NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4103 8.2893 120.3486 55.3787 33.0168 174.7229 2 N 4.6730 8.5704 124.0482 51.4250 38.9707 172.9935 3 I 4.6085 8.7781 120.9126 59.5974 41.9681 176.3106 4 I 4.3792 8.3223 123.6950 59.6239 38.5852 175.1525 5 K 4.4608 8.6162 124.8209 54.3905 34.0823 176.1589 6 A 4.5858 8.3915 126.3133 50.7707 20.9175 175.1372 7 N 5.0298 8.2378 117.1639 51.9615 41.6260 175.1024 8 V 3.8813 8.0961 114.0496 62.5034 32.3699 176.3562 9 A 4.2492 8.0234 123.6498 52.1046 18.7004 177.8972 10 A 4.5962 8.2620 121.6113 51.3106 21.6955 174.1257 11 P 4.8156 0.0000 0.0000 64.9080 32.1928 178.8905 12 D 4.5902 8.0861 115.4948 54.3489 40.4631 175.7119 13 A 4.6630 7.6757 124.5096 51.6904 20.4287 178.1954 14 R 4.8477 9.4946 120.6617 55.0768 32.6684 175.9456 15 V 4.9571 8.9971 124.3184 59.9944 34.9298 173.9196 16 A 4.8895 8.4796 128.2414 50.0663 21.5303 175.1484 17 I 4.7646 8.8604 123.8474 59.5582 39.4604 174.7050 18 T 4.8429 8.6309 117.5430 59.8971 71.0148 173.2418 19 I 5.2222 8.2931 126.2795 58.1929 40.5823 174.4928 20 A 5.0476 8.4743 128.1515 51.4074 19.0345 177.9321 21 R 4.4396 9.3064 119.4737 58.3369 30.2812 176.8590 22 F 4.6085 8.1811 121.6164 59.9359 39.6426 174.3551 23 N 4.7144 9.8457 124.1249 54.3611 35.5106 176.1145 24 Q 4.1533 8.3386 120.3734 59.4019 28.0597 177.9732 25 F 3.8118 8.4945 121.5544 61.2344 39.4697 176.5055 26 I 4.1882 8.2953 118.7463 63.8648 37.5398 177.8238 27 N 4.3743 8.2825 116.6266 56.2766 38.2730 176.9465 28 D 4.4680 8.8189 121.0433 57.6585 41.0043 178.8584 29 S 4.0932 7.9625 112.9598 61.0069 62.4281 175.5000 30 L 4.0690 7.7690 123.2109 58.5012 41.6699 178.3477 31 L 3.8675 8.4420 120.5867 57.6983 41.9973 178.6325 32 D 4.5065 8.4096 118.6714 57.3468 40.9269 179.6389 33 G 3.6338 8.1258 105.7774 47.8340 0.0000 175.2505 34 A 3.9324 7.8931 123.3500 54.6070 18.4797 179.4353 35 V 3.4614 7.9383 116.8213 66.2564 31.6152 177.4631 36 D 4.2916 8.1619 117.2280 57.6335 41.0072 177.5846 37 A 3.9122 8.3352 121.1902 55.7505 18.3186 179.0536 38 L 3.8432 8.4760 116.4329 59.3977 41.9671 179.7924 39 T 4.2012 8.3020 111.0489 63.8712 68.5607 176.1768 40 R 3.8731 8.0980 124.0592 58.2745 30.7128 178.0220 41 I 4.0908 8.0191 117.0018 63.4120 37.8726 177.0457 42 G 3.7907 7.9517 106.5806 44.8926 0.0000 173.8154 43 Q 3.7547 8.1546 119.4225 56.5641 27.9064 172.8280 44 V 3.9701 7.5430 116.7802 61.7960 32.2037 175.1987 45 K 4.3283 8.5832 128.9952 56.2628 32.5497 176.6574 46 D 4.6999 8.8150 124.1763 54.0398 39.0430 176.1707 47 D 4.8144 8.0010 116.9658 53.7597 40.0580 176.2364 48 N 4.7352 8.5840 117.5996 53.5379 39.3168 173.9894 49 I 4.9119 7.5796 120.3093 60.1283 38.5094 175.1540 50 T 4.7014 8.8693 117.3613 59.7058 71.8731 172.9767 51 V 4.5433 8.4320 124.0081 61.0558 34.0410 174.5717 52 V 4.2974 9.0117 129.1217 60.7491 33.6419 174.5517 53 W 4.8638 8.9724 129.1285 56.7020 29.5335 176.5342 54 V 4.3674 8.6380 119.0389 59.1087 33.6894 174.8126 55 P 4.3225 0.0000 0.0000 65.1012 31.3689 177.0074 56 G 4.4644 7.9674 108.3900 42.7549 0.0000 174.0697 57 A 4.0682 8.4840 120.5926 54.8785 18.0814 179.2836 58 Y 4.2025 8.1443 117.0392 60.6205 39.2747 177.3729 59 E 4.1229 8.2585 119.2383 58.0765 29.6097 178.6387 60 L 3.8846 7.5750 119.4319 58.0650 41.6114 177.1018 61 P 4.1668 0.0000 0.0000 64.9828 31.1047 177.9447 62 L 3.9182 7.7252 117.8962 58.4797 42.2775 179.1579 63 A 3.9814 7.8040 120.0702 55.6741 18.2788 179.8333 64 T 3.8149 8.2238 108.4160 64.5362 68.6962 176.1888 65 E 3.8430 9.0127 122.9038 59.1527 29.6315 178.2904 66 A 4.0104 8.0490 120.7284 55.6116 18.1737 179.5686 67 L 4.0702 7.5966 114.9066 57.9021 41.9195 179.5414 68 A 4.2094 8.2480 120.8488 