NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2255 8.2493 123.5815 51.8802 20.8879 177.6880 2 T 4.0835 7.5315 107.6468 60.1589 68.4575 169.9814 3 V 3.6977 8.3153 122.8352 64.3964 31.9264 178.7638 4 N 4.2922 8.0779 115.9594 56.1698 38.8616 176.4428 5 Q 4.1683 7.8434 118.3345 58.4821 29.1150 177.3281 6 L 4.0988 7.7347 121.3124 58.1788 41.8165 179.3305 7 V 3.7355 8.1022 118.9559 64.6655 30.8445 178.4710 8 R 4.2091 7.4794 117.4749 58.8879 29.8669 177.8166 9 K 4.4334 7.0756 113.5710 57.0439 35.3856 174.5713 10 P 4.3950 0.0000 0.0000 65.8363 31.3334 177.2107 11 R 4.5065 7.6924 113.5434 55.4840 33.2668 174.7725 12 A 4.2253 8.0224 119.8362 52.5585 18.7084 176.9989 13 R 4.5910 8.1671 112.7975 55.3236 30.9180 176.1770 14 K 3.7712 8.4271 118.8405 58.3518 32.9159 178.2131 15 V 3.0735 7.3990 105.2897 62.2303 27.4935 174.3967 16 A 3.9499 8.4294 132.4134 54.3557 18.3629 177.1887 17 K 3.7679 7.3239 115.7139 57.3298 31.9692 176.1334 18 S 4.2430 8.4116 118.5527 58.4019 64.2920 174.9421 19 N 3.8007 7.4720 113.1661 55.1980 36.2154 173.5769 20 V 4.3247 7.6161 123.4948 58.5996 31.9210 173.2695 21 P 4.3621 0.0000 0.0000 62.2971 32.7658 173.1604 22 A 3.7638 8.5349 127.1489 51.5513 18.1777 175.3938 23 L 4.4955 7.3064 119.3912 51.5118 44.9765 177.6441 24 E 3.7781 8.7861 121.8434 57.1396 30.6471 173.7355 25 A 4.4976 7.9988 124.1370 52.3739 26.3000 176.1895 26 C 4.8935 8.3224 109.7628 54.7002 33.7981 173.2595 27 P 4.3465 0.0000 0.0000 65.4585 31.5564 176.2113 28 Q 4.3707 7.8624 118.5591 55.3578 28.7249 175.2160 29 K 4.6457 8.3980 124.0822 54.7736 36.8447 174.5545 30 R 4.9109 8.4814 120.9213 54.8984 31.6609 176.8989 31 G 3.9694 9.0686 110.3873 44.2167 0.0000 172.2775 32 V 4.1642 8.4893 120.0256 61.8599 32.0508 176.5190 33 C 4.0075 9.2814 121.4698 60.3991 28.5109 176.6896 34 T 3.1242 8.2673 112.8829 63.7022 67.9891 172.3475 35 R 4.3508 8.0249 121.4205 55.3336 32.6175 174.8713 36 V 3.7811 9.1160 126.8487 61.8895 32.2788 175.1822 37 Y 5.1561 8.0244 118.6897 57.1514 41.5100 176.2289 38 T 4.5857 8.3203 111.5733 62.6508 69.7248 173.5267 39 T 3.9907 7.6297 114.4240 62.9987 67.9745 174.2115 40 T 3.4101 8.7765 120.1818 63.1333 64.8141 168.4838 41 P 4.0759 0.0000 0.0000 62.5929 31.5083 175.7927 42 K 4.7238 8.1916 121.2241 54.4764 36.4922 176.8363 43 K 3.9931 8.6915 118.7681 59.0991 31.9660 176.1416 44 P 4.2496 0.0000 0.0000 63.1073 30.9189 176.8793 45 N 4.6624 8.4085 122.8388 53.0240 35.9828 173.5292 46 S 4.2178 8.0877 114.9931 58.1193 63.5445 173.6703 47 A 4.6002 8.4871 128.7391 51.3719 20.4294 177.6130 48 L 3.8737 8.6807 122.2805 56.2034 41.1446 173.7353 49 R 4.0523 7.8839 118.5089 55.7086 29.3423 175.8740 50 K 4.9166 7.7834 120.7902 56.8171 30.1421 175.7126 51 V 3.9024 7.8938 124.6177 63.6386 32.0959 174.9219 52 C 4.4664 8.5225 123.7816 56.9688 32.1825 172.5390 53 R 4.9330 7.4177 115.7890 55.0375 30.8209 175.9315 54 V 4.4618 8.1790 120.4820 60.5045 33.8608 176.4262 55 R 4.2290 7.6975 129.1219 55.2727 28.6384 176.5278 56 L 4.0905 7.3975 118.7528 54.7361 42.5436 178.1048 57 T 4.2796 8.3294 121.4430 63.0892 67.1753 174.1566 58 N 4.9212 8.4275 119.6084 52.5662 41.6762 175.8822 59 G 4.0541 9.9006 107.5280 45.2399 0.0000 172.7759 60 F 4.6670 7.4311 119.0645 56.3960 42.6195 173.1934 61 E 4.1997 7.6674 122.8020 56.8308 29.9878 176.8058 62 V 4.8760 8.0009 113.7582 60.6254 36.5418 173.1901 63 T 5.2793 8.5502 111.1895 60.3251 71.9801 173.2587 64 S 5.1387 8.7850 117.7862 57.0687 66.4128 173.4646 65 Y 4.5409 9.2640 125.3126 57.0421 40.0384 176.2074 66 I 3.6795 6.7639 116.6515 60.9613 38.1158 177.9465 67 G 4.7201 7.4579 