106 53.2164 42.1841 176.9146 84 A 4.0911 8.7570 129.0533 55.1260 18.6432 179.4626 85 K 3.5632 8.3609 115.1617 58.9639 32.2737 177.7773 86 F 4.8695 7.9717 116.1029 57.0407 39.1648 177.6406 87 S 4.2722 8.0876 118.6959 61.1296 62.6209 175.4215 88 S 4.3631 8.0479 113.2147 59.1706 63.2847 173.1736 89 A 4.9855 7.7791 121.9481 50.3673 22.5709 175.5046 90 N 4.7526 9.2793 117.1617 52.8806 40.3870 174.6218 91 L 5.3515 8.5085 123.5466 53.5532 44.8713 175.1015 92 I 4.8364 8.7244 119.3483 59.3214 41.7686 174.0043 93 T 4.8528 8.4120 111.4249 59.7416 72.6063 172.9660 94 V 4.4945 8.5945 122.5212 61.0645 34.5514 173.9829 95 A 4.2146 8.5946 129.6746 50.0942 21.9232 175.5524 96 S 4.5846 7.7922 116.7385 55.2441 64.4487 171.3563 97 P 4.3290 0.0000 0.0000 63.8008 31.7928 177.3874 98 G 3.9949 8.6179 109.3244 45.9142 0.0000 173.1087 99 F 4.7698 7.7466 120.5530 57.2327 42.6703 174.5552 100 L 3.0039 8.3284 125.2961 56.2259 38.8211 174.6594 101 H 3.9706 7.6511 109.1388 56.3408 26.6338 175.2136 102 E 4.5667 7.8922 120.3969 55.2755 30.5824 176.5739 103 K 4.2498 8.7319 123.7337 56.4859 33.5472 176.7044 104 K 4.5051 8.6647 122.1444 56.4791 34.0690 175.7540 105 D 4.6163 8.6257 120.6428 56.3661 41.8302 175.6436 106 G 4.4899 9.7530 121.5477 46.3815 0.0000 175.6294 107 D 4.4573 8.0393 120.0269 56.4962 40.8294 178.6447 108 F 4.2243 8.4471 121.1957 61.6345 39.5262 177.1168 109 Q 4.1767 8.4996 117.1647 59.1314 28.2822 179.1755 110 K 4.0242 8.0044 118.6415 59.0285 32.3740 178.9786 111 W 4.1875 8.1689 128.7473 60.7098 30.6299 177.5700 112 Y 3.0041 8.4437 119.4996 59.9357 37.9184 177.3522 113 A 3.8837 7.8333 120.9944 54.2518 18.4744 178.9917 114 G 3.4810 7.2813 102.7307 45.1402 0.0000 173.6964 115 L 4.1647 6.6077 120.9207 53.1794 43.3654 176.1773 116 N 4.4679 7.3827 117.0099 52.1324 39.8780 173.3126 117 Y 4.7943 7.5326 124.6567 54.9016 38.9123 174.3902 118 P 4.2089 0.0000 0.0000 65.5082 31.6970 178.0629 119 K 4.3733 8.4849 115.6831 55.8038 32.1923 175.6027 120 L 4.4035 7.7859 122.5224 52.6948 42.6503 174.1912 121 P 3.8323 0.0000 0.0000 62.3592 32.5250 175.6041 122 V 4.6015 8.1542 124.3376 59.8720 33.4340 173.5731 123 V 4.3550 8.8292 128.6073 62.2537 32.9125 174.3872 124 T 4.6541 8.3430 118.4092 60.2127 70.5033 174.3058 125 D 4.7139 8.7833 126.9147 51.2082 41.7434 172.3517 126 N 4.4322 8.3479 119.5614 55.6076 39.2000 174.8630 127 G 3.8713 8.9468 115.9155 44.0696 0.0000 172.6327 128 G 3.0960 8.3255 107.9170 46.6911 0.0000 175.9688 129 T 3.6693 7.9104 117.5369 66.5343 68.8167 176.2348 130 I 3.6423 8.7298 121.6383 64.2635 37.1778 178.2186 131 A 3.5121 7.7585 121.0648 55.2234 18.1518 179.5801 132 Q 3.8599 7.7100 116.3520 59.1315 28.5634 178.7604 133 S 4.0745 7.6756 112.9325 61.0099 62.4738 175.3606 134 L 4.3056 7.7566 118.3854 53.4458 42.0947 175.7242 135 N 4.1378 7.9230 116.4501 54.4204 37.7551 174.2079 136 I 3.8800 8.0885 118.2035 60.9762 37.6575 176.5501 137 S 4.5232 8.4733 117.3357 57.1057 64.4943 174.0791 138 V 4.4573 7.4194 119.0240 59.8033 34.1541 174.2324 139 Y 5.0282 8.2348 118.1068 55.6591 41.0590 173.9628 140 P 5.1295 0.0000 0.0000 62.8122 33.4399 174.6016 141 S 5.3719 8.7462 113.9449 57.1733 67.7318 173.6718 142 W 5.4464 10.0922 121.9762 55.0157 32.9824 174.3375 143 A 5.3314 9.3850 124.4104 50.1286 22.3160 174.5699 144 L 5.1481 9.2141 123.8811 53.4645 44.7226 175.0112 145 I 4.7995 9.0565 128.0692 59.2581 39.3592 176.2416 146 G 4.0301 9.3612 116.7267 44.8357 0.0000 174.4095 147 K 4.2475 8.5765 119.0851 59.0084 32.3218 177.5379 148 D 4.5011 8.0098 116.5835 54.6181 41.0645 176.9728 149 G 4.0525 8.6862 108.7941 44.8549 0.0000 173.7135 150 D 4.5408 7.8043 119.9574 52.4100 40.4901 175.7989 151 V 4.0449 8.3404 122.4858 63.2191 32.1646 175.2400 152 Q 4.5640 8.9248 126.3676 57.0763 31.1229 175.6583 153 R 4.7466 7.6166 116.7917 55.2617 33.7033 173.6774 154 I 5.1066 8.4682 125.6633 59.6139 40.3926 174.6737 155 V 4.4777 9.6279 128.5851 60.9950 33.8054 174.5329 156 K 4.5945 8.2955 127.3925 56.2226 33.2028 177.5608 157 G 4.0135 8.9300 111.1063 44.6217 0.0000 173.0574 158 S 4.7372 8.3029 114.3272 58.3126 63.4525 174.0265 159 I 4.8279 8.1833 115.1691 58.6349 40.3681 175.0322 160 N 5.1600 8.8653 120.3648 51.1931 40.6340 175.4960 161 E 3.2084 8.9688 119.6275 59.4421 29.4687 178.4057 162 A 3.8906 7.9663 119.9070 55.4287 18.5027 179.5275 163 Q 3.8998 8.7822 116.6564 58.8346 28.8510 178.7840 164 A 3.7039 7.9361 122.2712 54.9695 18.2477 179.7283 165 L 3.9312 8.1468 117.6311 57.6677 41.5570 179.6179 166 A 3.9211 7.8960 120.8383 54.9945 18.1098 179.3105 167 L 3.8945 7.6974 