55.2221 18.2357 179.8132 69 K 3.8906 8.1737 116.0517 59.6577 32.1326 178.9489 70 S 4.2057 8.1438 112.9521 59.4500 60.9487 175.8330 71 G 3.9831 8.4201 107.7980 45.7330 0.0000 175.4382 72 K 3.9127 7.7347 118.4190 58.2102 32.1870 176.6740 73 Y 5.0220 6.9237 114.7515 56.1657 40.5919 175.4222 74 D 4.7142 9.2765 122.1222 56.3822 41.8452 176.4790 75 A 4.5462 7.4477 117.1068 51.1596 22.5522 175.0946 76 V 4.7427 8.3643 120.0985 61.0378 34.5496 174.4907 77 V 4.3819 8.6435 128.1252 61.4402 33.3813 174.1530 78 A 4.9167 8.5467 130.3430 49.7512 20.7547 175.2614 79 L 5.2481 8.0766 123.3131 52.6412 44.3421 176.3537 80 G 4.1914 7.7232 108.3181 46.1867 0.0000 171.8951 81 T 5.0706 8.1822 116.4070 61.4891 71.7901 174.4732 82 V 4.2172 9.0743 125.1590 61.3456 34.1238 173.8386 83 I 4.7784 8.1880 128.6937 59.5412 38.6316 176.0206 84 R 3.6309 8.5275 127.9276 56.6306 30.2318 176.4375 85 G 4.4112 8.3685 116.0404 44.4797 0.0000 173.1196 86 G 3.6467 8.7848 107.8867 47.4179 0.0000 173.2601 87 T 4.5273 7.5822 108.3538 59.6576 71.5180 173.5602 88 A 4.4369 8.3742 121.2755 52.7877 18.7736 178.6608 89 H 4.2770 8.3460 119.8039 60.2247 29.7248 176.8838 90 F 4.0126 8.4928 121.9312 61.5960 38.9956 176.6747 91 E 3.6183 8.0869 118.4193 59.5191 29.3965 178.3748 92 Y 4.3259 7.4024 115.9143 60.6786 38.1799 177.6179 93 V 3.6722 7.6804 119.2963 65.9388 31.6103 177.8981 94 A 4.0961 7.7686 120.2571 55.0241 18.0762 179.7256 95 G 3.6102 8.0544 104.7246 47.8229 0.0000 176.0714 96 G 3.8705 8.5816 108.0425 45.7003 0.0000 174.7648 97 A 4.2719 7.6927 122.5718 54.3010 19.7353 179.1392 98 S 4.1270 8.2648 111.8508 61.8577 62.3916 176.2618 99 N 4.4400 8.4694 119.3406 55.9179 38.3163 177.4393 100 G 3.7326 7.7078 106.4624 48.0380 0.0000 175.5349 101 L 3.9877 7.9938 121.6980 57.2704 41.7878 179.5388 102 A 3.9923 8.0192 120.6220 55.0919 18.2641 179.5953 103 S 3.9520 8.2757 111.6691 61.5170 62.4835 176.1422 104 V 3.5488 7.7262 120.7583 66.2662 31.0800 177.7015 105 A 4.3289 7.7997 121.0509 54.8180 18.0119 179.4398 106 Q 3.8823 7.6315 116.1904 59.1367 29.1323 177.7819 107 D 4.5348 8.0240 119.4381 56.9057 41.2987 178.4152 108 S 4.3716 8.4213 112.8638 58.5273 63.5326 175.6589 109 G 3.9071 8.1991 109.5919 45.8164 0.0000 173.9506 110 V 3.9140 7.4411 121.0258 61.8080 32.9630 173.5864 111 P 4.5018 0.0000 0.0000 62.6399 32.4769 175.1524 112 V 4.8203 8.4099 123.6882 61.0187 34.0253 174.2326 113 A 4.4538 8.8939 130.3955 50.9281 20.4305 176.2278 114 F 4.8293 9.0165 126.7369 56.2618 38.4825 175.9115 115 G 3.9524 8.0992 118.3064 44.9066 0.0000 171.0004 116 V 4.6044 6.0826 117.6011 60.5869 33.8468 176.0493 117 L 4.2567 8.7540 129.5842 55.0933 42.7400 176.6427 118 T 5.2469 8.5235 113.1362 59.8407 68.7955 172.6026 119 T 4.6096 8.7026 121.1170 61.0153 71.9714 175.2191 120 E 4.0723 9.7174 120.4729 57.3227 30.4688 177.2130 121 S 4.7106 7.5827 111.9922 55.5955 67.6448 174.8157 122 I 3.6777 8.2167 123.0487 64.2477 36.5949 177.9509 123 E 3.9180 8.2044 119.0451 59.7762 29.6914 178.6687 124 Q 4.2812 8.0721 117.3600 58.7805 28.7758 178.5392 125 A 4.0063 7.7495 121.9063 55.4726 18.3397 179.6453 126 I 3.7456 7.8534 118.1392 64.7989 37.1262 178.5328 127 E 4.5777 8.0733 120.0535 58.0463 29.2999 178.4111 128 R 4.5385 8.0325 115.8192 55.6332 30.5940 176.6287 129 A 4.8081 7.2919 121.9767 52.7033 19.5368 177.1107 130 G 4.4565 8.0218 107.8903 48.0209 0.0000 175.3670 131 T 4.5896 7.5436 115.0011 60.0228 68.8733 175.7785 132 K 3.8178 9.1733 117.1262 59.3859 31.7960 177.7529 133 A 4.5459 7.8123 119.1918 52.0924 19.9630 179.0687 134 G 3.7436 8.1432 110.1179 47.4509 0.0000 174.0444 135 N 5.3265 8.2357 117.5989 50.8802 40.9090 175.5005 136 K 