NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1018 8.0549 114.0545 61.1553 33.0710 173.9236 2 L 4.1447 8.0178 120.5715 51.9236 42.5473 176.3607 3 S 4.5057 8.8869 119.1408 57.5023 66.2394 174.7689 4 E 4.2142 8.7941 121.6492 59.3855 29.3580 178.5316 5 G 3.7513 8.1797 105.2425 48.2332 0.0000 175.2407 6 E 4.0853 7.9497 120.5340 58.4126 29.4053 179.3778 7 W 4.2745 8.2445 119.3593 59.5655 28.9485 178.2741 8 Q 4.0785 8.5984 119.9924 59.3302 28.1983 178.4242 9 L 4.0535 7.9325 119.6893 57.4774 41.5669 179.7722 10 V 3.8232 7.7735 118.3472 66.0122 31.6076 177.9722 11 L 4.3490 8.4871 118.6436 57.3610 41.3690 178.7132 12 H 4.1734 8.5365 118.5369 59.0289 30.0055 177.0689 13 V 3.9885 7.7271 118.7436 63.2035 31.6153 178.1116 14 W 3.7368 8.3345 129.6002 60.2953 30.7141 177.5032 15 A 4.2561 8.5666 122.3070 53.5539 17.4516 178.5898 16 K 4.3783 7.3071 114.7548 57.2078 33.4991 177.9545 17 V 3.4157 6.8771 120.3850 65.0440 31.0621 177.1732 18 E 3.7890 8.0452 119.5212 58.5540 29.5661 177.8182 19 A 4.2374 7.0857 117.3549 53.3123 19.6659 177.1741 20 D 4.6247 7.8216 113.5625 51.6229 42.9239 176.0932 21 V 3.5665 7.7297 122.1282 66.2229 31.8220 176.4348 22 A 4.2066 7.9014 119.6411 54.2921 18.7992 179.4591 23 G 3.5367 8.3305 104.3398 47.6873 0.0000 175.7762 24 H 4.2018 7.9529 118.3196 58.9356 28.8041 178.1306 25 G 3.6014 8.2094 107.3807 47.7112 0.0000 175.5420 26 Q 3.9122 7.8936 121.4429 58.9903 29.0054 177.9399 27 D 4.2932 8.2184 120.0999 57.2758 40.7955 178.7956 28 I 3.6383 7.7114 120.2063 64.5020 37.1959 178.6432 29 L 3.5491 7.7901 119.3526 57.0884 41.1812 179.6140 30 I 3.6747 7.1793 120.1892 63.7088 37.2259 177.8452 31 R 3.8028 8.0959 120.0369 59.4912 29.7661 177.7914 32 L 3.9034 7.9678 120.1226 58.7201 41.8861 179.2261 33 F 4.5875 7.6810 117.0975 60.1403 38.5355 178.1128 34 K 4.0177 8.0502 117.8824 59.6905 32.1494 179.3174 35 S 4.2795 8.2128 114.3074 60.4412 64.0539 174.5333 36 H 4.8436 8.2831 118.6354 52.5675 29.3176 172.0587 37 P 4.7852 0.0000 0.0000 63.9369 31.4102 177.1248 38 E 4.2598 8.1315 115.4516 58.5268 30.0148 178.4518 39 T 3.9338 8.3317 112.0686 64.5553 68.9054 176.4675 40 L 3.7920 7.9982 123.0586 57.8545 41.8418 178.4558 41 E 3.9796 8.3961 117.3653 59.4461 29.3873 179.0479 42 K 4.2103 8.0033 117.2957 56.9792 32.4533 176.7967 43 F 4.7605 7.9403 119.3060 55.5560 40.3371 176.5539 44 D 4.4948 8.6520 126.1178 57.3674 40.9803 178.9837 45 R 3.8293 7.6634 116.8650 58.3059 30.4013 177.1369 46 F 5.0344 7.6566 113.4147 57.4028 39.3571 176.7159 47 K 4.3629 7.6009 119.5194 56.8214 31.9608 177.2521 48 H 4.5390 8.1909 114.4065 56.8878 29.2397 176.2201 49 L 4.4115 7.3648 122.1769 53.3294 39.8879 176.4965 50 K 4.0153 8.1744 121.6237 59.2357 33.0060 178.8145 51 T 4.3890 7.8380 108.6350 60.5647 71.5655 175.2708 52 E 3.9242 8.4948 120.6061 59.0089 29.6524 177.9425 53 A 3.9587 8.0163 120.4550 55.4710 18.3825 178.9705 54 E 3.8850 7.8999 116.2639 60.0798 29.3585 179.6370 55 M 3.9642 7.5222 116.4830 58.5589 32.1632 178.9101 56 K 4.0657 8.1853 117.0213 58.8373 32.2381 178.7480 57 A 4.2574 7.8460 120.1832 52.7936 18.7066 177.7851 58 S 4.1409 7.6836 113.7514 58.4870 63.1470 174.4589 59 E 4.1492 8.8550 127.8551 58.6582 29.6925 177.7184 60 D 4.4106 8.1096 117.7548 57.4750 41.3892 177.7582 61 L 3.6116 8.3250 121.1091 58.1015 41.9539 178.9504 62 K 3.9622 7.6849 118.2699 59.2603 32.1534 179.0020 63 K 4.0039 8.3174 119.0005 59.5939 31.9351 178.6831 64 H 4.2620 8.5007 118.6843 59.3981 29.8785 177.5036 65 G 3.6319 8.1489 107.4235 47.8402 0.0000 175.7882 66 V 3.6587 7.7213 120.2821 66.0273 31.5588 178.3239 67 T 3.8899 7.9001 115.5920 66.6175 68.2758 176.8976 68 V 3.6372 7.8896 120.1552 66.0974 31.5501 178.1712 