NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2276 8.1633 120.2792 54.7263 33.3089 174.2645 2 K 4.0494 8.4974 126.1975 56.1167 32.5255 175.6855 3 G 3.9719 8.5496 113.5928 44.6848 0.0000 172.1155 4 D 4.5806 8.4477 119.5522 54.3070 41.9820 177.0554 5 T 3.8678 8.8861 122.8216 66.8724 68.5054 176.6404 6 K 3.8531 8.1701 120.9267 59.1646 32.2073 178.7921 7 V 3.8979 8.6609 118.9789 66.2025 31.3887 177.9449 8 I 3.7295 7.7665 119.3290 64.6768 36.8859 178.1655 9 N 4.2834 8.1829 117.1208 56.3355 38.2971 177.1291 10 Y 4.0731 8.1128 118.1906 61.1198 38.0613 178.3789 11 L 3.9152 8.6709 120.1899 58.1793 41.7135 179.5235 12 N 4.3637 8.5042 116.5132 56.0110 38.3991 177.4868 13 K 3.8670 8.2193 121.3926 59.3790 32.3504 178.8795 14 L 3.8042 8.1672 119.6519 57.6400 41.4035 179.0052 15 L 3.9526 7.9155 120.6148 58.2849 41.8254 179.2746 16 G 3.6058 8.1272 105.5218 47.8533 0.0000 175.3841 17 N 4.3429 8.0271 118.8200 56.1612 38.6124 177.3011 18 E 4.0848 8.2839 119.8857 59.6247 29.1541 179.5524 19 L 4.3128 8.2751 118.7996 57.4010 41.5204 180.0485 20 V 3.6497 7.7208 112.4016 64.1734 31.4471 178.1226 21 A 3.8543 8.1187 120.5724 55.2425 18.2048 179.5402 22 I 3.7568 8.2704 118.4956 64.8530 37.2124 178.4755 23 N 4.3964 7.8141 115.8074 56.4450 38.4559 177.4180 24 Q 3.8512 8.3915 121.3581 59.2556 29.0907 177.9421 25 Y 4.3277 8.2461 118.0344 60.9344 37.9769 177.7313 26 F 3.8012 8.4614 121.6384 61.1134 39.4421 176.8772 27 L 3.9109 8.2337 119.8598 58.4956 41.8813 178.3547 28 H 3.7711 8.1165 115.8173 58.8660 28.6057 177.0939 29 A 4.1424 8.3519 122.5994 55.8457 18.1393 180.0058 30 R 3.7790 7.7021 115.3526 58.6837 30.1022 179.3200 31 M 3.4006 7.8652 119.4750 58.1737 31.8851 178.4918 32 F 4.6192 7.6269 118.2074 60.5490 39.0407 177.7287 33 K 3.9434 8.3140 119.3223 59.4729 31.8271 178.0426 34 N 4.2282 7.8316 116.0216 56.7745 38.9207 176.2752 35 W 4.7608 7.8236 116.5636 57.4296 29.2734 177.2874 36 G 4.0200 8.3088 107.9113 45.8966 0.0000 175.2515 37 L 4.4831 8.0380 121.8155 53.2327 38.0265 177.1580 38 K 3.8711 7.9533 122.6606 59.7738 32.5958 177.5962 39 R 3.9296 8.3014 119.1571 59.2775 29.9816 178.4432 40 L 4.1430 7.7714 118.3369 57.2822 41.5693 178.7791 41 N 4.4355 8.1207 116.8587 56.7325 38.9652 176.5016 42 D 4.3210 8.0236 120.2959 57.4498 40.9933 179.1342 43 V 3.3251 7.6179 118.2648 66.0927 31.5047 177.9411 44 E 3.7505 8.3148 118.4118 59.2819 29.2693 178.6066 45 Y 3.9069 8.1695 119.7778 61.2169 38.8802 178.1760 46 H 4.2013 8.2366 116.4223 58.3311 28.6721 177.6028 47 E 3.6724 7.7736 120.9100 58.6502 29.1640 178.7492 48 S 4.0985 8.0104 113.7772 61.5990 62.3474 176.2718 49 I 3.5495 7.2643 122.1226 64.4571 36.8494 177.8543 50 D 4.2739 7.7996 119.5102 57.7741 40.6399 179.1504 51 E 4.1885 8.3079 118.6176 59.4563 29.3562 179.3783 52 M 4.0639 8.0598 119.0325 58.3114 32.0008 178.8250 53 K 3.9442 8.1417 118.7873 59.6639 32.1895 179.0918 54 H 4.0843 8.2444 116.1702 58.8003 28.6361 177.5008 55 A 4.2495 8.3372 122.7811 55.4090 18.1524 178.9711 56 D 4.3127 8.2485 116.3948 57.7260 41.2436 178.7912 57 R 3.8514 7.9066 118.3088 59.4504 30.0415 178.5437 58 Y 4.3239 7.7788 116.3959 61.3178 37.9031 178.9366 59 I 3.7915 8.2996 120.9609 64.6107 37.2338 178.4653 60 E 4.0675 8.5238 119.5556 59.0512 29.2021 179.5037 61 R 4.0051 8.0384 118.9558 59.5415 30.2040 178.2842 62 I 3.7445 8.4084 119.9486 64.7298 37.1736 178.3537 63 L 4.0149 8.1313 119.4529 57.7024 41.1997 179.4504 64 F 4.3655 8.1383 119.6589 61.2931 39.7295 176.6935 65 L 4.3046 8.4204 117.2421 54.0862 40.9370 177.2097 66 E 3.5597 7.9776 117.4848 57.4342 27.2235 174.4503 67 G 3.9852 8.1282 108.6457 43.9798 0.0000 173.4761 68 L 4.5291 8.0428 119.1812 52.0409 42.1026 175.1650 69 P 4.3754 0.0000 0.0000 62.5946 31.7601 175.9462 70 N 4.7096 9.5553 122.1837 52.4093 38.7051 173.8841 