4.0279 8.9196 128.8145 59.1805 32.0703 178.9071 137 G 4.0767 8.2723 107.7711 47.3012 0.0000 175.5128 138 A 3.9594 7.8990 123.2251 54.3604 18.4411 179.2562 139 E 3.8714 8.3409 117.7971 59.3420 29.7335 178.8873 140 A 4.0706 8.5881 122.4571 54.3882 18.3955 179.4074 141 A 3.8988 8.2026 119.5379 55.3397 18.4142 179.9164 142 L 3.9358 8.0163 117.6662 58.1865 41.2281 179.9387 143 T 3.9259 8.0407 109.2622 64.2920 68.5259 176.4686 144 A 3.9622 7.8967 124.1023 55.0897 18.3530 179.2407 145 L 3.8654 7.8327 117.2409 58.1261 41.7273 179.2300 146 E 4.0915 8.4884 119.2931 59.9304 29.3739 178.8896 147 M 4.0389 7.9284 117.8316 58.3571 31.9501 178.4311 148 I 3.6989 7.6313 119.9715 64.8238 37.2876 178.1705 149 N 4.3297 7.9306 116.7863 56.2491 38.1651 177.5139 150 V 3.5751 7.8488 118.8843 66.1672 31.7817 177.8969 151 L 4.0806 8.3544 118.8043 57.7352 41.3937 179.1707 152 K 3.8660 8.2190 118.7473 59.5497 32.1079 177.0027 153 A 4.4655 8.0694 120.1360 51.7924 19.3814 177.2522 154 I 3.8732 7.7997 120.9177 63.1993 37.7549 173.9375 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 8.29 4.41 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 N 8.57 4.67 0.00 2.95 2.79 0.00 0.00 6.06 6.93 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 3 I 8.78 4.61 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.67 0.91 0.00 0.00 4 I 8.32 4.38 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.61 0.91 0.00 0.00 5 K 8.62 4.46 0.00 1.71 1.70 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.39 7.81 6 A 8.39 4.59 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 7 N 8.24 5.03 0.00 2.66 2.68 0.00 0.00 7.00 7.71 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 8 V 8.10 3.88 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 0.86 0.00 0.00 0.93 0.00 0.00 9 A 8.02 4.25 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 10 A 8.26 4.60 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 11 P 0.00 4.82 0.00 2.23 2.38 0.00 3.86 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 2.07 1.94 0.00 12 D 8.09 4.59 0.00 2.69 2.72 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 13 A 7.68 4.66 1.34 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 14 R 9.49 4.85 0.00 1.42 1.78 0.00 3.21 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 15 V 9.00 4.96 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 0.92 0.00 0.00 0.95 0.00 0.00 16 A 8.48 4.89 0.28 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 17 I 8.86 4.76 1.68 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.88 0.74 0.00 0.00 18 T 8.63 4.84 4.13 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 1.09 0.00 0.00 19 I 8.29 5.22 0.77 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 -0.08 0.43 0.00 0.00 20 A 8.47 5.05 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 21 R 9.31 4.44 0.00 2.08 2.51 0.00 2.86 0.00 0.00 3.11 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.63 0.00 22 F 8.18 4.61 0.00 3.16 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 23 N 9.85 4.71 0.00 2.97 3.02 0.00 0.00 6.87 8.18 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 24 Q 8.34 4.15 0.00 2.52 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 25 F 8.49 3.81 0.00 3.14 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 26 I 8.30 4.19 2.13 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 1.67 1.15 0.95 0.00 0.00 27 N 8.28 4.37 0.00 2.88 2.92 0.00 0.00 7.08 8.08 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 28 D 8.82 4.47 0.00 2.66 2.72 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 29 S 7.96 4.09 0.00 3.81 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 