NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3739 8.3349 115.4118 57.9035 65.1400 173.5107 3 C 4.0895 7.9329 119.5415 58.0520 28.1723 173.2118 4 C 4.4345 8.3773 126.3043 55.5222 42.3851 173.1415 5 S 4.3654 8.2007 122.0381 57.4072 65.0360 175.0772 6 S 4.0685 8.4140 116.8956 61.8262 62.7606 176.7147 7 E 4.0397 8.1575 119.4670 59.0932 29.1756 178.8683 8 D 4.2916 7.6484 119.8843 57.4509 40.9655 178.7568 9 R 3.8784 7.9812 118.2642 59.0555 30.0362 178.9256 10 A 4.0442 8.0585 120.5090 55.3722 18.4390 179.1980 11 N 4.3167 8.0502 115.1215 56.8108 38.8751 177.2733 12 V 3.8415 8.3858 120.0598 66.3135 31.5009 177.9799 13 M 4.1816 8.6871 118.1642 58.4095 31.9252 178.1736 14 H 4.4877 8.3134 118.6527 59.3938 29.8737 176.6375 15 N 4.3712 8.2423 118.4083 56.5571 38.3736 176.8829 16 W 4.4050 8.7199 127.0263 59.1732 30.9436 177.3534 17 D 4.5092 8.4335 117.9317 57.0304 41.2135 176.0897 18 A 4.2418 7.4781 121.8304 51.6364 19.5967 177.1801 19 A 3.7718 8.6322 118.3934 52.4897 16.4621 177.0206 20 W 4.5567 7.7814 124.8372 55.5798 33.5783 174.6428 21 S 4.4292 6.9231 117.4889 56.4239 63.8889 173.5943 22 A 4.5009 8.9041 129.7684 53.3749 19.1016 177.7059 23 A 4.2242 8.0203 118.2034 53.7773 19.6380 177.1353 24 Y 4.5658 7.5191 111.8217 56.0155 40.5418 177.0410 25 S 4.2001 8.5281 118.6261 59.9575 63.4212 175.8859 26 D 4.3545 8.1982 123.3651 56.8271 38.6650 178.6909 27 R 3.7812 7.7006 119.1407 59.1304 30.2466 178.1199 28 R 3.6475 7.7111 117.3612 59.4397 29.8818 179.0264 29 V 3.5194 7.8114 117.4861 65.7813 31.5786 177.7707 30 A 3.9235 7.5378 120.7212 55.1320 18.1717 179.2186 31 L 3.7240 8.0033 118.4277 58.2214 42.1615 178.7024 32 A 3.7786 8.0538 120.5462 55.4385 18.2605 179.2660 33 Q 4.1334 8.7303 116.2417 59.4276 28.7720 179.4957 34 A 3.8063 7.9254 121.3275 55.0492 18.3707 179.7805 35 V 3.0745 7.4127 116.5514 66.1237 31.4110 178.3489 36 F 3.6093 7.9973 117.5631 60.1874 38.6073 176.9473 37 A 3.9775 8.7249 121.4306 55.7251 17.9361 179.7691 38 S 3.9847 8.0633 111.0959 61.9195 62.9844 176.4028 39 L 3.7965 7.3946 123.3307 57.5927 42.1327 178.8057 40 F 4.7319 8.1003 117.7005 60.7950 38.7875 177.6231 41 S 4.0574 8.1288 111.8265 60.4093 61.9625 174.9699 42 R 4.6016 7.5393 116.2978 55.2589 30.0849 175.8582 43 D 4.6714 8.8756 113.1639 53.8754 44.1350 175.9504 44 A 3.9713 7.9396 127.8410 55.3327 19.3372 179.8800 45 A 3.9747 8.3875 117.7542 55.6163 18.7730 179.4735 46 A 4.0628 9.0146 117.9335 55.5286 18.5630 179.3522 47 Q 3.0426 8.0923 117.8712 59.2445 28.7201 179.4043 48 G 3.5714 7.9038 106.1287 47.6590 0.0000 175.5039 49 L 3.9317 7.9272 120.6743 56.7045 41.6551 177.8731 50 F 4.8238 7.7339 116.9106 57.1033 39.3277 178.1657 51 S 4.1171 7.9889 118.8598 61.2373 62.7258 175.5794 52 G 3.7874 8.0333 107.7899 46.7231 0.0000 173.1665 53 V 4.7229 7.8244 119.2192 60.8866 35.2983 176.5325 54 S 4.4200 9.1934 122.9086 57.8379 61.2710 175.9424 55 A 2.7504 7.8480 124.8694 55.1174 18.5495 179.2205 56 D 4.3159 7.9023 114.0111 56.7366 40.9624 176.3773 57 N 4.7906 7.8059 117.0926 49.9276 38.9786 171.3749 58 P 4.0745 0.0000 0.0000 65.3461 31.7708 178.6935 59 D 4.8702 8.1352 112.9205 54.4331 40.7223 175.6696 60 S 4.8401 8.2812 113.0550 55.7493 66.0671 173.7346 61 A 3.9503 8.6843 127.2993 55.9068 17.8574 179.2886 62 D 4.3785 8.1770 114.2822 57.6808 41.3634 178.4976 63 F 4.4447 7.8605 119.2147 61.4440 39.6522 177.5818 64 R 3.7436 8.5538 117.7936 59.2061 29.8538 178.9588 65 A 3.9820 8.4348 121.1637 55.3791 18.3886 179.1429 66 H 4.1405 8.3843 117.1070 59.3044 29.8423 177.2198 67 C 4.0592 7.5769 118.1551 62.8106 27.9871 175.6998 68 V 3.6156 7.5999 119.6201 66.3387 30.9427 177.9261 69 R 4.0093 7.7762 116.9084 59.6611 29.9970 178.9505 70 V 3.7589 7.7913 117.5741 66.0487 31.6670 177.8143 71 V 4.1003 8.5900 118.2876 66.5527 31.3135 177.7789 72 N 4.7603 9.2580 117.0690 56.7536 38.9729 177.0578 73 G 3.7501 8.7824 107.7442 47.8831 0.0000 175.3800 74 L 3.7520 8.5513 123.1175 57.8224 41.9488 178.5889 75 D 4.0477 8.0977 117.9707 57.0164 40.8818 178.3748 76 V 3.5597 7.9710 118.5262 65.4847 31.7928 177.5656 77 A 4.0470 7.6671 120.5595 54.9059 17.9284 179.5391 78 I 3.3811 7.7897 118.6513 64.3740 36.8392 177.9201 79 N 4.4753 7.5955 