NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.4269 8.3349 115.4129 58.3844 64.2169 173.0371 -1 N 4.4902 8.5494 115.8304 53.1533 38.6958 173.7361 0 A 4.6934 7.9446 120.8392 50.1095 23.3789 175.5388 1 M 4.5755 8.5326 120.5898 55.6323 33.1202 175.4743 2 Q 4.7905 9.1453 123.4450 53.9537 32.9281 174.3058 3 L 5.0244 8.3992 123.4165 53.5791 44.7600 175.2907 4 T 4.6036 8.5440 115.5234 59.9950 72.9175 172.4777 5 S 4.5597 7.6939 114.6195 56.3849 65.1601 174.7964 6 Q 4.0126 8.8319 125.1400 58.1732 28.7538 177.1846 7 A 4.4192 7.5743 120.2262 53.6173 19.2782 177.3314 8 F 4.7440 6.9219 106.2710 56.3136 40.8894 174.0884 9 S 4.5130 8.2697 119.1229 56.8308 64.4252 172.9245 10 Y 4.2023 8.4087 122.7472 59.6016 38.4989 176.5739 11 G 3.8529 8.6017 115.5843 45.5727 0.0000 172.9904 12 R 4.6237 7.7800 118.9298 53.6258 33.0098 173.9112 13 P 4.8125 0.0000 0.0000 62.1221 31.9367 176.7084 14 I 3.6233 8.5201 126.3488 60.2017 37.6848 174.6689 15 P 4.4477 0.0000 0.0000 62.3568 32.0912 177.1233 16 K 4.0300 8.7988 121.4237 58.7147 32.4205 178.6433 17 K 3.5204 7.8663 119.3575 59.1485 31.8921 176.9290 18 Y 4.9707 7.5045 113.1869 57.0300 38.3688 175.0443 19 S 4.4613 7.4963 116.4334 55.9932 65.1579 172.5260 20 C 4.3437 8.3162 114.7402 57.8134 41.3274 174.7896 21 Q 3.9809 7.8658 118.5706 56.8973 29.2261 176.2679 22 G 4.3102 7.3045 108.1595 44.6431 0.0000 174.0662 23 V 3.5836 8.3298 112.8188 62.6257 31.8068 176.7748 24 G 3.8330 8.1180 107.6030 46.2248 0.0000 173.7970 25 I 4.1590 7.5057 112.5980 59.1671 39.2021 174.8682 26 S 2.7900 7.7292 116.2392 57.1907 63.6506 172.0093 27 P 3.7265 0.0000 0.0000 61.2783 32.2512 174.0986 28 P 4.6546 0.0000 0.0000 63.1401 32.1103 175.5268 29 L 4.8353 8.9505 121.5940 53.1114 46.5375 175.4315 30 S 5.1795 8.9112 117.7209 56.7949 66.4595 172.8993 31 F 5.2581 9.4966 123.4053 56.0126 40.6596 175.3871 32 S 4.7032 8.6581 118.1329 56.8854 67.8119 173.3379 33 D 4.5327 8.7155 117.7817 55.2895 38.2832 174.1176 34 V 3.8131 7.8456 117.8278 61.7984 32.5226 173.7327 35 P 4.3572 0.0000 0.0000 62.6998 31.7834 177.4241 36 R 3.9482 8.5792 121.9326 59.4066 30.1473 177.4594 37 E 4.1103 8.1100 115.1357 57.6000 29.8577 176.9187 38 A 4.2973 7.7557 122.9825 52.4733 18.7325 177.3242 39 K 4.6250 8.8731 121.7056 56.8286 33.7497 176.2840 40 S 4.8031 7.6754 113.1369 57.4744 66.3600 173.3059 41 L 5.3294 8.7952 119.9910 52.9576 45.4004 175.8949 42 V 4.9701 8.8978 120.8393 61.0925 35.1698 173.9502 43 L 5.4658 9.3270 128.6862 53.4289 45.2726 174.9860 44 I 5.1437 9.2442 126.4250 59.5762 41.0131 174.3801 45 V 4.9835 9.1801 127.3701 61.0473 34.0834 174.1467 46 E 5.3200 9.4394 124.8018 55.1600 34.0234 173.7428 47 D 5.2924 9.7552 120.6807 50.9484 43.0723 174.1594 48 P 5.0583 0.0000 0.0000 62.9340 31.7682 176.4255 49 D 4.7698 8.3112 118.4356 53.8734 41.1590 176.8107 50 V 3.6749 7.5643 119.1820 60.9429 31.9805 174.2690 51 P 4.3144 0.0000 0.0000 62.1489 31.3661 175.7622 52 P 4.6470 0.0000 0.0000 65.0806 31.5412 178.2713 53 S 4.3390 8.0704 112.7113 60.1290 63.2383 174.9751 54 V 4.1595 7.7322 113.0015 61.5899 32.7309 176.0728 55 R 4.4755 7.6439 119.4847 54.9422 31.1021 174.5807 56 E 3.9565 8.9254 127.6641 59.1606 29.7476 177.4581 57 D 4.4866 8.1553 115.0727 53.2905 39.9646 176.3688 58 G 3.9432 8.6017 108.4937 46.1688 0.0000 173.0251 59 L 4.9507 8.3350 120.9116 52.9478 44.7098 174.8637 60 W 4.6186 9.1298 135.0000 55.6397 33.1015 174.4708 61 I 4.6686 8.6321 129.1803 61.3762 37.4033 176.2936 62 H 4.6322 9.7169 124.9079 57.0190 30.5508 175.0969 63 W 5.5013 7.8828 125.7101 56.5562 34.2009 173.0946 64 I 5.1561 8.7114 126.6603 59.5976 40.7352 174.4077 65 V 4.9514 8.8652 126.2349 61.3408 34.9746 173.6854 66 Y 5.1487 8.5691 124.7896 55.4313 42.2701 174.4271 