NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5175 8.3049 120.3313 55.2236 32.4826 174.2441 2 K 4.2417 8.3164 123.4133 53.0832 34.5342 174.4308 3 L 4.3440 8.8671 127.6760 55.2365 43.6851 176.3706 4 T 4.2898 8.4039 123.9293 62.9711 68.9680 173.7773 5 I 4.6013 8.3604 127.9255 60.1709 38.6331 174.7958 6 I 4.7487 9.0860 131.2550 59.6117 40.1914 174.7858 7 R 4.5417 8.4132 121.1396 54.8271 30.9778 176.5982 8 L 3.9857 8.5312 124.9833 54.1346 40.0367 176.2310 9 E 4.2690 8.3410 123.1101 56.9633 30.5749 177.1886 10 K 4.6027 7.3529 116.2732 54.4231 35.9970 175.3622 11 F 4.6810 8.8856 121.5394 55.6305 40.6595 176.3330 12 S 4.6327 8.6351 121.3285 57.5692 65.7425 174.7582 13 D 4.4332 8.5045 120.7349 56.8408 40.5180 179.1664 14 Q 3.9857 8.0020 118.7251 59.1481 28.8210 178.0064 15 D 4.4145 8.2842 119.9482 57.2262 40.9150 178.6513 16 R 4.0142 8.3193 119.5610 59.6970 30.0490 178.6665 17 I 3.7489 7.7174 119.0120 64.6826 37.2741 178.3095 18 D 4.3900 7.9847 119.2076 57.1421 40.4668 178.8981 19 L 3.7731 8.2951 120.0619 57.8820 41.4805 179.5039 20 Q 4.2278 7.9614 116.2544 58.3235 28.6868 178.1435 21 K 4.1144 7.7105 120.1845 58.9144 32.2597 178.4361 22 I 3.9199 7.0979 119.0967 61.8049 38.3590 175.9146 23 W 4.8343 7.9627 121.3437 54.0835 28.7577 174.1502 24 P 4.6513 0.0000 0.0000 64.0081 31.4078 177.3604 25 E 4.3625 8.2439 118.3645 56.1764 30.2613 174.2287 26 Y 4.4170 7.6562 119.5226 56.3387 39.3956 174.8795 27 S 4.0750 8.0678 123.0565 56.8610 63.0072 170.9111 28 P 4.3387 0.0000 0.0000 63.4639 30.7359 176.0010 29 S 4.5155 8.2893 122.7144 57.9773 64.8339 174.3263 30 S 4.1030 8.6160 116.0718 60.4130 62.9004 173.4839 31 L 3.0821 7.6806 119.8006 54.7142 37.6303 171.5794 32 Q 4.3410 7.6904 117.7737 54.2152 31.3225 174.7163 33 V 4.4910 8.4591 118.6283 59.8028 34.0691 175.1132 34 D 4.9919 8.0177 120.0114 52.1497 41.7782 174.7340 35 D 4.5001 8.7523 116.5574 56.5420 41.8229 177.2872 36 N 4.8510 8.8790 116.4762 55.5372 40.0329 175.4148 37 H 4.7947 9.3879 123.6710 55.7645 29.2049 173.7196 38 R 4.6801 9.1671 123.4804 54.2669 32.7326 175.1405 39 I 4.7792 8.1971 125.5584 60.1906 39.0651 174.3497 40 Y 5.1684 8.9872 125.0035 56.1688 40.9163 174.7635 41 A 4.8814 9.5955 124.7382 50.2026 22.0548 175.2598 42 A 4.8704 9.2149 126.3679 51.3375 19.9285 176.0567 43 R 4.8631 8.9891 121.7885 55.5782 32.0210 175.9045 44 F 4.3811 8.8507 128.5331 56.5479 39.8322 175.0638 45 N 3.7852 8.6249 126.9207 54.4747 36.3622 174.4816 46 E 3.9771 8.0180 120.0678 56.3870 29.5693 175.2930 47 R 4.5127 7.7093 118.1453 53.9437 31.7245 175.2156 48 L 4.4038 8.4145 124.1254 55.2443 41.9503 176.3643 49 L 4.6224 9.0313 126.2092 55.7744 44.4806 175.7603 50 A 5.1658 7.6628 118.1315 50.5347 22.9092 174.9714 51 A 5.2560 9.1557 121.8614 50.2556 22.9439 175.7187 52 V 5.1133 8.9765 120.6650 60.1536 35.6530 174.3490 53 R 5.1480 9.0787 122.5108 54.4095 32.8106 175.1250 54 V 4.8907 8.9123 123.6321 60.3409 34.5285 174.9357 55 T 4.6409 9.3302 123.2910 61.8914 68.5996 174.3655 56 L 5.3327 8.6335 131.5799 52.7652 40.4667 176.7199 57 S 4.3978 7.9160 115.3629 59.2964 63.7028 176.5863 58 G 3.9647 8.8254 120.0370 47.1220 0.0000 173.0319 59 T 4.4340 8.7409 120.5288 62.7995 69.3145 172.2118 60 E 4.3950 7.9953 122.2883 54.6860 31.9782 175.3786 61 G 3.6296 8.4378 111.7448 44.6489 0.0000 172.4793 62 A 5.3975 8.9249 130.4563 50.1481 20.7776 175.5351 63 L 4.4168 9.4229 123.6701 54.9098 42.6697 175.9148 64 D 4.8618 9.0510 125.5995 54.1769 41.3958 175.6517 65 S 4.9462 7.8248 111.3354 56.4025 66.8717 172.4915 66 L 5.2289 8.5050 123.4684 53.7690 44.9014 175.3254 67 R 4.5466 9.3347 125.5701 54.5195 33.2121 174.9241 68 V 4.4727 8.2049 124.0015 61.0275 33.4854 175.4638 69 R 3.8473 8.7066 126.4780 56.7845 