115.4177 55.0290 38.7808 176.3992 80 M 4.2235 7.7949 119.5166 55.9182 32.2405 177.4435 81 L 3.2879 6.9921 119.8248 57.6198 42.2025 177.5375 82 N 4.7380 7.9671 113.3406 52.9609 41.1532 174.3079 83 D 4.8978 8.3475 121.3665 52.5527 40.9185 174.3135 84 P 4.0201 0.0000 0.0000 65.3706 31.7579 177.4319 85 A 3.9384 7.9278 118.2731 55.5236 18.5453 179.3765 86 V 3.5961 7.9460 115.5330 66.0868 31.7536 177.4815 87 L 3.7841 7.6345 119.9596 58.4437 41.8088 178.4499 88 N 4.1386 8.2846 116.4385 56.5660 38.5745 176.6814 89 E 3.8777 8.1337 120.1267 59.4020 29.6851 178.5510 90 Q 3.8840 7.8805 118.7435 59.2844 29.2572 177.8578 91 L 3.9070 8.3937 119.9647 57.7171 41.6907 179.2543 92 A 3.9293 8.5222 121.0695 56.3816 18.4442 178.3248 93 H 3.9650 8.9561 116.4254 58.9473 29.4399 177.0792 94 L 4.1294 8.6466 123.5107 58.5295 42.1791 179.2142 95 S 4.3342 9.0332 114.3612 60.6009 62.2828 175.7146 96 A 4.1017 8.3471 123.1753 55.7919 17.9267 179.7318 97 Q 3.9707 7.7928 115.0279 59.3553 29.0486 178.2171 98 H 4.4580 8.8255 117.4999 58.3836 28.6273 177.8336 99 Q 4.0773 8.0324 118.9152 58.6682 28.7587 177.7460 100 A 4.4398 7.9497 118.3111 52.3937 18.4099 177.3400 101 R 4.2581 7.4733 117.4312 53.7468 30.6510 175.7271 102 A 3.9605 8.5114 126.5675 53.3540 19.7601 174.2483 103 G 3.8956 10.2417 113.5713 45.2069 0.0000 175.3951 104 V 3.5259 7.7392 121.1996 60.5091 31.9493 175.9132 105 A 4.8537 8.3310 126.8823 49.9871 22.3187 176.5709 106 A 3.8288 8.4199 121.5469 55.3263 19.1313 179.8123 107 A 4.2450 8.3557 118.4588 55.5040 18.3672 179.2184 108 H 3.9933 8.3357 114.1870 59.5889 28.8735 177.4865 109 F 4.2651 9.0280 118.6094 59.7549 38.8008 177.2186 110 D 4.5748 9.3411 120.5287 56.9355 40.7658 178.8245 111 V 4.0374 7.7719 119.8297 65.7239 31.6951 177.6698 112 M 4.0788 8.3723 117.7689 58.4626 31.9978 177.8086 113 A 3.7557 8.1831 121.4931 55.1320 18.2653 179.4496 114 E 3.9904 8.5984 115.2106 58.8667 29.6154 179.0274 115 A 4.0624 7.8759 123.7928 54.6550 18.3980 179.3757 116 F 3.8061 8.2007 115.5107 60.6921 38.9125 177.7292 117 A 3.9165 7.8982 118.7720 54.8508 18.0565 178.4665 118 E 4.1381 7.7403 116.4680 58.2056 30.3946 177.9889 119 V 3.5970 7.2324 117.7592 65.7457 31.6711 177.3874 120 M 3.5098 7.6340 118.7154 58.0683 31.5091 177.0146 121 P 3.9511 0.0000 0.0000 64.6143 31.5711 177.4088 122 Q 4.3289 7.7407 115.5317 55.8415 29.2121 175.9836 123 V 4.1150 8.1259 119.6623 62.9025 33.6412 175.6207 124 S 4.7841 7.5733 113.1520 55.9750 64.8106 173.8991 125 S 4.3065 8.5698 118.7883 59.1618 63.7127 173.1400 126 C 4.2299 8.7351 114.8019 58.6664 28.4587 173.2968 127 F 4.1678 8.3734 120.5816 59.7704 39.8716 175.3094 128 S 4.3691 8.0455 123.7475 56.0757 62.6471 174.8970 129 S 4.0212 8.0153 124.6162 62.3602 62.5140 175.8744 130 D 4.4138 8.1667 122.5557 57.1857 40.6103 179.3892 131 S 4.2118 7.9657 114.6105 61.2686 62.7673 176.5009 132 W 4.1389 8.0719 130.7417 60.6018 30.1842 177.9369 133 N 4.2262 9.0937 116.9062 56.1735 37.4169 177.4969 134 R 3.9331 8.3311 120.4932 59.5481 30.2237 177.7521 135 C 4.2724 8.2200 115.9476 59.1932 39.0796 175.7248 136 F 3.1782 8.5435 123.0536 60.9098 38.6497 176.8524 137 A 3.9703 7.8761 119.3957 55.1132 18.0299 179.6898 138 R 3.5824 7.2973 115.1829 59.4981 30.7347 178.3569 139 I 3.6438 7.4742 119.2821 63.9598 37.2602 177.8494 140 A 3.8172 7.6395 121.7395 55.4783 18.3120 179.1137 141 N 4.1703 8.5915 115.2778 56.7252 38.4166 177.8123 142 G 3.5159 7.5502 105.2225 47.6473 0.0000 175.5744 143 I 3.8444 7.2235 121.7459 63.9388 37.5613 177.9624 144 S 3.6566 7.6609 113.5184 58.3431 62.9892 173.9798 145 A 4.0609 7.0740 126.6833 53.3412 18.5403 177.5918 146 G 3.8765 8.8021 109.4829 45.8583 0.0000 173.4852 147 L 4.2759 7.6575 126.5467 54.8187 42.1500 175.9943 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 2 S 8.33 4.37 0.00 3.98 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 3 C 7.93 4.09 0.00 3.05 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 4 C 8.38 4.43 0.00 2.96 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 5 S 8.20 4.37 0.00 4.19 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 6 S 8.41 4.07 0.00 3.87 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 7 E 8.16 