NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 E 4.2427 8.4293 121.4638 55.3525 31.5906 175.6778 15 E 4.3652 7.4974 114.6920 53.8267 31.9632 173.7746 16 D 3.9943 8.6574 117.6338 53.5363 44.7423 177.6880 17 A 3.0092 8.0278 131.5096 54.5820 18.5203 178.7454 18 S 4.4116 7.9710 108.3371 60.0456 63.2555 174.5730 19 Q 4.4365 6.8035 115.3901 54.8577 30.0745 174.6974 20 L 3.0874 7.3248 115.6978 55.6014 39.9517 175.5107 21 I 3.9918 6.9476 120.4699 59.9280 36.2669 175.1919 22 F 5.1076 7.9945 123.2464 54.2125 41.9311 174.0366 23 P 4.5893 0.0000 0.0000 62.3037 31.9565 177.5133 24 K 3.9775 9.0129 120.8598 61.0173 32.5158 178.5989 25 E 3.9501 8.3182 114.9817 58.2251 29.8942 180.2340 26 F 4.4978 7.7483 120.5584 56.6056 37.2719 174.8360 27 E 4.5218 7.8209 118.5554 57.8436 32.6595 178.8980 28 T 4.2063 7.9353 109.9177 62.2301 67.4574 173.8800 29 A 4.5150 7.3631 122.2684 51.5800 20.1902 176.3698 30 E 4.7309 8.3366 119.7751 54.3190 32.2881 175.9679 31 T 4.3654 8.2972 115.0094 61.0826 70.1040 173.8428 32 L 4.9695 8.0194 121.8574 52.4363 45.0231 177.3900 33 L 4.3608 9.0067 123.3315 54.4262 43.6040 178.1989 34 N 4.3619 9.2332 119.5296 56.7190 38.4601 178.1845 35 S 4.2710 7.9916 117.3676 61.1615 62.9845 176.3455 36 E 3.9977 8.0999 120.7910 59.2626 29.2518 179.2675 37 V 3.5963 8.1318 118.6336 66.3467 31.5459 177.3277 38 H 4.1335 8.5112 118.0982 59.6598 29.7614 176.9012 39 M 3.9771 8.1418 120.1137 58.4486 31.8495 178.6224 40 L 4.0451 8.1622 119.1934 58.0958 41.9031 179.8080 41 L 4.3227 8.4712 119.1089 57.7052 41.5299 179.1982 42 E 4.0213 8.3606 119.7057 59.4028 29.5283 178.4255 43 H 4.2211 8.2631 118.1627 59.2598 30.0063 177.2007 44 R 3.8544 8.1237 120.5837 59.1404 29.8181 178.5122 45 K 3.9013 8.3352 121.9269 60.2553 32.3099 179.3244 46 Q 4.1264 7.9881 120.8114 60.4783 27.6441 180.8367 47 Q 4.0926 7.7327 118.5425 58.8815 28.8836 177.8316 48 N 4.7698 7.9043 120.5585 57.3491 39.0419 176.6256 49 E 3.9982 8.5895 119.0251 60.6708 29.9004 180.2698 50 S 4.4055 8.0911 114.2375 57.9032 64.1130 174.1638 51 A 3.5446 8.5379 122.6607 53.4444 14.6702 177.2010 52 E 4.1875 8.0337 118.8971 56.7718 31.1284 176.4841 53 D 4.6775 9.7754 111.3166 55.2205 36.5058 170.5566 54 E 4.5592 8.0123 122.8486 55.9122 32.5937 174.8966 55 Q 4.1642 8.6749 125.0035 54.6699 28.7643 172.8522 56 E 4.1192 8.4903 117.1562 56.4320 29.9760 176.8735 57 L 4.1306 8.0333 120.2873 54.1897 42.6297 177.5408 58 S 4.4836 8.2130 115.1273 58.0063 65.1296 174.8450 59 E 3.9748 8.6399 122.6780 59.3408 29.4223 178.8484 60 V 3.6067 7.8869 117.9223 66.6776 31.5679 176.8469 61 F 4.0833 8.4187 120.0033 60.8391 39.0751 176.5411 62 M 3.8015 8.7092 117.1696 58.9612 32.3553 179.0481 63 K 3.9881 8.4486 118.6939 59.9525 32.2118 179.5471 64 T 3.9588 7.8447 115.9718 66.2149 68.4136 176.7186 65 L 3.7808 8.0299 122.8271 58.0993 41.9954 178.8787 66 N 4.3239 8.2040 116.3995 56.2427 38.3665 176.8459 67 Y 4.0962 8.0080 119.9097 60.9275 39.3758 177.6578 68 T 3.9280 8.2348 113.7274 65.2082 67.4763 175.4940 69 A 3.5353 7.6832 122.2401 55.2413 18.2150 179.4079 70 R 3.8074 7.8214 116.2166 58.5539 29.9607 176.9799 71 F 4.5630 7.0495 113.7191 56.7112 40.1258 175.0291 72 S 4.1862 8.3348 118.3350 58.4261 62.6019 174.8465 73 R 3.9378 8.3489 125.9718 56.5262 30.7092 175.4021 74 F 5.0215 7.2787 118.8166 55.8977 38.7777 176.6774 75 K 4.0793 8.4737 126.3607 55.7139 32.2791 175.6754 76 N 4.9998 7.5595 116.5415 52.3741 41.5417 174.7628 77 R 3.8902 8.5829 127.7176 59.9542 30.2123 178.4530 78 E 3.9599 8.2666 117.4384 59.6932 29.4744 179.1744 79 T 3.8458 8.6396 116.0494 66.9155 68.5825 176.1892 80 I 3.4392 7.8634 121.2094 64.6102 37.1062 178.2180 81 A 3.9552 7.7159 120.9398 55.1063 18.1201 179.8190 82 S 4.1589 7.9171 114.1699 60.8962 63.0148 176.8763 83 V 3.3226 7.6613 121.8749 65.5657 31.1674 177.6175 84 R 3.7748 7.8117 118.6082 