67 N 4.4554 9.0810 113.1017 54.1315 36.2592 175.0112 68 L 4.0551 7.5306 117.6218 54.2731 42.5074 177.0074 69 S 4.3137 8.4470 116.8031 57.8990 62.7593 173.3330 70 P 4.3649 0.0000 0.0000 64.6137 31.2485 177.1401 71 V 4.3218 7.5965 112.7203 61.0607 31.7573 177.9803 72 V 3.3471 7.5563 122.9068 63.0615 31.3223 176.4085 73 S 4.2201 7.7920 118.1564 58.5619 62.3382 169.7845 74 N 5.5046 7.9467 117.3713 51.7524 41.4905 173.0749 75 L 4.8401 9.0355 124.8927 52.9101 43.9866 176.3271 76 A 4.6918 8.6497 126.1372 50.8954 20.1778 176.2818 77 E 4.1708 8.8118 117.7008 57.7708 29.9528 177.0892 78 G 3.8439 8.7249 109.6503 46.2460 0.0000 173.5427 79 A 4.2871 7.6856 121.5061 50.8898 19.1355 178.1975 80 Q 3.8448 8.4382 120.8730 56.1508 29.5558 175.8864 81 I 4.2437 7.8870 125.5617 60.0097 38.1791 176.6179 82 F 4.4150 8.2719 127.8397 54.3307 37.3429 174.1125 83 A 4.2716 6.9999 122.2384 51.7606 22.9207 175.5591 84 V 4.0635 7.7110 117.4402 61.6743 33.2754 175.2694 85 Q 4.9762 8.6222 126.3940 54.7974 31.3898 175.6092 86 G 4.3448 8.8393 111.3291 45.0040 0.0000 171.7082 87 L 5.2004 8.5520 120.5585 53.6494 42.9501 177.4923 88 N 4.7538 9.0597 121.6912 51.9739 38.9306 175.9924 89 T 3.4326 7.9354 114.0711 65.8008 68.1983 176.1052 90 A 4.1510 7.6924 122.7208 53.2009 18.4494 178.2918 91 G 3.8828 8.4055 104.1874 45.3113 0.0000 173.0774 92 E 4.7515 7.8566 117.9739 53.6770 32.6421 175.2172 93 I 4.2890 8.0510 120.5695 62.1520 38.8885 177.1304 94 G 4.0959 8.4845 113.6139 44.4018 0.0000 171.5475 95 Y 3.9929 8.1377 119.8921 57.1024 39.2294 174.8749 96 C 4.6103 7.8161 127.8936 56.5795 33.2900 171.8129 97 P 3.9227 0.0000 0.0000 61.4586 32.2336 174.3573 98 P 3.8388 0.0000 0.0000 62.9744 32.0190 177.4834 99 C 4.8687 7.9670 122.5809 54.9356 44.1535 171.9245 100 P 4.3762 0.0000 0.0000 62.0773 31.9234 175.5026 101 P 4.4652 0.0000 0.0000 63.8878 31.9591 176.2839 102 D 4.7282 7.5940 115.3858 52.7427 41.0454 174.9542 103 A 4.2265 7.2094 120.6283 51.3748 21.4380 175.2932 104 K 4.2708 8.6959 121.1141 57.0268 32.8425 175.5988 105 H 5.2007 9.1113 122.8085 54.1209 32.2688 172.9337 106 R 4.7118 8.8097 119.7964 55.0554 32.3081 175.0630 107 Y 4.7167 8.8323 121.6529 56.4942 40.6030 174.1486 108 Y 4.9167 9.0529 123.2125 56.3808 40.3777 174.8146 109 F 5.0952 9.5791 123.1782 56.0430 41.6691 173.9293 110 Y 5.2352 9.2619 122.3324 56.0904 40.5387 174.7915 111 A 5.4254 8.9358 125.8960 50.4551 22.3386 174.8469 112 Y 5.2146 9.1568 117.8618 56.2047 42.1700 174.2938 113 A 5.0289 9.1238 126.2122 50.6572 21.1142 175.9321 114 L 5.2881 8.8882 122.6919 52.6688 44.9689 176.3501 115 D 5.1359 8.7035 120.8355 53.5449 40.5609 175.9420 116 V 4.5164 7.4882 110.4041 60.4762 36.1698 174.1393 117 V 4.2229 8.1470 122.1044 61.6231 32.3342 175.9281 118 L 4.2982 8.8825 128.1153 53.7996 42.4290 176.8056 119 S 4.0758 8.4014 114.9864 58.7919 62.6579 174.0651 120 D 4.7285 8.5057 126.2718 53.2537 39.9787 174.9552 121 E 4.7650 9.0109 125.1125 54.3409 33.0934 176.1814 122 E 4.3222 8.7804 122.3086 56.7954 30.6555 176.2516 123 G 3.8789 8.7132 106.8465 46.4829 0.0000 173.8231 124 V 3.9368 7.7639 120.2278 62.3999 32.1728 175.8303 125 T 4.6127 8.5730 118.2254 60.2346 71.5133 175.6994 126 K 3.7644 8.4331 121.9859 59.7705 32.1392 178.1329 127 E 3.8478 8.1077 118.7915 59.5709 29.5679 178.7220 128 Q 3.9388 7.8591 117.4409 58.7085 28.6880 178.5048 129 L 3.6938 8.0178 121.5464 58.1038 42.0091 179.0240 130 L 3.7896 8.0197 119.1747 57.6516 41.2566 179.1877 131 E 3.8537 7.7474 117.7766 59.2220 29.6749 178.4965 132 A 4.0773 7.7416 119.7506 55.2885 18.6228 179.2563 133 M 4.1600 8.1571 117.4904 56.9723 31.8648 176.4708 134 D 4.3417 7.0271 118.7510 56.1745 41.4925 176.6768 135 G 3.8876 9.2187 114.7129 45.6210 0.0000 