30.4107 177.1984 70 E 3.9484 9.0196 125.0512 59.7063 29.6466 178.9600 71 V 3.6456 7.6553 116.6242 65.5208 32.3256 176.5251 72 T 4.2221 7.7283 119.3507 62.3440 66.7128 174.4668 73 R 4.2640 7.3866 117.8488 55.1063 30.6220 176.0984 74 R 4.9476 7.2124 118.1382 56.7548 31.2162 173.7995 75 R 4.3695 7.7399 120.6925 56.5837 32.0149 176.0554 76 G 4.1728 8.3037 110.0933 46.1580 0.0000 176.3438 77 V 3.5662 7.8007 119.3441 66.0234 31.3672 178.1720 78 G 3.7032 8.1330 104.4288 48.2519 0.0000 175.4581 79 Q 4.1103 8.3169 120.8370 58.3380 28.7671 177.7910 80 Y 4.0253 8.5542 121.1293 60.6838 38.6968 178.1599 81 L 3.9131 8.4610 121.2676 58.1944 42.2707 178.8337 82 L 3.8989 7.9789 118.7805 57.8872 41.5872 179.4195 83 E 3.7429 8.4243 118.7924 59.2785 29.4952 178.9044 84 E 3.6415 8.1327 119.6793 59.1899 29.7039 179.0556 85 V 3.3664 7.7109 118.2155 66.0384 31.4111 177.9798 86 L 3.9098 7.3180 116.5458 56.8620 41.4520 178.8590 87 R 4.2142 7.7252 117.0274 57.4292 30.4270 177.2847 88 N 4.9860 7.8468 113.6522 52.2872 40.2824 174.9951 89 N 4.9602 7.8557 118.2940 50.6394 38.6665 172.3787 90 P 4.6314 0.0000 0.0000 62.5805 33.1957 175.8851 91 G 4.1886 8.9209 109.5847 45.7489 0.0000 173.9851 92 V 3.7339 7.2581 120.2369 62.7503 30.5171 174.9305 93 S 4.6704 8.2779 123.7813 58.8514 64.8835 173.0911 94 C 4.7262 7.8119 120.3067 57.6886 32.3493 172.1761 95 W 5.1059 8.9872 127.3280 55.1212 30.4922 175.2037 96 W 5.4491 9.7632 135.0000 55.9051 32.7208 174.1031 97 M 5.1358 8.9085 127.3056 53.4690 33.7447 175.5410 98 A 4.3484 8.9054 126.6881 51.4256 19.3329 177.1781 99 D 3.8195 8.5020 118.5697 53.6171 40.1732 177.7141 100 A 3.7876 8.8547 119.4480 52.4267 16.2136 177.1903 101 G 3.8789 8.7134 103.9220 47.0103 0.0000 174.6779 102 V 3.7576 7.8899 119.6841 62.7530 31.9237 176.0157 103 E 4.3658 8.7283 125.2223 57.9496 30.3187 176.9514 104 D 4.8132 7.9943 118.4435 54.6105 40.9942 178.0658 105 R 4.2213 7.9176 123.4385 59.1388 30.0667 178.7992 106 G 3.6681 8.1331 105.5141 47.8660 0.0000 175.7042 107 V 3.6551 7.7586 120.6726 65.7215 31.6242 177.7357 108 M 3.9377 8.3342 118.8017 58.9006 31.8615 178.9630 109 T 3.8931 8.7276 115.9110 66.4087 68.7079 176.5937 110 A 4.0074 7.9694 122.4101 55.0940 18.4760 179.4272 111 F 4.0491 8.3533 119.1226 61.6232 39.4586 177.2620 112 M 3.7842 8.2579 118.6203 58.5411 31.4964 178.8474 113 Q 4.1733 8.3937 116.8256 58.9076 28.9647 178.4035 114 A 4.0761 7.6753 120.2021 54.0536 18.4831 178.9923 115 L 4.0088 7.7486 118.4378 57.7363 42.9262 176.0490 116 G 2.8860 7.0584 107.7190 45.6044 0.0000 172.8204 117 F 4.9920 7.6451 117.3378 55.5766 42.7683 175.8395 118 T 4.8639 8.7029 116.6096 62.2362 72.1201 173.1985 119 T 4.8975 8.6567 121.2824 62.4674 69.6866 174.6416 120 Q 4.3417 9.0380 125.7549 54.8741 30.9687 175.1056 121 Q 3.6181 9.9252 123.4991 57.6260 26.6413 174.2334 122 G 4.1875 7.4402 103.6571 45.0242 0.0000 174.0670 123 G 3.3453 7.1194 105.2892 42.9033 0.0000 171.2458 124 W 5.2636 7.5744 120.2808 54.8978 31.5289 175.5345 125 E 5.3765 9.9773 125.0981 54.6074 32.8510 174.6599 126 K 4.4532 9.8359 127.4845 54.9315 34.1874 173.0769 127 C 4.8441 8.7225 126.0444 58.3558 32.0967 173.2928 128 G 3.8329 9.0339 115.6428 46.6363 0.0000 171.7442 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 M 8.30 4.52 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.79 0.00 2 K 8.32 4.24 0.00 1.80 1.75 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.51 7.81 3 L 8.87 4.34 0.00 1.47 1.53 1.04 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.40 4.29 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 1.23 0.00 0.00 5 I 8.36 4.60 1.96 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 1.29 0.77 0.93 0.00 0.00 6 I 9.09 4.75 