NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1C H 4.7841 8.4449 117.8367 56.2383 29.9932 172.9485 1D H 4.5331 8.7369 119.1719 55.9028 29.5622 173.0565 1E H 5.0939 7.5910 115.3883 53.6202 33.5645 171.9287 1F H 4.6590 8.9117 116.9645 55.9149 29.0067 174.3651 1G F 4.9735 8.4313 119.4244 57.8847 39.9299 174.0578 2 N 4.6576 8.5316 116.9910 52.3109 39.2317 174.4835 3 L 4.7900 8.0689 123.0718 51.9916 44.1515 174.6124 4 P 4.6168 0.0000 0.0000 61.5727 33.0150 175.3597 5 P 4.4510 0.0000 0.0000 61.8261 31.2821 176.2297 6 G 3.8926 8.6749 108.9750 45.3103 0.0000 170.2824 7 N 4.1847 7.8811 112.9991 52.3515 39.0103 174.2987 8 Y 4.8135 8.0884 118.3997 58.2656 38.7762 176.5431 9 K 4.0893 8.6982 122.3898 58.7258 32.2565 177.1393 10 K 4.7422 7.5873 115.1832 53.2238 35.5628 173.7928 11 P 4.6911 0.0000 0.0000 63.2091 32.2750 175.1823 12 K 4.9249 9.4481 119.5668 55.0838 37.4372 174.8757 13 L 5.0146 9.1920 120.8348 53.1271 44.9035 176.0154 14 L 5.1613 8.6866 122.2931 53.5237 43.6709 174.4648 15 Y 5.0182 9.5677 126.8575 56.1062 40.9884 173.7362 16 C 3.9553 8.2132 127.8686 57.4224 32.3265 174.6626 17 S 3.7815 7.6143 122.1728 60.8261 62.8858 175.3796 18 N 4.1819 7.9254 118.6759 56.1106 38.3447 175.4600 19 G 3.9326 7.0867 101.5144 43.4650 0.0000 172.2747 20 G 3.3153 7.8514 107.1973 44.7909 0.0000 172.9987 21 H 4.9628 7.1107 113.9962 53.5877 33.3209 174.0598 22 F 5.3550 9.0051 120.1482 56.0733 40.6348 175.2639 23 L 4.6212 9.1903 125.7376 55.3341 43.2752 175.6501 24 R 4.9051 9.3575 126.0314 54.6320 33.8048 173.9090 25 I 4.7514 8.2349 126.2294 59.3693 39.0149 175.6802 26 L 4.0888 8.7605 127.9027 53.4656 42.3543 176.7817 27 P 4.1723 0.0000 0.0000 66.0378 31.2402 177.3954 28 D 4.5103 7.9451 113.5743 53.8047 39.4598 177.0034 29 G 4.2343 8.4911 110.1537 45.4063 0.0000 174.1280 30 T 4.2638 8.3705 117.4663 63.4001 69.0791 173.5358 31 V 4.8194 7.8831 123.8764 61.2832 34.5675 174.5295 32 D 4.5982 8.4434 124.4529 53.0918 42.8222 174.1685 33 G 4.6188 8.4707 104.7907 45.4201 0.0000 172.5808 34 T 4.9859 8.8186 114.9543 60.6405 71.1014 174.5396 35 R 4.3046 8.8591 124.7836 56.4550 30.9241 176.1663 36 D 4.6817 8.2103 119.7842 53.1208 40.4385 177.0349 37 R 3.6820 8.6162 127.0056 58.4703 30.2324 178.1148 38 S 4.3320 8.3487 111.2415 58.6084 63.6475 174.1551 39 D 4.3664 7.6970 121.8489 55.0426 41.1897 176.0864 40 Q 4.3163 8.4706 123.0121 56.5845 29.4757 175.9986 41 H 4.8290 9.3779 116.0988 55.4666 28.9895 175.6705 42 I 4.5296 7.3801 111.6546 60.2284 38.1391 175.4941 43 Q 4.2011 7.8613 122.0910 55.9107 29.6036 174.9470 44 L 4.9823 8.9796 124.1122 52.7718 45.9884 175.3384 45 Q 4.7927 9.2350 123.5286 54.4658 31.2615 174.3613 46 L 5.5141 8.9012 126.3432 53.0529 43.8390 176.1320 47 S 4.4243 8.2041 114.5672 56.7680 66.8492 172.2920 48 A 5.3134 7.8458 123.2818 49.9061 19.5677 176.8983 49 E 4.0040 8.6722 122.9832 59.0082 30.1876 177.0168 50 S 4.6069 7.4274 112.2079 56.3993 67.1594 173.2566 51 V 3.7707 8.3521 121.6279 64.9306 31.4068 176.4836 52 G 3.9727 9.1847 115.0163 45.2932 0.0000 171.7587 53 E 5.1955 8.3144 120.3708 54.7149 32.0504 175.6405 54 V 4.8812 8.9082 116.2903 60.0687 37.0644 173.7094 55 Y 5.5263 8.6857 119.3334 56.5761 41.3175 175.3206 56 I 4.5302 8.5810 122.3714 59.5918 40.3027 174.1440 57 K 4.7734 8.6566 128.8508 53.9963 35.3643 175.1014 58 S 4.5502 8.8896 122.8587 58.6069 62.6061 174.9672 59 T 3.8148 8.5846 118.5795 64.5289 68.7732 175.8832 60 E 4.0655 8.3347 122.6012 58.2589 29.8887 176.9572 61 T 4.3317 8.1460 106.4134 60.7027 70.1774 175.4245 62 G 3.8301 8.2809 110.2687 45.2599 0.0000 173.7922 63 Q 4.4052 7.6387 118.9750 56.0627 30.2815 174.6369 64 Y 4.7909 8.8918 120.5316 56.2052 40.1839 175.1234 65 L 4.3925 9.1579 126.2812 55.4349 43.4753 175.5356 66 A 5.1285 8.5524 125.5891 50.9283 23.2418 174.4453 67 M 5.3787 8.5783 119.8048 53.8370 34.5579 175.8001 68 D 5.2671 9.5796 126.7431 52.5581 41.1170 176.8732 69 T 3.9807 8.5912 112.8459 64.8740 67.2160 174.0356 70 D 4.7889 8.8112 119.9058 53.9110 41.0653 177.1846 71 G 3.3510 8.5713 107.5157 45.4616 0.0000 173.4762 72 L 4.6944 7.7354 119.7063 53.3874 42.9227 175.9234 