NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9663 8.3549 109.7377 45.4966 0.0000 172.5055 2 L 4.3601 8.0716 118.4591 51.1768 43.1236 175.9820 3 S 4.4656 9.7154 119.1829 57.9019 66.1072 174.8529 4 D 4.6657 8.8634 122.4757 57.8532 40.5543 179.5489 5 G 3.6710 8.1135 105.3682 47.8189 0.0000 175.4013 6 E 3.8968 8.2234 121.0060 58.9989 29.4862 179.3862 7 W 4.3977 8.2443 119.1896 59.9312 29.1072 178.3111 8 Q 4.0751 8.4433 119.4246 59.3270 28.4258 178.3591 9 Q 4.0523 8.1908 119.0772 58.9093 28.7368 178.8453 10 V 3.6906 8.0536 119.3237 66.3472 31.6506 178.1398 11 L 4.2510 8.3384 118.2309 57.2062 41.2230 179.0582 12 N 4.3296 8.1885 116.8374 56.6855 39.2943 176.6024 13 V 3.7202 8.1116 119.8931 65.9518 31.6192 177.7804 14 W 4.1502 8.6607 128.0883 60.2610 30.2430 178.0540 15 G 3.6636 7.7736 104.7467 47.5712 0.0000 175.5479 16 K 4.0055 7.8820 120.6435 59.2343 32.0292 179.5052 17 V 2.7101 7.0850 117.8988 65.7796 31.0925 177.7571 18 E 3.8528 7.5239 116.3052 58.6840 29.2709 178.8030 19 A 4.2027 7.2662 119.4242 53.9841 19.7627 177.6304 20 D 4.6794 7.8358 116.5248 52.0704 42.7086 175.3422 21 I 3.6357 7.9747 124.7841 63.9935 37.6076 177.4534 22 A 4.1560 7.4266 122.4765 54.4226 18.2579 179.7643 23 G 3.5863 8.2450 105.4914 47.8145 0.0000 175.6366 24 H 4.1286 8.3414 119.4436 58.2655 28.7013 178.2463 25 G 3.4957 8.3780 107.8211 47.7078 0.0000 175.2368 26 Q 3.8646 8.3108 122.9409 59.2062 28.9662 178.7832 27 E 3.8655 8.0984 119.2358 59.0636 29.3460 179.5453 28 V 3.5016 7.8892 118.5484 66.0364 31.6282 178.1730 29 L 3.3942 7.6948 118.6214 57.5089 41.2634 179.5253 30 I 3.5818 7.6316 119.9165 64.2458 37.0328 178.3855 31 R 3.7669 7.9821 119.5849 59.1891 29.9083 178.2363 32 L 3.9217 7.8303 120.1023 58.4155 41.8774 179.1055 33 F 4.5934 8.2182 118.3338 60.6693 38.5771 177.8556 34 T 4.0820 8.0949 109.1394 64.6062 68.9074 176.9699 35 G 3.6200 7.9321 107.6447 46.3126 0.0000 173.6497 36 H 4.7699 8.0069 117.5597 52.1363 29.5896 172.0101 37 P 4.4885 0.0000 0.0000 64.3445 31.3623 177.5168 38 E 4.0986 8.2773 116.5832 59.5355 29.3202 179.1599 39 T 3.8967 8.2178 111.2153 64.4862 68.8317 176.3669 40 L 3.4806 7.8358 123.0493 57.8246 41.7907 178.6595 41 E 4.1213 7.7954 117.3356 58.5535 29.4527 178.6499 42 K 4.4729 8.0631 117.3795 56.8296 32.8932 176.9556 43 F 4.6387 8.1983 119.1585 55.1599 39.2744 175.4185 44 D 4.3789 8.6693 126.8489 57.1969 40.8040 178.9782 45 K 4.2466 7.8358 114.7050 57.6528 33.1133 176.9577 46 F 5.0744 8.0726 117.6328 57.0850 40.4854 177.0693 47 K 3.8968 7.7063 119.5819 59.5471 31.8914 177.7488 48 H 4.3374 8.1372 112.1642 56.9029 28.7751 175.6261 49 L 4.1782 7.4253 120.9831 54.1836 40.0384 176.4725 50 K 4.2875 8.5664 123.2410 57.2306 33.1379 177.7585 51 T 4.7352 8.2882 109.4119 58.8814 73.1040 174.3549 52 E 3.8997 8.7092 121.8679 59.3218 29.6629 178.9482 53 A 3.9911 7.9670 120.4717 55.1995 18.2750 179.2394 54 E 3.9418 8.0695 115.4144 59.7573 29.9061 178.9626 55 M 4.1660 8.0655 118.6563 58.5251 31.8468 179.0694 56 K 3.9847 8.2738 117.3779 59.1048 32.3027 178.6405 57 A 4.4139 7.8586 118.8235 52.1332 18.4287 177.2024 58 S 4.3592 7.5194 113.2724 57.4525 62.5514 174.6767 59 E 4.0773 8.8082 128.8032 59.3180 29.2066 178.6811 60 D 4.4851 8.1855 117.9280 57.0142 41.3093 177.8215 61 L 3.7368 8.1718 121.2414 57.9095 41.9588 179.1364 62 K 3.9338 7.7997 117.8788 59.1520 31.9732 179.1080 63 K 3.9083 8.2009 119.9383 60.0124 32.0616 178.3089 64 H 4.4091 8.7834 118.7054 59.1967 29.7161 177.4006 65 G 3.5808 8.4092 107.7913 47.9721 0.0000 175.7195 66 T 3.8715 8.1597 118.2258 66.4240 68.4885 176.7432 67 V 3.7152 7.7752 120.0106 65.9741 31.5898 178.2231 68 V 3.5864 7.9692 118.0299 66.2478 31.4138 178.1261 69 L 4.2947 8.2709 118.6976 57.8328 41.4138 179.6799 