30 L 7.77 4.07 0.00 1.94 1.63 0.93 0.51 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 31 L 8.44 3.87 0.00 1.77 1.78 0.77 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.41 4.51 0.00 2.87 2.70 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 G 8.13 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 34 A 7.89 3.93 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 35 V 7.94 3.46 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 0.97 0.00 0.00 0.93 0.00 0.00 36 D 8.16 4.29 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 37 A 8.34 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 38 L 8.48 3.84 0.00 1.86 1.73 0.89 0.55 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 39 T 8.30 4.20 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 1.27 0.00 0.00 40 R 8.10 3.87 0.00 1.82 2.25 0.00 3.24 0.00 0.00 3.44 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 41 I 8.02 4.09 2.06 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.97 0.91 0.00 0.00 42 G 7.95 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 0.00 0.00 0.00 43 Q 8.15 3.75 0.00 2.35 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.95 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 44 V 7.54 3.97 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 0.88 0.00 0.00 0.99 0.00 0.00 45 K 8.58 4.33 0.00 1.80 1.68 0.00 1.93 0.00 0.00 1.87 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.37 7.81 46 D 8.82 4.70 0.00 2.83 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 47 D 8.00 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 48 N 8.58 4.74 0.00 2.86 2.98 0.00 0.00 6.91 7.30 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 49 I 7.58 4.91 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.53 0.89 0.00 0.00 50 T 8.87 4.70 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 1.49 0.00 0.00 51 V 8.43 4.54 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.83 0.00 0.00 52 V 9.01 4.30 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 0.93 0.00 0.00 0.86 0.00 0.00 53 W 8.97 4.86 0.00 3.22 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.64 4.37 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 0.83 0.00 0.00 1.08 0.00 0.00 55 P 0.00 4.32 0.00 2.19 2.31 0.00 3.75 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 2.16 2.04 0.00 56 G 7.97 4.46 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 0.00 0.00 0.00 57 A 8.48 4.07 1.34 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 58 Y 8.14 4.20 0.00 2.92 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 59 E 8.26 4.12 0.00 2.00 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 2.64 2.58 0.00 60 L 7.57 3.88 0.00 1.76 1.70 0.88 1.16 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 61 P 0.00 4.17 0.00 2.02 1.86 0.00 3.66 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.10 0.00 62 L 7.73 3.92 0.00 1.63 1.67 0.92 0.87 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 63 A 7.80 3.98 1.36 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 0.00 0.00 64 T 8.22 3.81 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 1.19 0.00 0.00 65 E 9.01 3.84 0.00 1.99 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 2.31 2.33 0.00 66 A 8.05 4.01 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 67 L 7.60 4.07 0.00 1.77 1.64 0.64 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.25 4.21 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 69 K 8.17 3.89 0.00 1.86 1.91 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.65 1.61 7.81 70 S 8.14 4.21 0.00 3.92 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 0.00 71 G 8.42 