71 L 4.5936 8.2862 124.1989 54.5478 42.3673 177.6089 72 Q 4.1081 8.5828 122.2357 58.2874 29.2942 175.9576 73 D 4.7142 8.0261 116.6018 52.7864 42.0729 175.2980 74 L 4.5854 8.2530 125.0461 52.7305 44.1192 176.5852 75 G 3.8076 8.4660 115.3649 44.8485 0.0000 171.7830 76 K 4.1054 8.3093 120.6815 55.7361 32.4730 176.5864 77 L 4.0959 8.3800 126.8402 54.3851 42.2716 176.0831 78 N 4.8209 8.7085 121.6450 51.9665 39.8912 174.2465 79 I 3.8762 8.5045 126.5957 63.9771 37.7627 177.8649 80 G 4.3567 8.1542 103.2861 45.4629 0.0000 172.8803 81 E 4.7292 8.7703 117.6347 56.0411 31.1769 176.0900 82 D 4.9166 7.6692 118.1349 50.3200 43.9902 175.8928 83 V 4.0315 8.5635 119.4517 66.5973 31.3363 177.6204 84 E 3.8324 8.1788 117.9607 59.4616 29.4366 178.0434 85 E 4.0050 8.4819 119.4861 59.5632 29.5901 178.7032 86 M 4.1176 8.2923 116.9598 58.1437 31.5061 178.5144 87 L 4.1623 8.5111 120.5610 57.6941 41.8214 179.5184 88 R 3.8987 8.5120 119.0345 59.3158 30.0020 178.5925 89 S 4.1234 8.1251 113.2226 61.2778 62.3493 175.7079 90 D 4.2268 8.2057 121.6958 57.2877 40.5402 178.4756 91 L 3.9953 8.2319 120.5732 58.3478 42.0494 178.9639 92 A 3.9953 8.0810 120.5635 54.9435 18.2504 179.4166 93 L 3.8894 7.8188 118.9439 58.2643 42.0842 179.1132 94 E 4.0452 8.4557 118.6806 59.4841 29.5952 179.1727 95 L 4.0153 8.1676 119.1508 58.1427 41.7264 179.4732 96 D 4.5174 8.4956 118.9649 57.2286 40.6626 179.0943 97 G 3.6328 8.3256 106.2258 47.6224 0.0000 175.7278 98 A 4.0267 8.3648 123.4178 54.6468 18.4951 179.3716 99 K 3.8077 7.9635 117.8777 60.0456 32.3153 178.5534 100 N 4.3828 8.1334 116.3558 56.3961 38.4261 177.4273 101 L 3.9976 8.0914 120.3025 57.9174 41.6318 179.6558 102 R 3.9045 8.3403 118.3848 59.2472 30.1008 178.8035 103 E 3.8620 8.0770 118.2918 59.2611 29.7116 178.7566 104 A 2.8471 7.7488 120.7535 54.7231 18.3574 179.7176 105 I 3.7575 7.9091 118.6480 64.4315 36.9502 178.8843 106 G 3.6014 7.6002 105.4395 47.8732 0.0000 174.8783 107 Y 4.1115 7.7604 121.2112 60.2267 38.8886 177.2380 108 A 3.8015 8.3737 122.1963 55.4118 18.5213 179.0694 109 D 4.0910 7.9076 116.3710 57.3306 41.0850 178.3462 110 S 4.1912 7.4595 112.8855 59.9484 63.3436 175.6862 111 V 3.9819 6.8526 114.0531 60.7200 31.5942 175.4893 112 H 2.7801 6.9802 113.8626 56.7367 26.9114 176.4345 113 D 4.5198 7.3295 121.2463 53.4410 37.7925 176.1835 114 Y 4.2855 7.4115 121.1306 60.6255 38.3620 178.0854 115 V 3.7653 7.8714 113.1599 64.1174 31.8551 178.4017 116 S 4.1655 8.2914 114.8223 61.5763 62.6031 176.6340 117 R 3.8850 8.1600 121.2945 59.5037 29.8305 177.9988 118 D 4.2990 8.4199 117.9759 57.6671 41.3839 177.7061 119 M 3.9761 8.3141 118.9274 59.1204 32.0524 178.1508 120 M 4.1353 8.1920 118.7604 58.3732 32.1554 178.7904 121 I 3.7256 8.0988 120.3118 64.2580 37.3142 178.3220 122 E 3.9589 8.1710 119.4790 59.4612 29.3167 179.4150 123 I 3.5416 7.5464 119.4742 64.2414 37.0662 178.1299 124 L 3.9468 8.1947 121.4620 58.2360 41.9985 178.8801 125 R 3.8743 8.0975 118.5102 59.7091 29.9765 178.2434 126 D 4.3547 7.9770 118.3630 57.3505 40.7479 178.6317 127 E 3.9966 8.2385 119.2432 59.3104 29.3752 178.9944 128 E 4.1200 8.6008 119.8676 59.0053 29.6940 178.9843 129 G 3.7040 7.9910 105.4307 48.2562 0.0000 175.2489 130 H 4.4307 8.1934 118.9279 58.6794 28.6717 177.8515 131 I 3.8085 8.3435 121.9535 64.5164 36.9636 177.7848 132 D 4.3805 8.4652 118.9884 57.2060 41.0259 178.2861 133 W 4.1149 8.4322 128.6315 60.4385 30.7284 177.8151 134 L 3.7583 8.4719 119.1293 57.9528 41.1547 179.3934 135 E 3.9092 8.4594 118.5865 59.6744 29.2984 179.6459 136 T 3.7830 7.9212 115.6077 66.5650 68.5425 176.3914 137 E 3.7605 7.6133 120.3140 59.5105 29.2583 179.3896 138 L 3.7790 7.7961 118.8737 58.0263 41.5627 179.5216 139 D 4.3757 8.0887 118.6288 57.2357 40.6630 178.6852 140 L 3.9633 8.1531 119.8826 57.8324 41.5914 