NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6654 8.2893 120.3272 55.3356 33.3776 174.3008 2 D 4.9065 8.9285 122.7613 50.3225 42.6810 173.4135 3 E 4.0116 9.4759 118.8906 59.5995 30.1155 180.8826 4 I 3.7461 7.8544 119.5644 64.3808 37.2398 177.8791 5 D 4.3631 8.5076 119.7229 57.3989 40.6552 178.7732 6 L 4.0355 7.7276 119.2745 58.0134 41.6061 179.8696 7 R 4.0286 7.9612 117.5963 59.1337 29.8812 179.3093 8 I 3.7549 7.6368 119.4611 64.5054 37.2369 178.4641 9 L 3.9760 8.3910 120.1959 57.6926 41.2184 179.5165 10 K 4.0658 8.4520 118.8014 58.7208 32.3396 178.2930 11 I 4.3154 7.2322 119.3486 63.8097 37.4709 178.0118 12 L 4.3432 8.2350 120.0563 57.5796 41.1882 179.3781 13 Q 3.8876 8.1046 116.6963 58.3858 28.4800 177.4817 14 Y 4.4569 7.0999 118.0320 58.4276 38.8861 175.6360 15 N 4.5341 8.0784 120.4433 52.3675 40.4199 173.3852 16 A 4.4711 8.5566 127.8995 52.3661 19.1415 176.8507 17 K 4.4254 7.9471 116.9592 56.4928 32.3717 175.9993 18 Y 4.6931 7.6424 114.2059 56.5187 39.3537 175.9222 19 S 4.5742 8.3757 116.4706 57.8152 65.7704 175.2416 20 L 4.0215 8.4286 123.2709 58.1812 41.3628 179.5579 21 D 4.3870 8.0623 118.3415 57.4990 40.6807 178.5823 22 E 3.9283 8.1565 119.0757 59.3580 29.4479 179.4977 23 I 3.6188 7.8149 119.7952 63.9889 37.1668 178.2294 24 A 3.9742 8.5368 122.0585 55.3337 18.0552 179.7774 25 R 3.8651 7.9266 115.6811 59.0728 30.1098 178.0261 26 E 4.0785 7.5975 119.1406 58.4220 29.8835 177.6517 27 I 4.1073 7.6152 109.5994 59.5790 39.5107 175.2697 28 R 3.8313 7.9812 119.0945 56.8028 27.3516 175.2587 29 I 4.6694 7.0243 109.0441 57.4072 41.3110 174.3455 30 P 4.3377 0.0000 0.0000 62.7108 32.9876 177.7338 31 K 3.9459 8.7053 122.1096 59.5830 32.1359 179.3797 32 S 4.2326 8.0218 114.3469 61.5264 63.0268 176.6034 33 T 3.9360 7.7143 118.8549 66.2523 68.3422 176.1288 34 L 3.9218 8.0718 122.3806 58.5047 42.1231 178.8815 35 S 4.0878 8.4967 113.2536 61.5556 62.3042 175.6177 36 Y 4.0578 8.0078 122.0742 60.8571 38.6234 178.0884 37 R 3.6222 8.4660 119.3602 59.1684 30.1303 179.2171 38 I 3.6713 7.9247 119.6164 64.3047 37.1568 178.4429 39 K 4.1571 8.1219 120.8911 58.8017 31.8814 179.4604 40 K 3.9655 7.6856 118.6323 59.6420 32.5208 179.2020 41 L 3.9374 7.7811 120.2873 57.6455 41.5894 179.3697 42 E 4.2736 8.0238 119.7706 58.8493 29.2149 179.4719 43 K 4.0946 7.7015 117.2630 59.5090 32.2452 178.4043 44 D 4.6767 8.5080 115.9559 54.0572 40.7753 177.1976 45 G 3.8921 7.7860 107.4503 46.0440 0.0000 175.3342 46 V 3.5504 8.0787 121.2007 64.9579 31.6763 176.2448 47 I 4.1038 7.4405 122.1242 59.6461 37.2600 176.1840 48 K 4.0564 8.4693 125.2807 56.1748 32.5112 177.1541 49 G 3.8086 6.1400 105.8825 45.5424 0.0000 170.6682 50 Y 4.4392 8.0318 116.0343 56.1639 40.7521 174.9628 51 Y 5.0844 8.3713 120.7829 56.0487 41.5203 174.6159 52 A 4.4636 8.4783 124.5192 51.1444 20.0800 176.6506 53 Y 4.5122 8.5818 124.5070 56.6938 38.6110 174.4170 54 I 3.9820 7.6963 128.4912 59.1675 38.8132 175.3054 55 N 4.0890 8.1465 123.7177 52.6448 39.1983 173.7498 56 P 4.1956 0.0000 0.0000 65.4387 31.3931 178.4411 57 A 4.0122 7.9026 119.3604 55.2434 18.1576 179.5163 58 S 4.3985 7.7268 112.1435 60.5149 62.8552 175.7425 59 L 4.5568 7.3858 119.3643 53.4702 42.2403 175.6152 60 N 4.3340 8.4679 116.0333 54.5007 36.4773 174.3716 61 L 4.3491 7.7451 119.7974 54.5806 39.2528 175.9486 62 D 4.4628 8.4165 121.8448 56.0104 43.0176 175.3424 63 Y 4.1727 8.6220 121.8368 56.4364 38.5802 172.8871 64 I 4.9565 7.7330 125.5925 59.3138 39.5808 174.7997 65 V 4.6359 8.5689 126.0663 59.9468 35.1810 174.4015 66 I 4.6718 8.5783 124.7544 60.2542 38.9807 174.5246 67 T 5.1384 8.9114 124.9024 61.8993 71.2924 173.7798 68 S 5.2275 9.2565 122.3871 57.1113 65.3378 173.2370 69 