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 0.00 0.00 0.00 72 K 7.73 3.91 0.00 0.79 1.14 0.00 1.58 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.28 1.41 7.81 73 Y 6.92 5.02 0.00 3.00 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 74 D 9.28 4.71 0.00 2.55 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 75 A 7.45 4.55 1.19 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 76 V 8.36 4.74 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 0.98 0.00 0.00 0.84 0.00 0.00 77 V 8.64 4.38 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 0.89 0.00 0.00 0.88 0.00 0.00 78 A 8.55 4.92 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 79 L 8.08 5.25 0.00 1.51 1.40 0.85 0.88 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 80 G 7.72 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 81 T 8.18 5.07 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 1.19 0.00 0.00 82 V 9.07 4.22 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 0.89 0.00 0.00 0.87 0.00 0.00 83 I 8.19 4.78 1.85 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 1.24 0.69 0.85 0.00 0.00 84 R 8.53 3.63 0.00 0.67 1.37 0.00 3.06 0.00 0.00 2.97 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.17 0.00 85 G 8.37 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 86 G 8.78 3.65 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 0.00 0.00 0.00 87 T 7.58 4.53 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 88 A 8.37 4.44 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 89 H 8.35 4.28 0.00 3.25 3.41 0.00 5.63 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 F 8.49 4.01 0.00 3.10 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 91 E 8.09 3.62 0.00 1.94 1.12 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 2.01 2.18 0.00 92 Y 7.40 4.33 0.00 2.99 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 93 V 7.68 3.67 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 1.05 0.00 0.00 0.76 0.00 0.00 94 A 7.77 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.05 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 8.58 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 0.00 0.00 0.00 97 A 7.69 4.27 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 S 8.26 4.13 0.00 3.69 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 99 N 8.47 4.44 0.00 2.80 2.83 0.00 0.00 6.95 7.70 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 0.00 100 G 7.71 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 7.99 3.99 0.00 2.04 1.81 1.03 0.99 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 0.00 102 A 8.02 3.99 1.34 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 0.00 103 S 8.28 3.95 0.00 3.97 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 0.00 104 V 7.73 3.55 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 1.02 0.00 0.00 0.97 0.00 0.00 105 A 7.80 4.33 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 0.00 106 Q 7.63 3.88 0.00 2.07 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 107 D 8.02 4.53 0.00 2.70 2.70 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 0.00 108 S 8.42 4.37 0.00 4.01 4.04 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 0.00 109 G 8.20 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 0.00 110 V 7.44 3.91 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 1.01 0.00 0.00 0.99 0.00 0.00 111 P 0.00 4.50 0.00 2.12 1.96 0.00 3.80 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 112 V 8.41 4.82 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 0.81 0.00 0.00 0.98 0.00 0.00 113 A 8.89 4.45 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 