70 T 4.0025 8.2882 116.0352 66.4164 68.3668 176.5148 71 A 3.9826 8.0601 122.7361 55.1166 18.3999 179.4200 72 L 3.6744 8.0577 118.9925 58.0790 42.1161 179.2865 73 G 3.0691 8.4021 106.1237 47.5322 0.0000 175.7462 74 G 3.6191 7.7864 107.0415 47.5418 0.0000 175.5721 75 I 3.8338 7.5329 122.1471 64.1476 37.1691 178.5469 76 L 3.9656 7.8099 120.1251 57.6587 41.1757 179.5307 77 K 3.9926 7.6037 116.7197 58.2174 32.2300 178.6128 78 K 3.9546 7.8515 118.3457 55.8734 32.6528 176.5051 79 K 2.0000 8.1852 118.3614 56.3366 29.7693 175.8613 80 G 3.9129 7.7654 105.8687 45.8525 0.0000 173.7947 81 H 4.5412 7.4403 119.2746 55.2503 27.3636 174.8389 82 H 5.5337 7.3244 110.7632 53.9744 29.8821 175.9438 83 E 3.9284 8.6513 122.2365 60.3218 29.0504 178.6288 84 A 3.9952 7.9153 118.5357 55.1219 18.9743 178.9422 85 E 4.1045 8.1235 116.7704 59.0690 29.6387 178.8596 86 L 3.9969 8.3075 120.6611 57.4584 42.2464 178.2552 87 K 3.8161 8.2105 120.1847 59.3824 31.9779 176.7536 88 P 4.2367 0.0000 0.0000 65.7024 31.1167 178.0379 89 L 3.9880 7.4724 117.7355 57.9241 42.0874 178.7572 90 A 4.0824 8.2608 121.0054 55.4818 18.2570 179.7130 91 Q 3.9497 8.3916 116.9389 58.8998 28.7253 179.0302 92 S 4.0121 8.4719 115.8674 61.7679 63.1316 176.3256 93 H 4.1878 8.5842 119.5866 58.0208 28.5282 177.7580 94 A 2.5800 7.8690 123.0080 54.7114 17.9908 179.7144 95 T 3.7709 7.5287 106.9519 63.6779 69.2496 175.7303 96 K 4.0843 7.4301 120.7243 58.4479 32.8860 177.0979 97 H 4.3429 7.8562 113.7131 56.0367 29.3992 175.3962 98 K 3.7634 7.4570 116.7629 56.3347 28.9820 176.4174 99 I 4.3060 8.0155 119.3497 58.9791 37.9296 175.0648 100 P 4.5159 0.0000 0.0000 62.1307 31.9892 177.6839 101 I 3.5815 8.5448 120.3454 63.9753 37.6520 177.9704 102 K 3.5957 7.9951 120.2571 59.8872 31.8278 178.0688 103 Y 4.1677 8.0479 116.7416 60.7922 37.7583 178.2058 104 L 4.1570 7.8887 119.8798 57.4607 41.7081 178.8276 105 E 3.9579 8.0589 119.4281 59.3064 29.5975 178.6644 106 F 4.4986 8.0858 117.9620 61.0575 39.0442 177.6821 107 I 3.8584 8.2442 117.9331 63.8703 37.8417 178.0540 108 S 4.2230 8.3777 116.3248 61.8035 62.7212 176.2927 109 D 4.4737 8.4808 121.3479 57.4318 40.4809 178.7895 110 A 4.0533 8.2612 121.2624 55.1631 18.3419 179.7449 111 I 3.6658 8.0079 118.3216 64.6182 37.2528 178.7016 112 I 3.8477 7.7348 120.1455 64.6064 36.8697 177.9457 113 H 4.1328 8.4676 119.0598 59.4307 29.6794 177.5071 114 V 3.5535 8.1330 120.2357 65.7867 31.2868 177.9267 115 L 3.7950 7.9653 118.8102 58.1204 41.3549 179.1957 116 H 4.3349 8.1122 115.9526 59.0376 28.4173 177.8931 117 S 4.1596 8.0579 114.2103 60.9850 62.3097 175.7339 118 K 4.1454 8.0739 119.7432 57.3725 33.2528 176.5426 119 H 4.9737 8.0265 116.2848 53.8313 29.4034 171.9391 120 P 4.5684 0.0000 0.0000 63.5313 31.9568 177.5335 121 G 3.9743 9.0902 110.0665 45.8628 0.0000 173.0193 122 D 4.9558 8.4223 117.9763 53.6584 41.5957 175.9661 123 F 4.9489 8.0337 120.0430 54.9891 39.5313 174.8783 124 G 3.8273 8.0990 112.9190 43.2464 0.0000 170.9166 125 A 3.8894 8.3559 121.9343 55.0221 18.2816 179.6602 126 D 4.2243 7.9843 116.9244 56.5561 39.4105 178.5568 127 A 3.9751 7.7816 121.8241 54.8058 18.4188 179.1618 128 Q 3.5845 7.8838 118.5905 58.9984 29.0251 178.7342 129 G 3.5175 8.0551 106.4871 47.6823 0.0000 175.5781 130 A 3.8488 8.0388 123.4822 55.0135 18.4084 179.3363 131 M 4.0254 8.3474 117.0511 59.0961 32.2324 178.4497 132 T 3.8967 8.1841 115.9686 66.6943 68.6486 176.5789 133 K 3.8442 8.1029 120.0156 59.4776 32.0546 179.2622 134 A 3.8683 7.9270 120.8792 55.1465 18.2146 179.7516 135 L 4.1234 8.2317 117.6454 57.7767 41.6806 179.5953 136 E 3.9806 8.5124 118.9839 59.1530 29.4062 178.8949 137 L 3.9512 8.0880 120.4541 58.1713 42.1756 178.6242 138 F 4.1868 8.3304 120.3928 61.5418 39.2677 176.9880 