V 4.8226 9.2389 124.7210 61.1221 34.2317 174.1070 70 K 4.9931 9.6025 127.9577 55.1174 33.7239 175.6345 71 A 5.1219 8.6146 126.4273 50.1101 21.3549 176.4673 72 K 4.2483 8.7507 120.8944 56.1971 32.5340 177.2296 73 Y 4.3187 9.1258 123.6744 56.9962 38.6981 175.7006 74 G 4.3913 9.8906 114.4508 45.0625 0.0000 172.6729 75 K 3.6498 8.7592 117.1212 57.0907 34.2836 174.4568 76 N 4.0629 8.5637 108.5811 54.1538 36.3649 175.1022 77 Y 4.5771 7.2986 113.8412 59.7637 40.1063 178.3900 78 H 4.3770 8.7371 114.2293 57.9226 27.8801 177.3629 79 V 3.5774 5.7698 123.1645 66.6553 31.7080 175.1149 80 E 4.0499 8.2458 118.0248 59.7450 29.3323 179.2289 81 L 3.9571 7.8786 119.7596 57.7279 42.0695 179.0544 82 G 3.0387 7.1768 104.5589 47.8406 0.0000 175.4913 83 N 4.3639 7.8720 118.5523 55.6285 38.3741 177.5930 84 K 4.1927 7.5526 119.1778 59.1084 32.2486 179.1123 85 L 4.0484 7.8331 119.3491 57.5936 41.3608 179.2158 86 A 4.0526 7.8137 119.6113 54.0140 18.3473 178.4949 87 Q 4.4019 7.2141 113.4672 55.2112 29.6222 175.7067 88 I 4.0094 7.1164 123.9357 60.2660 37.8112 173.7979 89 P 4.4982 0.0000 0.0000 64.2899 31.7976 176.6407 90 G 3.6438 9.1691 110.9381 44.9724 0.0000 172.9069 91 V 4.3445 7.4784 120.0342 61.7835 31.6948 175.1990 92 W 4.8153 8.4636 124.3511 56.4529 30.0670 176.3732 93 G 3.6680 7.0265 107.7223 44.2794 0.0000 171.7339 94 V 4.8169 7.6223 123.2666 61.2306 34.4727 173.9473 95 Y 4.9977 9.2983 125.2799 56.2123 41.9036 174.2958 96 F 5.0015 9.2328 125.9824 57.2195 40.4308 175.0648 97 V 4.3870 7.4378 118.8045 59.6052 34.6629 174.6255 98 L 3.6602 7.4490 122.3495 52.2404 45.1232 179.6630 99 G 3.8641 7.8737 109.6048 46.6864 0.0000 174.1488 100 D 4.8768 8.8294 121.5139 55.7645 40.4805 179.1808 101 N 4.1581 8.6730 115.8591 54.8494 35.3081 172.6170 102 D 4.5952 7.3921 116.4134 52.9976 42.5135 174.5563 103 F 5.2663 8.9340 116.4907 56.9812 41.2953 175.1676 104 I 5.0223 9.1079 123.5318 59.5977 39.8779 174.6400 105 V 4.7662 9.2909 127.2750 61.3290 34.4047 173.8560 106 M 4.6145 8.6820 127.8237 53.6524 33.6621 175.0693 107 A 5.1341 8.4299 123.9483 50.4289 23.3129 174.8846 108 R 5.1273 8.4650 118.3737 54.8377 33.9740 174.3660 109 Y 4.8221 8.7311 118.8889 56.7448 42.7624 176.4196 110 K 4.8685 9.3040 119.3565 58.7225 32.5986 177.7344 111 T 4.7411 7.4915 107.3498 59.0192 73.1922 174.5300 112 R 2.5233 7.9486 119.2374 59.1414 29.9470 177.7403 113 E 3.8512 8.0103 117.8795 59.5055 29.4479 178.7293 114 E 3.8366 7.7757 119.0201 59.3480 29.6209 178.4968 115 F 3.2326 7.9023 120.3938 61.3694 39.3652 176.9742 116 M 3.6641 8.1773 118.4367 58.2442 31.5499 178.4844 117 E 3.7751 8.0536 118.3240 59.2341 29.9552 178.5550 118 K 4.1019 8.2810 117.4754 58.7091 32.4526 177.4633 119 F 4.2970 7.8188 119.1976 59.8207 40.3821 177.0755 120 L 3.6274 7.1325 116.7071 58.7141 41.3106 179.2565 121 E 3.8281 8.7055 120.4032 59.5647 29.7466 179.5754 122 R 3.9050 7.5454 118.2133 59.3042 30.4302 178.5390 123 V 3.3494 7.5758 118.2710 65.9874 31.1819 177.8093 124 M 4.0449 7.8883 118.1191 57.6324 31.8304 177.7929 125 S 4.5481 7.3638 111.9913 57.4158 64.1437 174.4498 126 I 3.7935 7.0407 125.4791 60.6813 37.4296 174.7392 127 P 4.1866 0.0000 0.0000 65.9003 31.3803 177.6870 128 E 3.7719 8.0008 115.0867 57.4654 29.4641 176.2024 129 V 4.1405 7.1438 120.8205 62.4337 31.7222 175.1995 130 E 4.2064 9.3939 130.6046 58.2582 29.8299 176.1059 131 R 4.7861 7.5498 117.4765 55.6426 33.5320 172.7378 132 T 5.3253 8.4475 112.5854 60.1790 72.7160 173.0316 133 S 4.6801 9.1582 116.3594 56.9672 65.8104 172.3611 134 A 5.1432 8.8444 128.7694 50.5809 21.1879 176.2069 135 Q 4.4328 8.9692 120.6377 53.7734 31.4226 175.1138 136 V 3.8436 8.2059 124.9939 62.5627 32.3684 175.4385 137 V 