0.00 114 F 9.02 4.83 0.00 3.00 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 0.00 115 G 8.10 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 0.00 116 V 6.08 4.60 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 -0.02 0.00 0.00 117 L 8.75 4.26 0.00 1.61 1.58 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 118 T 8.52 5.25 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 1.22 0.00 0.00 119 T 8.70 4.61 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 1.24 0.00 0.00 120 E 9.72 4.07 0.00 1.95 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 2.30 2.30 0.00 121 S 7.58 4.71 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 0.00 122 I 8.22 3.68 1.84 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 1.47 0.67 0.86 0.00 0.00 123 E 8.20 3.92 0.00 1.93 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 2.49 0.00 124 Q 8.07 4.28 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 125 A 7.75 4.01 1.36 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 0.00 0.00 126 I 7.85 3.75 2.01 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.44 0.99 0.00 0.00 127 E 8.07 4.58 0.00 2.27 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 128 R 8.03 4.54 0.00 1.86 1.94 0.00 3.12 0.00 0.00 3.19 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 129 A 7.29 4.81 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 0.00 130 G 8.02 4.46 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 0.00 0.00 0.00 131 T 7.54 4.59 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 1.23 0.00 0.00 132 K 9.17 3.82 0.00 1.77 1.96 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.49 7.81 133 A 7.81 4.55 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 0.00 134 G 8.14 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 0.00 0.00 0.00 135 N 8.24 5.33 0.00 2.69 2.65 0.00 0.00 6.93 6.83 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 0.00 136 K 8.92 4.03 0.00 1.83 1.82 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.47 7.81 137 G 8.27 4.08 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 0.00 138 A 7.90 3.96 1.36 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 0.00 0.00 139 E 8.34 3.87 0.00 2.05 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 2.31 2.33 0.00 140 A 8.59 4.07 1.34 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 0.00 141 A 8.20 3.90 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 0.00 142 L 8.02 3.94 0.00 1.87 1.72 0.91 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.04 3.93 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 1.24 0.00 0.00 144 A 7.90 3.96 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 L 7.83 3.87 0.00 1.86 1.87 1.00 0.89 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 0.00 146 E 8.49 4.09 0.00 2.00 1.97 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 2.32 2.38 0.00 147 M 7.93 4.04 0.00 2.09 2.35 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.90 0.00 148 I 7.63 3.70 2.05 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 1.67 0.88 0.92 0.00 0.00 149 N 7.93 4.33 0.00 2.82 2.86 0.00 0.00 6.73 8.26 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 0.00 150 V 7.85 3.58 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 0.83 0.00 0.00 1.00 0.00 0.00 151 L 8.35 4.08 0.00 1.95 1.69 0.92 0.76 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 0.00 152 K 8.22 3.87 0.00 1.82 2.08 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.50 7.81 153 A 8.07 4.47 1.36 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 0.00 0.00 154 I 7.80 3.87 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.72 0.91 0.00 0.00