139 R 3.5357 8.3091 118.2692 59.4296 29.8584 178.0101 140 N 4.2673 8.7099 117.1232 56.6786 38.7947 176.6675 141 D 4.3625 8.2381 120.4767 57.0506 40.8597 178.7216 142 I 3.4451 7.4970 120.1836 64.2231 36.9481 178.1367 143 A 3.7640 8.0202 121.6634 55.1082 18.1056 179.4965 144 A 3.9375 7.9366 119.1325 55.3563 18.5058 180.0814 145 K 4.0226 7.8636 117.1235 59.7047 32.0155 179.2307 146 Y 4.2844 8.4942 117.6192 61.0256 37.8175 178.5405 147 K 3.9711 8.5449 120.8598 59.4674 32.0721 178.4273 148 E 3.9874 7.9666 117.8736 59.6707 29.6138 179.0886 149 L 4.2803 7.8421 115.7210 54.8242 41.8353 177.5500 150 G 3.8632 7.7969 106.8642 46.2918 0.0000 173.1261 151 F 4.6205 8.2693 121.7319 56.8236 40.4311 174.6354 152 Q 4.0757 7.3689 124.9887 56.6911 30.9354 175.7746 153 G 3.3132 6.5626 109.1070 45.9940 0.0000 172.9231 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 G 8.35 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 2 L 8.07 4.36 0.00 0.62 0.69 0.52 -0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.72 4.47 0.00 4.02 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 4 D 8.86 4.67 0.00 2.77 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 5 G 8.11 3.67 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 0.00 0.00 0.00 6 E 8.22 3.90 0.00 2.04 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 2.22 2.27 0.00 7 W 8.24 4.40 0.00 3.55 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 8 Q 8.44 4.08 0.00 2.31 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 9 Q 8.19 4.05 0.00 2.32 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.55 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 10 V 8.05 3.69 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 1.20 0.00 0.00 0.87 0.00 0.00 11 L 8.34 4.25 0.00 1.85 1.79 0.93 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.19 4.33 0.00 2.87 3.05 0.00 0.00 7.12 7.09 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 13 V 8.11 3.72 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 0.82 0.00 0.00 1.21 0.00 0.00 14 W 8.66 4.15 0.00 3.63 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 15 G 7.77 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 0.00 0.00 0.00 16 K 7.88 4.01 0.00 1.64 1.52 0.00 1.35 0.00 0.00 1.37 0.00 0.00 2.88 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.35 1.40 7.81 17 V 7.08 2.71 0.67 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 0.03 0.00 0.00 0.25 0.00 0.00 18 E 7.52 3.85 0.00 1.86 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 2.30 2.06 0.00 19 A 7.27 4.20 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 20 D 7.84 4.68 0.00 2.71 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 7.97 3.64 1.83 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.77 0.90 0.00 0.00 22 A 7.43 4.16 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 23 G 8.24 3.59 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 0.00 24 H 8.34 4.13 0.00 3.21 3.23 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 25 G 8.38 3.50 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 26 Q 8.31 3.86 0.00 2.08 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 27 E 8.10 3.87 0.00 1.97 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 2.25 2.39 0.00 28 V 7.89 3.50 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 1.08 0.00 0.00 0.96 0.00 0.00 29 L 7.69 3.39 0.00 1.32 0.71 0.79 0.44 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 30 I 7.63 3.58 1.76 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 1.34 0.58 0.86 0.00 0.00 31 R 7.98 3.77 0.00 1.93 2.06 0.00 3.02 0.00 0.00 2.92 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 32 L 7.83 3.92 0.00 1.77 1.46 1.07 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.22 