107.4216 45.0478 0.0000 173.6973 68 G 4.3516 7.3619 110.7376 44.3083 0.0000 172.2021 69 E 3.9250 7.8255 118.4752 56.4478 30.0068 173.4457 70 G 3.8411 8.6031 111.2963 45.7016 0.0000 172.8669 71 H 4.1034 8.6810 126.1413 58.3579 30.1533 174.8175 72 N 4.5958 7.9962 118.1770 52.8196 38.4207 174.1952 73 L 4.6316 7.9393 128.0083 52.8041 41.9097 175.2403 74 Q 4.2075 7.8633 124.1643 55.0562 30.1675 176.3694 75 E 4.0280 8.5413 120.9723 58.6439 29.7612 176.9948 76 H 4.4555 8.2209 114.1571 56.8434 29.3064 175.0652 77 S 4.5273 7.6235 115.6688 58.1668 64.2182 174.0308 78 V 5.3339 8.1018 119.0926 61.7616 31.7893 173.3858 79 I 4.2778 7.7107 124.3356 60.4793 40.7323 174.9577 80 L 4.8465 8.2896 121.0357 54.4510 42.7709 176.2275 81 I 4.8281 8.5978 123.2590 59.6687 40.2682 174.8520 82 R 4.6105 8.9426 121.2364 54.5775 32.9149 174.7629 83 G 3.9690 8.8870 108.1834 46.6988 0.0000 171.7996 84 G 3.5139 8.2001 107.5198 45.4423 0.0000 175.3672 85 R 4.2067 7.3164 121.4388 54.3264 29.3991 175.4088 86 V 3.6519 7.6430 122.1508 61.8952 32.3558 176.8302 87 K 3.7962 8.6966 124.7035 60.1987 32.2568 177.5082 88 D 4.3739 8.1411 118.2257 56.5245 40.8450 176.4688 89 L 4.5350 7.7096 119.5261 52.2328 42.5250 174.6090 90 P 4.3756 0.0000 0.0000 63.5895 32.3133 175.6227 91 G 4.2366 8.8568 115.1357 45.8211 0.0000 174.0247 92 V 3.8026 7.5480 118.9020 63.2710 31.7566 175.6920 93 R 4.4513 8.0986 122.4568 55.5878 31.5654 174.2554 94 Y 5.2024 7.5066 114.7790 57.2757 43.0447 173.2014 95 H 5.6845 9.5740 116.9935 53.4387 32.6293 172.3507 96 T 5.1044 8.6041 106.5839 60.1264 71.9353 173.8898 97 V 4.8256 8.4531 126.1721 59.8575 30.2775 175.7638 98 R 4.5736 8.1640 127.8610 57.2539 30.4162 178.0150 99 G 3.9235 8.1584 104.4612 46.1813 0.0000 174.0334 100 A 4.2130 7.7263 123.4062 52.2829 20.5464 182.1299 101 L 3.6630 8.5375 122.5178 56.3634 40.0580 176.1889 102 D 4.8898 9.0713 126.3149 54.9446 42.5288 175.9438 103 C 4.3081 7.8509 115.8510 59.9647 28.2202 174.0394 104 S 3.7495 9.0424 115.4074 58.7924 63.4908 174.0471 105 G 3.9209 8.4939 109.0622 44.4076 0.0000 175.6751 106 V 3.4437 8.5990 122.7621 62.7290 32.0067 174.4834 107 K 4.2179 8.4314 128.1281 55.5521 32.0413 176.2259 108 D 4.5174 8.7955 121.7800 54.7600 38.9368 175.7587 109 R 4.3522 7.3605 122.0469 55.7206 27.2779 176.7488 110 K 3.9186 8.2199 120.6438 59.3535 32.7382 178.9802 111 Q 4.1392 8.0005 116.6441 57.7412 29.3259 176.7927 112 A 4.2395 8.5692 120.9538 54.7785 20.4857 180.9332 113 R 3.1072 7.5712 107.9064 55.5985 32.6811 177.7960 114 S 4.3896 9.2349 112.2747 59.7945 64.3025 175.9076 115 K 4.0484 8.1536 122.1685 58.8497 32.2951 176.7106 116 Y 4.7375 8.4269 114.1115 56.8907 40.2567 173.8743 117 G 4.0324 8.5475 107.8391 45.8343 0.0000 172.7328 118 V 4.5001 7.3242 114.9792 59.3277 35.6500 175.8959 119 K 4.3666 8.2641 121.3684 55.9272 34.0223 176.5632 120 R 4.3027 8.1560 117.7523 55.2726 31.1962 175.9310 121 P 4.7381 0.0000 0.0000 62.7715 33.0148 176.0794 122 K 4.0896 8.5515 112.0027 61.3930 32.2141 176.4882 123 A 4.1725 7.6015 126.0920 52.5831 18.6291 177.0639 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 A 8.25 4.23 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 2 T 7.53 4.08 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 1.21 0.00 0.00 3 V 8.32 3.70 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 0.84 0.00 0.00 0.93 0.00 0.00 4 N 8.08 4.29 0.00 2.69 2.84 0.00 0.00 7.00 7.08 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 5 Q 7.84 4.17 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 6 L 7.73 4.10 0.00 1.80 1.79 0.92 0.87 