59.6266 29.7322 178.4954 85 S 4.0616 8.3228 114.0654 61.3129 62.7651 175.6124 86 L 3.9333 7.8798 123.4226 58.2643 41.9729 178.8714 87 L 4.0943 7.9230 118.4083 57.3637 41.3274 178.9281 88 L 3.9703 7.9564 120.4230 58.2557 41.9481 178.5551 89 Q 4.4496 7.6446 114.4906 55.5722 29.9432 175.2417 90 K 4.6532 7.8543 123.2885 55.6725 35.2315 177.2521 91 K 4.3964 8.8310 127.8751 54.9088 29.4760 173.8703 92 L 5.1824 7.5687 121.9774 52.4032 45.8628 176.6832 93 H 4.6646 9.1686 121.0298 55.4009 32.0243 176.5203 94 K 3.9910 8.9033 126.8682 59.8902 31.9178 178.9943 95 F 3.9389 8.2422 119.9500 61.3991 39.5200 176.7205 96 E 4.0121 8.4334 117.7524 59.5200 29.2605 178.8157 97 L 3.9067 8.5991 120.2720 58.2672 42.2441 178.8013 98 A 3.9597 7.8698 120.0639 55.3870 18.2407 179.2046 99 C 3.9161 8.0476 117.2715 62.4249 31.6003 175.8163 100 L 3.9868 8.0353 120.5452 57.6056 40.9559 179.3256 101 A 4.1855 7.8088 120.0766 55.0765 18.3874 179.2762 102 N 4.4448 8.0251 114.1413 56.4994 38.8574 177.3734 103 L 4.0695 8.0092 118.1289 55.0024 43.1414 176.8219 104 C 4.2847 7.9751 116.1939 59.9273 25.9371 170.9341 105 P 4.4777 0.0000 0.0000 63.1055 32.0017 176.5729 106 E 4.5412 9.6076 118.2395 56.6974 31.1484 177.1440 107 T 5.5081 7.8733 109.6190 57.7817 73.1471 174.3156 108 A 3.9650 8.7779 124.4878 55.6586 18.3286 179.3327 109 E 3.8495 8.2657 117.0152 59.5312 29.5311 178.1503 110 E 3.8827 8.2158 118.8516 59.6026 29.6533 178.6705 111 S 4.1027 8.5832 113.0583 61.8291 62.2357 176.5143 112 K 3.9904 8.8015 120.7766 59.2221 31.5388 179.1767 113 A 3.9862 7.9668 120.3562 55.3467 18.4547 179.4386 114 L 4.1912 8.1236 116.2695 56.6127 43.3528 178.0496 115 I 4.6205 7.7907 119.5352 58.0189 37.1297 174.0255 116 P 4.8572 0.0000 0.0000 64.8078 31.4293 179.6627 117 S 4.1556 8.1017 112.2228 60.8236 63.1417 175.3470 118 L 4.1945 8.4819 121.3340 56.4603 41.6616 176.6777 119 E 4.0813 7.9565 120.2070 57.7865 29.7055 177.1549 120 G 3.9145 8.8638 112.7678 45.9752 0.0000 174.2585 121 R 3.7408 7.9361 120.5237 58.1730 30.1796 176.1382 122 F 5.0252 7.5355 112.9614 54.4739 43.3592 174.1377 123 E 4.2002 8.7326 122.1379 55.9757 31.3421 176.8168 124 D 4.4517 8.8547 125.9541 57.8866 40.7296 179.1000 125 E 3.9206 8.2597 116.8745 59.6747 29.7814 178.8247 126 E 4.0305 8.0384 118.2570 59.2733 29.8948 178.2449 127 L 3.6048 8.1664 120.7140 58.2436 42.1064 178.7491 128 Q 4.0349 8.6644 119.4857 58.6688 28.8178 178.2549 129 Q 3.9492 8.0076 119.5655 58.9635 28.8133 178.4286 130 I 3.6203 7.5325 120.2500 64.2546 37.1908 178.2287 131 L 3.9706 7.8419 119.6401 58.1053 41.6048 179.3390 132 D 4.4246 8.2104 118.6573 57.4761 40.4843 178.7524 133 D 4.3555 8.2235 118.7900 57.3289 41.1431 178.3190 134 I 3.9080 7.8143 120.2745 64.8758 37.1464 178.0937 135 Q 4.0916 8.2067 118.4368 59.7979 28.3638 179.7162 136 T 4.0006 7.6703 115.1957 66.6992 68.5691 176.4859 137 K 4.2900 8.2095 119.1590 57.5788 32.4474 177.9558 138 R 3.6223 7.2399 117.4077 57.2881 30.6924 177.7563 139 S 4.6312 8.1942 121.1142 56.2299 61.3245 173.2544 140 F 3.9141 8.2889 124.2227 58.6255 40.2955 177.3249 141 Q 4.5231 8.2328 119.8558 54.8899 29.1750 173.9002 *142 Y 4.4236 7.6206 122.0776 57.0356 37.6080 176.7499 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 14 E 8.43 4.24 0.00 1.93 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.29 0.00 15 E 7.50 4.37 0.00 2.18 1.86 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 2.14 2.28 0.00 16 D 8.66 3.99 0.00 2.56 2.37 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 17 A 8.03 3.