NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2345 8.1749 110.9379 61.1166 70.7621 173.2045 3 T 4.0442 7.6728 120.0944 61.5185 68.9421 172.0730 4 I 3.7705 9.2013 129.7493 61.4612 37.6191 174.9653 5 N 4.4604 9.0117 123.8598 52.0647 38.6163 173.9461 6 P 4.2501 0.0000 0.0000 62.8027 32.2178 175.4191 7 T 4.3487 8.0241 110.3583 59.9075 70.9475 175.6495 8 N 4.6018 8.3532 126.4699 52.2215 35.6883 174.5033 9 Y 4.1642 7.5472 122.3366 61.4301 38.3533 178.3802 10 T 3.8656 8.0426 115.9744 66.8315 68.5354 176.0046 11 L 3.9489 7.8383 121.2973 57.9384 42.2084 178.3168 12 L 4.0090 7.8811 120.2918 58.4723 42.0324 179.3563 13 K 4.2684 8.7418 118.2573 58.9698 31.8881 179.4164 14 K 3.9702 7.7502 120.4902 59.5697 32.1806 178.9870 15 Q 4.0136 8.9428 119.1559 58.6208 28.6854 178.5996 16 A 3.9575 8.5433 122.0851 55.1177 18.2969 179.4948 17 A 3.9283 7.6724 117.7391 55.3256 18.6549 179.3403 18 S 4.1650 7.9671 111.5884 61.5781 62.2359 175.9769 19 L 4.0025 7.8455 121.7980 57.4907 42.1341 178.1224 20 I 4.3115 7.3413 110.0073 59.6094 38.0132 174.8344 21 E 4.0582 7.2614 121.5227 58.0266 29.8308 176.9014 22 D 4.5800 8.7380 122.9863 54.6559 38.9279 173.4001 23 E 4.7193 7.7215 118.4554 55.0861 31.2103 175.5416 24 H 4.8558 8.5204 116.6429 54.7458 31.2025 173.5313 25 H 4.3712 8.0948 120.3803 55.3610 30.3116 174.4215 26 M 3.8209 8.5543 128.3666 59.1680 31.9964 177.9719 27 I 3.6469 7.6027 118.7136 64.2129 37.2231 178.1277 28 A 3.9226 8.1495 120.9571 55.2272 18.2896 179.3489 29 I 3.5729 7.5878 118.2131 64.6015 37.1262 178.6132 30 L 3.3271 8.0938 119.8096 57.6939 41.5155 179.5558 31 S 4.1037 8.3381 115.2978 62.0126 62.7711 176.6794 32 N 4.3608 8.4239 119.0571 56.5373 38.2372 177.5652 33 M 4.1261 8.3144 120.5601 58.3764 32.1075 178.7884 34 S 4.2345 8.7075 114.6285 61.4509 62.9928 176.5586 35 A 3.8926 7.9254 123.8524 54.6792 17.9473 179.1202 36 L 3.8568 7.9373 117.8664 58.5139 42.5842 178.7844 37 L 4.1338 8.3745 119.0863 58.0184 41.3707 179.1925 38 N 4.3522 8.0388 115.6513 56.4461 38.9241 176.0144 39 D 4.6533 7.8938 118.6675 55.3002 41.1245 176.6488 40 N 4.9424 7.6578 115.2263 52.4295 39.5863 174.0513 41 L 4.5595 7.7749 117.7770 52.8953 44.0576 175.9439 42 D 4.4504 8.5721 123.2545 54.3344 42.6002 175.2852 43 Q 3.4327 8.5628 122.9188 56.4625 26.7895 172.1595 44 I 4.8077 7.1372 110.6352 59.7600 41.0407 174.9147 45 N 5.1582 8.5855 116.4840 51.9168 38.6412 173.9392 46 W 4.8911 8.0099 126.8772 56.9187 34.4398 173.4367 47 V 4.7411 7.6500 126.8322 61.0662 34.2236 173.7162 48 G 3.5999 8.5682 113.1725 45.7457 0.0000 171.4744 49 F 5.6558 8.6493 117.5661 56.1045 43.8367 173.6764 50 Y 5.0576 8.9599 118.6736 56.2534 41.4293 174.6024 51 L 5.2126 9.1634 122.5370 52.8474 45.0042 175.6147 52 L 4.8677 8.4808 125.6497 54.5797 42.3872 176.0395 53 E 4.6335 9.3801 126.2200 56.1705 33.8725 175.7096 54 Q 3.1580 9.5065 121.0228 57.6609 26.7289 173.1714 55 N 4.1136 7.9676 109.0329 53.7792 37.7717 171.8903 56 E 4.8627 7.3678 112.5469 56.0959 34.0135 175.8904 57 L 5.1292 8.0586 120.7168 53.7768 43.6162 176.0202 58 I 5.1821 8.9677 124.3653 58.9258 40.8918 174.6975 59 L 3.3421 8.8425 129.0122 56.1889 42.2781 176.5439 60 G 4.5030 8.5380 115.1789 43.9917 0.0000 170.8937 61 P 4.6207 0.0000 0.0000 63.4651 32.4753 175.5510 62 F 4.8161 7.6185 115.6646 56.4133 40.5172 172.8155 63 Q 4.2236 9.6670 118.7112 53.3048 31.1566 176.3273 64 G 3.8423 8.1125 111.9218 45.6586 0.0000 171.6471 65 H 4.8251 8.6652 118.7876 53.9233 30.1385 173.2331 66 P 4.6641 0.0000 0.0000 63.3863 31.5943 175.5386 67 A 4.6515 8.0742 122.2083 49.9593 22.4389 176.0537 68 S 4.2228 8.3617 115.4408 59.2952 63.4692 175.2442 69 V 3.9895 8.5552 124.2989 65.0466 32.7606 175.1796 70 H 5.4615 8.2032 116.3575 53.9584 31.2966 