69 L 4.3416 8.1438 118.9687 57.6487 41.5040 179.1823 70 T 4.1742 8.2016 109.2398 63.7831 69.1979 177.0279 71 A 3.9909 7.9951 124.1504 54.9104 18.4149 179.2496 72 L 3.7546 8.4133 119.5008 58.2201 42.1657 179.5378 73 G 3.1010 8.3755 105.6290 47.4854 0.0000 175.5465 74 A 4.0006 7.6054 121.6952 54.8135 18.5380 179.5748 75 I 3.7705 7.3540 118.1118 64.3480 37.2873 178.4767 76 L 3.8457 7.4775 119.7876 57.6533 41.2339 179.5207 77 K 4.1089 7.6555 116.2572 58.1574 32.0068 178.5883 78 K 3.9664 7.7455 118.1367 56.0869 32.3057 178.0294 79 K 2.0000 8.1258 112.8898 58.1222 30.5672 173.2097 80 G 3.8770 8.1151 121.3223 46.3608 0.0000 173.3073 81 H 5.0718 8.1968 119.9010 53.9813 27.5805 175.1621 82 H 5.0231 7.9490 125.8049 55.7843 29.7759 177.0837 83 E 4.0390 8.5865 120.6009 60.6408 29.3269 178.0958 84 A 3.9892 7.9656 118.7751 55.2417 18.3412 178.5396 85 E 4.3371 7.6687 113.2759 57.2558 30.4824 177.5116 86 L 4.3544 7.7291 119.9506 56.3416 42.3421 178.3346 87 K 3.9189 7.9217 119.5025 59.0833 32.2977 176.5267 88 P 4.2136 0.0000 0.0000 65.6117 31.1819 177.8859 89 L 3.9871 8.0949 118.1351 58.3514 41.8216 178.4277 90 A 4.1578 8.3228 120.5221 55.6685 18.2878 179.1038 91 Q 3.7888 8.2431 116.4869 59.6641 28.8732 180.2247 92 S 4.0367 8.3207 114.7163 61.7694 63.0629 176.1736 93 H 4.2282 8.5982 119.8292 58.2542 28.1985 177.6478 94 A 3.1220 7.7079 122.4433 54.5671 18.3348 179.0269 95 T 4.0002 7.3062 104.8861 61.8428 69.3302 174.3677 96 K 4.3171 7.3237 117.7861 58.6043 34.7254 177.2157 97 H 4.2175 7.9461 115.9153 56.7119 29.2730 175.6161 98 K 3.5656 7.7618 116.0290 57.1998 28.0152 177.3576 99 I 4.1331 7.7370 120.3238 58.9133 37.2635 174.9429 100 P 4.4967 0.0000 0.0000 62.3328 32.0564 177.7594 101 I 3.4800 8.1388 120.1899 63.9197 36.7911 178.8358 102 K 3.6978 7.6870 120.4237 59.6824 32.0987 178.2104 103 Y 3.7130 7.4318 116.6342 60.9496 37.7104 178.6728 104 L 4.2260 7.6806 119.2454 57.0744 41.6999 179.1358 105 E 3.9915 7.8529 119.3224 59.2943 29.9118 178.1598 106 F 4.4156 8.2235 117.9667 61.1591 39.0005 177.6601 107 I 3.9623 8.2028 117.6795 63.8277 37.7789 177.9620 108 S 4.2046 8.3159 116.4019 61.7452 62.6950 176.4381 109 E 4.1718 8.3404 120.3713 58.9587 29.2309 179.0995 110 A 4.1923 8.0732 120.9007 54.9805 18.2944 179.7934 111 I 3.6734 7.9546 118.5257 64.6629 37.2575 178.7749 112 I 3.8609 7.7183 120.2238 64.5090 36.9034 177.5993 113 H 4.1900 8.7941 119.6254 59.7959 29.3900 177.3555 114 V 3.4924 8.2702 120.0054 65.8535 31.1482 177.8067 115 L 3.9225 7.9762 117.8496 57.0126 41.4946 178.5926 116 H 4.6096 8.2800 118.9640 59.4663 29.6772 177.0184 117 S 4.0823 7.8407 115.8574 61.2685 62.7933 176.1461 118 R 4.5083 7.5643 116.3836 55.7483 32.5199 175.4452 119 H 4.8647 7.9333 116.3072 53.6184 29.3477 172.1761 120 P 4.0801 0.0000 0.0000 67.0368 32.0632 178.4313 121 G 3.8250 7.9203 105.3652 46.3554 0.0000 173.0134 122 D 4.8691 8.1860 117.8007 53.3701 43.2493 175.7624 123 F 5.0504 8.4047 120.9647 56.8680 38.8902 174.6535 124 G 3.9746 7.4738 110.3809 43.4650 0.0000 170.7514 125 A 3.8944 8.3461 120.6730 54.9820 18.3378 179.6617 126 D 4.2748 7.9484 117.2137 56.2530 39.6635 178.4502 127 A 4.0975 7.7487 121.6084 54.5668 18.7747 179.2228 128 Q 3.5329 7.8766 117.1566 59.0887 28.7596 179.5836 129 G 3.6299 8.0518 106.2990 47.4199 0.0000 175.6745 130 A 3.8598 7.8822 123.0721 55.1346 18.3714 179.3611 131 M 4.0026 8.7772 117.2145 58.9632 32.5595 177.7744 132 N 4.3000 8.6908 117.4985 56.8719 39.0343 176.9067 133 K 4.1379 8.1663 119.5353 59.1606 31.9264 178.9488 134 A 4.0938 7.9266 120.7615 54.3461 18.5735 179.4521 135 L 4.1014 8.2868 117.7922 57.3950 41.5620 179.4211 136 E 3.9719 8.0140 118.7405 59.3741 29.5210 178.6047 137 L 