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 S 7.97 4.41 0.00 3.97 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 19 Q 6.80 4.44 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.76 0.00 0.00 0.00 0.00 0.00 2.22 2.42 0.00 20 L 7.32 3.09 0.00 1.79 1.93 1.12 0.77 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 21 I 6.95 3.99 1.80 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 1.28 0.87 0.83 0.00 0.00 22 F 7.99 5.11 0.00 3.03 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 4.59 0.00 2.38 2.29 0.00 3.96 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.11 0.00 24 K 9.01 3.98 0.00 2.17 2.03 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.02 7.81 25 E 8.32 3.95 0.00 2.00 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 1.95 0.00 26 F 7.75 4.50 0.00 3.08 3.01 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 27 E 7.82 4.52 0.00 1.83 1.87 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 2.19 1.82 0.00 28 T 7.94 4.21 4.22 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 1.15 0.00 0.00 29 A 7.36 4.52 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 30 E 8.34 4.73 0.00 1.90 1.81 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 2.18 2.26 0.00 31 T 8.30 4.37 4.21 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 1.28 0.00 0.00 32 L 8.02 4.97 0.00 1.63 1.59 0.96 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 33 L 9.01 4.36 0.00 1.71 1.65 0.83 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 34 N 9.23 4.36 0.00 2.74 2.90 0.00 0.00 7.20 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 35 S 7.99 4.27 0.00 4.01 4.17 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.10 4.00 0.00 2.16 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 2.40 2.38 0.00 37 V 8.13 3.60 2.31 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 1.04 0.00 0.00 1.05 0.00 0.00 38 H 8.51 4.13 0.00 3.34 3.54 0.00 5.84 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 39 M 8.14 3.98 0.00 2.12 2.30 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 2.63 2.59 0.00 40 L 8.16 4.05 0.00 1.88 1.79 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.47 4.32 0.00 1.73 1.52 0.74 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.36 4.02 0.00 2.13 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 2.30 2.38 0.00 43 H 8.26 4.22 0.00 3.34 3.51 0.00 5.84 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.12 3.85 0.00 2.05 2.24 0.00 3.12 0.00 0.00 3.07 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.42 0.00 45 K 8.34 3.90 0.00 2.19 2.09 0.00 1.90 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.54 7.81 46 Q 7.99 4.13 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.60 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 47 Q 7.73 4.09 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.92 0.00 0.00 0.00 0.00 0.00 2.25 2.41 0.00 48 N 7.90 4.77 0.00 2.56 2.87 0.00 0.00 7.02 7.23 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 49 E 8.59 4.00 0.00 2.05 1.78 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 2.26 2.20 0.00 50 S 8.09 4.41 0.00 3.98 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 51 A 8.54 3.54 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 52 E 8.03 4.19 0.00 2.00 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 2.23 1.87 0.00 53 D 9.78 4.68 0.00 2.87 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 54 E 8.01 4.56 0.00 1.91 1.73 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 2.23 2.27 0.00 55 Q 8.67 4.16 0.00 2.11 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.76 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 56 E 8.49 4.12 0.00 2.32 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 57 L 8.03 4.13 0.00 1.56 1.29 -0.24 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 58 S 8.21 4.48 0.00 4.10 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 59 E 8.64 3.97 0.00 2.09 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 2.41 2.40 0.00 60 V 7.89 3.61 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 1.02 0.00 0.00 0.96 0.00 0.00 61 F 8.42 4.08 0.00 3.24 3.24 