117.7619 58.5177 42.1783 179.0440 168 I 3.9516 7.4679 118.3178 64.0054 37.1335 178.0782 169 R 4.2213 7.8466 119.0799 57.9699 30.2978 176.4222 170 D 4.4900 8.3780 120.4180 52.3614 43.3993 173.6199 171 P 4.3911 0.0000 0.0000 65.1646 31.4068 176.8855 172 N 4.7767 8.2090 112.4092 52.5874 39.3510 174.8977 173 A 4.0728 7.6417 121.6542 52.1360 18.9474 177.4717 174 D 4.6376 8.3090 120.0219 52.7829 40.5058 177.1486 175 L 4.1300 8.4467 123.3607 55.0694 41.5587 177.5572 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 33 V 7.91 4.11 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 1.13 0.00 0.00 0.98 0.00 0.00 34 P 0.00 4.09 0.00 2.31 2.13 0.00 3.68 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 2.17 2.23 0.00 35 H 8.87 4.20 0.00 3.11 3.35 0.00 5.94 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.93 3.89 4.23 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 1.17 0.00 0.00 37 L 8.30 3.95 0.00 1.99 1.86 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 38 S 7.80 4.28 0.00 4.11 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 39 T 7.31 4.26 4.19 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 0.00 0.00 0.00 1.12 0.00 0.00 40 L 7.25 4.64 0.00 1.75 1.60 0.88 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.27 5.24 0.00 1.69 1.75 0.00 1.78 0.00 0.00 1.89 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.41 7.81 42 T 9.06 4.65 4.37 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 1.35 0.00 0.00 43 A 9.30 4.10 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.10 4.85 0.00 2.86 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 45 N 8.29 4.26 0.00 2.89 2.97 0.00 0.00 6.91 8.36 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 46 R 7.76 4.74 0.00 2.07 1.85 0.00 3.35 0.00 0.00 3.35 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 2.03 0.00 47 P 0.00 4.51 0.00 2.17 1.99 0.00 3.61 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 48 A 8.88 4.17 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.22 4.09 0.00 3.88 3.95 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 50 V 7.74 3.51 1.69 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 0.19 0.00 0.00 0.83 0.00 0.00 51 Y 7.83 4.53 0.00 3.12 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 52 L 7.84 4.69 0.00 1.63 1.61 0.96 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 53 K 9.15 4.41 0.00 1.92 1.74 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.43 7.81 54 K 8.93 3.91 0.00 1.75 1.90 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.40 7.81 55 D 7.98 4.89 0.00 2.77 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 56 K 7.60 4.88 0.00 1.72 1.74 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.37 7.81 57 P 0.00 4.70 0.00 2.16 2.21 0.00 3.86 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 2.03 0.00 58 T 9.14 5.07 4.29 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 1.24 0.00 0.00 59 L 9.22 5.10 0.00 1.82 1.67 1.13 0.81 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 60 I 9.08 4.84 1.72 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.55 0.09 0.00 0.00 61 K 8.16 3.78 0.00 0.79 0.90 0.00 1.00 0.00 0.00 1.05 0.00 0.00 2.57 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.68 0.21 7.81 62 F 8.94 5.08 0.00 3.12 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 63 W 7.92 4.75 0.00 3.10 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 64 A 7.68 4.07 0.35 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 65 S 8.75 4.12 0.00 2.72 3.19 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 0.00 0.00 0.00 0.00 66 W 7.53 4.25 0.00 3.50 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 67 C 7.20 4.31 0.00 1.92 2.57 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 68 P 0.00 4.28 0.00 2.34 2.36 0.00 3.87 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.15 0.00 69 L 7.80 3.96 0.00 1.64 1.79 0.98 0.93 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 70 C 7.91 4.15 0.00 3.20 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 71 L 8.17 3.95 0.00 1.85 1.80 1.13 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.09 4.35 0.00 4.