NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.5100 8.1749 117.3738 63.7016 70.0502 173.0425 2 T 4.5257 9.3426 121.9729 60.1045 71.7910 171.3904 3 I 5.0915 9.2652 121.0121 59.2497 41.3262 174.6009 4 V 4.6559 8.7725 116.1078 60.0410 36.6829 174.2823 5 G 4.4989 8.4781 107.6169 44.8998 0.0000 172.5578 6 V 4.5802 9.0233 123.4432 61.3464 35.0606 173.9022 7 K 4.9098 8.8239 127.6952 55.7204 33.6652 175.8517 8 F 5.0796 8.4293 117.7763 54.2740 41.2334 175.2832 9 N 4.1958 9.0795 117.7091 55.7854 36.6067 175.0313 10 N 4.8774 7.7693 113.9947 51.8329 40.5221 174.3725 11 G 3.5799 5.8256 103.8200 45.2320 0.0000 172.6050 12 V 5.0362 8.1065 119.3182 60.2135 34.6990 175.0851 13 V 4.7898 9.3104 122.1644 59.9975 34.7460 174.3387 14 I 5.1991 8.4010 114.8633 59.4356 40.8990 173.8355 15 A 4.8620 8.6202 123.5793 51.1265 23.1593 174.5672 16 A 5.5953 8.4159 118.3737 52.1785 22.1694 176.1935 17 D 4.7775 8.5380 119.9262 52.4322 42.0309 176.2373 18 T 4.7948 8.1935 106.3186 61.5531 70.3773 172.9320 19 R 4.7147 8.4326 122.2430 55.9080 31.4572 175.4567 20 S 4.9891 8.9219 120.3011 56.7188 65.4961 172.7045 21 T 5.1655 8.4447 114.8917 60.2846 72.5919 173.8276 22 Q 4.3119 8.7006 121.0287 54.7847 31.5463 176.1722 23 G 3.8716 8.2217 116.1091 46.4664 0.0000 171.2378 24 P 4.6417 0.0000 0.0000 62.2887 31.8157 175.0917 25 I 4.2967 7.4253 120.9795 59.6282 38.5693 175.1152 26 V 4.1125 8.2784 124.8636 62.6290 31.6673 175.5621 27 A 4.1756 8.9546 131.9881 54.4672 18.8974 177.2680 28 D 4.6600 7.6770 114.8699 52.8434 43.8998 175.6303 29 K 4.2718 8.7288 125.1319 57.9201 33.1957 176.7313 30 N 5.2696 8.7572 117.7706 52.4934 38.1083 172.9907 31 C 4.6093 8.4809 115.8096 57.5044 32.4141 174.7327 32 A 4.6157 8.4001 121.2949 50.4962 19.7230 176.7125 33 K 4.3218 8.7318 120.9887 56.8721 33.6456 176.0257 34 L 5.0448 7.7442 121.1142 53.5510 43.0455 175.4886 35 H 4.9529 9.5924 121.8726 53.8330 32.2914 173.1367 36 R 3.1481 7.8748 122.2153 54.7851 30.3126 176.0513 37 I 3.9032 8.4088 128.6767 63.3916 37.9789 175.8175 38 S 4.5842 7.3565 112.3658 56.2648 65.5348 173.0936 39 P 4.3436 0.0000 0.0000 65.4574 31.2979 177.5871 40 K 4.9320 8.1471 115.1283 55.9861 34.2602 175.7772 41 I 4.7435 8.1426 121.7014 59.6973 40.0778 174.6089 42 W 5.0744 9.1368 127.0958 54.8580 32.7510 174.6649 43 C 5.3251 9.6821 122.1000 57.7252 34.6416 172.3412 44 A 5.0665 9.2317 128.4648 50.4664 20.4798 175.7766 45 G 4.5291 9.0169 110.3790 44.4567 0.0000 172.2935 46 A 4.8462 9.5272 124.8707 49.7238 22.9690 175.0681 47 G 4.1505 9.0025 102.9819 44.7571 0.0000 176.3101 48 T 4.0570 9.5777 123.8338 63.2550 67.7691 175.1521 49 A 3.8383 8.3513 127.9267 55.5329 18.4836 178.6193 50 A 3.9640 8.0324 117.6789 55.2698 18.5272 179.5618 51 D 4.2305 8.0005 117.1286 57.6414 41.0318 178.8228 52 T 3.8431 7.9716 110.3544 64.6745 68.6469 176.0581 53 E 3.6320 8.2309 121.9584 58.8013 29.6557 178.5502 54 A 3.9203 8.1629 121.2173 55.2655 18.5076 180.0603 55 V 3.4422 7.7565 117.5659 65.1526 31.4019 178.7504 56 T 3.8303 7.8421 116.4730 66.4067 68.2454 176.8069 57 Q 3.8938 8.2029 120.1875 58.5635 28.7659 178.1421 