4.59 0.00 2.95 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.09 4.08 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 1.23 0.00 0.00 35 G 7.93 3.62 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 0.00 0.00 0.00 36 H 8.01 4.77 0.00 3.06 2.96 0.00 5.63 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.49 0.00 2.15 2.09 0.00 3.84 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 38 E 8.28 4.10 0.00 2.30 2.30 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 2.22 2.55 0.00 39 T 8.22 3.90 4.46 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 0.72 0.00 0.00 40 L 7.84 3.48 0.00 1.37 1.71 -0.17 1.27 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 41 E 7.80 4.12 0.00 2.19 2.06 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 2.38 2.54 0.00 42 K 8.06 4.47 0.00 1.96 1.76 0.00 1.93 0.00 0.00 1.81 0.00 0.00 3.24 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.78 2.00 7.81 43 F 8.20 4.64 0.00 3.27 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 44 D 8.67 4.38 0.00 2.67 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 45 K 7.84 4.25 0.00 1.61 1.74 0.00 1.35 0.00 0.00 1.51 0.00 0.00 2.85 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.95 0.21 7.81 46 F 8.07 5.07 0.00 2.81 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 47 K 7.71 3.90 0.00 1.97 1.90 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.23 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.49 1.65 7.81 48 H 8.14 4.34 0.00 3.29 3.44 0.00 5.52 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.43 4.18 0.00 1.66 1.61 0.87 0.77 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 50 K 8.57 4.29 0.00 1.87 1.85 0.00 1.70 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.61 1.36 7.81 51 T 8.29 4.74 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 52 E 8.71 3.90 0.00 2.04 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 2.35 2.36 0.00 53 A 7.97 3.99 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 54 E 8.07 3.94 0.00 2.14 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 2.33 2.41 0.00 55 M 8.07 4.17 0.00 2.04 2.24 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.58 0.00 56 K 8.27 3.98 0.00 1.82 1.85 0.00 1.67 0.00 0.00 1.66 0.00 0.00 3.14 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.58 1.57 7.81 57 A 7.86 4.41 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 58 S 7.52 4.36 0.00 4.02 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 59 E 8.81 4.08 0.00 2.06 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 2.42 2.32 0.00 60 D 8.19 4.49 0.00 2.90 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 61 L 8.17 3.74 0.00 1.54 1.69 0.67 0.53 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 62 K 7.80 3.93 0.00 2.03 1.84 0.00 1.89 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.56 7.81 63 K 8.20 3.91 0.00 1.99 2.13 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.51 7.81 64 H 8.78 4.41 0.00 3.67 3.68 0.00 5.84 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 65 G 8.41 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.16 3.87 4.46 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 1.23 0.00 0.00 67 V 7.78 3.72 2.23 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 1.05 0.00 0.00 0.99 0.00 0.00 68 V 7.97 3.59 2.10 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 1.06 0.00 0.00 0.97 0.00 0.00 69 L 8.27 4.29 0.00 1.78 1.87 0.83 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.29 4.00 4.45 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 1.26 0.00 0.00 71 A 8.06 3.98 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 72 L 8.06 3.67 0.00 1.59 1.76 0.02 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.40 