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 7 V 8.10 3.74 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 0.84 0.00 0.00 0.92 0.00 0.00 8 R 7.48 4.21 0.00 1.84 2.03 0.00 3.19 0.00 0.00 3.27 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 9 K 7.08 4.43 0.00 1.91 1.81 0.00 1.60 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.32 7.81 10 P 0.00 4.39 0.00 2.19 2.35 0.00 3.73 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 11 R 7.69 4.51 0.00 1.70 1.90 0.00 3.30 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.67 0.00 12 A 8.02 4.23 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 13 R 8.17 4.59 0.00 1.86 1.97 0.00 3.19 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.52 0.00 14 K 8.43 3.77 0.00 1.71 1.86 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.50 7.81 15 V 7.40 3.07 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 0.75 0.00 0.00 0.92 0.00 0.00 16 A 8.43 3.95 1.28 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 K 7.32 3.77 0.00 1.81 1.78 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.39 7.81 18 S 8.41 4.24 0.00 3.93 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 N 7.47 3.80 0.00 2.76 3.17 0.00 0.00 6.82 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 20 V 7.62 4.32 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 0.77 0.00 0.00 0.92 0.00 0.00 21 P 0.00 4.36 0.00 2.16 2.06 0.00 3.83 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 22 A 8.53 3.76 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 23 L 7.31 4.50 0.00 1.61 1.40 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.79 3.78 0.00 2.14 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 0.00 2.21 2.36 0.00 25 A 8.00 4.50 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 26 C 8.32 4.89 0.00 3.03 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.35 0.00 2.26 2.28 0.00 3.77 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 28 Q 7.86 4.37 0.00 1.95 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 29 K 8.40 4.65 0.00 1.89 1.46 0.00 1.46 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.22 1.37 7.81 30 R 8.48 4.91 0.00 1.69 1.80 0.00 3.34 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 31 G 9.07 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 32 V 8.49 4.16 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 0.89 0.00 0.00 33 C 9.28 4.01 0.00 2.98 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 34 T 8.27 3.12 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 1.16 0.00 0.00 35 R 8.02 4.35 0.00 1.77 1.62 0.00 3.28 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.36 0.00 36 V 9.12 3.78 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 0.81 0.00 0.00 0.93 0.00 0.00 37 Y 8.02 5.16 0.00 3.03 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 38 T 8.32 4.59 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 1.25 0.00 0.00 39 T 7.63 3.99 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 0.97 0.00 0.00 40 T 8.78 3.41 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 1.21 0.00 0.00 41 P 0.00 4.08 0.00 2.03 2.04 0.00 3.61 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.16 0.00 42 K 8.19 4.72 0.00 1.82 1.68 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.40 7.81 43 K 8.69 3.99 0.00 1.74 1.86 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.37 7.81 44 P 0.00 4.25 0.00 2.18 2.11 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 45 N 8.41 4.66 0.00 2.75 2.84 0.00 0.00 7.21 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 46 S 8.09 4.22 0.00 3.91 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 