174.1936 71 I 4.5140 8.7390 123.5761 58.5094 40.4925 173.3176 72 P 4.6384 0.0000 0.0000 62.2824 32.6001 176.1767 73 I 3.8175 8.2230 122.4745 62.9618 37.4625 176.9193 74 G 3.9098 8.9753 112.8208 45.2862 0.0000 173.0074 75 K 4.3144 7.8033 121.4081 55.2889 34.3625 177.1251 76 G 4.2787 8.5730 114.7811 45.1479 0.0000 173.6951 77 V 3.6348 8.1676 116.3133 65.9140 31.2381 178.3725 78 C 4.1136 7.8503 116.1944 62.8423 28.1159 176.0573 79 G 3.9696 7.8589 108.0146 47.6011 0.0000 175.5896 80 T 4.2401 8.1814 118.5171 65.7603 68.5128 176.8369 81 A 4.2767 8.1366 124.0596 54.1181 18.3188 180.1346 82 V 3.5493 7.5744 118.1622 64.9217 31.8217 178.8902 83 S 4.1772 8.1556 114.2693 59.9642 62.8392 174.9827 84 E 4.5491 7.9045 117.4283 55.5160 30.5698 175.9276 85 R 4.0330 8.1329 115.1634 55.4503 29.3270 175.8987 86 R 4.8059 7.2784 113.0729 55.4184 32.9092 174.5773 87 T 4.2993 8.4719 116.0745 64.2393 69.5672 173.9097 88 Q 4.4210 9.1507 124.4784 54.3567 31.2201 175.0281 89 V 4.2957 8.3413 125.4309 61.4123 32.6731 175.5297 90 V 4.1101 8.7229 130.2611 61.0012 32.1784 175.9008 91 A 3.9604 8.6804 131.4525 54.4159 19.3493 175.6409 92 D 4.8250 7.9417 114.4821 51.7830 41.8103 175.4168 93 V 3.2731 9.1284 126.7345 65.6939 32.0065 178.2645 94 H 4.2027 8.0611 116.3301 59.0055 28.4811 176.6816 95 Q 4.1641 7.7188 113.5651 56.9462 28.4774 175.5411 96 F 4.2826 7.7324 122.4820 57.5972 39.3942 176.5838 97 K 3.5582 8.2737 129.0732 55.4625 31.0190 174.4742 98 G 4.0622 8.4292 107.8068 47.0197 0.0000 172.3786 99 H 4.9917 8.3737 114.1841 55.2176 30.0809 175.1357 100 I 4.0067 7.5750 114.6098 60.3999 38.9132 175.9375 101 A 4.0657 8.6883 123.3369 54.7805 18.4291 177.8052 102 C 4.5378 8.2112 111.2134 58.0577 29.8315 173.8081 103 D 5.1153 7.8713 118.3585 53.9075 40.3013 178.6734 104 A 4.5092 7.1161 123.3924 53.2776 17.6987 178.8118 105 N 4.7746 8.9035 114.4991 55.6898 38.5597 174.5906 106 S 4.9683 7.8837 114.6878 56.8252 63.1975 173.1951 107 K 4.2641 9.3102 127.8410 58.1669 33.2997 176.6474 108 S 5.0473 7.4189 112.9390 56.5933 66.9869 172.2353 109 E 5.1634 8.9254 118.3612 55.9353 33.7635 174.1201 110 I 4.9447 7.6851 122.9263 59.2789 41.9120 173.7998 111 V 4.7983 8.6485 128.4302 61.0427 34.6698 174.0075 112 V 4.7115 8.4904 128.2681 60.1608 33.3742 173.2292 113 P 4.7324 0.0000 0.0000 63.0376 32.3225 175.5459 114 I 4.7598 8.5359 122.1047 59.6658 40.0187 174.7195 115 F 5.4905 10.2268 125.2943 55.6084 42.9222 175.0908 116 K 4.3825 8.9392 122.0481 55.6195 34.0915 176.1141 117 D 4.6172 9.5546 127.8431 55.7931 37.9913 174.9387 118 D 4.5523 8.4202 116.2757 54.3453 39.4508 174.3036 119 K 4.6485 7.7059 120.6022 54.4080 33.7064 175.4135 120 I 3.9340 8.3596 126.5866 61.3144 37.3536 175.8468 121 I 4.2719 8.4987 118.6203 59.9367 39.2045 175.5451 122 G 4.3427 6.9529 107.4797 46.2532 0.0000 171.4064 123 V 4.9666 7.8239 110.7619 59.8955 36.8239 173.9691 124 L 4.8648 8.9227 125.0327 53.5518 44.0992 174.6016 125 D 5.2905 9.0488 125.7864 52.5432 44.5518 174.2375 126 I 5.2160 8.4226 125.8192 59.8369 40.9072 174.4159 127 D 5.3865 9.7999 126.9398 53.0348 43.8259 175.3823 128 A 5.0418 8.3607 120.5073 49.7223 22.6817 175.0617 129 P 5.2696 0.0000 0.0000 63.0707 31.8993 175.4932 130 I 4.8481 7.4270 113.7521 59.4462 41.5254 174.6165 131 T 4.2851 8.4484 112.3404 61.6530 70.0705 173.6977 132 D 4.4329 8.8876 120.2549 55.2874 39.1780 176.3003 133 R 3.5980 7.6313 121.3328 58.2277 30.1015 176.8000 134 F 5.3520 7.1477 113.2348 55.6116 41.2561 174.1474 135 D 5.0590 9.5487 123.7531 50.7346 42.6476 175.6272 136 D 4.3797 8.8885 117.5277 58.0371 40.5066 178.9172 137 N 4.1814 8.7293 117.3896 56.6613 38.9426 176.6091 138 D 4.1196 8.2954 119.7840 57.2347 40.9750 178.1395 139 K 3.7942 8.2599 120.3405 59.9789 31.8590 