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.99 0.91 0.00 0.00 7 R 8.41 4.54 0.00 1.59 2.09 0.00 3.06 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 8 L 8.53 3.99 0.00 1.42 0.66 1.06 0.99 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 9 E 8.34 4.27 0.00 1.88 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 2.21 2.42 0.00 10 K 7.35 4.60 0.00 1.60 1.63 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.42 7.81 11 F 8.89 4.68 0.00 2.98 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.64 4.63 0.00 4.12 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.50 4.43 0.00 2.74 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 14 Q 8.00 3.99 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 15 D 8.28 4.41 0.00 2.95 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 16 R 8.32 4.01 0.00 2.14 2.14 0.00 3.14 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 17 I 7.72 3.75 2.02 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.89 0.93 0.00 0.00 18 D 7.98 4.39 0.00 2.76 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 19 L 8.30 3.77 0.00 2.02 2.04 1.32 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 7.96 4.23 0.00 2.28 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.08 0.00 0.00 0.00 0.00 0.00 2.58 2.75 0.00 21 K 7.71 4.11 0.00 1.89 1.94 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.48 7.81 22 I 7.10 3.92 0.89 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.64 0.09 0.00 0.00 23 W 7.96 4.83 0.00 3.51 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 24 P 0.00 4.65 0.00 2.23 2.21 0.00 3.88 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.99 0.00 25 E 8.24 4.36 0.00 2.00 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 0.00 2.26 2.38 0.00 26 Y 7.66 4.42 0.00 3.00 3.13 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 27 S 8.07 4.07 0.00 3.74 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 28 P 0.00 4.34 0.00 2.23 2.18 0.00 3.79 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 1.99 2.04 0.00 29 S 8.29 4.52 0.00 3.95 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 30 S 8.62 4.10 0.00 3.80 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 31 L 7.68 3.08 0.00 1.14 0.13 0.87 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 7.69 4.34 0.00 1.88 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.83 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 33 V 8.46 4.49 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 1.15 0.00 0.00 1.11 0.00 0.00 34 D 8.02 4.99 0.00 2.77 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 35 D 8.75 4.50 0.00 2.66 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 N 8.88 4.85 0.00 2.88 2.76 0.00 0.00 7.78 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 37 H 9.39 4.79 0.00 3.21 3.30 0.00 5.76 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 9.17 4.68 0.00 1.89 1.47 0.00 3.43 0.00 0.00 3.33 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 39 I 8.20 4.78 2.03 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 1.39 0.85 1.14 0.00 0.00 40 Y 8.99 5.17 0.00 2.97 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 41 A 9.60 4.88 1.23 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 42 A 9.21 4.87 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 43 R 8.99 4.86 0.00 1.78 1.88 0.00 3.27 0.00 0.00 3.09 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 44 F 8.85 4.38 0.00 2.97 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 45 N 8.62 3.79 0.00 2.50 2.61 0.00 0.00 7.15 7.59 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 46 E 8.02 3.98 0.00 2.14 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 0.00 2.15 2.22 0.00 47 R 7.71 4.51 0.00 1.82 1.79 0.00 