NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5325 8.1627 120.3618 55.9362 34.5672 177.2495 2 M 3.9838 8.0225 117.4985 57.8880 32.3585 176.3784 3 D 4.3822 8.3486 118.0495 57.3466 41.9288 177.0379 4 Y 4.1397 7.9456 119.6059 60.7056 38.9682 177.7133 5 L 3.7069 8.3770 120.2840 57.7824 41.1982 179.2743 6 I 3.6962 7.8011 119.8889 64.8830 36.9721 178.3689 7 T 4.1660 7.9275 108.3070 63.3138 68.8484 174.9743 8 Q 4.3456 7.3734 119.5339 54.7280 29.6181 175.4150 9 N 4.0984 7.4676 113.2495 54.4467 36.7621 174.3127 10 G 3.9839 8.4387 101.5996 45.7685 0.0000 175.8891 11 G 3.8673 8.2451 109.7851 47.4515 0.0000 175.3620 12 M 3.9112 8.2298 120.0616 59.1255 31.9406 178.5533 13 V 3.5088 7.5877 111.7805 64.5584 31.5889 178.6333 14 F 4.3015 7.9996 117.1640 60.2792 38.7432 177.7318 15 A 4.0635 8.0197 120.3251 54.9092 18.2148 179.6644 16 V 3.5104 8.1246 117.2024 66.1701 31.5898 177.9910 17 L 3.9843 8.2500 120.0369 58.0389 41.8132 178.7811 18 A 4.3047 8.2067 122.3055 54.9640 18.3675 179.5199 19 M 4.0062 8.2085 116.9188 58.3840 32.0462 178.7393 20 A 4.0045 8.2085 121.2037 55.3495 18.4353 179.7323 21 T 3.9691 8.3630 108.2610 65.1127 68.5354 176.2065 22 A 4.0915 8.1964 124.4384 55.0350 18.3835 179.8379 23 T 3.8303 7.9759 113.8498 66.8657 68.6175 177.0786 24 I 3.5247 8.1491 121.8493 64.5678 37.1605 178.6829 25 F 4.1112 7.7889 118.2273 60.3344 38.6950 178.0741 26 S 4.3032 7.8514 113.9381 61.3722 62.8191 176.7863 27 G 3.5874 8.2223 109.3980 47.5180 0.0000 175.6759 28 I 3.7573 8.2114 122.8937 63.9401 37.0350 178.5449 29 G 3.7110 8.0551 106.4889 48.1585 0.0000 175.8972 30 S 4.4918 8.4348 118.9196 60.5269 62.8122 176.5031 31 A 3.9508 8.3961 123.8745 55.1760 18.1062 179.9391 32 K 3.9985 8.4380 117.3489 59.4561 32.1929 179.9576 33 G 3.5367 8.2734 106.1699 47.9022 0.0000 175.9149 34 V 3.7075 8.4241 121.8891 65.3003 31.4950 178.2242 35 G 3.5857 8.2387 105.5584 48.0527 0.0000 175.1963 36 M 4.0355 8.4049 121.7038 58.6445 32.2881 178.4788 37 T 4.0068 8.0965 115.9298 66.3499 68.5900 176.7307 38 G 3.7673 8.4858 108.2093 48.0637 0.0000 175.3639 39 E 3.9710 8.3191 120.8908 59.0746 29.5099 179.4216 40 A 3.9988 7.9020 119.9726 55.0581 18.3948 179.5594 41 A 3.9354 8.5940 119.4657 55.1718 18.3401 179.5949 42 A 3.9480 8.5447 119.4901 55.2768 18.2349 179.6039 43 A 3.9252 7.8171 117.8590 55.3519 18.7256 179.1745 44 L 4.0557 8.0417 118.7367 58.8226 41.8597 179.4072 45 T 3.9991 8.1941 115.7778 66.5494 68.1027 176.5791 46 T 4.0191 7.7089 111.0718 63.7176 68.7626 175.1381 47 S 4.6504 7.5731 114.6647 58.4510 65.4046 174.3201 48 Q 4.6840 8.3187 120.0535 53.0957 28.6728 173.9605 49 P 4.4290 0.0000 0.0000 64.8373 32.0965 179.1096 50 E 4.1484 8.1687 115.9366 58.1508 29.9378 177.2660 51 K 4.6259 7.8872 119.2094 56.5445 32.5307 177.9955 52 F 4.3226 8.3155 123.9039 61.4988 39.3226 177.3034 53 G 3.5000 8.1791 104.6164 48.0510 0.0000 175.4076 54 Q 3.9511 7.9732 120.0430 58.4699 28.8012 178.4994 55 A 3.9706 7.9790 121.8278 54.9695 18.3785 179.4296 56 L 3.6850 7.8418 119.1813 58.1696 41.5811 179.2760 57 I 3.6031 7.4466 119.2687 64.3837 36.8323 178.3171 58 L 3.9805 7.4332 118.0001 57.9698 41.5308 179.1962 59 Q 4.0663 7.8607 118.3164 59.0231 29.1883 177.9838 60 L 4.0811 7.8119 120.1754 57.1302 41.2786 178.9737 61 L 3.9064 7.5139 118.5925 57.6574 41.7167 177.5634 62 P 4.9646 0.0000 0.0000 63.3579 30.7214 178.1779 63 G 3.7129 8.3562 106.5090 46.6666 0.0000 175.9830 64 T 3.7183 7.4756 112.2279 64.3532 68.7467 176.5335 65 Q 4.1721 8.0726 120.7587 59.1820 28.7900 179.4166 66 G 3.6552 8.2882 106.4556 47.5631 0.0000 175.8226 67 L 4.0146 7.1821 118.1315 57.7501 41.5173 178.9313 68 Y 4.3616 7.6338 116.8508 61.1452 37.7652 178.9759 