3.9651 7.9282 120.3055 58.4099 42.1558 179.0303 138 F 4.1524 8.1402 120.3355 61.4446 39.4759 177.2713 139 R 3.5500 8.2598 118.5392 58.7353 29.6988 178.5366 140 K 3.9618 8.2429 119.3610 59.9297 32.7400 179.0383 141 D 4.3161 8.2578 120.0580 56.9137 40.6443 178.8222 142 I 3.6457 7.4015 120.0051 64.0458 36.8992 178.2790 143 A 3.7112 7.5613 121.1075 54.7889 18.1584 179.4102 144 A 3.9519 8.2210 119.6184 55.3669 18.3161 180.0227 145 K 3.9658 7.8166 116.8035 59.8056 32.1067 179.1740 146 Y 4.0352 8.4198 117.0305 60.8869 37.7908 178.4646 147 K 3.9141 8.4885 120.8531 59.7866 32.1285 178.3545 148 E 4.0781 8.0359 117.7900 58.8055 29.5654 177.8443 149 L 4.5166 7.6700 116.7402 54.1662 42.2446 176.9365 150 G 3.7478 8.6622 107.2761 46.4304 0.0000 172.9108 151 Y 4.4125 8.2386 116.3346 56.6137 40.0622 172.6996 152 Q 3.4920 8.9877 128.6185 57.4492 27.1318 174.1165 153 G 3.4876 8.7851 110.6251 45.4583 0.0000 171.5337 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 V 8.05 4.10 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 0.93 0.00 0.00 0.96 0.00 0.00 2 L 8.02 4.14 0.00 0.83 0.38 0.42 -1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.89 4.51 0.00 4.06 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 4 E 8.79 4.21 0.00 2.18 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 0.00 2.43 2.51 0.00 5 G 8.18 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 6 E 7.95 4.09 0.00 1.78 1.83 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 2.25 2.28 0.00 7 W 8.24 4.27 0.00 3.51 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.60 4.08 0.00 2.40 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 9 L 7.93 4.05 0.00 1.93 1.76 0.94 0.77 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 10 V 7.77 3.82 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 1.24 0.00 0.00 0.94 0.00 0.00 11 L 8.49 4.35 0.00 1.84 1.79 0.91 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.54 4.17 0.00 3.29 3.54 0.00 5.94 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 13 V 7.73 3.99 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 1.03 0.00 0.00 0.73 0.00 0.00 14 W 8.33 3.74 0.00 3.70 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.57 4.26 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 16 K 7.31 4.38 0.00 1.88 1.90 0.00 1.60 0.00 0.00 1.58 0.00 0.00 3.26 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.57 7.81 17 V 6.88 3.42 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 0.22 0.00 0.00 -0.02 0.00 0.00 18 E 8.05 3.79 0.00 2.08 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 2.31 2.27 0.00 19 A 7.09 4.24 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 20 D 7.82 4.62 0.00 2.69 2.42 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 21 V 7.73 3.57 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 0.98 0.00 0.00 0.93 0.00 0.00 22 A 7.90 4.21 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 23 G 8.33 3.54 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 0.00 0.00 0.00 24 H 7.95 4.20 0.00 3.32 3.14 0.00 5.64 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 8.21 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 26 Q 7.89 3.91 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 27 D 8.22 4.29 0.00 2.81 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 28 I 7.71 3.64 1.95 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 1.50 0.74 0.90 0.00 0.00 29 L 7.79 3.55 0.00 1.40 1.04 0.91 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.18 3.67 2.