NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3876 8.3344 115.4114 57.9490 64.2411 173.4409 2 M 4.0513 8.4420 122.8930 56.1481 29.9218 174.0706 3 Q 4.2445 8.3178 121.5049 56.1736 30.7381 175.7738 4 D 4.5289 7.5857 116.5650 50.8769 43.0123 173.3029 5 P 4.1687 0.0000 0.0000 65.6808 31.5683 178.1083 6 I 3.6359 7.8518 119.0860 64.1025 37.0299 177.6099 7 A 3.9094 8.3707 121.5034 55.4196 18.0432 178.8901 8 D 4.4632 7.4469 117.2645 57.1039 41.1571 178.0729 9 M 4.0582 7.6751 118.3387 58.7233 32.3464 177.8581 10 L 3.9124 7.8635 118.9860 58.0635 41.7871 179.6986 11 T 3.7978 8.3832 109.6258 64.9612 68.6472 176.0065 12 R 3.8617 8.5610 122.8124 59.0260 29.9425 178.2464 13 I 3.6871 7.8970 119.5770 64.3837 37.1769 178.4952 14 R 3.8634 7.7761 116.2223 59.6153 28.9558 178.4129 15 N 4.4219 8.5380 117.9348 55.7596 38.4871 177.7001 16 G 3.6205 8.1377 106.9532 48.1247 0.0000 175.6789 17 Q 4.0672 8.2876 121.1549 58.5789 28.3973 179.4654 18 A 4.0544 7.8605 120.7543 54.8925 18.6015 178.7147 19 A 4.3241 7.5656 115.5394 51.4289 18.9158 176.8985 20 N 5.0193 7.8008 113.1688 53.2907 36.8197 174.8380 21 K 4.0191 8.0981 117.2012 56.2820 32.2673 176.8020 22 A 4.0052 8.5310 126.2942 55.1220 19.3270 176.7323 23 A 5.1288 7.1889 121.0412 51.0959 22.5264 174.8135 24 V 4.3998 7.6956 111.5767 62.2997 35.0770 172.3350 25 T 5.8038 8.8903 111.7350 58.7281 72.1723 172.1940 26 M 4.2828 8.0060 119.1661 54.1413 33.5397 172.6425 27 P 5.2501 0.0000 0.0000 62.5276 31.4861 176.1426 28 S 4.5603 8.6757 120.1729 58.3520 64.2379 173.4016 29 S 4.5042 8.6657 111.0540 56.6169 64.1265 176.5592 30 K 3.9618 7.4085 119.0940 59.5431 32.4848 177.7285 31 L 3.8949 7.8853 119.5111 58.2637 42.3396 179.4092 32 K 3.8190 7.5437 117.2987 59.7099 31.9700 179.0678 33 V 3.3560 8.0844 118.1613 65.7748 31.4359 177.4533 34 A 3.9562 7.8992 120.2915 55.6035 18.3204 179.5805 35 I 3.5621 7.7692 117.5194 64.5827 37.2418 178.5361 36 A 3.7912 7.7549 121.4165 54.8241 17.9769 179.1801 37 N 4.2227 8.0077 115.9165 56.8649 39.0446 176.9406 38 V 3.6028 7.6351 119.6025 66.4001 31.5156 177.8815 39 L 4.2243 7.8386 118.0990 57.6805 41.3745 179.6219 40 K 4.1969 7.9274 119.0230 59.6739 32.1148 178.9020 41 E 4.0782 8.8292 117.7452 58.8381 29.4352 178.2355 42 E 4.3088 8.5128 116.7017 55.4192 31.0354 175.4533 43 G 3.4742 7.8983 106.2381 46.5824 0.0000 173.8934 44 F 4.9537 8.6309 113.9828 56.7098 41.6187 176.2352 45 I 4.6836 7.5924 112.8882 59.1210 40.2796 174.2021 46 E 4.0499 8.1870 124.4571 58.3729 29.5950 176.6507 47 D 4.7075 7.9887 115.0049 54.8040 46.1195 173.6707 48 F 5.7773 8.2761 111.9406 57.0331 41.0028 173.8889 49 K 4.3794 8.3700 120.8972 55.3151 35.3613 175.1513 50 V 4.5829 8.5785 128.0855 61.0918 31.3958 175.4075 51 E 4.2552 8.5427 129.6719 56.0176 32.3925 173.8395 52 G 4.4145 8.6557 109.3106 45.6366 0.0000 171.8124 53 D 4.5411 7.8452 118.4854 55.9293 42.7524 177.7435 54 T 3.8982 7.8323 115.1130 64.5144 68.0262 175.2865 55 K 4.3723 7.7524 124.7009 53.8557 32.0853 173.5508 56 P 4.7162 0.0000 0.0000 63.0237 32.6767 175.7953 57 E 5.0983 8.6976 122.9441 54.5387 33.5268 175.1099 58 L 4.6873 8.0641 119.7106 54.6144 43.8218 174.0919 59 E 4.4102 9.5534 125.8236 56.2907 27.1025 174.8797 60 L 4.8654 8.9015 126.2386 53.2593 41.7424 173.6459 61 T 4.2679 8.5305 113.5088 61.3351 69.7524 174.5749 62 L 4.5560 8.2924 125.4094 54.4298 43.0233 176.2784 63 K 4.8662 8.5056 121.5558 54.9559 35.8170 174.5170 64 Y 5.0488 8.6151 123.0669 55.9140 42.3893 174.7694 65 F 4.8149 9.0168 129.7975 59.8024 39.0585 176.3850 66 Q 4.3749 8.3829 122.4945 55.6034 27.6786 177.2531 67 G 3.9097 8.4513 111.7320 45.7475 0.0000 171.6454 68 K 4.3852 7.6449 118.7409 55.6467 35.3817 172.7616 69 A 4.5824 8.2817 123.2546 49.9565 20.4394 177.0144 70 