69 G 4.3692 8.2886 107.8619 47.3449 0.0000 175.2698 70 F 4.1637 8.5035 123.4214 61.0372 39.3689 177.3022 71 V 3.7424 8.4030 117.8863 66.2019 31.3424 177.9259 72 I 3.8082 8.4831 119.5175 64.4259 36.9142 178.1102 73 A 3.9811 8.3247 121.7652 55.3733 18.2304 179.5546 74 F 3.9212 8.3131 119.2126 61.0752 39.1533 177.1897 75 L 3.9666 8.0607 119.6287 57.9712 42.1544 178.6472 76 I 3.5943 7.8993 119.9318 64.1676 36.8936 177.8470 77 F 3.9499 8.0760 121.8579 61.3587 38.9741 176.8811 78 I 3.6435 7.2687 109.1543 62.1200 37.5484 176.4641 79 N 4.7840 7.3169 117.4987 54.7577 39.3604 176.7032 80 L 4.0777 7.1920 123.4181 54.7417 42.0084 174.8926 81 G 3.8013 8.2691 107.5589 44.7333 0.0000 173.6911 82 S 4.3400 8.2949 117.4544 58.9318 63.6903 174.0957 83 D 4.5759 7.8309 119.7661 54.5288 41.1522 175.4641 84 M 4.1784 7.7466 118.5891 55.9025 32.8698 176.5612 85 S 4.5247 8.4479 120.9787 57.6597 65.7862 175.4049 86 V 3.6882 8.2379 121.6957 66.0601 31.2073 178.0981 87 V 3.4840 7.7912 117.5532 66.1905 31.3346 177.6398 88 Q 3.8942 7.9258 118.9884 58.9855 28.9107 178.2177 89 G 3.9936 8.4624 107.0277 48.1738 0.0000 175.5809 90 L 3.9433 8.2889 122.1691 57.3353 41.4584 179.3293 91 N 4.2226 8.2455 116.6351 56.3710 38.4440 177.3810 92 F 4.2691 8.1193 119.0473 60.4719 38.7814 177.4443 93 L 4.1922 7.9838 119.0888 58.1104 42.2247 178.9842 94 G 3.7433 8.5049 105.7589 47.8810 0.0000 175.3913 95 A 4.0962 8.4198 124.2077 54.9202 18.3414 179.6869 96 S 4.2783 8.3101 112.2167 60.8410 63.2492 176.7855 97 L 4.1776 7.9668 123.3622 57.3480 41.4051 177.1656 98 P 4.3679 0.0000 0.0000 65.9664 31.3138 178.4690 99 I 3.8458 8.1552 116.9536 63.8300 37.8961 177.5146 100 A 3.9746 8.0501 121.7450 55.3715 18.2074 179.3826 101 F 4.5016 8.3087 115.5881 60.0563 39.6494 178.5934 102 T 4.2488 8.4616 109.8185 64.6667 68.4910 176.8106 103 G 3.7176 8.4944 108.6316 47.5679 0.0000 175.1024 104 L 4.0111 8.0440 123.4340 58.0925 42.0078 179.2307 105 F 4.2199 8.4968 117.7080 60.4204 38.8806 178.1038 106 S 4.3805 8.8901 114.6614 61.1677 62.8442 176.6239 107 G 3.7459 8.3023 109.3848 47.7943 0.0000 175.5685 108 I 3.7034 7.6358 122.0723 63.8598 37.3059 178.3885 109 A 4.0486 8.3248 121.7396 55.3469 18.2512 179.4793 110 Q 4.0883 8.9106 118.6981 59.1423 29.1263 178.4272 111 G 3.7493 8.2846 106.8832 47.9416 0.0000 175.6704 112 K 4.0046 7.9412 120.4881 59.1190 31.9841 179.6946 113 V 3.5742 7.7847 117.8117 65.8480 31.2811 177.7898 114 A 3.9878 8.3298 119.4039 55.2591 18.4511 178.9476 115 A 4.0792 8.5235 119.3221 55.4898 18.4093 179.7499 116 A 4.0797 8.2267 119.2605 55.2122 18.4502 180.0169 117 G 3.7349 8.4440 104.5405 48.0582 0.0000 175.8286 118 I 3.7883 7.5610 121.6163 64.4650 37.0331 178.3758 119 Q 4.0348 8.1121 118.8923 58.4806 28.4331 178.6185 120 I 3.7003 7.6306 120.7067 64.2665 37.0546 177.6937 121 L 3.8898 7.7778 119.5401 58.2925 41.9032 178.5902 122 A 4.1409 8.0569 119.5263 54.8474 18.4179 178.9337 123 K 4.3722 7.8733 114.8746 56.9900 34.6529 177.5257 124 K 4.7030 8.7435 118.5170 53.5461 32.6309 175.0020 125 P 4.4657 0.0000 0.0000 65.5229 31.6778 178.9426 126 E 4.1356 8.1592 114.8505 58.0707 30.0448 176.7823 127 H 4.8065 8.5133 117.2041 55.6033 29.5991 175.9355 128 A 4.0368 7.8467 125.1671 55.7456 17.8790 180.5571 129 T 3.8024 7.9526 113.6693 66.7881 68.3740 176.4991 130 K 3.7107 8.0292 120.3483 59.3478 32.1102 179.4362 131 G 3.7854 8.0612 105.3393 47.9562 0.0000 175.5854 132 I 3.7308 7.5342 121.6855 64.1205 37.1149 178.6180 133 I 3.6312 7.8741 120.8654 64.3276 36.6984 178.2384 134 F 4.4563 7.7112 117.2798 60.9111 39.1923 177.3877 135 A 4.2071 8.1868 119.7655 55.1688 18.2119 179.4908 136 A 4.0091 8.4931 119.7065 55.5938 17.9221 179.6541 