177.9178 140 E 3.8481 8.0410 117.2786 60.1370 29.7495 178.9527 141 H 4.2525 7.7295 115.4226 58.9913 28.8293 178.0373 142 L 4.0988 8.4196 121.1062 57.8000 41.2799 179.3356 143 E 4.1170 8.3796 118.1058 58.7214 29.3778 179.0153 144 A 4.0609 7.9488 121.3829 54.7759 18.3400 179.7924 145 I 3.6693 7.5854 118.0575 64.7141 37.3358 178.5998 146 V 3.6468 7.7890 118.7991 65.8713 31.2292 177.9752 147 K 3.9880 7.8293 119.7491 59.4219 31.8104 178.9455 148 I 3.7951 7.5220 119.4178 64.1951 37.3029 178.3046 149 I 3.8640 8.0030 120.9783 64.5095 37.0017 178.1103 150 E 4.0131 8.7602 119.7832 59.6028 29.0334 179.6893 151 K 3.9867 7.9402 117.5431 59.5499 32.2031 178.9779 152 Q 4.1134 7.9714 116.6297 57.6451 28.8209 177.3945 153 L 4.4408 7.6356 117.7153 55.3490 42.6379 176.6270 154 A 4.3170 7.9987 125.1325 52.5374 18.4943 176.8837 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 T 8.17 4.23 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 1.21 0.00 0.00 3 T 7.67 4.04 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 1.20 0.00 0.00 4 I 9.20 3.77 1.84 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 1.36 0.43 0.87 0.00 0.00 5 N 9.01 4.46 0.00 2.70 2.75 0.00 0.00 6.97 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 P 0.00 4.25 0.00 2.01 2.03 0.00 3.61 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 7 T 8.02 4.35 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 1.11 0.00 0.00 8 N 8.35 4.60 0.00 2.77 2.70 0.00 0.00 7.16 7.56 0.00 0.00 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 Y 7.55 4.16 0.00 2.78 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 10 T 8.04 3.87 4.26 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 1.23 0.00 0.00 11 L 7.84 3.95 0.00 1.75 1.83 0.92 0.47 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 12 L 7.88 4.01 0.00 1.68 1.85 1.02 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.74 4.27 0.00 1.84 1.89 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.67 7.81 14 K 7.75 3.97 0.00 2.09 1.82 0.00 1.54 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.53 7.81 15 Q 8.94 4.01 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 16 A 8.54 3.96 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 17 A 7.67 3.93 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 18 S 7.97 4.16 0.00 4.02 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 19 L 7.85 4.00 0.00 1.82 1.95 0.91 0.95 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 20 I 7.34 4.31 1.83 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 1.57 0.50 0.94 0.00 0.00 21 E 7.26 4.06 0.00 2.08 1.95 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 2.32 2.28 0.00 22 D 8.74 4.58 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 23 E 7.72 4.72 0.00 2.05 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 2.43 2.37 0.00 24 H 8.52 4.86 0.00 3.06 3.28 0.00 5.89 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 H 8.09 4.37 0.00 3.20 3.17 0.00 5.70 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 M 8.55 3.82 0.00 2.00 1.98 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 2.57 2.54 0.00 27 I 7.60 3.65 2.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.66 0.91 0.00 0.00 28 A 8.15 3.92 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 29 I 7.59 3.57 1.93 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 1.47 0.66 0.81 0.00 0.00 30 L 8.09 3.33 0.00 1.57 1.44 0.33 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.34 4.10 0.00 3.91 3.86 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 32 N 8.42 4.36 0.00 2.81 2.85 0.00 0.00 7.15 8.40 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 33 M 8.31 4.13 0.00 2.24 2.34 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.78 