V 3.7068 7.9998 122.9243 66.0394 31.5856 176.9512 71 V 4.0009 7.9168 120.8774 61.6881 29.7575 174.9570 72 E 4.1570 8.4748 123.5271 58.4153 30.3226 178.1198 73 S 4.5871 9.0797 114.6881 56.6495 66.4133 173.3661 74 I 4.6644 8.0074 127.3390 60.8100 40.2969 173.5115 75 Q 4.7137 8.4499 127.9533 53.5922 32.8726 175.3145 76 R 3.8470 8.3906 121.3303 57.0952 30.6735 174.3946 77 V 3.9488 8.2193 119.1776 63.3403 32.8527 175.9961 78 S 4.3004 7.6614 118.6404 57.1960 62.3677 174.8006 79 R 3.9490 7.7503 115.4322 55.3446 29.7185 174.0732 80 P 4.3318 0.0000 0.0000 63.1730 31.9815 177.1041 81 G 3.9546 8.6447 104.4563 45.6167 0.0000 173.6308 82 L 4.6489 6.9421 116.4409 54.8274 44.5117 173.4122 83 R 4.2257 7.8393 120.4668 56.1080 31.5709 176.5608 84 I 4.6542 8.1255 119.6620 60.1812 41.4261 174.0188 85 Y 4.7733 8.8497 123.9666 56.1031 40.8187 175.0222 86 K 4.9419 8.3758 121.1025 54.5823 35.9156 176.1678 87 R 4.4224 8.5429 120.7559 54.7899 31.3184 177.9278 88 K 3.6908 8.6432 118.7162 59.6947 32.3407 177.3727 89 D 4.8063 8.0239 116.2811 52.9292 39.5383 176.3218 90 E 4.5575 8.5773 118.7762 56.0324 31.5062 176.2805 91 L 3.8985 8.1342 118.5720 54.4955 41.9587 175.3983 92 P 4.3196 0.0000 0.0000 62.6529 31.9154 176.7454 93 K 4.2400 7.9853 120.6016 53.9452 31.6716 175.5421 94 V 3.1218 7.8946 122.5699 64.8289 32.6729 175.6370 95 M 3.0137 9.4618 124.5608 57.8823 30.2073 176.1584 96 A 3.8714 9.0136 115.3964 53.3101 16.8323 177.7575 97 G 4.1138 8.4259 108.5652 47.3357 0.0000 176.4916 98 L 3.8759 8.3284 118.3130 55.8509 41.7722 176.3354 99 G 4.3203 7.3425 107.0887 43.3312 0.0000 172.0260 100 I 4.8296 8.2423 111.1711 58.9426 40.6203 174.8652 101 A 4.7901 9.8202 127.2122 49.6696 20.7167 174.9303 102 V 3.8844 8.3756 121.2290 64.3271 32.7033 174.9829 103 V 4.8310 8.4649 127.1576 61.1025 35.0850 174.4102 104 S 4.7075 9.4224 123.7866 57.8422 62.9953 173.3092 105 T 4.7691 8.7613 118.7588 60.0751 70.8970 175.8732 106 S 4.3556 8.7969 115.6887 59.9526 62.5485 174.4817 107 K 4.3313 8.6664 116.6599 56.0537 33.1624 176.5398 108 G 3.9622 6.6810 106.1182 44.9254 0.0000 171.6283 109 V 4.4339 7.7136 120.5382 61.9888 31.0356 174.9330 110 M 4.9388 8.2161 125.3922 53.5665 34.7782 175.0299 111 T 4.5222 8.2429 108.0102 60.6549 71.4392 174.0566 112 D 4.2583 8.5381 119.5796 56.6875 38.8933 178.7573 113 R 3.8080 7.9377 118.3676 59.2242 30.4095 177.8244 114 A 3.9201 7.9202 119.4767 55.3039 18.1075 179.0525 115 A 3.9284 8.5178 117.3405 55.1471 18.4263 179.5106 116 R 3.8350 8.1318 116.1830 60.0609 30.2049 178.3529 117 Q 4.0954 8.0790 117.0301 58.9146 28.5861 178.3072 118 A 4.0809 7.8018 120.5727 53.5061 18.3282 177.9234 119 G 3.8288 8.6615 105.0218 45.5777 0.0000 172.9056 120 L 4.8266 7.6005 117.7940 54.0011 44.0313 174.6949 121 G 4.2610 8.3670 105.7054 45.2655 0.0000 171.3888 122 G 4.7757 7.8334 103.9375 46.5081 0.0000 171.2482 123 E 4.1545 8.7059 121.6056 55.6904 30.5296 177.5858 124 I 4.1996 7.6836 126.8403 62.1984 38.0254 175.6205 125 I 4.5535 8.5320 120.5573 62.5337 41.5221 175.3535 126 C 4.6188 7.5014 113.4768 58.0432 32.5286 172.3991 127 Y 4.9848 8.0179 117.7196 56.6153 38.9384 174.5210 128 V 4.1141 8.3426 124.5731 60.7723 31.2696 175.8394 129 A 4.1846 8.1409 128.3870 51.9892 18.1552 177.5388 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 S 8.33 4.39 0.00 3.99 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 2 M 8.44 4.05 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.67 0.00 3 Q 8.32 4.24 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.60 0.00 4 D 7.59 4.53 0.00 2.64 2.46 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 0.00 5 P 0.00 4.17 0.00 2.28 2.27 0.00 3.75 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 6 I 7.85 3.64 1.96 