3.9403 8.3347 129.0554 62.5580 31.3655 176.0796 138 V 4.1045 8.3847 120.6621 61.4841 32.7158 176.0950 139 K 4.2893 7.5733 119.4295 55.3776 34.8218 174.4191 140 I 4.2849 8.2814 127.6702 60.0658 37.4282 175.5256 141 I 4.0233 8.3448 127.4239 63.5095 37.5702 176.7052 142 K 4.4960 7.6321 118.0618 55.5233 34.7181 175.2534 143 E 4.5724 8.3225 126.1634 55.7230 30.8822 174.6273 144 S 4.6453 8.0103 124.4294 55.9713 63.6168 173.7759 145 P 4.3180 0.0000 0.0000 65.1231 31.6835 178.1976 146 N 4.1986 7.8314 115.6911 55.0617 37.3620 175.1011 147 I 3.7823 7.3591 119.9839 60.4257 35.7971 175.4386 148 V 4.0227 8.0283 118.5089 61.2637 32.6461 176.3997 149 I 4.3480 7.7522 120.6957 59.5528 37.9771 175.6435 150 F 4.3454 8.9063 123.3956 57.5603 38.9633 175.9977 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 4.67 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 2 D 8.93 4.91 0.00 2.86 2.78 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 3 E 9.48 4.01 0.00 2.01 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 0.00 2.41 2.36 0.00 4 I 7.85 3.75 2.09 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 1.65 1.29 0.93 0.00 0.00 5 D 8.51 4.36 0.00 2.86 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 6 L 7.73 4.04 0.00 1.83 1.73 1.02 1.31 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 7 R 7.96 4.03 0.00 2.01 1.98 0.00 3.29 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.87 0.00 8 I 7.64 3.75 2.04 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 1.54 0.87 0.94 0.00 0.00 9 L 8.39 3.98 0.00 1.76 1.69 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.45 4.07 0.00 1.88 2.02 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.56 1.55 7.81 11 I 7.23 4.32 2.11 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 1.55 0.82 1.15 0.00 0.00 12 L 8.23 4.34 0.00 1.73 1.82 1.05 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.10 3.89 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.80 0.00 0.00 0.00 0.00 0.00 2.48 1.74 0.00 14 Y 7.10 4.46 0.00 3.24 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 15 N 8.08 4.53 0.00 2.43 2.04 0.00 0.00 7.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.56 4.47 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 17 K 7.95 4.43 0.00 1.66 1.68 0.00 1.61 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.38 7.81 18 Y 7.64 4.69 0.00 3.04 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 19 S 8.38 4.57 0.00 4.07 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 20 L 8.43 4.02 0.00 1.72 1.77 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 21 D 8.06 4.39 0.00 2.68 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 22 E 8.16 3.93 0.00 2.02 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 2.23 2.32 0.00 23 I 7.81 3.62 1.98 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.06 0.90 0.00 0.00 24 A 8.54 3.97 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.93 3.87 0.00 1.86 2.08 0.00 3.22 0.00 0.00 3.13 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 26 E 7.60 4.08 0.00 2.04 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 2.25 2.21 0.00 27 I 7.62 4.11 1.87 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 1.74 0.76 0.89 0.00 0.00 28 R 7.98 3.83 0.00 1.97 2.01 0.00 3.18 0.00 0.00 3.25 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 29 I 7.02 4.67 1.89 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 1.42 0.51 0.98 0.00 0.00 30 P 0.00 4.34 0.00 2.19 2.02 0.00 3.61 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 31 K 8.71 3.95 0.00 1.82 1.82 0.00 1.72 0.00 0.00 2.11 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.51 7.81 32 S 8.02 4.23 0.00 4.10 4.12 