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 7.60 4.36 0.00 1.91 1.69 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 2.20 2.31 0.00 74 L 7.20 3.34 0.00 0.70 0.13 0.67 -0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 75 G 7.55 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 7.66 3.76 0.00 1.89 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.85 0.00 0.00 0.00 0.00 0.00 1.16 2.05 0.00 77 T 7.67 3.41 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 1.07 0.00 0.00 78 E 7.74 3.91 0.00 2.05 2.18 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 2.39 2.35 0.00 79 K 8.03 4.15 0.00 1.94 2.07 0.00 1.80 0.00 0.00 1.79 0.00 0.00 3.08 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.75 1.64 7.81 80 W 8.42 4.63 0.00 3.50 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 81 A 8.17 4.18 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 82 Q 7.74 4.50 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 83 D 7.93 4.62 0.00 3.15 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 84 A 8.76 4.09 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 K 8.36 3.56 0.00 1.03 1.00 0.00 1.50 0.00 0.00 1.34 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.22 1.40 7.81 86 F 7.97 4.87 0.00 3.13 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 87 S 8.09 4.27 0.00 4.00 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 88 S 8.05 4.36 0.00 4.02 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 A 7.78 4.99 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 90 N 9.28 4.75 0.00 2.68 2.94 0.00 0.00 6.70 6.69 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 91 L 8.51 5.35 0.00 1.67 1.59 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 92 I 8.72 4.84 1.75 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 1.24 0.62 0.93 0.00 0.00 93 T 8.41 4.85 4.36 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 0.97 0.00 0.00 94 V 8.59 4.49 1.43 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 0.90 0.00 0.00 0.65 0.00 0.00 95 A 8.59 4.21 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 S 7.79 4.58 0.00 3.95 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 97 P 0.00 4.33 0.00 2.11 2.01 0.00 3.61 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.57 0.00 98 G 8.62 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 0.00 0.00 0.00 99 F 7.75 4.77 0.00 3.04 3.05 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 0.00 100 L 8.33 3.00 0.00 1.55 1.72 0.61 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 101 H 7.65 3.97 0.00 2.54 2.89 0.00 5.69 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 0.00 102 E 7.89 4.57 0.00 2.05 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 2.01 2.25 0.00 103 K 8.73 4.25 0.00 1.94 1.82 0.00 1.72 0.00 0.00 1.90 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.51 1.41 7.81 104 K 8.66 4.51 0.00 1.86 1.97 0.00 1.55 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.49 7.81 105 D 8.63 4.62 0.00 2.86 2.66 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 0.00 106 G 9.75 4.49 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 0.00 107 D 8.04 4.46 0.00 3.07 2.82 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 0.00 108 F 8.45 4.22 0.00 3.16 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 0.00 109 Q 8.50 4.18 0.00 2.30 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.69 0.00 0.00 0.00 0.00 0.00 2.60 2.80 0.00 110 K 8.00 4.02 0.00 1.98 1.92 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.72 7.81 111 W 8.17 4.19 0.00 3.44 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 0.00 112 Y 8.44 3.00 0.00 2.44 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 0.00 113 A 7.83 3.88 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 0.00 114 G 7.28 3.48 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 0.00 115 L 6.61 4.16 0.00 1.00 1.35 -0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 116 N 7.38 4.47 0.00 2.29 2.25 0.00 0.00 6.70 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 0.00 117 Y 7.53 4.79 0.00 3.04 2.78 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 0.00 118 P 0.00 4.21 0.00 2.18 2.18 0.00 3.80 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.96 0.00 119 K 8.48 4.37 0.00 1.95 1.94 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.55 7.81 120 L 7.79 4.40 0.00 1.58 1.85 0.73 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 121 P 0.00 3.83 0.00 1.78 0.82 0.00 3.44 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 2.14 1.60 0.00 122 V 8.15 4.60 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 1.27 0.00 0.00 0.95 0.00 0.00 123 V 8.83 4.36 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.89 0.00 0.00 124 T 8.34 4.65 4.12 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 1.24 0.00 0.00 125 D 8.78 4.71 0.00 2.59 2.44 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 0.00 126 N 8.35 4.43 0.00 2.67 2.72 0.00 0.00 7.55 7.98 