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.78 0.85 0.00 0.00 7 A 8.37 3.91 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 8 D 7.45 4.46 0.00 2.54 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 9 M 7.68 4.06 0.00 2.16 2.01 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.53 0.00 10 L 7.86 3.91 0.00 1.68 1.64 0.83 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.38 3.80 4.22 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 0.00 0.00 0.00 1.23 0.00 0.00 12 R 8.56 3.86 0.00 2.17 1.97 0.00 3.29 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 13 I 7.90 3.69 1.99 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.63 0.87 0.00 0.00 14 R 7.78 3.86 0.00 2.04 2.14 0.00 2.76 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.66 0.00 15 N 8.54 4.42 0.00 2.88 2.92 0.00 0.00 6.96 8.25 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 16 G 8.14 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 17 Q 8.29 4.07 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 18 A 7.86 4.05 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 19 A 7.57 4.32 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 20 N 7.80 5.02 0.00 2.83 2.75 0.00 0.00 6.98 7.45 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 21 K 8.10 4.02 0.00 1.85 1.94 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.57 7.81 22 A 8.53 4.01 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 23 A 7.19 5.13 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 24 V 7.70 4.40 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.95 0.00 0.00 25 T 8.89 5.80 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 1.24 0.00 0.00 26 M 8.01 4.28 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.31 0.00 27 P 0.00 5.25 0.00 2.10 2.16 0.00 3.37 0.00 0.00 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.81 0.00 28 S 8.68 4.56 0.00 3.92 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 29 S 8.67 4.50 0.00 3.95 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 30 K 7.41 3.96 0.00 1.86 1.72 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.52 1.56 7.81 31 L 7.89 3.89 0.00 1.78 1.64 0.91 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.54 3.82 0.00 2.21 1.81 0.00 1.81 0.00 0.00 1.54 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.44 7.81 33 V 8.08 3.36 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 1.17 0.00 0.00 1.01 0.00 0.00 34 A 7.90 3.96 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 35 I 7.77 3.56 1.92 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.27 0.85 0.00 0.00 36 A 7.75 3.79 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 N 8.01 4.22 0.00 2.78 2.99 0.00 0.00 6.79 7.26 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 38 V 7.64 3.60 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 1.10 0.00 0.00 1.04 0.00 0.00 39 L 7.84 4.22 0.00 1.94 1.82 0.85 0.68 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 40 K 7.93 4.20 0.00 2.10 2.22 0.00 1.92 0.00 0.00 1.95 0.00 0.00 2.98 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.55 1.60 7.81 41 E 8.83 4.08 0.00 1.98 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 2.69 2.55 0.00 42 E 8.51 4.31 0.00 2.15 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 2.55 2.57 0.00 43 G 7.90 3.47 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 0.00 0.00 0.00 44 F 8.63 4.95 0.00 3.17 2.95 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 0.00 0.00 0.00 45 I 7.59 4.68 2.14 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.59 0.97 0.00 0.00 46 E 8.19 4.05 0.00 2.17 2.14 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 2.45 2.52 0.00 47 D 7.99 4.71 0.00 2.78 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 