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 74 G 7.79 3.62 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 0.00 0.00 0.00 75 I 7.53 3.83 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 1.54 0.74 0.93 0.00 0.00 76 L 7.81 3.97 0.00 1.23 1.54 0.11 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.60 3.99 0.00 1.62 1.77 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.11 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.40 1.47 7.81 78 K 7.85 3.95 0.00 1.83 1.80 0.00 1.77 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.59 1.58 7.81 79 K 8.19 2.00 0.00 1.19 0.74 0.00 1.53 0.00 0.00 1.43 0.00 0.00 2.65 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.39 0.72 7.81 80 G 7.77 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 81 H 7.44 4.54 0.00 3.16 3.22 0.00 5.60 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 82 H 7.32 5.53 0.00 3.27 3.41 0.00 5.66 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.65 3.93 0.00 2.12 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 2.39 2.47 0.00 84 A 7.92 4.00 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 85 E 8.12 4.10 0.00 2.22 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 2.39 2.42 0.00 86 L 8.31 4.00 0.00 1.71 1.72 0.75 0.72 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 87 K 8.21 3.82 0.00 1.95 1.83 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.49 7.81 88 P 0.00 4.24 0.00 2.32 2.31 0.00 3.69 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.11 0.00 89 L 7.47 3.99 0.00 1.90 1.90 1.04 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.26 4.08 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.39 3.95 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.61 0.00 92 S 8.47 4.01 0.00 3.94 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 93 H 8.58 4.19 0.00 3.49 3.56 0.00 5.81 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 94 A 7.87 2.58 0.25 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 95 T 7.53 3.77 4.10 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 1.09 0.00 0.00 96 K 7.43 4.08 0.00 1.55 1.59 0.00 1.66 0.00 0.00 1.54 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.23 1.34 7.81 97 H 7.86 4.34 0.00 3.06 3.16 0.00 5.86 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.46 3.76 0.00 1.94 2.00 0.00 1.78 0.00 0.00 2.35 0.00 0.00 3.15 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.37 7.81 99 I 8.02 4.31 2.10 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 1.50 0.99 1.19 0.00 0.00 100 P 0.00 4.52 0.00 1.79 1.84 0.00 2.49 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 1.08 1.69 0.00 101 I 8.54 3.58 1.84 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.09 0.88 0.00 0.00 102 K 8.00 3.60 0.00 1.75 1.62 0.00 1.58 0.00 0.00 1.73 0.00 0.00 3.18 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 0.48 7.81 103 Y 8.05 4.17 0.00 3.20 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 0.00 104 L 7.89 4.16 0.00 1.83 1.72 1.07 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.06 3.96 0.00 1.99 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 2.40 2.39 0.00 106 F 8.09 4.50 0.00 3.27 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 0.00 107 I 8.24 3.86 2.04 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.40 1.12 0.00 0.00 108 S 8.38 4.22 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 0.00 109 D 8.48 4.47 0.00 3.00 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 0.00 110 A 8.26 4.05 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 0.00 111 I 8.01 3.67 2.11 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 1.58 0.80 0.99 0.00 0.00 112 I 7.73 3.85 2.14 0.00 0.00 