58 L 3.8417 7.9766 121.5184 58.4839 42.0827 179.2669 59 I 3.7881 7.7813 119.7098 64.0766 36.9880 178.6733 60 G 3.5669 7.9985 106.7470 48.1413 0.0000 175.5767 61 S 4.0756 8.4797 116.0682 61.3499 62.3689 176.1633 62 N 4.4091 8.2859 118.9599 56.1258 38.1941 177.6164 63 I 3.6896 8.0208 121.9902 64.0972 37.1328 177.9379 64 E 3.8947 8.2442 120.1386 59.3703 29.5187 178.8116 65 L 4.0042 7.9389 118.9296 58.1155 41.5948 179.0759 66 H 4.1151 8.5062 118.2878 59.1920 29.8287 177.1449 67 S 4.2100 8.6263 115.3123 61.5957 62.0236 176.1983 68 L 4.0285 7.8955 120.2733 58.0105 41.4151 178.6401 69 Y 4.0872 8.1672 118.9336 60.1364 38.8673 177.0054 70 T 4.3533 8.2270 108.3773 60.7754 69.6609 174.7269 71 S 3.7992 8.1683 116.6613 59.8106 61.0465 171.9381 72 R 4.7753 7.7296 116.0945 53.9489 33.6856 175.3415 73 E 4.1857 8.5508 119.5036 55.5344 30.1474 175.6625 74 P 4.4620 0.0000 0.0000 62.7557 32.4618 175.9199 75 R 4.8239 8.1260 119.4161 54.2374 32.7854 177.5572 76 V 3.6325 9.0240 121.3095 66.3834 31.3730 179.0759 77 V 3.6644 7.7875 111.6104 64.4203 31.3393 178.5536 78 S 4.0504 7.9216 114.3659 61.4750 62.6042 176.5501 79 A 3.9493 7.8965 123.0041 54.9662 18.2137 179.2015 80 L 3.8678 8.0103 118.8852 58.3647 42.1830 179.1095 81 Q 3.9538 8.3007 119.5983 59.3980 28.9009 177.9176 82 M 4.0858 8.1739 119.8096 58.2581 31.9370 178.7371 83 L 3.9705 8.1405 119.4351 57.6329 41.8299 179.4933 84 K 3.9664 8.1034 118.6438 60.4909 32.3800 179.0887 85 Q 4.0920 8.2416 119.2405 58.4949 28.2982 178.3488 86 H 4.1982 7.9041 118.6566 59.4306 30.2344 176.9337 87 L 4.1620 8.4430 121.2471 57.8862 41.3497 179.4769 88 F 4.0216 8.7539 121.0372 61.0252 39.1364 177.0622 89 K 3.8131 8.0795 118.3934 59.0857 32.0029 177.2225 90 Y 4.2537 7.5324 115.5450 56.3186 37.7572 175.6130 91 Q 2.9362 7.8024 118.4107 56.8494 26.8869 175.7314 *93 G 3.9869 7.8069 103.1653 45.3611 0.0000 175.0377 94 H 4.2396 8.6457 117.9856 57.8577 28.8339 175.7466 95 I 4.1313 6.9107 117.3426 59.7409 36.4619 177.2071 96 G 4.0750 8.5371 119.1350 46.2155 0.0000 170.7190 97 A 5.1718 7.3797 119.5437 50.2287 22.0568 177.3804 98 Y 4.6213 8.8624 118.9698 56.2703 41.4663 174.7403 99 L 5.3800 8.6996 122.8804 53.0347 46.4871 175.9421 100 I 4.6024 8.7912 122.1914 59.6556 39.6125 174.9246 101 V 4.9079 8.5439 126.7764 59.8982 33.4508 174.8142 102 A 4.8133 9.8907 125.4516 49.4382 23.4164 174.9907 103 G 4.3773 7.6353 108.2335 45.6208 0.0000 172.0563 104 V 4.5431 7.7724 112.5273 59.4832 34.5156 176.1313 105 D 4.2864 8.4333 121.6950 53.8251 39.1100 175.0018 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 T 8.17 4.51 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 1.23 0.00 0.00 2 T 9.34 4.53 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 I 9.27 5.09 1.91 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 1.39 0.99 0.94 0.00 0.00 4 V 8.77 4.66 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 0.81 0.00 0.00 0.94 0.00 0.00 5 G 8.48 4.50 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 6 V 9.02 4.58 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 1.02 0.00 0.00 0.96 0.00 