73 L 5.0864 8.3602 122.9410 55.0920 42.7621 175.5787 74 Y 4.9800 9.0103 119.7966 55.9819 42.0684 173.5335 75 G 4.1848 8.9127 108.4644 45.2656 0.0000 173.1877 76 S 5.0971 8.9636 121.2024 56.8720 64.0425 175.2527 77 Q 4.2220 8.9806 125.1365 58.0289 29.0336 176.2496 78 T 4.7032 7.4039 106.7740 58.5255 71.8046 171.7169 79 P 3.4668 0.0000 0.0000 62.2293 31.9456 175.2051 80 N 5.0140 8.0424 118.8524 50.7008 40.5607 174.6059 81 E 3.9617 8.6968 115.2450 59.0332 29.6710 177.7210 82 E 4.1401 8.6788 118.5434 57.7316 29.8162 177.4278 83 C 4.9268 7.8037 114.9690 59.1835 29.0508 173.3407 84 L 4.5301 7.3729 121.3314 53.8237 42.7223 175.6916 85 F 5.2726 9.0170 121.9350 55.5602 43.3592 174.4389 86 L 4.7826 9.3877 123.3411 53.8551 42.6330 175.5260 87 E 4.5460 9.1240 127.2742 55.2978 30.2206 175.7034 88 R 4.8477 8.6554 125.5563 54.0317 34.7309 174.7253 89 L 4.7347 8.5768 123.3742 55.2767 43.1412 175.7654 90 E 4.7141 9.0320 123.9960 55.3680 33.6862 174.7127 91 E 4.0178 9.7733 123.1318 57.6766 27.3609 174.4268 92 N 4.3272 8.5772 110.6037 54.2582 36.5545 174.1192 93 H 4.8059 8.6433 116.3861 57.8633 35.9178 173.5459 94 Y 4.6675 7.8947 115.7989 57.6452 39.9795 173.3154 95 N 5.6977 9.7488 117.8782 51.9216 41.4543 174.5269 96 T 5.3206 8.9240 112.7394 60.1670 72.8358 172.6357 97 Y 5.0211 8.7045 119.3927 56.6425 41.4146 174.1858 98 I 4.6622 8.5567 125.9124 59.1321 39.6894 175.5269 99 S 4.1273 8.8799 122.3346 58.5673 62.4478 174.1080 100 K 3.9950 8.7612 129.1807 59.3424 32.3145 178.7247 101 K 3.7670 7.9375 118.3552 59.1043 32.2199 176.7707 102 H 4.7694 8.0666 113.4265 54.2877 29.3854 176.0722 103 A 3.9445 7.6979 125.9352 55.3880 18.2249 180.9397 104 E 3.6905 7.9310 112.8904 58.6712 29.6547 178.2437 105 K 4.1869 7.7890 117.2718 55.5089 32.7137 175.8254 106 N 3.9345 7.6312 115.5589 53.9625 36.4394 174.5976 107 W 5.1440 7.7118 117.5940 55.9289 30.9783 177.2257 108 F 5.4369 9.4295 124.0267 55.5924 41.5636 175.4150 109 V 4.0986 9.0019 121.6436 62.7574 32.5122 175.2240 110 G 4.5175 8.6283 112.5633 45.5590 0.0000 171.6378 111 L 5.3554 7.9803 120.3220 52.5280 44.8901 177.1032 112 K 4.2535 8.9923 122.3006 55.2417 33.3260 178.3696 113 K 3.7906 8.4831 119.2033 59.4243 31.9340 178.3891 114 N 4.6926 8.0718 113.6721 52.6244 37.7386 175.9274 115 G 3.5143 8.2883 108.9834 45.2423 0.0000 173.9177 116 S 4.6286 8.0296 114.8074 57.5481 64.1635 173.4914 117 C 4.7495 8.3405 119.6941 59.9747 28.6654 173.3138 118 K 4.4077 8.7946 122.4561 55.4920 33.2081 176.5727 119 R 4.0828 8.5735 124.1507 55.9351 31.3066 177.1640 120 G 3.2776 8.6775 116.5302 48.2172 0.0000 174.2207 121 P 4.2468 0.0000 0.0000 64.3913 31.3995 177.5176 122 R 4.3112 7.9066 115.9481 56.3403 30.2710 176.1123 123 T 5.1209 7.4436 108.1166 59.6338 71.1301 173.1035 124 H 4.7724 7.8265 115.1168 54.9759 30.5135 173.0743 125 Y 3.8831 8.7127 118.3382 59.8930 38.0715 177.2377 126 G 4.0220 9.0226 111.6238 45.3661 0.0000 173.8085 127 Q 4.2690 7.3642 118.8782 55.0530 29.9463 176.9840 128 K 3.8313 8.2374 118.5064 58.5963 32.9240 179.4805 129 A 3.8518 7.7699 121.7668 54.5238 18.3351 178.4489 130 I 4.4464 7.1504 105.9474 60.4466 36.9508 175.3336 131 L 4.3155 7.3247 123.3627 53.8971 42.4725 175.8076 132 W 5.3000 9.4324 124.2236 54.8405 33.0912 174.8964 133 L 5.2728 9.2336 122.0982 52.3762 44.6066 174.2178 134 P 5.1727 0.0000 0.0000 62.7406 32.4841 175.7255 135 L 4.9958 9.3242 122.3935 52.0728 45.8583 174.4727 136 P 4.6048 0.0000 0.0000 62.6513 32.3438 176.9812 137 V 3.7557 8.1715 114.0716 61.8164 31.6033 176.3766 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 1C H 8.44 4.78 0.00 3.10 3.45 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1D H 8.74 4.53 0.00 3.22 3.23 0.00 5.64 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 1E H 7.59 5.09 0.00 3.17 3.35 0.00 5.71 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1F H 8.91 4.66 0.00 3.33 3.41 0.00 5.66 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1G F 8.43 4.97 0.00 2.90 3.09 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 2 N 8.53 4.66 0.00 2.96 2.78 0.00 0.00 6.85 6.74 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 