179.5447 141 I 3.4225 7.4335 119.6700 64.4494 36.7340 178.5446 142 Q 3.9339 7.3563 116.2152 58.8103 28.6546 178.5397 143 K 4.1296 8.1515 118.9568 59.0988 32.2707 178.5459 144 M 4.3687 8.3970 114.8452 54.1536 32.4059 177.4049 145 G 4.0897 7.5599 105.0091 45.8369 0.0000 174.4184 146 L 3.9604 8.3674 120.7682 58.0089 42.1637 179.2350 147 Q 3.9917 8.0332 117.4435 59.2877 28.7752 178.4653 148 N 4.3489 8.1850 116.8106 56.3961 38.3489 176.6525 149 Y 3.9434 7.8849 120.0072 60.6961 39.1451 177.8685 150 L 4.0986 8.3871 120.2321 57.9507 41.6426 179.2865 151 Q 3.9007 8.2119 119.1558 59.0589 28.7399 177.8652 152 A 4.1017 7.6808 119.9631 53.6445 18.5984 178.2460 153 Q 4.3359 7.8429 115.9216 55.5884 29.1952 177.5687 154 I 3.8885 7.3868 122.1045 63.3770 37.4307 176.6277 155 R 4.6552 7.5488 117.9477 53.7194 32.3444 175.6168 156 E 4.1269 8.7152 118.7866 56.6673 29.6043 176.6512 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 4.23 0.00 1.51 1.77 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 2.52 2.47 0.00 2 K 8.50 4.05 0.00 1.71 1.71 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.47 7.81 3 G 8.55 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 4 D 8.45 4.58 0.00 2.77 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 5 T 8.89 3.87 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 1.18 0.00 0.00 6 K 8.17 3.85 0.00 1.71 1.95 0.00 1.42 0.00 0.00 0.97 0.00 0.00 2.54 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.80 1.01 7.81 7 V 8.66 3.90 2.35 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 1.14 0.00 0.00 1.18 0.00 0.00 8 I 7.77 3.73 2.05 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 1.55 0.67 0.92 0.00 0.00 9 N 8.18 4.28 0.00 2.48 2.69 0.00 0.00 7.08 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 10 Y 8.11 4.07 0.00 3.31 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 11 L 8.67 3.92 0.00 2.03 1.80 1.10 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.50 4.36 0.00 2.78 2.82 0.00 0.00 6.70 7.73 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 13 K 8.22 3.87 0.00 1.81 1.98 0.00 1.59 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.43 1.45 7.81 14 L 8.17 3.80 0.00 0.99 1.13 0.95 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.92 3.95 0.00 1.67 1.83 1.02 1.08 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 16 G 8.13 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 17 N 8.03 4.34 0.00 2.98 2.91 0.00 0.00 7.04 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 18 E 8.28 4.08 0.00 2.26 2.28 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 2.74 2.89 0.00 19 L 8.28 4.31 0.00 1.66 1.73 0.94 1.09 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 20 V 7.72 3.65 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 0.87 0.00 0.00 0.95 0.00 0.00 21 A 8.12 3.85 1.48 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 0.00 0.00 22 I 8.27 3.76 2.04 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 1.55 1.08 0.90 0.00 0.00 23 N 7.81 4.40 0.00 2.80 2.86 0.00 0.00 6.75 7.83 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 24 Q 8.39 3.85 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.83 0.00 0.00 0.00 0.00 0.00 2.19 2.07 0.00 25 Y 8.25 4.33 0.00 3.22 2.86 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 26 F 8.46 3.80 0.00 3.41 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 27 L 8.23 3.91 0.00 1.96 1.58 0.89 0.86 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 28 H 8.12 3.77 0.00 3.53 3.19 0.00 5.72 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.35 4.14 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 30 R 7.70 3.78 0.00 1.71 1.87 0.00 3.23 0.00 0.00 3.05 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.58 0.00 31 M 7.87 3.40 0.00 0.90 1.64 