0.00 34 S 8.71 4.23 0.00 4.14 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 35 A 7.93 3.89 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 36 L 7.94 3.86 0.00 1.69 1.91 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.37 4.13 0.00 2.00 1.71 0.99 0.62 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 38 N 8.04 4.35 0.00 2.80 2.98 0.00 0.00 7.29 8.09 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 39 D 7.89 4.65 0.00 2.83 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 40 N 7.66 4.94 0.00 2.65 2.68 0.00 0.00 6.74 7.39 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 41 L 7.77 4.56 0.00 1.67 1.63 1.02 1.06 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 42 D 8.57 4.45 0.00 2.59 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 43 Q 8.56 3.43 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.55 0.00 0.00 0.00 0.00 0.00 2.19 2.34 0.00 44 I 7.14 4.81 2.22 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 1.68 0.73 1.13 0.00 0.00 45 N 8.59 5.16 0.00 2.79 2.97 0.00 0.00 6.70 8.40 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 46 W 8.01 4.89 0.00 3.38 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 47 V 7.65 4.74 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 0.70 0.00 0.00 0.80 0.00 0.00 48 G 8.57 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 49 F 8.65 5.66 0.00 2.99 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 50 Y 8.96 5.06 0.00 3.05 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 51 L 9.16 5.21 0.00 1.58 1.57 0.94 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.48 4.87 0.00 1.66 1.60 0.93 0.74 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 53 E 9.38 4.63 0.00 1.99 1.78 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 2.24 2.29 0.00 54 Q 9.51 3.16 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.84 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 55 N 7.97 4.11 0.00 2.80 2.83 0.00 0.00 7.14 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 7.37 4.86 0.00 2.09 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 2.30 2.20 0.00 57 L 8.06 5.13 0.00 1.75 1.65 0.77 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 58 I 8.97 5.18 1.94 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 1.19 0.99 0.92 0.00 0.00 59 L 8.84 3.34 0.00 1.71 1.61 0.61 1.24 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 60 G 8.54 4.50 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 0.00 61 P 0.00 4.62 0.00 2.16 1.97 0.00 3.69 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 62 F 7.62 4.82 0.00 1.65 2.49 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 63 Q 9.67 4.22 0.00 1.77 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.92 0.00 0.00 0.00 0.00 0.00 2.14 2.42 0.00 64 G 8.11 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 H 8.67 4.83 0.00 3.30 3.41 0.00 5.92 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 P 0.00 4.66 0.00 2.15 2.15 0.00 3.80 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.28 0.00 67 A 8.07 4.65 0.77 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 68 S 8.36 4.22 0.00 3.84 3.82 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 69 V 8.56 3.99 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 0.86 0.00 0.00 0.97 0.00 0.00 70 H 8.20 5.46 0.00 3.03 3.43 0.00 5.89 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.74 4.51 1.56 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.50 0.71 0.00 0.00 72 P 0.00 4.64 0.00 2.09 2.16 0.00 3.65 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.98 0.00 73 I 8.22 3.82 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 1.34 0.80 0.90 0.00 0.00 74 G 8.98 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 