137 M 4.0733 8.2047 117.2714 58.6221 32.0611 179.0422 138 V 3.6897 7.9810 118.1668 65.4983 31.6900 177.3923 139 E 4.0001 8.2974 119.5094 59.7114 29.3111 178.8392 140 T 3.6360 7.1881 115.3311 67.1276 68.4345 175.7139 141 Y 4.3411 7.3939 117.2480 60.4760 37.8847 178.0576 142 A 4.1628 8.0802 121.6673 55.1371 18.5860 179.5356 143 I 3.3301 7.7852 118.2836 64.4229 37.1910 178.5537 144 L 4.0954 8.3644 120.3395 57.8305 41.4727 179.8370 145 G 4.1045 8.1621 106.8896 47.2611 0.0000 175.4725 146 F 4.2267 8.5795 123.6101 60.9666 39.3667 177.3709 147 V 3.4142 8.2067 118.2467 65.9853 31.3172 178.0337 148 I 3.6996 7.7596 119.4489 64.5233 36.8998 178.4233 149 S 4.4059 8.0732 117.2610 60.9109 62.6721 176.4388 150 F 3.7696 8.3055 123.4289 61.3523 38.9383 177.0157 151 L 4.0053 8.1387 118.3676 58.0419 41.2475 179.7276 152 L 3.9495 7.8421 117.5912 57.5275 41.6484 179.4690 153 V 3.7711 7.9669 118.5484 66.0691 31.3265 178.2026 154 L 3.9540 7.5243 117.1117 56.6394 41.4518 177.8575 155 N 4.6847 7.2486 114.3758 53.0600 39.3914 174.7507 156 A 3.9344 7.1812 126.2938 53.0817 18.4239 177.1120 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 8.16 4.53 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.66 0.00 2 M 8.02 3.98 0.00 2.31 2.12 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.78 0.00 3 D 8.35 4.38 0.00 2.80 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 4 Y 7.95 4.14 0.00 3.09 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 L 8.38 3.71 0.00 1.80 1.76 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 6 I 7.80 3.70 2.09 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 1.60 1.16 0.92 0.00 0.00 7 T 7.93 4.17 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 1.31 0.00 0.00 8 Q 7.37 4.35 0.00 1.55 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.62 0.00 0.00 0.00 0.00 0.00 2.14 1.99 0.00 9 N 7.47 4.10 0.00 2.77 2.92 0.00 0.00 6.79 7.53 0.00 0.00 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 G 8.44 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 11 G 8.25 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 12 M 8.23 3.91 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.64 0.00 13 V 7.59 3.51 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 0.68 0.00 0.00 0.16 0.00 0.00 14 F 8.00 4.30 0.00 3.33 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 15 A 8.02 4.06 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 16 V 8.12 3.51 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.94 0.00 0.00 17 L 8.25 3.98 0.00 1.96 1.98 1.00 1.66 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 18 A 8.21 4.30 1.58 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 19 M 8.21 4.01 0.00 2.08 2.28 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.74 0.00 20 A 8.21 4.00 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 21 T 8.36 3.97 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 1.52 0.00 0.00 22 A 8.20 4.09 1.55 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 0.00 0.00 0.00 0.00 0.00 0.00 23 T 7.98 3.83 4.38 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 1.30 0.00 0.00 24 I 8.15 3.52 1.52 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 1.36 0.50 0.19 0.00 0.00 25 F 7.79 4.11 0.00 2.82 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 26 S 7.85 4.30 0.00 4.28 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 27 G 8.22 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.21 3.76 1.94 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.70 0.87 0.00 0.00 29 G 8.06 3.71 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 0.00 0.00 0.00 30 S 8.43 4.49 0.00 3.86 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 