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.12 0.00 32 F 7.63 4.62 0.00 3.30 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.31 3.94 0.00 1.97 1.87 0.00 1.57 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.42 7.81 34 N 7.83 4.23 0.00 2.68 2.69 0.00 0.00 7.35 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 35 W 7.82 4.76 0.00 3.75 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 36 G 8.31 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 37 L 8.04 4.48 0.00 2.20 1.67 1.08 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.95 3.87 0.00 1.99 1.82 0.00 1.59 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.57 7.81 39 R 8.30 3.93 0.00 2.00 2.02 0.00 3.47 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 40 L 7.77 4.14 0.00 1.69 1.12 1.13 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.12 4.44 0.00 3.14 2.99 0.00 0.00 7.09 8.59 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 42 D 8.02 4.32 0.00 2.87 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 43 V 7.62 3.33 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 -0.62 0.00 0.00 0.76 0.00 0.00 44 E 8.31 3.75 0.00 2.20 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 0.00 2.65 3.13 0.00 45 Y 8.17 3.91 0.00 2.95 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 46 H 8.24 4.20 0.00 3.23 3.22 0.00 5.66 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.77 3.67 0.00 1.16 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 1.93 2.03 0.00 48 S 8.01 4.10 0.00 3.96 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 49 I 7.26 3.55 1.85 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.55 0.85 0.00 0.00 50 D 7.80 4.27 0.00 2.84 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 51 E 8.31 4.19 0.00 2.17 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 2.69 2.79 0.00 52 M 8.06 4.06 0.00 2.04 2.23 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 2.76 2.55 0.00 53 K 8.14 3.94 0.00 1.87 1.82 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.64 7.81 54 H 8.24 4.08 0.00 3.57 3.48 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.34 4.25 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.25 4.31 0.00 2.92 2.87 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 57 R 7.91 3.85 0.00 1.82 1.76 0.00 3.14 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 58 Y 7.78 4.32 0.00 3.24 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.30 3.79 2.04 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.93 0.95 0.00 0.00 60 E 8.52 4.07 0.00 2.02 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 2.35 2.64 0.00 61 R 8.04 4.01 0.00 2.15 2.21 0.00 3.36 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.85 0.00 62 I 8.41 3.74 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.82 0.99 0.00 0.00 63 L 8.13 4.01 0.00 2.09 1.80 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.14 4.37 0.00 3.02 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 65 L 8.42 4.30 0.00 1.68 1.62 1.03 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.98 3.56 0.00 2.05 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 2.17 2.28 0.00 67 G 8.13 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 68 L 8.04 4.53 0.00 1.62 1.63 0.92 0.98 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 69 P 0.00 4.38 0.00 2.06 2.03 0.00 3.66 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 70 N 9.56 4.71 0.00 2.60 2.82 0.00 0.00 7.11 8.12 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 71 L 8.29 4.59 0.00 1.64 1.65 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.58 4.11 0.00 1.97 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.55 6.71 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 73 D 8.03 4.71 0.00 2.68 2.56 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 