4.04 0.00 2.15 2.21 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 2.35 2.34 0.00 8 D 7.65 4.29 0.00 2.91 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 9 R 7.98 3.88 0.00 1.84 1.92 0.00 3.04 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.94 0.00 10 A 8.06 4.04 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 11 N 8.05 4.32 0.00 3.05 3.00 0.00 0.00 6.94 7.05 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 12 V 8.39 3.84 2.29 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 1.16 0.00 0.00 1.11 0.00 0.00 13 M 8.69 4.18 0.00 2.03 2.33 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.66 0.00 14 H 8.31 4.49 0.00 3.41 3.49 0.00 5.64 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 15 N 8.24 4.37 0.00 3.39 3.28 0.00 0.00 6.78 7.73 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 16 W 8.72 4.41 0.00 3.74 3.30 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 17 D 8.43 4.51 0.00 3.01 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 7.48 4.24 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 19 A 8.63 3.77 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 20 W 7.78 4.56 0.00 2.87 2.99 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 21 S 6.92 4.43 0.00 3.66 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.90 4.50 1.55 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 0.00 0.00 23 A 8.02 4.22 1.37 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 0.00 0.00 24 Y 7.52 4.57 0.00 2.89 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 25 S 8.53 4.20 0.00 3.99 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 26 D 8.20 4.35 0.00 2.88 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 27 R 7.70 3.78 0.00 1.75 1.70 0.00 3.06 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 28 R 7.71 3.65 0.00 1.83 1.83 0.00 2.88 0.00 0.00 3.00 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.04 0.00 29 V 7.81 3.52 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 1.00 0.00 0.00 0.94 0.00 0.00 30 A 7.54 3.92 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 31 L 8.00 3.72 0.00 1.66 1.82 0.85 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.05 3.78 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 33 Q 8.73 4.13 0.00 2.22 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.51 2.64 0.00 34 A 7.93 3.81 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 35 V 7.41 3.07 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 -0.24 0.00 0.00 0.12 0.00 0.00 36 F 8.00 3.61 0.00 3.11 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.72 3.98 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 38 S 8.06 3.98 0.00 4.02 4.08 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 39 L 7.39 3.80 0.00 1.49 1.46 1.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.10 4.73 0.00 3.14 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 41 S 8.13 4.06 0.00 4.04 4.08 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 42 R 7.54 4.60 0.00 1.95 1.98 0.00 3.19 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.58 0.00 43 D 8.88 4.67 0.00 2.75 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.94 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 45 A 8.39 3.97 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 46 A 9.01 4.06 1.73 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 47 Q 8.09 3.04 0.00 1.31 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 1.86 1.16 0.00 48 G 7.90 3.57 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 0.00 49 L 7.93 3.93 0.00 1.02 1.20 0.76 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 50 F 7.73 4.82 0.00 3.18 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 51 S 7.99 4.12 0.00 3.96 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 52 G 8.03 3.79 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 0.00 0.00 0.00 53 V 7.82 4.72 2.38 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 1.17 0.00 0.00 0.98 0.00 0.00 54 S 9.19 4.42 0.00 3.96 3.81 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 55 A 7.85 2.75 1.11 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 0.00 0.00 56 D 7.90 4.32 0.00 2.55 