3 L 8.07 4.79 0.00 1.46 1.40 0.55 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.62 0.00 2.16 2.11 0.00 3.68 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.91 0.00 5 P 0.00 4.45 0.00 2.16 1.96 0.00 3.89 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 1.94 1.93 0.00 6 G 8.67 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 7 N 7.88 4.18 0.00 2.61 2.65 0.00 0.00 5.77 7.55 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 8 Y 8.09 4.81 0.00 3.02 3.24 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 0.00 9 K 8.70 4.09 0.00 1.81 1.91 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.58 7.81 10 K 7.59 4.74 0.00 1.70 1.68 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.39 7.81 11 P 0.00 4.69 0.00 2.06 2.04 0.00 3.71 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 12 K 9.45 4.92 0.00 1.63 1.75 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.61 7.81 13 L 9.19 5.01 0.00 1.67 1.75 0.49 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.69 5.16 0.00 1.47 1.48 0.17 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 9.57 5.02 0.00 3.20 3.12 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 0.00 0.00 0.00 0.00 16 C 8.21 3.96 0.00 1.24 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 0.00 0.00 0.00 0.00 17 S 7.61 3.78 0.00 3.75 3.90 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 18 N 7.93 4.18 0.00 2.51 2.57 0.00 0.00 6.74 7.98 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 19 G 7.09 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 0.00 0.00 0.00 20 G 7.85 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 0.00 0.00 0.00 21 H 7.11 4.96 0.00 2.96 3.23 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 9.01 5.36 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 23 L 9.19 4.62 0.00 1.67 1.46 0.92 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 24 R 9.36 4.91 0.00 1.94 2.05 0.00 3.24 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.80 0.00 25 I 8.23 4.75 1.84 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 1.17 0.74 0.89 0.00 0.00 26 L 8.76 4.09 0.00 1.79 1.51 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.17 0.00 2.00 2.12 0.00 3.52 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.99 0.00 28 D 7.95 4.51 0.00 2.77 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 29 G 8.49 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.37 4.26 4.30 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 1.22 0.00 0.00 31 V 7.88 4.82 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 0.90 0.00 0.00 1.00 0.00 0.00 32 D 8.44 4.60 0.00 2.73 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.47 4.62 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 34 T 8.82 4.99 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 1.38 0.00 0.00 35 R 8.86 4.30 0.00 1.89 2.00 0.00 3.20 0.00 0.00 3.12 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 36 D 8.21 4.68 0.00 2.84 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.62 3.68 0.00 1.82 1.84 0.00 3.38 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.81 0.00 38 S 8.35 4.33 0.00 3.94 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 39 D 7.70 4.37 0.00 2.79 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 40 Q 8.47 4.32 0.00 1.88 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.01 0.00 0.00 0.00 0.00 0.00 2.29 2.22 0.00 41 H 9.38 4.83 0.00 3.33 3.49 0.00 5.79 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.38 4.53 1.91 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.14 1.05 0.00 0.00 43 Q 7.86 4.20 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.86 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 44 L 8.98 4.98 0.00 1.58 1.42 0.77 0.69 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 45 Q 9.23 4.79 0.00 2.06 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 46 L 8.90 5.51 0.00 1.81 1.69 0.89 1.11 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 47 S 8.20 4.42 0.00 3.82 3.90 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 48 A 7.85 5.31 1.09 