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 62 M 8.71 3.80 0.00 2.24 2.33 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.76 0.00 63 K 8.45 3.99 0.00 1.90 1.85 0.00 1.73 0.00 0.00 1.65 0.00 0.00 3.11 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.51 7.81 64 T 7.84 3.96 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 1.22 0.00 0.00 65 L 8.03 3.78 0.00 1.01 1.65 0.85 0.72 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 66 N 8.20 4.32 0.00 2.86 2.84 0.00 0.00 6.68 6.90 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 67 Y 8.01 4.10 0.00 3.03 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 68 T 8.23 3.93 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 1.31 0.00 0.00 69 A 7.68 3.54 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.82 3.81 0.00 1.57 1.92 0.00 2.99 0.00 0.00 2.97 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.14 0.00 71 F 7.05 4.56 0.00 2.70 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.33 4.19 0.00 3.86 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 73 R 8.35 3.94 0.00 0.67 1.16 0.00 2.98 0.00 0.00 3.10 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.27 0.00 74 F 7.28 5.02 0.00 3.27 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 75 K 8.47 4.08 0.00 1.77 1.72 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.36 0.99 7.81 76 N 7.56 5.00 0.00 2.76 2.74 0.00 0.00 6.66 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 77 R 8.58 3.89 0.00 2.02 1.93 0.00 3.36 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.31 0.00 78 E 8.27 3.96 0.00 2.26 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 1.98 0.00 79 T 8.64 3.85 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 1.36 0.00 0.00 80 I 7.86 3.44 2.06 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 1.01 0.87 0.00 0.00 81 A 7.72 3.96 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 82 S 7.92 4.16 0.00 4.04 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 83 V 7.66 3.32 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 0.51 0.00 0.00 -0.11 0.00 0.00 84 R 7.81 3.77 0.00 1.88 2.12 0.00 3.18 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 85 S 8.32 4.06 0.00 4.04 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 7.88 3.93 0.00 1.71 1.99 0.90 0.90 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 87 L 7.92 4.09 0.00 1.73 1.69 0.88 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 88 L 7.96 3.97 0.00 1.79 1.90 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 89 Q 7.64 4.45 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.37 0.00 0.00 0.00 0.00 0.00 2.70 2.37 0.00 90 K 7.85 4.65 0.00 1.82 1.79 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.23 1.62 7.81 91 K 8.83 4.40 0.00 1.81 1.64 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.36 1.05 7.81 92 L 7.57 5.18 0.00 1.74 1.66 0.97 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 93 H 9.17 4.66 0.00 3.34 3.35 0.00 5.65 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 K 8.90 3.99 0.00 1.96 1.94 0.00 1.93 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.59 1.57 7.81 95 F 8.24 3.94 0.00 2.76 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 96 E 8.43 4.01 0.00 2.38 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 2.59 2.58 0.00 97 L 8.60 3.91 0.00 1.69 1.84 0.92 1.16 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 98 A 7.87 3.96 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 99 C 8.05 3.92 0.00 2.87 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 0.00 100 L 8.04 3.99 0.00 1.91 1.70 0.96 0.54 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 0.00 101 A 7.81 4.19 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 0.00 102 N 8.03 4.44 0.00 2.71 2.82 0.00 0.00 7.08 7.25 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 