3.10 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 48 L 8.41 4.40 0.00 1.61 1.53 0.85 0.90 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 49 L 9.03 4.62 0.00 1.78 1.64 0.87 0.59 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 50 A 7.66 5.17 1.18 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 0.00 0.00 51 A 9.16 5.26 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 52 V 8.98 5.11 2.17 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 0.93 0.00 0.00 1.08 0.00 0.00 53 R 9.08 5.15 0.00 1.78 1.88 0.00 2.84 0.00 0.00 2.58 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.51 0.00 54 V 8.91 4.89 2.33 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 1.24 0.00 0.00 1.30 0.00 0.00 55 T 9.33 4.64 4.27 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 0.99 0.00 0.00 56 L 8.63 5.33 0.00 1.59 1.62 1.11 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.92 4.40 0.00 3.86 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 58 G 8.83 3.96 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 0.00 0.00 0.00 59 T 8.74 4.43 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 1.14 0.00 0.00 60 E 8.00 4.39 0.00 2.05 1.79 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 2.17 2.17 0.00 61 G 8.44 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 62 A 8.92 5.40 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 63 L 9.42 4.42 0.00 1.68 1.69 1.00 0.92 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 64 D 9.05 4.86 0.00 2.74 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.82 4.95 0.00 3.94 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 66 L 8.50 5.23 0.00 1.59 1.48 0.99 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 67 R 9.33 4.55 0.00 1.65 1.70 0.00 3.38 0.00 0.00 3.29 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.85 0.00 68 V 8.20 4.47 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 0.64 0.00 0.00 0.79 0.00 0.00 69 R 8.71 3.85 0.00 1.83 1.73 0.00 3.13 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 70 E 9.02 3.95 0.00 1.94 1.99 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 2.30 2.35 0.00 71 V 7.66 3.65 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 0.72 0.00 0.00 0.90 0.00 0.00 72 T 7.73 4.22 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 1.09 0.00 0.00 73 R 7.39 4.26 0.00 1.72 1.87 0.00 3.31 0.00 0.00 3.13 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 74 R 7.21 4.95 0.00 1.80 1.81 0.00 3.31 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.39 0.00 75 R 7.74 4.37 0.00 1.78 1.64 0.00 3.24 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.46 0.00 76 G 8.30 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 0.00 0.00 0.00 0.00 77 V 7.80 3.57 1.99 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 0.99 0.00 0.00 0.72 0.00 0.00 78 G 8.13 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.32 4.11 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.77 0.00 0.00 0.00 0.00 0.00 2.02 2.58 0.00 80 Y 8.55 4.03 0.00 2.98 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 81 L 8.46 3.91 0.00 2.00 1.90 0.96 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 82 L 7.98 3.90 0.00 1.91 1.75 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.42 3.74 0.00 1.95 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 2.18 2.41 0.00 84 E 8.13 3.64 0.00 1.53 1.86 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 2.13 2.19 0.00 85 V 7.71 3.37 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 0.84 0.00 0.00 0.81 0.00 0.00 86 L 7.32 3.91 0.00 1.45 1.46 0.00 0.44 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 87 R 7.73 4.21 0.00 1.80 1.91 0.00 3.06 0.00 0.00 3.12 