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 57 N 7.81 4.79 0.00 2.51 2.62 0.00 0.00 7.18 7.73 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 58 P 0.00 4.07 0.00 2.24 2.23 0.00 3.57 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 59 D 8.14 4.87 0.00 2.66 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 60 S 8.28 4.84 0.00 4.09 4.20 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 61 A 8.68 3.95 1.37 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 0.00 0.00 62 D 8.18 4.38 0.00 2.70 2.84 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 63 F 7.86 4.44 0.00 3.25 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 64 R 8.55 3.74 0.00 1.87 1.98 0.00 3.24 0.00 0.00 3.38 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.93 0.00 65 A 8.43 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 66 H 8.38 4.14 0.00 3.21 3.20 0.00 5.80 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 C 7.58 4.06 0.00 3.15 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 68 V 7.60 3.62 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 1.08 0.00 0.00 0.92 0.00 0.00 69 R 7.78 4.01 0.00 2.11 2.04 0.00 3.26 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.86 0.00 70 V 7.79 3.76 2.38 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 1.14 0.00 0.00 1.06 0.00 0.00 71 V 8.59 4.10 2.38 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 1.45 0.00 0.00 1.27 0.00 0.00 72 N 9.26 4.76 0.00 3.08 3.19 0.00 0.00 7.08 8.52 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 73 G 8.78 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 74 L 8.55 3.75 0.00 1.85 1.48 0.46 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 75 D 8.10 4.05 0.00 3.04 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 76 V 7.97 3.56 2.22 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 0.84 0.00 0.00 1.04 0.00 0.00 77 A 7.67 4.05 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 I 7.79 3.38 1.35 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.53 0.67 0.00 0.00 79 N 7.60 4.48 0.00 2.53 2.81 0.00 0.00 7.02 8.20 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 80 M 7.79 4.22 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.47 0.00 81 L 6.99 3.29 0.00 1.67 1.64 0.76 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 82 N 7.97 4.74 0.00 2.68 2.81 0.00 0.00 6.66 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 83 D 8.35 4.90 0.00 2.53 2.47 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 84 P 0.00 4.02 0.00 2.16 2.03 0.00 3.63 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 2.08 2.15 0.00 85 A 7.93 3.94 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 86 V 7.95 3.60 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.94 0.00 0.00 87 L 7.63 3.78 0.00 1.74 1.80 0.83 0.58 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 88 N 8.28 4.14 0.00 2.91 2.84 0.00 0.00 6.74 8.21 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 89 E 8.13 3.88 0.00 2.20 1.93 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 2.29 2.36 0.00 90 Q 7.88 3.88 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.64 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 91 L 8.39 3.91 0.00 1.59 1.61 0.84 0.79 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 92 A 8.52 3.93 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 93 H 8.96 3.97 0.00 3.33 3.44 0.00 5.83 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 L 8.65 4.13 0.00 1.87 1.79 0.92 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 95 S 9.03 4.33 0.00 4.04 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 96 A 8.35 4.10 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 97 Q 7.79 3.97 0.00 2.32 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.97 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 98 H 8.83 4.46 0.00 3.46 3.57 0.00 5.81 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 8.03 4.08 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.11 0.00 0.00 0.00 0.00 0.00 2.38 2.67 0.00 100 A 7.95 4.44 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 0.00 101 R 7.47 4.26 0.00 1.98 1.87 0.00 3.22 0.00 0.00 3.38 