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 0.00 0.00 49 E 8.67 4.00 0.00 1.70 1.84 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 1.62 1.47 0.00 50 S 7.43 4.61 0.00 3.94 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.35 3.77 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 0.93 0.00 0.00 1.03 0.00 0.00 52 G 9.18 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 53 E 8.31 5.20 0.00 2.05 1.72 0.00 0.00 0.00 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 2.28 0.00 54 V 8.91 4.88 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 0.72 0.00 0.00 1.25 0.00 0.00 55 Y 8.69 5.53 0.00 3.00 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 56 I 8.58 4.53 1.70 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.71 0.63 0.00 0.00 57 K 8.66 4.77 0.00 1.25 1.48 0.00 1.22 0.00 0.00 0.61 0.00 0.00 2.57 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.00 1.08 7.81 58 S 8.89 4.55 0.00 3.84 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 59 T 8.58 3.81 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 60 E 8.33 4.07 0.00 1.96 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 2.20 2.34 0.00 61 T 8.15 4.33 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 62 G 8.28 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 63 Q 7.64 4.41 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.76 0.00 0.00 0.00 0.00 0.00 2.52 2.33 0.00 64 Y 8.89 4.79 0.00 2.78 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.16 4.39 0.00 1.58 1.48 0.78 0.28 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 66 A 8.55 5.13 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 M 8.58 5.38 0.00 2.29 2.28 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.72 0.00 68 D 9.58 5.27 0.00 2.91 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 69 T 8.59 3.98 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 1.26 0.00 0.00 70 D 8.81 4.79 0.00 2.76 2.62 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 71 G 8.57 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 72 L 7.74 4.69 0.00 1.97 1.63 0.91 0.61 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 73 L 8.36 5.09 0.00 1.58 1.62 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 74 Y 9.01 4.98 0.00 2.98 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 75 G 8.91 4.18 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 0.00 76 S 8.96 5.10 0.00 3.83 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 8.98 4.22 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.56 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 78 T 7.40 4.70 4.16 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 1.22 0.00 0.00 79 P 0.00 3.47 0.00 1.59 0.49 0.00 3.49 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.59 0.00 80 N 8.04 5.01 0.00 2.88 2.89 0.00 0.00 6.01 7.66 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 81 E 8.70 3.96 0.00 2.03 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 2.24 2.25 0.00 82 E 8.68 4.14 0.00 2.29 2.34 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 2.39 2.34 0.00 83 C 7.80 4.93 0.00 3.13 3.09 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 84 L 7.37 4.53 0.00 1.42 1.40 0.80 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 85 F 9.02 5.27 0.00 3.08 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 86 L 9.39 4.78 0.00 1.54 1.62 0.90 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 87 E 9.12 4.55 0.00 2.13 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 2.17 1.83 0.00 88 R 8.66 4.85 0.00 1.78 1.80 0.00 3.18 0.00 0.00 2.91 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.64 0.00 89 L 8.58 4.73 0.00 1.62 1.61 0.98 0.73 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 90 E 9.03 4.71 0.00 2.25 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 2.29 2.43 0.00 91 E 9.77 4.02 0.00 2.40 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 2.29 2.38 0.00 92 N 8.58 4.33 0.00 2.85 2.89 0.00 0.00 6.85 8.16 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 93 H 8.64 4.81 0.00 2.85 2.98 0.00 5.94 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 