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.79 0.00 88 N 7.85 4.99 0.00 2.74 2.83 0.00 0.00 6.98 7.69 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 89 N 7.86 4.96 0.00 3.25 3.00 0.00 0.00 7.33 7.28 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 90 P 0.00 4.63 0.00 2.19 2.09 0.00 3.57 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 2.00 2.11 0.00 91 G 8.92 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 7.26 3.73 1.64 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 -0.01 0.00 0.00 0.78 0.00 0.00 93 S 8.28 4.67 0.00 3.79 3.89 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 94 C 7.81 4.73 0.00 2.97 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 95 W 8.99 5.11 0.00 3.75 3.36 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 96 W 9.76 5.45 0.00 3.40 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 97 M 8.91 5.14 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.48 0.00 98 A 8.91 4.35 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 99 D 8.50 3.82 0.00 2.51 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 0.00 0.00 0.00 0.00 100 A 8.85 3.79 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 G 8.71 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 0.00 102 V 7.89 3.76 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 0.97 0.00 0.00 1.07 0.00 0.00 103 E 8.73 4.37 0.00 2.05 1.98 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 2.36 2.28 0.00 104 D 7.99 4.81 0.00 2.70 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 R 7.92 4.22 0.00 2.13 2.01 0.00 2.89 0.00 0.00 3.00 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.08 0.00 106 G 8.13 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 0.00 107 V 7.76 3.66 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 1.00 0.00 0.00 0.94 0.00 0.00 108 M 8.33 3.94 0.00 1.81 2.36 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.95 0.00 109 T 8.73 3.89 4.40 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 0.00 0.00 0.00 1.44 0.00 0.00 110 A 7.97 4.01 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 F 8.35 4.05 0.00 3.06 3.13 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 0.00 112 M 8.26 3.78 0.00 1.61 1.87 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.15 0.00 113 Q 8.39 4.17 0.00 1.97 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.08 0.00 0.00 0.00 0.00 0.00 2.45 2.61 0.00 114 A 7.68 4.08 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 0.00 115 L 7.75 4.01 0.00 1.12 1.59 0.74 0.95 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 0.00 116 G 7.06 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 0.00 0.00 0.00 117 F 7.65 4.99 0.00 2.83 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 0.00 118 T 8.70 4.86 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 119 T 8.66 4.90 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 1.04 0.00 0.00 120 Q 9.04 4.34 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.22 6.37 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 121 Q 9.93 3.62 0.00 2.30 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 122 G 7.44 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 G 7.12 3.35 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 0.00 124 W 7.57 5.26 0.00 3.12 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 0.00 125 E 9.98 5.38 0.00 2.56 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 2.46 2.64 0.00 126 K 9.84 4.45 0.00 1.83 1.85 0.00 0.61 0.00 0.00 0.95 0.00 0.00 2.28 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.27 1.14 7.81 127 C 8.72 4.84 0.00 3.13 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 0.00 128 G 9.03 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