172.9476 136 H 5.0340 8.1486 114.2235 54.0551 30.5376 173.2510 137 I 4.5436 7.7938 121.7285 61.0871 37.1997 175.3542 138 I 4.4641 8.6093 119.2633 61.4495 39.1735 175.4608 139 A 4.6700 7.6141 122.3751 51.4407 22.3021 174.7874 140 T 5.1767 8.4213 112.8466 60.7126 71.2184 172.3915 141 A 4.8403 8.7345 125.0562 50.7653 23.2782 174.7566 142 E 5.1922 8.6356 118.9175 54.6485 33.0916 174.2365 143 L 5.1390 9.2083 127.5159 53.6090 46.2044 174.6461 144 M 5.0975 7.8715 122.6553 53.8120 35.8783 173.8821 145 G 4.3304 9.0930 111.3566 44.7216 0.0000 171.2302 146 T 5.3308 8.5100 110.3845 60.1594 72.2918 172.7027 147 Y 4.6718 9.0210 122.6463 56.1080 42.7443 173.6124 148 E 4.4464 7.2534 125.3938 53.9201 32.7304 175.0622 149 K 4.4016 8.6989 126.0535 56.5053 32.8809 176.6250 150 D 4.4963 8.5532 121.3615 53.4689 39.3044 175.7190 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ -2 S 8.33 4.43 0.00 3.99 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 -1 N 8.55 4.49 0.00 2.80 2.89 0.00 0.00 6.54 6.46 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 A 7.94 4.69 1.20 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 0.00 0.00 1 M 8.53 4.58 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.51 0.00 2 Q 9.15 4.79 0.00 1.97 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.86 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 3 L 8.40 5.02 0.00 1.43 1.42 0.12 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.54 4.60 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 1.11 0.00 0.00 5 S 7.69 4.56 0.00 3.10 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 Q 8.83 4.01 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 7 A 7.57 4.42 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 8 F 6.92 4.74 0.00 3.14 3.05 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 0.00 0.00 0.00 9 S 8.27 4.51 0.00 3.96 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 10 Y 8.41 4.20 0.00 2.97 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 11 G 8.60 3.85 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 0.00 0.00 0.00 12 R 7.78 4.62 0.00 1.97 1.91 0.00 3.34 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.80 0.00 13 P 0.00 4.81 0.00 1.92 1.91 0.00 3.74 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.91 0.00 14 I 8.52 3.62 1.84 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.09 0.89 0.00 0.00 15 P 0.00 4.45 0.00 2.22 2.02 0.00 4.02 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.24 0.00 16 K 8.80 4.03 0.00 1.88 1.82 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.48 7.81 17 K 7.87 3.52 0.00 1.45 0.84 0.00 1.49 0.00 0.00 1.27 0.00 0.00 3.25 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.98 1.22 7.81 18 Y 7.50 4.97 0.00 3.03 3.01 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 S 7.50 4.46 0.00 3.10 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 20 C 8.32 4.34 0.00 3.01 3.14 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 21 Q 7.87 3.98 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.65 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 22 G 7.30 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 0.00 0.00 0.00 0.00 23 V 8.33 3.58 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 0.66 0.00 0.00 0.87 0.00 0.00 24 G 8.12 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 25 I 7.51 4.16 1.84 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.18 0.90 0.00 0.00 26 S 7.73 2.79 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 3.73 0.00 1.82 1.51 0.00 3.31 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 28 P 0.00 4.65 0.00 2.00 2.05 0.00 3.04 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.95 0.00 29 L 8.95 4.84 