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.54 0.87 0.00 0.00 31 R 8.10 3.80 0.00 2.02 2.05 0.00 3.20 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.88 0.00 32 L 7.97 3.90 0.00 1.75 1.40 1.09 1.01 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 33 F 7.68 4.59 0.00 3.04 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 34 K 8.05 4.02 0.00 2.13 1.83 0.00 1.63 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.51 7.81 35 S 8.21 4.28 0.00 3.51 3.55 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 36 H 8.28 4.84 0.00 3.20 3.19 0.00 5.62 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 37 P 0.00 4.79 0.00 2.18 2.12 0.00 3.88 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 2.12 2.01 0.00 38 E 8.13 4.26 0.00 2.23 2.16 0.00 0.00 0.00 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 2.50 0.00 39 T 8.33 3.93 4.51 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 0.94 0.00 0.00 40 L 8.00 3.79 0.00 1.56 1.75 -0.24 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.40 3.98 0.00 2.14 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 0.00 2.37 2.53 0.00 42 K 8.00 4.21 0.00 1.95 1.59 0.00 1.83 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.72 1.85 7.81 43 F 7.94 4.76 0.00 3.06 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 8.65 4.49 0.00 2.65 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 45 R 7.66 3.83 0.00 1.01 1.89 0.00 3.14 0.00 0.00 3.09 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.01 0.00 46 F 7.66 5.03 0.00 2.90 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 47 K 7.60 4.36 0.00 1.90 1.86 0.00 1.84 0.00 0.00 1.91 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.58 7.81 48 H 8.19 4.54 0.00 3.28 3.40 0.00 5.52 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 49 L 7.36 4.41 0.00 1.67 1.56 0.74 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.17 4.02 0.00 1.74 1.86 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.38 7.81 51 T 7.84 4.39 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 1.21 0.00 0.00 52 E 8.49 3.92 0.00 2.05 1.96 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 2.35 2.35 0.00 53 A 8.02 3.96 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 7.90 3.89 0.00 2.15 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 2.37 0.00 55 M 7.52 3.96 0.00 1.99 2.26 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.56 0.00 56 K 8.19 4.07 0.00 1.79 1.84 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.57 7.81 57 A 7.85 4.26 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 58 S 7.68 4.14 0.00 3.88 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 59 E 8.86 4.15 0.00 2.13 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 60 D 8.11 4.41 0.00 2.94 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 61 L 8.32 3.61 0.00 1.25 1.64 0.57 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.68 3.96 0.00 1.88 1.94 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.46 7.81 63 K 8.32 4.00 0.00 2.12 1.92 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.48 7.81 64 H 8.50 4.26 0.00 3.62 3.64 0.00 5.79 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 8.15 3.63 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 0.00 0.00 0.00 66 V 7.72 3.66 2.24 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 1.04 0.00 0.00 1.00 0.00 0.00 67 T 7.90 3.89 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 68 V 7.89 3.64 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 1.16 0.00 0.00 1.02 0.00 0.00 69 L 8.14 4.34 0.00 1.87 1.82 0.86 0.61 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 8.20 4.17 4.31 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 1.30 0.00 0.00 71 A 8.00 3.99 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 8.41 3.75 0.00 1.73 1.82 0.21 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.38 