48 F 8.28 5.78 0.00 3.14 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 49 K 8.37 4.38 0.00 1.79 1.88 0.00 1.44 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.48 7.81 50 V 8.58 4.58 2.19 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 1.08 0.00 0.00 1.01 0.00 0.00 51 E 8.54 4.26 0.00 2.10 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 52 G 8.66 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 0.00 0.00 0.00 0.00 53 D 7.85 4.54 0.00 2.65 2.58 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 54 T 7.83 3.90 4.25 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 1.22 0.00 0.00 55 K 7.75 4.37 0.00 1.82 1.76 0.00 1.74 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.35 7.81 56 P 0.00 4.72 0.00 2.13 2.20 0.00 3.66 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 57 E 8.70 5.10 0.00 1.98 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 2.25 2.12 0.00 58 L 8.06 4.69 0.00 1.81 1.52 0.88 0.92 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 59 E 9.55 4.41 0.00 2.20 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 2.36 2.36 0.00 60 L 8.90 4.87 0.00 1.90 1.59 0.86 0.63 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 61 T 8.53 4.27 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 1.27 0.00 0.00 62 L 8.29 4.56 0.00 1.98 1.68 1.05 0.93 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 63 K 8.51 4.87 0.00 1.90 1.79 0.00 1.67 0.00 0.00 1.85 0.00 0.00 2.85 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.52 7.81 64 Y 8.62 5.05 0.00 3.04 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 F 9.02 4.81 0.00 2.92 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 66 Q 8.38 4.37 0.00 1.74 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.50 0.00 0.00 0.00 0.00 0.00 1.74 1.16 0.00 67 G 8.45 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 68 K 7.64 4.39 0.00 1.86 1.74 0.00 1.65 0.00 0.00 1.87 0.00 0.00 3.01 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.46 1.53 7.81 69 A 8.28 4.58 1.01 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 0.00 0.00 70 V 8.00 3.71 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 0.88 0.00 0.00 1.01 0.00 0.00 71 V 7.92 4.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.95 0.00 0.00 72 E 8.47 4.16 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 2.29 2.27 0.00 73 S 9.08 4.59 0.00 3.79 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 74 I 8.01 4.66 1.71 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 1.15 1.07 0.83 0.00 0.00 75 Q 8.45 4.71 0.00 1.96 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 76 R 8.39 3.85 0.00 1.71 1.73 0.00 3.13 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 77 V 8.22 3.95 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 0.54 0.00 0.00 -0.26 0.00 0.00 78 S 7.66 4.30 0.00 3.69 3.74 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 79 R 7.75 3.95 0.00 1.90 1.87 0.00 3.03 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.58 0.00 80 P 0.00 4.33 0.00 2.22 2.22 0.00 3.83 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 2.04 1.94 0.00 81 G 8.64 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 82 L 6.94 4.65 0.00 1.51 1.51 0.90 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 83 R 7.84 4.23 0.00 2.01 1.64 0.00 3.33 0.00 0.00 3.46 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 84 I 8.13 4.65 1.74 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.23 0.90 0.00 0.00 85 Y 8.85 4.77 0.00 2.76 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 86 K 8.38 4.94 0.00 1.69 1.71 0.00 1.82 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.56 7.81 87 R 8.54 4.42 0.00 1.89 1.93 0.00 3.21 0.00 0.00 3.40 