0.00 74 L 8.25 4.59 0.00 1.52 1.50 0.91 1.10 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 75 G 8.47 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 76 K 8.31 4.11 0.00 1.72 1.73 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.45 7.81 77 L 8.38 4.10 0.00 1.64 1.56 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.71 4.82 0.00 2.63 2.70 0.00 0.00 7.24 8.11 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 79 I 8.50 3.88 1.89 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 1.34 0.92 0.94 0.00 0.00 80 G 8.15 4.36 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 0.00 81 E 8.77 4.73 0.00 2.00 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 2.29 2.32 0.00 82 D 7.67 4.92 0.00 2.76 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 83 V 8.56 4.03 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 1.25 0.00 0.00 84 E 8.18 3.83 0.00 2.02 1.91 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 2.32 2.26 0.00 85 E 8.48 4.00 0.00 2.26 2.15 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 2.35 2.36 0.00 86 M 8.29 4.12 0.00 2.35 1.76 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.95 0.00 87 L 8.51 4.16 0.00 2.00 1.78 1.25 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.51 3.90 0.00 2.10 1.94 0.00 3.09 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 89 S 8.13 4.12 0.00 4.06 4.07 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 90 D 8.21 4.23 0.00 3.13 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 91 L 8.23 4.00 0.00 1.81 1.89 0.98 0.94 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 92 A 8.08 4.00 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 93 L 7.82 3.89 0.00 1.89 1.81 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.46 4.05 0.00 2.27 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 2.61 2.72 0.00 95 L 8.17 4.02 0.00 2.03 1.75 0.96 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 96 D 8.50 4.52 0.00 2.70 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 97 G 8.33 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 98 A 8.36 4.03 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 99 K 7.96 3.81 0.00 2.05 2.03 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.51 7.81 100 N 8.13 4.38 0.00 2.99 2.92 0.00 0.00 7.14 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 0.00 101 L 8.09 4.00 0.00 2.01 1.74 0.98 0.96 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 0.00 102 R 8.34 3.90 0.00 1.95 1.99 0.00 3.14 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.96 0.00 103 E 8.08 3.86 0.00 2.08 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 0.00 2.37 2.38 0.00 104 A 7.75 2.85 1.04 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 0.00 105 I 7.91 3.76 2.03 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 1.46 0.99 0.91 0.00 0.00 106 G 7.60 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.76 4.11 0.00 3.19 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 0.00 108 A 8.37 3.80 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 0.00 109 D 7.91 4.09 0.00 2.85 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 0.00 110 S 7.46 4.19 0.00 3.97 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 0.00 111 V 6.85 3.98 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 0.60 0.00 0.00 0.62 0.00 0.00 112 H 6.98 2.78 0.00 3.19 3.31 0.00 5.84 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 0.00 113 D 7.33 4.52 0.00 2.63 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 Y 7.41 4.29 0.00 3.10 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 V 7.87 3.77 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 0.94 0.00 0.00 0.98 0.00 0.00 116 S 8.29 4.17 0.00 4.17 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 