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 33 T 7.71 3.94 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 1.29 0.00 0.00 34 L 8.07 3.92 0.00 1.77 1.85 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.50 4.09 0.00 3.99 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 0.00 36 Y 8.01 4.06 0.00 3.21 3.23 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 37 R 8.47 3.62 0.00 2.00 1.92 0.00 3.24 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.91 0.00 38 I 7.92 3.67 1.88 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 1.56 0.87 1.01 0.00 0.00 39 K 8.12 4.16 0.00 1.90 1.84 0.00 1.72 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.58 7.81 40 K 7.69 3.97 0.00 1.86 1.66 0.00 1.10 0.00 0.00 1.54 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.01 1.32 7.81 41 L 7.78 3.94 0.00 1.87 1.71 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.02 4.27 0.00 2.22 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 2.36 2.48 0.00 43 K 7.70 4.09 0.00 1.85 1.87 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.14 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.54 1.63 7.81 44 D 8.51 4.68 0.00 2.57 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 G 7.79 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.08 3.55 2.13 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 0.75 0.00 0.00 0.90 0.00 0.00 47 I 7.44 4.10 1.75 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 1.28 0.63 0.41 0.00 0.00 48 K 8.47 4.06 0.00 1.64 1.82 0.00 1.90 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.51 7.81 49 G 6.14 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Y 8.03 4.44 0.00 2.94 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 51 Y 8.37 5.08 0.00 2.93 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 52 A 8.48 4.46 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 53 Y 8.58 4.51 0.00 2.87 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 54 I 7.70 3.98 1.71 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.63 0.78 0.00 0.00 55 N 8.15 4.09 0.00 2.60 2.57 0.00 0.00 7.22 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 56 P 0.00 4.20 0.00 2.15 2.02 0.00 3.57 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.02 0.00 57 A 7.90 4.01 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 58 S 7.73 4.40 0.00 3.90 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 59 L 7.39 4.56 0.00 1.68 1.64 0.86 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 60 N 8.47 4.33 0.00 2.92 2.93 0.00 0.00 7.03 6.76 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 61 L 7.75 4.35 0.00 1.66 1.63 0.87 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.42 4.46 0.00 2.89 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 63 Y 8.62 4.17 0.00 3.20 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 64 I 7.73 4.96 1.81 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 1.52 0.82 1.02 0.00 0.00 65 V 8.57 4.64 1.68 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 0.12 0.00 0.00 0.78 0.00 0.00 66 I 8.58 4.67 1.85 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 1.21 0.70 0.91 0.00 0.00 67 T 8.91 5.14 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 1.47 0.00 0.00 68 S 9.26 5.23 0.00 3.79 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 69 V 9.24 4.82 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 1.07 0.00 0.00 1.08 0.00 0.00 70 K 9.60 4.99 0.00 1.87 1.80 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.67 1.44 7.81 71 A 8.61 5.12 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 72 K 8.75 4.25 0.00 1.46 1.60 0.00 1.49 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.64 1.35 