K 7.80 4.31 0.00 1.78 1.82 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.28 1.31 7.81 76 G 8.57 4.28 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 0.00 77 V 8.17 3.63 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 0.78 0.00 0.00 0.52 0.00 0.00 78 C 7.85 4.11 0.00 2.71 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.86 3.97 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 0.00 80 T 8.18 4.24 4.53 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 1.39 0.00 0.00 81 A 8.14 4.28 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 82 V 7.57 3.55 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.91 0.00 0.00 83 S 8.16 4.18 0.00 4.03 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 0.00 84 E 7.90 4.55 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.22 0.00 85 R 8.13 4.03 0.00 2.47 2.27 0.00 3.21 0.00 0.00 3.24 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 86 R 7.28 4.81 0.00 1.99 2.06 0.00 3.00 0.00 0.00 3.37 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 87 T 8.47 4.30 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 88 Q 9.15 4.42 0.00 1.81 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.62 0.00 89 V 8.34 4.30 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 0.82 0.00 0.00 0.91 0.00 0.00 90 V 8.72 4.11 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 0.66 0.00 0.00 0.32 0.00 0.00 91 A 8.68 3.96 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 92 D 7.94 4.82 0.00 2.68 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 93 V 9.13 3.27 2.15 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 0.83 0.00 0.00 0.87 0.00 0.00 94 H 8.06 4.20 0.00 3.46 3.29 0.00 5.71 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 7.72 4.16 0.00 2.09 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.80 0.00 0.00 0.00 0.00 0.00 2.57 2.38 0.00 96 F 7.73 4.28 0.00 3.06 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 97 K 8.27 3.56 0.00 1.93 1.77 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.04 1.00 7.81 98 G 8.43 4.06 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 0.00 0.00 0.00 99 H 8.37 4.99 0.00 3.04 3.29 0.00 5.90 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 0.00 100 I 7.57 4.01 1.87 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 1.35 0.88 0.92 0.00 0.00 101 A 8.69 4.07 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 0.00 102 C 8.21 4.54 0.00 3.08 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 0.00 103 D 7.87 5.12 0.00 2.85 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 0.00 104 A 7.12 4.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 N 8.90 4.77 0.00 2.87 2.85 0.00 0.00 6.41 7.57 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 0.00 106 S 7.88 4.97 0.00 4.02 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 0.00 107 K 9.31 4.26 0.00 1.86 1.87 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.41 1.62 7.81 108 S 7.42 5.05 0.00 3.99 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 0.00 109 E 8.93 5.16 0.00 2.09 1.66 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 1.97 2.30 0.00 110 I 7.69 4.94 1.33 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.25 -0.20 0.00 0.00 111 V 8.65 4.80 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 0.98 0.00 0.00 0.78 0.00 0.00 112 V 8.49 4.71 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 1.08 0.00 0.00 0.89 0.00 0.00 113 P 0.00 4.73 0.00 1.56 1.90 0.00 3.80 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.20 0.00 114 I 8.54 4.76 1.85 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.15 0.95 0.00 0.00 115 F 10.23 5.49 0.00 2.77 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 