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 74 A 7.61 4.00 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 75 I 7.35 3.77 1.85 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 1.49 0.61 0.82 0.00 0.00 76 L 7.48 3.85 0.00 1.32 1.54 -0.33 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.66 4.11 0.00 1.62 1.77 0.00 1.78 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.45 1.40 7.81 78 K 7.75 3.97 0.00 1.77 1.80 0.00 1.66 0.00 0.00 1.57 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.75 7.81 79 K 8.13 2.00 0.00 0.79 0.74 0.00 1.25 0.00 0.00 1.48 0.00 0.00 2.59 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.91 0.88 7.81 80 G 8.12 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 81 H 8.20 5.07 0.00 3.31 3.32 0.00 5.27 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.95 5.02 0.00 3.15 3.38 0.00 5.47 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 83 E 8.59 4.04 0.00 2.09 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 0.00 2.41 2.45 0.00 84 A 7.97 3.99 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 7.67 4.34 0.00 1.98 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 2.24 2.32 0.00 86 L 7.73 4.35 0.00 1.86 1.78 0.88 0.53 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 87 K 7.92 3.92 0.00 1.87 1.79 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.54 7.81 88 P 0.00 4.21 0.00 2.22 2.12 0.00 3.73 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 89 L 8.09 3.99 0.00 1.86 1.76 1.03 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.32 4.16 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 91 Q 8.24 3.79 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 92 S 8.32 4.04 0.00 4.02 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 93 H 8.60 4.23 0.00 3.49 3.57 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 7.71 3.12 -0.23 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 0.00 0.00 0.00 95 T 7.31 4.00 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 96 K 7.32 4.32 0.00 1.60 1.52 0.00 1.66 0.00 0.00 1.54 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.21 1.26 7.81 97 H 7.95 4.22 0.00 3.03 3.21 0.00 5.74 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.76 3.57 0.00 1.87 1.92 0.00 1.64 0.00 0.00 1.78 0.00 0.00 3.13 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.52 7.81 99 I 7.74 4.13 2.01 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 1.37 0.86 1.05 0.00 0.00 100 P 0.00 4.50 0.00 1.79 1.90 0.00 3.06 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.09 0.00 101 I 8.14 3.48 1.69 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.90 0.72 0.00 0.00 102 K 7.69 3.70 0.00 1.71 1.55 0.00 1.66 0.00 0.00 2.09 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 0.50 7.81 103 Y 7.43 3.71 0.00 3.03 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 0.00 104 L 7.68 4.23 0.00 1.80 1.81 0.60 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.85 3.99 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 106 F 8.22 4.42 0.00 3.27 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 0.00 107 I 8.20 3.96 2.03 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 1.60 1.41 1.08 0.00 0.00 108 S 8.32 4.20 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 E 8.34 4.17 0.00 2.09 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 2.43 2.54 0.00 110 A 8.07 4.19 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 0.00 111 I 7.95 3.67 2.09 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 1.59 0.84 1.02 0.00 0.00 112 I 7.72 3.86 2.01 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 1.71 1.08 1.15 0.00 0.00 113 H 8.79 4.19 