31 A 8.40 3.95 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 32 K 8.44 4.00 0.00 1.86 1.85 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.50 7.81 33 G 8.27 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 8.42 3.71 2.16 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 0.99 0.00 0.00 0.93 0.00 0.00 35 G 8.24 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.40 4.04 0.00 2.17 2.08 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 2.60 2.60 0.00 37 T 8.10 4.01 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 1.24 0.00 0.00 38 G 8.49 3.77 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 0.00 0.00 0.00 39 E 8.32 3.97 0.00 2.21 2.02 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 2.34 2.57 0.00 40 A 7.90 4.00 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 41 A 8.59 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 42 A 8.54 3.95 1.41 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 43 A 7.82 3.93 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 44 L 8.04 4.06 0.00 1.80 1.89 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.19 4.00 4.43 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 1.22 0.00 0.00 46 T 7.71 4.02 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 1.32 0.00 0.00 47 S 7.57 4.65 0.00 4.02 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 48 Q 8.32 4.68 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.84 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 49 P 0.00 4.43 0.00 2.19 2.29 0.00 3.70 0.00 0.00 3.88 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 50 E 8.17 4.15 0.00 2.12 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 2.30 2.29 0.00 51 K 7.89 4.63 0.00 1.97 1.86 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.38 7.81 52 F 8.32 4.32 0.00 3.17 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 53 G 8.18 3.50 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 0.00 0.00 0.00 54 Q 7.97 3.95 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 55 A 7.98 3.97 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 56 L 7.84 3.68 0.00 1.19 1.50 0.79 0.77 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 57 I 7.45 3.60 1.95 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 1.45 0.86 0.86 0.00 0.00 58 L 7.43 3.98 0.00 1.79 1.73 0.92 0.88 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 Q 7.86 4.07 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.01 0.00 0.00 0.00 0.00 0.00 2.34 2.53 0.00 60 L 7.81 4.08 0.00 1.85 1.63 0.85 0.51 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 61 L 7.51 3.91 0.00 1.94 1.74 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.96 0.00 2.18 2.26 0.00 4.00 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 2.23 2.05 0.00 63 G 8.36 3.71 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 0.00 0.00 0.00 64 T 7.48 3.72 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 65 Q 8.07 4.17 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.78 2.68 0.00 66 G 8.29 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.18 4.01 0.00 1.56 1.58 0.75 0.61 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 68 Y 7.63 4.36 0.00 3.27 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 69 G 8.29 4.37 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 0.00 70 F 8.50 4.16 0.00 3.25 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 V 8.40 3.74 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 1.22 0.00 0.00 72 I 8.48 3.81 2.19 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 2.03 0.84 0.99 0.00 0.00 73 A 8.32 3.98 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 