7.81 73 Y 9.13 4.32 0.00 2.83 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.89 4.39 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 0.00 75 K 8.76 3.65 0.00 1.81 1.74 0.00 0.61 0.00 0.00 1.09 0.00 0.00 2.40 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.11 1.13 7.81 76 N 8.56 4.06 0.00 2.85 2.83 0.00 0.00 6.85 7.48 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 77 Y 7.30 4.58 0.00 3.24 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 78 H 8.74 4.38 0.00 3.13 2.55 0.00 5.82 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 79 V 5.77 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 0.79 0.00 0.00 0.95 0.00 0.00 80 E 8.25 4.05 0.00 2.37 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 2.39 2.42 0.00 81 L 7.88 3.96 0.00 1.82 1.68 0.80 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 82 G 7.18 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 0.00 0.00 0.00 83 N 7.87 4.36 0.00 2.67 2.82 0.00 0.00 7.11 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 84 K 7.55 4.19 0.00 1.70 1.78 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.65 7.81 85 L 7.83 4.05 0.00 1.69 1.64 0.63 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 86 A 7.81 4.05 1.24 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 0.00 0.00 87 Q 7.21 4.40 0.00 2.32 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.78 0.00 0.00 0.00 0.00 0.00 2.47 2.35 0.00 88 I 7.12 4.01 2.08 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.05 1.08 0.00 0.00 89 P 0.00 4.50 0.00 2.18 2.07 0.00 3.73 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 2.08 2.13 0.00 90 G 9.17 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 V 7.48 4.34 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 1.24 0.00 0.00 92 W 8.46 4.82 0.00 3.40 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 93 G 7.03 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 V 7.62 4.82 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 0.78 0.00 0.00 0.84 0.00 0.00 95 Y 9.30 5.00 0.00 2.94 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 96 F 9.23 5.00 0.00 3.07 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 97 V 7.44 4.39 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 0.83 0.00 0.00 0.95 0.00 0.00 98 L 7.45 3.66 0.00 1.62 1.43 0.72 1.04 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 99 G 7.87 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 0.00 0.00 0.00 100 D 8.83 4.88 0.00 2.83 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 0.00 101 N 8.67 4.16 0.00 2.82 2.97 0.00 0.00 6.74 7.96 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 0.00 102 D 7.39 4.60 0.00 3.04 2.73 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 0.00 103 F 8.93 5.27 0.00 3.12 3.06 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 0.00 104 I 9.11 5.02 2.11 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 1.20 1.14 0.98 0.00 0.00 105 V 9.29 4.77 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 1.15 0.00 0.00 1.05 0.00 0.00 106 M 8.68 4.61 0.00 0.81 0.57 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.27 0.00 107 A 8.43 5.13 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 0.00 108 R 8.46 5.13 0.00 1.56 1.78 0.00 3.10 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.83 0.00 109 Y 8.73 4.82 0.00 3.12 2.96 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 0.00 110 K 9.30 4.87 0.00 1.99 1.93 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.77 1.42 7.81 111 T 7.49 4.74 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 1.24 0.00 0.00 112 R 7.95 2.52 0.00 1.38 1.73 0.00 3.22 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.51 