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 102 A 8.51 3.96 1.25 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 0.00 0.00 0.00 103 G 10.24 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 0.00 0.00 0.00 104 V 7.74 3.53 2.12 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 0.88 0.00 0.00 1.21 0.00 0.00 105 A 8.33 4.85 1.26 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 0.00 0.00 106 A 8.42 3.83 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 0.00 107 A 8.36 4.25 1.37 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 0.00 0.00 108 H 8.34 3.99 0.00 3.61 3.42 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 F 9.03 4.27 0.00 3.35 3.25 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 0.00 110 D 9.34 4.57 0.00 2.79 2.80 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 0.00 0.00 0.00 0.00 111 V 7.77 4.04 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 1.27 0.00 0.00 1.05 0.00 0.00 112 M 8.37 4.08 0.00 2.40 2.06 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.08 2.77 0.00 113 A 8.18 3.76 1.59 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 0.00 0.00 114 E 8.60 3.99 0.00 2.23 2.26 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 2.68 2.44 0.00 115 A 7.88 4.06 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 0.00 116 F 8.20 3.81 0.00 3.01 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 0.00 117 A 7.90 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 118 E 7.74 4.14 0.00 1.99 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 0.00 2.17 2.23 0.00 119 V 7.23 3.60 1.85 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 0.98 0.00 0.00 0.78 0.00 0.00 120 M 7.63 3.51 0.00 0.51 0.70 0.00 0.00 0.00 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.33 0.00 121 P 0.00 3.95 0.00 1.87 2.09 0.00 3.41 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.81 0.00 122 Q 7.74 4.33 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.73 0.00 0.00 0.00 0.00 0.00 2.23 2.46 0.00 123 V 8.13 4.11 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 0.69 0.00 0.00 0.86 0.00 0.00 124 S 7.57 4.78 0.00 4.13 3.83 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 0.00 125 S 8.57 4.31 0.00 4.01 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 0.00 126 C 8.74 4.23 0.00 3.21 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 0.00 127 F 8.37 4.17 0.00 3.04 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 S 8.05 4.37 0.00 3.96 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 0.00 129 S 8.02 4.02 0.00 4.18 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 0.00 130 D 8.17 4.41 0.00 2.72 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 0.00 131 S 7.97 4.21 0.00 3.95 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 0.00 132 W 8.07 4.14 0.00 3.54 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 0.00 133 N 9.09 4.23 0.00 2.98 2.94 0.00 0.00 6.68 7.55 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 0.00 134 R 8.33 3.93 0.00 2.15 1.89 0.00 3.12 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.61 0.00 135 C 8.22 4.27 0.00 2.80 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 0.00 136 F 8.54 3.18 0.00 2.06 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 0.00 137 A 7.88 3.97 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 0.00 138 R 7.30 3.58 0.00 1.73 2.03 0.00 3.21 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 139 I 7.47 3.64 1.37 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.79 0.55 0.00 0.00 140 A 7.64 3.82 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 0.00 141 N 8.59 4.17 0.00 2.67 2.80 0.00 0.00 6.97 8.18 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 0.00 142 G 7.55 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 0.00 143 I 7.22 3.84 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 1.63 0.66 0.87 0.00 0.00 144 S 7.66 3.66 0.00 3.53 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 A 7.07 4.06 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 0.00 146 G 8.80 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 0.00 147 L 7.66 4.28 0.00 1.56 1.61 1.08 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00