74 F 8.31 3.92 0.00 2.73 3.11 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 75 L 8.06 3.97 0.00 1.92 1.84 0.92 0.32 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 76 I 7.90 3.59 1.91 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 1.48 0.59 0.29 0.00 0.00 77 F 8.08 3.95 0.00 2.98 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 I 7.27 3.64 1.69 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 1.59 0.57 0.42 0.00 0.00 79 N 7.32 4.78 0.00 2.84 2.96 0.00 0.00 6.98 7.39 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 80 L 7.19 4.08 0.00 1.34 1.30 0.56 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.27 3.80 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 0.00 0.00 0.00 82 S 8.29 4.34 0.00 3.96 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 83 D 7.83 4.58 0.00 2.64 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 M 7.75 4.18 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.64 0.00 85 S 8.45 4.52 0.00 4.09 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 86 V 8.24 3.69 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 1.00 0.00 0.00 1.11 0.00 0.00 87 V 7.79 3.48 2.05 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 0.99 0.00 0.00 0.89 0.00 0.00 88 Q 7.93 3.89 0.00 2.09 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 89 G 8.46 3.99 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 0.00 0.00 0.00 90 L 8.29 3.94 0.00 1.68 1.57 0.66 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 91 N 8.25 4.22 0.00 2.65 2.60 0.00 0.00 7.00 8.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 F 8.12 4.27 0.00 3.43 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 93 L 7.98 4.19 0.00 1.81 1.95 1.11 1.23 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 94 G 8.50 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 95 A 8.42 4.10 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 96 S 8.31 4.28 0.00 4.26 4.35 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 97 L 7.97 4.18 0.00 1.93 1.96 0.97 1.07 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 98 P 0.00 4.37 0.00 2.34 2.19 0.00 3.83 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 99 I 8.16 3.85 2.06 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.46 1.07 0.00 0.00 100 A 8.05 3.97 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 0.00 101 F 8.31 4.50 0.00 3.29 3.31 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 0.00 102 T 8.46 4.25 4.57 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 0.00 0.00 0.00 1.40 0.00 0.00 103 G 8.49 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 0.00 0.00 0.00 104 L 8.04 4.01 0.00 2.01 1.85 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 105 F 8.50 4.22 0.00 3.32 3.18 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 0.00 106 S 8.89 4.38 0.00 4.22 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.30 3.75 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 0.00 0.00 0.00 108 I 7.64 3.70 2.01 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.90 0.94 0.00 0.00 109 A 8.32 4.05 1.46 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 0.00 110 Q 8.91 4.09 0.00 2.30 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.39 2.60 0.00 111 G 8.28 3.75 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 0.00 0.00 0.00 112 K 7.94 4.00 0.00 2.08 1.89 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.58 7.81 113 V 7.78 3.57 2.24 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 1.19 0.00 0.00 1.01 0.00 0.00 114 A 8.33 3.99 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 0.00 115 A 8.52 4.08 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 