47 A 8.49 4.60 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 48 L 8.68 3.87 0.00 1.73 1.68 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 49 R 7.88 4.05 0.00 1.85 2.00 0.00 3.32 0.00 0.00 3.53 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.85 0.00 50 K 7.78 4.92 0.00 1.75 1.88 0.00 1.34 0.00 0.00 2.34 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.25 7.81 51 V 7.89 3.90 2.20 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 1.02 0.00 0.00 1.09 0.00 0.00 52 C 8.52 4.47 0.00 3.00 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 53 R 7.42 4.93 0.00 1.76 1.79 0.00 2.93 0.00 0.00 3.08 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 54 V 8.18 4.46 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 0.77 0.00 0.00 0.93 0.00 0.00 55 R 7.70 4.23 0.00 1.77 1.82 0.00 3.33 0.00 0.00 3.20 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 56 L 7.40 4.09 0.00 1.70 1.75 0.73 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.33 4.28 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 1.21 0.00 0.00 58 N 8.43 4.92 0.00 2.72 2.84 0.00 0.00 7.40 7.65 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 59 G 9.90 4.05 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 0.00 0.00 0.00 60 F 7.43 4.67 0.00 2.95 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 61 E 7.67 4.20 0.00 1.89 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 2.24 2.07 0.00 62 V 8.00 4.88 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 0.98 0.00 0.00 1.10 0.00 0.00 63 T 8.55 5.28 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 1.36 0.00 0.00 64 S 8.78 5.14 0.00 3.80 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 Y 9.26 4.54 0.00 3.13 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 66 I 6.76 3.68 1.62 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 -0.36 0.71 0.00 0.00 67 G 7.46 4.72 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 68 G 7.36 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 0.00 0.00 0.00 69 E 7.83 3.92 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 2.18 2.33 0.00 70 G 8.60 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 0.00 0.00 0.00 71 H 8.68 4.10 0.00 3.11 3.28 0.00 5.73 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 72 N 8.00 4.60 0.00 2.70 2.72 0.00 0.00 6.64 7.78 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 73 L 7.94 4.63 0.00 1.54 1.47 0.90 0.73 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 74 Q 7.86 4.21 0.00 2.25 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.70 0.00 0.00 0.00 0.00 0.00 2.40 2.26 0.00 75 E 8.54 4.03 0.00 1.96 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 2.29 2.35 0.00 76 H 8.22 4.46 0.00 3.26 3.33 0.00 5.72 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 7.62 4.53 0.00 3.90 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 78 V 8.10 5.33 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 0.93 0.00 0.00 0.91 0.00 0.00 79 I 7.71 4.28 1.87 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 1.33 1.43 0.90 0.00 0.00 80 L 8.29 4.85 0.00 1.59 1.59 0.96 0.68 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 I 8.60 4.83 1.68 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.30 0.51 0.00 0.00 82 R 8.94 4.61 0.00 1.83 1.94 0.00 2.74 0.00 0.00 3.07 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.32 0.00 83 G 8.89 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 84 G 8.20 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 R 7.32 4.21 0.00 1.71 1.81 0.00 3.36 0.00 0.00 3.32 