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.92 0.00 88 K 8.64 3.69 0.00 1.87 1.89 0.00 1.57 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.45 7.81 89 D 8.02 4.81 0.00 2.78 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.58 4.56 0.00 2.11 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 2.24 2.24 0.00 91 L 8.13 3.90 0.00 1.62 1.66 0.97 1.10 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 92 P 0.00 4.32 0.00 1.84 2.01 0.00 3.74 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 1.89 2.08 0.00 93 K 7.99 4.24 0.00 1.68 1.74 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.35 7.81 94 V 7.89 3.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.58 0.00 0.00 95 M 9.46 3.01 0.00 2.26 1.98 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 2.59 2.52 0.00 96 A 9.01 3.87 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 97 G 8.43 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.33 3.88 0.00 1.67 1.74 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 99 G 7.34 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 0.00 0.00 0.00 0.00 100 I 8.24 4.83 1.96 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.70 1.12 0.00 0.00 101 A 9.82 4.79 1.16 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 0.00 0.00 0.00 0.00 0.00 102 V 8.38 3.88 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 0.87 0.00 0.00 0.91 0.00 0.00 103 V 8.46 4.83 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 0.95 0.00 0.00 1.00 0.00 0.00 104 S 9.42 4.71 0.00 3.90 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 0.00 105 T 8.76 4.77 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 1.29 0.00 0.00 106 S 8.80 4.36 0.00 3.87 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 0.00 107 K 8.67 4.33 0.00 1.87 1.84 0.00 1.89 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.51 7.81 108 G 6.68 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 0.00 109 V 7.71 4.43 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 0.83 0.00 0.00 0.93 0.00 0.00 110 M 8.22 4.94 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.47 0.00 111 T 8.24 4.52 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 112 D 8.54 4.26 0.00 2.90 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 0.00 113 R 7.94 3.81 0.00 1.85 2.01 0.00 3.35 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 114 A 7.92 3.92 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 0.00 115 A 8.52 3.93 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 0.00 116 R 8.13 3.83 0.00 1.88 2.21 0.00 3.26 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 117 Q 8.08 4.10 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.49 0.00 0.00 0.00 0.00 0.00 2.38 2.59 0.00 118 A 7.80 4.08 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 0.00 119 G 8.66 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 0.00 120 L 7.60 4.83 0.00 1.56 1.61 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.37 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 0.00 0.00 0.00 0.00 122 G 7.83 4.78 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 0.00 0.00 0.00 123 E 8.71 4.15 0.00 1.88 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.91 0.00 124 I 7.68 4.20 1.81 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.64 1.06 0.00 0.00 125 I 8.53 4.55 1.97 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.92 0.85 0.00 0.00 126 C 7.50 4.62 0.00 2.98 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 0.00 127 Y 8.02 4.98 0.00 2.86 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 0.00 128 V 8.34 4.11 1.62 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 -0.53 0.00 0.00 0.70 0.00 0.00 129 A 8.14 4.18 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