0.00 1.51 1.17 1.14 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.91 5.18 0.00 3.54 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 31 F 9.50 5.26 0.00 2.80 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 32 S 8.66 4.70 0.00 3.73 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 33 D 8.72 4.53 0.00 2.97 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 34 V 7.85 3.81 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 0.81 0.00 0.00 1.00 0.00 0.00 35 P 0.00 4.36 0.00 2.23 1.98 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 2.15 2.11 0.00 36 R 8.58 3.95 0.00 1.77 1.97 0.00 3.24 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 37 E 8.11 4.11 0.00 2.01 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 2.32 2.26 0.00 38 A 7.76 4.30 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 39 K 8.87 4.63 0.00 1.58 1.85 0.00 1.84 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.36 7.81 40 S 7.68 4.80 0.00 3.86 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 41 L 8.80 5.33 0.00 1.31 1.37 0.45 1.03 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 42 V 8.90 4.97 2.32 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 1.15 0.00 0.00 1.00 0.00 0.00 43 L 9.33 5.47 0.00 1.88 1.36 1.21 0.62 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 44 I 9.24 5.14 2.29 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 1.23 0.83 1.11 0.00 0.00 45 V 9.18 4.98 2.28 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 0.39 0.00 0.00 1.10 0.00 0.00 46 E 9.44 5.32 0.00 2.26 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 0.00 2.50 2.50 0.00 47 D 9.76 5.29 0.00 2.79 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 48 P 0.00 5.06 0.00 2.24 2.16 0.00 3.71 0.00 0.00 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 49 D 8.31 4.77 0.00 2.51 2.43 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 50 V 7.56 3.67 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.95 0.00 0.00 51 P 0.00 4.31 0.00 2.19 2.03 0.00 3.56 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.44 0.00 52 P 0.00 4.65 0.00 2.23 2.33 0.00 3.70 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 53 S 8.07 4.34 0.00 4.01 4.05 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 0.00 0.00 0.00 54 V 7.73 4.16 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 0.66 0.00 0.00 0.99 0.00 0.00 55 R 7.64 4.48 0.00 2.32 1.99 0.00 3.22 0.00 0.00 3.07 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.87 0.00 56 E 8.93 3.96 0.00 1.99 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 2.31 2.32 0.00 57 D 8.16 4.49 0.00 2.81 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 58 G 8.60 3.94 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 0.00 0.00 0.00 59 L 8.34 4.95 0.00 1.60 1.54 1.10 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 60 W 9.13 4.62 0.00 3.59 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 61 I 8.63 4.67 1.79 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 1.16 0.77 1.03 0.00 0.00 62 H 9.72 4.63 0.00 3.14 3.42 0.00 5.65 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 W 7.88 5.50 0.00 3.56 3.08 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 64 I 8.71 5.16 1.99 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 1.32 0.77 1.03 0.00 0.00 65 V 8.87 4.95 1.77 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 0.76 0.00 0.00 0.08 0.00 0.00 66 Y 8.57 5.15 0.00 2.92 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 67 N 9.08 4.46 0.00 2.61 2.86 0.00 0.00 7.29 7.86 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 68 L 7.53 4.06 0.00 1.73 1.35 0.66 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 69 S 8.45 4.31 0.00 3.81 