0.00 117 R 8.16 3.89 0.00 1.96 2.20 0.00 3.33 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 118 D 8.42 4.30 0.00 2.96 2.81 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 0.00 119 M 8.31 3.98 0.00 2.23 2.03 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 120 M 8.19 4.14 0.00 2.15 2.26 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 2.90 2.78 0.00 121 I 8.10 3.73 2.00 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 1.53 0.97 0.91 0.00 0.00 122 E 8.17 3.96 0.00 2.13 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 2.34 0.00 123 I 7.55 3.54 1.94 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.59 0.70 0.00 0.00 124 L 8.19 3.95 0.00 1.84 1.86 0.95 0.91 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 0.00 125 R 8.10 3.87 0.00 2.03 2.15 0.00 3.15 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 126 D 7.98 4.35 0.00 3.02 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 0.00 127 E 8.24 4.00 0.00 2.15 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 2.57 2.52 0.00 128 E 8.60 4.12 0.00 2.26 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 2.34 2.36 0.00 129 G 7.99 3.70 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 0.00 0.00 0.00 130 H 8.19 4.43 0.00 3.65 3.59 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.34 3.81 2.12 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 1.50 0.95 0.97 0.00 0.00 132 D 8.47 4.38 0.00 2.96 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 0.00 133 W 8.43 4.11 0.00 3.56 3.49 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 0.00 134 L 8.47 3.76 0.00 1.96 1.75 1.30 1.54 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 0.00 135 E 8.46 3.91 0.00 2.19 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 136 T 7.92 3.78 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 1.17 0.00 0.00 137 E 7.61 3.76 0.00 1.54 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 0.00 1.47 1.47 0.00 138 L 7.80 3.78 0.00 1.70 1.62 0.89 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 139 D 8.09 4.38 0.00 2.79 2.66 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 0.00 140 L 8.15 3.96 0.00 1.89 1.85 0.97 0.84 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 0.00 141 I 7.43 3.42 1.71 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.28 -0.14 0.69 0.00 0.00 142 Q 7.36 3.93 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.96 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 143 K 8.15 4.13 0.00 1.71 1.86 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.64 7.81 144 M 8.40 4.37 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.84 0.00 145 G 7.56 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 L 8.37 3.96 0.00 1.74 1.66 0.93 0.68 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 0.00 147 Q 8.03 3.99 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.66 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 148 N 8.18 4.35 0.00 2.98 2.89 0.00 0.00 6.65 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 0.00 149 Y 7.88 3.94 0.00 3.05 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 0.00 150 L 8.39 4.10 0.00 2.03 1.71 1.07 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.21 3.90 0.00 2.11 2.22 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 2.33 2.37 0.00 152 A 7.68 4.10 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 Q 7.84 4.34 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.76 0.00 0.00 0.00 0.00 0.00 2.19 2.20 0.00 154 I 7.39 3.89 2.04 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 1.31 0.46 0.91 0.00 0.00 155 R 7.55 4.66 0.00 1.75 1.80 0.00 3.20 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 156 E 8.72 4.13 0.00 2.10 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 2.26 2.29 0.00