0.00 113 E 8.01 3.85 0.00 2.04 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 2.37 2.40 0.00 114 E 7.78 3.84 0.00 2.01 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 0.00 2.51 2.41 0.00 115 F 7.90 3.23 0.00 3.16 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 0.00 116 M 8.18 3.66 0.00 1.97 2.22 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.51 0.00 117 E 8.05 3.78 0.00 1.85 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 2.25 2.29 0.00 118 K 8.28 4.10 0.00 1.51 1.93 0.00 2.00 0.00 0.00 1.85 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.50 7.81 119 F 7.82 4.30 0.00 3.00 2.48 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 0.00 120 L 7.13 3.63 0.00 1.41 1.46 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 121 E 8.71 3.83 0.00 1.85 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 2.27 2.23 0.00 122 R 7.55 3.90 0.00 1.72 1.83 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 123 V 7.58 3.35 1.65 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 0.82 0.00 0.00 -0.03 0.00 0.00 124 M 7.89 4.04 0.00 1.96 2.18 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 2.64 2.51 0.00 125 S 7.36 4.55 0.00 3.91 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 0.00 126 I 7.04 3.79 1.88 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.75 0.87 0.00 0.00 127 P 0.00 4.19 0.00 1.97 2.06 0.00 3.62 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 128 E 8.00 3.77 0.00 2.02 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 2.59 2.29 0.00 129 V 7.14 4.14 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 0.71 0.00 0.00 0.87 0.00 0.00 130 E 9.39 4.21 0.00 1.99 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 2.33 2.32 0.00 131 R 7.55 4.79 0.00 1.91 1.72 0.00 3.19 0.00 0.00 3.41 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 132 T 8.45 5.33 4.44 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 1.27 0.00 0.00 133 S 9.16 4.68 0.00 3.92 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 0.00 134 A 8.84 5.14 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 0.00 135 Q 8.97 4.43 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.95 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 136 V 8.21 3.84 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 0.35 0.00 0.00 0.72 0.00 0.00 137 V 8.33 3.94 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 0.81 0.00 0.00 0.91 0.00 0.00 138 V 8.38 4.10 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 0.68 0.00 0.00 0.90 0.00 0.00 139 K 7.57 4.29 0.00 1.66 1.63 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.44 7.81 140 I 8.28 4.28 1.89 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 1.44 0.72 0.94 0.00 0.00 141 I 8.34 4.02 1.88 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 1.31 0.75 0.92 0.00 0.00 142 K 7.63 4.50 0.00 1.69 1.65 0.00 1.84 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.44 7.81 143 E 8.32 4.57 0.00 1.94 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 2.12 2.35 0.00 144 S 8.01 4.65 0.00 3.78 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 P 0.00 4.32 0.00 2.18 2.22 0.00 3.61 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 1.88 1.79 0.00 146 N 7.83 4.20 0.00 2.63 2.81 0.00 0.00 6.07 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 I 7.36 3.78 1.46 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.46 0.03 0.00 0.00 148 V 8.03 4.02 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 0.69 0.00 0.00 0.89 0.00 0.00 149 I 7.75 4.35 1.82 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.52 0.93 0.00 0.00 150 F 8.91 4.35 0.00 3.01 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