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 0.00 127 G 8.95 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 0.00 128 G 8.33 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 0.00 0.00 0.00 129 T 7.91 3.67 4.38 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 1.15 0.00 0.00 130 I 8.73 3.64 2.05 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.78 1.12 0.00 0.00 131 A 7.76 3.51 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 0.00 132 Q 7.71 3.86 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.71 0.00 0.00 0.00 0.00 0.00 2.42 1.95 0.00 133 S 7.68 4.07 0.00 3.92 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 0.00 134 L 7.76 4.31 0.00 1.43 1.59 1.04 0.90 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 0.00 135 N 7.92 4.14 0.00 2.81 2.84 0.00 0.00 7.16 7.23 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 0.00 136 I 8.09 3.88 1.61 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 -0.36 0.71 0.00 0.00 137 S 8.47 4.52 0.00 3.83 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 0.00 138 V 7.42 4.46 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 0.81 0.00 0.00 0.99 0.00 0.00 139 Y 8.23 5.03 0.00 2.74 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 5.13 0.00 2.14 2.21 0.00 3.78 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 141 S 8.75 5.37 0.00 3.88 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 0.00 142 W 10.09 5.45 0.00 3.26 3.19 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 0.00 0.00 0.00 0.00 143 A 9.39 5.33 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 0.00 144 L 9.21 5.15 0.00 1.81 1.59 1.06 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 145 I 9.06 4.80 1.92 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 1.38 0.80 1.02 0.00 0.00 146 G 9.36 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 0.00 0.00 0.00 147 K 8.58 4.25 0.00 1.89 2.01 0.00 1.19 0.00 0.00 2.38 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.46 7.81 148 D 8.01 4.50 0.00 2.71 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 G 8.69 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 0.00 150 D 7.80 4.54 0.00 2.86 2.82 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 0.00 151 V 8.34 4.04 2.11 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 0.87 0.00 0.00 0.98 0.00 0.00 152 Q 8.92 4.56 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.47 0.00 0.00 0.00 0.00 0.00 2.47 2.56 0.00 153 R 7.62 4.75 0.00 2.01 1.77 0.00 3.20 0.00 0.00 3.48 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 154 I 8.47 5.11 1.92 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.84 0.96 0.00 0.00 155 V 9.63 4.48 2.28 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 1.06 0.00 0.00 1.01 0.00 0.00 156 K 8.30 4.59 0.00 1.74 1.77 0.00 1.87 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.32 7.81 157 G 8.93 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 S 8.30 4.74 0.00 3.97 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 0.00 159 I 8.18 4.83 1.67 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.38 0.78 0.00 0.00 160 N 8.87 5.16 0.00 3.12 3.10 0.00 0.00 6.77 7.63 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 0.00 161 E 8.97 3.21 0.00 2.16 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.14 0.00 162 A 7.97 3.89 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 0.00 163 Q 8.78 3.90 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.23 2.52 0.00 164 A 7.94 3.70 0.66 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 0.00 0.00 165 L 8.15 3.93 0.00 1.72 1.59 0.70 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 166 A 7.90 3.92 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 0.00 167 L 7.70 3.89 0.00 1.73 1.87 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 168 I 7.47 3.95 2.02 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.11 0.95 0.00 0.00 169 R 7.85 4.22 0.00 1.83 2.10 0.00 3.23 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 170 D 8.38 4.49 0.00 2.70 2.45 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 0.00 171 P 0.00 4.39 0.00 2.10 2.15 0.00 3.71 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 172 N 8.21 4.78 0.00 2.71 2.83 0.00 0.00 6.96 6.96 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 0.00 173 A 7.64 4.07 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 0.00 174 D 8.31 4.64 0.00 2.67 2.65 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 0.00 0.00 0.00 0.00 175 L 8.45 4.13 0.00 1.62 1.55 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00