0.00 103 L 8.01 4.07 0.00 1.68 1.69 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 104 C 7.98 4.28 0.00 2.98 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 0.00 105 P 0.00 4.48 0.00 2.18 2.06 0.00 3.74 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 0.00 106 E 9.61 4.54 0.00 1.93 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 2.27 2.22 0.00 107 T 7.87 5.51 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 1.22 0.00 0.00 108 A 8.78 3.96 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.27 3.85 0.00 2.05 1.96 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 2.40 2.40 0.00 110 E 8.22 3.88 0.00 2.10 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 2.32 2.35 0.00 111 S 8.58 4.10 0.00 4.02 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 0.00 112 K 8.80 3.99 0.00 2.03 2.01 0.00 1.67 0.00 0.00 1.94 0.00 0.00 3.11 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.66 1.57 7.81 113 A 7.97 3.99 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 L 8.12 4.19 0.00 1.63 1.76 0.92 0.77 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 0.00 115 I 7.79 4.62 1.94 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 0.72 1.03 0.00 0.00 116 P 0.00 4.86 0.00 2.22 2.35 0.00 4.00 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.96 0.00 117 S 8.10 4.16 0.00 4.09 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 8.48 4.19 0.00 1.90 1.92 1.01 1.03 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 0.00 119 E 7.96 4.08 0.00 2.08 1.89 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 2.34 2.34 0.00 120 G 8.86 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 R 7.94 3.74 0.00 1.65 0.96 0.00 3.06 0.00 0.00 2.99 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.67 0.00 122 F 7.54 5.03 0.00 2.92 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.73 4.20 0.00 2.15 1.86 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 2.41 2.49 0.00 124 D 8.85 4.45 0.00 2.78 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 0.00 125 E 8.26 3.92 0.00 1.95 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 0.00 2.34 2.36 0.00 126 E 8.04 4.03 0.00 2.09 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 2.29 2.38 0.00 127 L 8.17 3.60 0.00 1.79 1.82 0.76 0.84 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 0.00 128 Q 8.66 4.03 0.00 2.23 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.60 0.00 0.00 0.00 0.00 0.00 2.35 2.61 0.00 129 Q 8.01 3.95 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 130 I 7.53 3.62 1.81 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.79 0.80 0.00 0.00 131 L 7.84 3.97 0.00 1.86 1.72 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 132 D 8.21 4.42 0.00 2.88 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 0.00 133 D 8.22 4.36 0.00 2.75 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 0.00 134 I 7.81 3.91 2.11 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 1.53 1.01 1.11 0.00 0.00 135 Q 8.21 4.09 0.00 2.35 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.79 0.00 0.00 0.00 0.00 0.00 2.65 2.64 0.00 136 T 7.67 4.00 4.52 0.00 0.00 0.00 0.00 0.00 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 0.00 137 K 8.21 4.29 0.00 2.04 2.03 0.00 1.67 0.00 0.00 1.91 0.00 0.00 3.12 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.54 7.81 138 R 7.24 3.62 0.00 2.07 1.36 0.00 2.72 0.00 0.00 2.87 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 139 S 8.19 4.63 0.00 3.94 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 0.00 140 F 8.29 3.91 0.00 2.91 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 Q 8.23 4.52 0.00 2.01 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.65 0.00 0.00 0.00 0.00 0.00 2.18 1.92 0.00 *142 Y 7.62 4.42 0.00 2.07 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.