3.68 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 70 P 0.00 4.36 0.00 2.20 2.13 0.00 3.75 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 1.96 2.00 0.00 71 V 7.60 4.32 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 0.81 0.00 0.00 0.90 0.00 0.00 72 V 7.56 3.35 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 0.38 0.00 0.00 1.00 0.00 0.00 73 S 7.79 4.22 0.00 4.02 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 74 N 7.95 5.50 0.00 2.76 2.70 0.00 0.00 6.88 7.82 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 75 L 9.04 4.84 0.00 1.72 1.73 1.05 0.83 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 76 A 8.65 4.69 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 77 E 8.81 4.17 0.00 2.38 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 0.00 2.34 2.39 0.00 78 G 8.72 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 79 A 7.69 4.29 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 80 Q 8.44 3.84 0.00 1.88 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.33 0.00 0.00 0.00 0.00 0.00 1.19 2.00 0.00 81 I 7.89 4.24 1.88 0.00 0.00 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 1.69 1.35 0.89 0.00 0.00 82 F 8.27 4.41 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 83 A 7.00 4.27 1.15 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 0.00 0.00 84 V 7.71 4.06 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 0.88 0.00 0.00 0.57 0.00 0.00 85 Q 8.62 4.98 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.47 0.00 0.00 0.00 0.00 0.00 2.49 2.40 0.00 86 G 8.84 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 87 L 8.55 5.20 0.00 1.51 1.60 0.92 0.97 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 88 N 9.06 4.75 0.00 3.19 3.06 0.00 0.00 6.79 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 T 7.94 3.43 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 -0.21 0.00 0.00 90 A 7.69 4.15 1.48 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 0.00 0.00 91 G 8.41 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 92 E 7.86 4.75 0.00 2.00 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 2.31 2.22 0.00 93 I 8.05 4.29 1.92 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 1.44 0.83 0.95 0.00 0.00 94 G 8.48 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 0.00 0.00 0.00 0.00 95 Y 8.14 3.99 0.00 1.43 2.35 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 96 C 7.82 4.61 0.00 2.92 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 97 P 0.00 3.92 0.00 1.91 2.05 0.00 3.64 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.90 0.00 98 P 0.00 3.84 0.00 1.39 0.94 0.00 3.52 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.82 0.00 99 C 7.97 4.87 0.00 2.75 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 0.00 100 P 0.00 4.38 0.00 2.23 1.73 0.00 3.97 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.34 0.00 101 P 0.00 4.47 0.00 2.17 2.17 0.00 3.68 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.88 0.00 102 D 7.59 4.73 0.00 2.78 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 0.00 103 A 7.21 4.23 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 0.00 104 K 8.70 4.27 0.00 1.85 1.73 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.43 7.81 105 H 9.11 5.20 0.00 2.89 2.80 0.00 5.67 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 0.00 106 R 8.81 4.71 0.00 1.83 1.51 0.00 3.19 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 107 Y 8.83 4.72 0.00 3.00 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 0.00 108 Y 9.05 4.92 0.00 2.77 2.18 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 0.00 109 F 9.58 5.10 0.00 2.95 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 0.00 110 Y 