0.00 116 A 8.23 4.08 1.41 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 0.00 117 G 8.44 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 0.00 118 I 7.56 3.79 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 1.71 0.94 0.97 0.00 0.00 119 Q 8.11 4.03 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.54 2.55 0.00 120 I 7.63 3.70 2.09 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.00 1.01 0.00 0.00 121 L 7.78 3.89 0.00 1.77 1.91 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 122 A 8.06 4.14 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 0.00 123 K 7.87 4.37 0.00 1.78 1.88 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.62 7.81 124 K 8.74 4.70 0.00 1.72 1.80 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.51 7.81 125 P 0.00 4.47 0.00 2.22 2.43 0.00 3.71 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.98 0.00 126 E 8.16 4.14 0.00 2.02 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 2.02 2.19 0.00 127 H 8.51 4.81 0.00 3.29 3.30 0.00 5.63 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 0.00 128 A 7.85 4.04 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 0.00 129 T 7.95 3.80 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 1.16 0.00 0.00 130 K 8.03 3.71 0.00 1.95 1.58 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.42 7.81 131 G 8.06 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 0.00 132 I 7.53 3.73 1.99 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 1.50 0.53 0.88 0.00 0.00 133 I 7.87 3.63 1.70 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 1.44 0.56 0.80 0.00 0.00 134 F 7.71 4.46 0.00 3.20 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 0.00 135 A 8.19 4.21 1.46 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 0.00 136 A 8.49 4.01 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 0.00 137 M 8.20 4.07 0.00 2.18 2.41 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 3.02 0.00 138 V 7.98 3.69 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 1.04 0.00 0.00 139 E 8.30 4.00 0.00 2.18 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 0.00 2.36 2.48 0.00 140 T 7.19 3.64 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 0.78 0.00 0.00 141 Y 7.39 4.34 0.00 3.28 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 A 8.08 4.16 1.61 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 0.00 143 I 7.79 3.33 1.89 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 1.27 0.53 0.83 0.00 0.00 144 L 8.36 4.10 0.00 1.70 1.77 0.97 0.85 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 0.00 145 G 8.16 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 F 8.58 4.23 0.00 2.86 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 0.00 147 V 8.21 3.41 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 0.96 0.00 0.00 0.98 0.00 0.00 148 I 7.76 3.70 1.91 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 1.73 0.75 0.93 0.00 0.00 149 S 8.07 4.41 0.00 4.10 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 0.00 150 F 8.31 3.77 0.00 2.58 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 0.00 151 L 8.14 4.01 0.00 1.89 1.72 0.94 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 152 L 7.84 3.95 0.00 1.80 1.69 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 153 V 7.97 3.77 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 1.10 0.00 0.00 1.06 0.00 0.00 154 L 7.52 3.95 0.00 1.69 1.62 0.88 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 155 N 7.25 4.68 0.00 2.64 2.71 0.00 0.00 7.14 7.92 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 0.00 156 A 7.18 3.93 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00