7.89 4.67 0.00 3.06 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 95 N 9.75 5.70 0.00 3.04 2.58 0.00 0.00 6.96 7.68 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 96 T 8.92 5.32 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 97 Y 8.70 5.02 0.00 2.76 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 98 I 8.56 4.66 1.69 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 0.47 -0.26 0.55 0.00 0.00 99 S 8.88 4.13 0.00 4.11 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 0.00 100 K 8.76 4.00 0.00 1.74 1.68 0.00 1.70 0.00 0.00 1.47 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.31 7.81 101 K 7.94 3.77 0.00 1.76 1.64 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.91 1.25 7.81 102 H 8.07 4.77 0.00 2.94 2.11 0.00 5.71 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.70 3.94 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 0.00 104 E 7.93 3.69 0.00 1.86 1.75 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 2.16 2.12 0.00 105 K 7.79 4.19 0.00 0.83 1.57 0.00 1.50 0.00 0.00 1.50 0.00 0.00 2.13 0.00 0.00 2.15 0.00 0.00 0.00 0.00 1.21 0.98 7.81 106 N 7.63 3.93 0.00 3.04 3.09 0.00 0.00 6.90 6.95 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 0.00 107 W 7.71 5.14 0.00 3.31 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 0.00 108 F 9.43 5.44 0.00 2.83 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 0.00 109 V 9.00 4.10 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 0.63 0.00 0.00 0.47 0.00 0.00 110 G 8.63 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 7.98 5.36 0.00 1.27 1.42 1.00 1.06 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 0.00 112 K 8.99 4.25 0.00 1.85 1.67 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.35 7.81 113 K 8.48 3.79 0.00 1.76 1.83 0.00 1.60 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.66 1.45 7.81 114 N 8.07 4.69 0.00 2.80 2.89 0.00 0.00 6.19 7.00 0.00 0.00 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 G 8.29 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 S 8.03 4.63 0.00 4.01 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 0.00 117 C 8.34 4.75 0.00 2.89 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 K 8.79 4.41 0.00 1.73 1.69 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.33 7.81 119 R 8.57 4.08 0.00 1.79 1.63 0.00 3.20 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.56 0.00 120 G 8.68 3.28 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 0.00 121 P 0.00 4.25 0.00 1.91 2.18 0.00 3.01 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 122 R 7.91 4.31 0.00 1.82 1.92 0.00 3.28 0.00 0.00 3.24 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 123 T 7.44 5.12 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 1.24 0.00 0.00 124 H 7.83 4.77 0.00 3.39 3.53 0.00 5.47 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.71 3.88 0.00 3.13 2.91 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 0.00 126 G 9.02 4.02 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 0.00 0.00 0.00 127 Q 7.36 4.27 0.00 1.82 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.72 0.00 0.00 0.00 0.00 0.00 2.17 2.03 0.00 128 K 8.24 3.83 0.00 1.61 1.63 0.00 1.51 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.26 7.81 129 A 7.77 3.85 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 0.00 130 I 7.15 4.45 1.72 0.00 0.00 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.84 0.62 0.00 0.00 131 L 7.32 4.32 0.00 1.12 0.65 0.33 0.69 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 0.00 132 W 9.43 5.30 0.00 3.67 3.34 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 0.00 133 L 9.23 5.27 0.00 1.92 1.71 1.10 0.70 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 0.00 134 P 0.00 5.17 0.00 2.16 2.19 0.00 3.83 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 135 L 9.32 5.00 0.00 1.66 1.61 1.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.60 0.00 1.93 1.98 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 137 V 8.17 3.76 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 0.67 0.00 0.00 0.91 0.00 0.00