9.26 5.24 0.00 3.00 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 0.00 111 A 8.94 5.43 1.40 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 0.00 0.00 0.00 112 Y 9.16 5.21 0.00 2.95 2.86 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 0.00 113 A 9.12 5.03 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 0.00 114 L 8.89 5.29 0.00 1.73 1.58 0.92 1.14 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 0.00 115 D 8.70 5.14 0.00 2.83 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 0.00 116 V 7.49 4.52 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 0.57 0.00 0.00 0.70 0.00 0.00 117 V 8.15 4.22 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 0.84 0.00 0.00 0.93 0.00 0.00 118 L 8.88 4.30 0.00 1.84 1.55 0.74 0.70 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 0.00 119 S 8.40 4.08 0.00 3.83 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 D 8.51 4.73 0.00 2.68 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 9.01 4.76 0.00 2.05 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 2.37 2.41 0.00 122 E 8.78 4.32 0.00 1.98 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 2.31 2.33 0.00 123 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 0.00 124 V 7.76 3.94 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 0.85 0.00 0.00 1.01 0.00 0.00 125 T 8.57 4.61 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 1.18 0.00 0.00 126 K 8.43 3.76 0.00 1.84 1.82 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.49 7.81 127 E 8.11 3.85 0.00 2.02 1.89 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 2.33 2.36 0.00 128 Q 7.86 3.94 0.00 2.24 2.05 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 2.33 2.32 0.00 129 L 8.02 3.69 0.00 1.63 1.70 0.51 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 130 L 8.02 3.79 0.00 1.76 1.59 0.84 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 131 E 7.75 3.85 0.00 1.89 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 0.00 2.28 2.32 0.00 132 A 7.74 4.08 1.21 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 0.00 0.00 133 M 8.16 4.16 0.00 1.93 2.06 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.41 0.00 134 D 7.03 4.34 0.00 2.63 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 0.00 135 G 9.22 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 0.00 0.00 0.00 136 H 8.15 5.03 0.00 3.27 3.36 0.00 5.62 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 0.00 137 I 7.79 4.54 1.92 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 1.50 0.46 1.08 0.00 0.00 138 I 8.61 4.46 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.66 1.00 0.00 0.00 139 A 7.61 4.67 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 0.00 140 T 8.42 5.18 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 1.22 0.00 0.00 141 A 8.73 4.84 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 0.00 142 E 8.64 5.19 0.00 2.18 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 2.56 2.45 0.00 143 L 9.21 5.14 0.00 1.84 1.35 0.74 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 144 M 7.87 5.10 0.00 0.73 0.98 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.76 0.00 145 G 9.09 4.33 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 0.00 146 T 8.51 5.33 4.29 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 1.15 0.00 0.00 147 Y 9.02 4.67 0.00 3.01 2.86 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 0.00 148 E 7.25 4.45 0.00 1.76 1.51 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 2.07 2.24 0.00 149 K 8.70 4.40 0.00 1.79 1.76 0.00 1.77 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.66 1.68 7.81 150 D 8.55 4.50 0.00 2.67 2.50 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