0.00 116 K 8.94 4.38 0.00 1.73 1.66 0.00 1.80 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.35 1.41 7.81 117 D 9.55 4.62 0.00 2.90 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 0.00 118 D 8.42 4.55 0.00 2.86 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 0.00 119 K 7.71 4.65 0.00 1.93 1.72 0.00 1.62 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.47 7.81 120 I 8.36 3.93 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 0.64 0.50 0.77 0.00 0.00 121 I 8.50 4.27 1.86 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 1.37 0.81 0.92 0.00 0.00 122 G 6.95 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 V 7.82 4.97 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 0.79 0.00 0.00 1.03 0.00 0.00 124 L 8.92 4.86 0.00 1.86 1.68 0.48 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 125 D 9.05 5.29 0.00 2.89 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 0.00 126 I 8.42 5.22 1.52 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 1.15 0.87 1.08 0.00 0.00 127 D 9.80 5.39 0.00 2.82 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 0.00 128 A 8.36 5.04 1.14 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 0.00 0.00 129 P 0.00 5.27 0.00 2.10 2.19 0.00 3.47 0.00 0.00 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.82 0.00 130 I 7.43 4.85 1.83 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.81 0.88 0.00 0.00 131 T 8.45 4.29 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 1.22 0.00 0.00 132 D 8.89 4.43 0.00 2.90 2.73 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 0.00 133 R 7.63 3.60 0.00 1.35 1.18 0.00 2.95 0.00 0.00 3.02 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.50 0.00 134 F 7.15 5.35 0.00 3.14 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 0.00 135 D 9.55 5.06 0.00 2.82 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 0.00 136 D 8.89 4.38 0.00 2.78 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 0.00 137 N 8.73 4.18 0.00 2.73 2.96 0.00 0.00 7.22 8.96 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 0.00 138 D 8.30 4.12 0.00 3.03 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 0.00 139 K 8.26 3.79 0.00 1.85 1.96 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.48 7.81 140 E 8.04 3.85 0.00 1.85 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 2.28 2.51 0.00 141 H 7.73 4.25 0.00 2.04 2.68 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 0.00 142 L 8.42 4.10 0.00 1.68 1.71 0.90 1.29 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 0.00 143 E 8.38 4.12 0.00 2.20 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 2.34 2.58 0.00 144 A 7.95 4.06 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 0.00 145 I 7.59 3.67 2.13 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.04 1.00 0.00 0.00 146 V 7.79 3.65 2.15 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 1.18 0.00 0.00 1.08 0.00 0.00 147 K 7.83 3.99 0.00 2.08 2.03 0.00 1.59 0.00 0.00 1.75 0.00 0.00 3.21 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.54 7.81 148 I 7.52 3.80 2.06 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 1.55 0.90 0.95 0.00 0.00 149 I 8.00 3.86 2.07 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 1.51 1.11 0.84 0.00 0.00 150 E 8.76 4.01 0.00 2.20 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 2.58 2.60 0.00 151 K 7.94 3.99 0.00 1.99 1.88 0.00 1.60 0.00 0.00 1.89 0.00 0.00 3.14 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.54 7.81 152 Q 7.97 4.11 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.51 2.59 0.00 153 L 7.64 4.44 0.00 1.60 1.71 0.86 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 154 A 8.00 4.32 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