0.00 3.22 3.58 0.00 5.78 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 0.00 114 V 8.27 3.49 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 0.94 0.00 0.00 0.98 0.00 0.00 115 L 7.98 3.92 0.00 0.61 0.94 0.63 0.59 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 8.28 4.61 0.00 3.65 3.60 0.00 5.82 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 0.00 117 S 7.84 4.08 0.00 3.97 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 0.00 118 R 7.56 4.51 0.00 1.73 1.70 0.00 3.08 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.70 0.00 119 H 7.93 4.86 0.00 3.23 3.21 0.00 5.65 0.00 0.00 0.00 0.00 6.91 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 4.08 0.00 2.16 2.03 0.00 3.55 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 121 G 7.92 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 0.00 122 D 8.19 4.87 0.00 2.70 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 0.00 123 F 8.40 5.05 0.00 3.00 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 0.00 124 G 7.47 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 0.00 125 A 8.35 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 7.95 4.27 0.00 2.92 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 A 7.75 4.10 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 3.53 0.00 1.95 1.89 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 1.16 1.73 0.00 129 G 8.05 3.63 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 0.00 0.00 0.00 130 A 7.88 3.86 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 0.00 131 M 8.78 4.00 0.00 2.51 2.47 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.85 0.00 132 N 8.69 4.30 0.00 2.95 2.80 0.00 0.00 7.31 5.99 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 0.00 133 K 8.17 4.14 0.00 2.01 1.65 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.38 1.39 7.81 134 A 7.93 4.09 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 0.00 135 L 8.29 4.10 0.00 1.76 1.81 1.02 1.06 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 0.00 136 E 8.01 3.97 0.00 2.27 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 2.47 0.00 137 L 7.93 3.97 0.00 1.84 2.00 0.98 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.14 4.15 0.00 3.12 3.32 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 0.00 139 R 8.26 3.55 0.00 2.22 1.99 0.00 3.13 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 140 K 8.24 3.96 0.00 1.98 2.02 0.00 1.36 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.52 7.81 141 D 8.26 4.32 0.00 2.73 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 0.00 142 I 7.40 3.65 1.48 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 -0.01 0.42 0.00 0.00 143 A 7.56 3.71 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 0.00 144 A 8.22 3.95 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 0.00 145 K 7.82 3.97 0.00 2.13 1.97 0.00 1.58 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.55 7.81 146 Y 8.42 4.04 0.00 3.17 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 0.00 147 K 8.49 3.91 0.00 1.98 1.93 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.48 7.81 148 E 8.04 4.08 0.00 2.05 2.25 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 2.35 2.38 0.00 149 L 7.67 4.52 0.00 1.79 1.94 0.72 1.09 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 0.00 150 G 8.66 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 0.00 151 Y 8.24 4.41 0.00 2.70 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 0.00 152 Q 8.99 3.49 0.00 2.37 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.27 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00 153 G 8.79 3.49 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