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 1.71 1.33 1.15 0.00 0.00 113 H 8.47 4.13 0.00 3.32 3.50 0.00 5.78 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.13 3.55 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 0.97 0.00 0.00 0.99 0.00 0.00 115 L 7.97 3.80 0.00 1.24 0.47 0.50 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 116 H 8.11 4.33 0.00 3.39 3.37 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.06 4.16 0.00 3.74 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 0.00 118 K 8.07 4.15 0.00 1.61 1.48 0.00 1.64 0.00 0.00 1.23 0.00 0.00 2.57 0.00 0.00 2.41 0.00 0.00 0.00 0.00 1.26 1.41 7.81 119 H 8.03 4.97 0.00 3.23 3.19 0.00 5.62 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.57 0.00 2.19 2.08 0.00 3.42 0.00 0.00 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.92 0.00 121 G 9.09 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 0.00 122 D 8.42 4.96 0.00 2.62 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 0.00 123 F 8.03 4.95 0.00 2.76 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 0.00 124 G 8.10 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 0.00 0.00 0.00 125 A 8.36 3.89 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 0.00 126 D 7.98 4.22 0.00 2.92 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 0.00 127 A 7.78 3.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 Q 7.88 3.58 0.00 1.23 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 129 G 8.06 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 0.00 130 A 8.04 3.85 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.35 4.03 0.00 2.40 2.31 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.79 0.00 132 T 8.18 3.90 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 133 K 8.10 3.84 0.00 1.81 1.67 0.00 1.58 0.00 0.00 1.51 0.00 0.00 2.79 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.50 7.81 134 A 7.93 3.87 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 0.00 135 L 8.23 4.12 0.00 1.77 1.83 1.00 0.78 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 0.00 136 E 8.51 3.98 0.00 2.16 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 0.00 2.35 2.46 0.00 137 L 8.09 3.95 0.00 1.90 1.99 0.99 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.33 4.19 0.00 3.12 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 0.00 139 R 8.31 3.54 0.00 2.08 2.04 0.00 3.18 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.50 0.00 140 N 8.71 4.27 0.00 2.83 2.78 0.00 0.00 7.26 8.38 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 0.00 141 D 8.24 4.36 0.00 2.79 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 0.00 142 I 7.50 3.45 1.46 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.17 0.17 0.00 0.00 143 A 8.02 3.76 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 0.00 144 A 7.94 3.94 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 0.00 145 K 7.86 4.02 0.00 1.95 1.94 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.66 1.62 7.81 146 Y 8.49 4.28 0.00 3.11 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 0.00 147 K 8.54 3.97 0.00 1.85 1.98 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.50 7.81 148 E 7.97 3.99 0.00 2.19 2.03 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 2.37 2.64 0.00 149 L 7.84 4.28 0.00 1.78 1.69 0.83 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.80 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 0.00 0.00 0.00 151 F 8.27 4.62 0.00 2.70 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 0.00 152 Q 7.37 4.08 0.00 1.73 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.66 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 153 G 6.56 3.31 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 0.00