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 86 V 7.64 3.65 1.88 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 0.89 0.00 0.00 0.78 0.00 0.00 87 K 8.70 3.80 0.00 1.86 1.93 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.42 7.81 88 D 8.14 4.37 0.00 2.55 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 89 L 7.71 4.53 0.00 1.54 1.60 1.03 0.62 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 90 P 0.00 4.38 0.00 2.19 2.04 0.00 3.82 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 91 G 8.86 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 0.00 0.00 0.00 0.00 92 V 7.55 3.80 2.12 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 1.03 0.00 0.00 1.04 0.00 0.00 93 R 8.10 4.45 0.00 0.90 1.36 0.00 3.34 0.00 0.00 3.09 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.36 0.00 94 Y 7.51 5.20 0.00 2.85 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 95 H 9.57 5.68 0.00 3.40 3.56 0.00 5.51 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 T 8.60 5.10 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 1.33 0.00 0.00 97 V 8.45 4.83 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 0.76 0.00 0.00 0.97 0.00 0.00 98 R 8.16 4.57 0.00 1.92 2.06 0.00 3.26 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.91 0.00 99 G 8.16 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 A 7.73 4.21 1.28 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 0.00 101 L 8.54 3.66 0.00 1.80 1.03 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 102 D 9.07 4.89 0.00 2.60 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 0.00 0.00 0.00 0.00 103 C 7.85 4.31 0.00 3.14 3.13 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 0.00 104 S 9.04 3.75 0.00 3.94 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 0.00 105 G 8.49 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 V 8.60 3.44 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 -0.06 0.00 0.00 107 K 8.43 4.22 0.00 1.84 1.71 0.00 1.76 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.46 7.81 108 D 8.80 4.52 0.00 2.81 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 R 7.36 4.35 0.00 1.74 1.78 0.00 3.38 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.57 0.00 110 K 8.22 3.92 0.00 1.90 1.97 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.44 7.81 111 Q 8.00 4.14 0.00 2.08 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.08 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 112 A 8.57 4.24 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 0.00 113 R 7.57 3.11 0.00 1.97 1.61 0.00 3.39 0.00 0.00 3.41 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 114 S 9.23 4.39 0.00 4.03 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 0.00 115 K 8.15 4.05 0.00 1.73 2.02 0.00 1.70 0.00 0.00 1.56 0.00 0.00 2.85 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.14 1.36 7.81 116 Y 8.43 4.74 0.00 3.00 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 0.00 117 G 8.55 4.03 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 0.00 0.00 0.00 118 V 7.32 4.50 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 0.80 0.00 0.00 0.96 0.00 0.00 119 K 8.26 4.37 0.00 1.87 1.85 0.00 1.58 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.40 7.81 120 R 8.16 4.30 0.00 1.83 1.90 0.00 3.20 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 121 P 0.00 4.74 0.00 2.17 2.03 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 122 K 8.55 4.09 0.00 1.77 1.85 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.43 7.81 123 A 7.60 4.17 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