0.00 7 K 8.82 4.91 0.00 1.68 1.65 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.74 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.37 7.81 8 F 8.43 5.08 0.00 3.20 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 9 N 9.08 4.20 0.00 2.87 3.11 0.00 0.00 5.68 8.04 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 10 N 7.77 4.88 0.00 2.68 2.91 0.00 0.00 6.79 7.98 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 11 G 5.83 3.58 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 0.00 12 V 8.11 5.04 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 0.79 0.00 0.00 1.02 0.00 0.00 13 V 9.31 4.79 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 1.10 0.00 0.00 0.92 0.00 0.00 14 I 8.40 5.20 1.99 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.77 0.97 0.00 0.00 15 A 8.62 4.86 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 16 A 8.42 5.60 1.20 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 0.00 0.00 0.00 17 D 8.54 4.78 0.00 2.69 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 18 T 8.19 4.79 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 19 R 8.43 4.71 0.00 1.86 2.02 0.00 3.20 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 20 S 8.92 4.99 0.00 3.92 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 21 T 8.44 5.17 4.40 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 1.21 0.00 0.00 22 Q 8.70 4.31 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.70 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 23 G 8.22 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 24 P 0.00 4.64 0.00 2.18 2.15 0.00 3.75 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 1.93 1.97 0.00 25 I 7.43 4.30 2.00 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 1.18 0.61 0.91 0.00 0.00 26 V 8.28 4.11 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 0.83 0.00 0.00 0.93 0.00 0.00 27 A 8.95 4.18 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 28 D 7.68 4.66 0.00 2.66 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.73 4.27 0.00 1.79 1.84 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.74 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.43 1.42 7.81 30 N 8.76 5.27 0.00 2.67 2.68 0.00 0.00 7.14 7.95 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 31 C 8.48 4.61 0.00 3.05 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 32 A 8.40 4.62 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 33 K 8.73 4.32 0.00 1.73 2.01 0.00 1.75 0.00 0.00 1.84 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.48 7.81 34 L 7.74 5.04 0.00 1.59 1.88 0.96 1.03 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 35 H 9.59 4.95 0.00 2.96 3.06 0.00 5.60 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 36 R 7.87 3.15 0.00 0.67 1.15 0.00 3.13 0.00 0.00 3.05 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.75 0.00 37 I 8.41 3.90 1.90 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 1.26 0.60 0.85 0.00 0.00 38 S 7.36 4.58 0.00 3.94 3.88 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 0.00 0.00 0.00 0.00 39 P 0.00 4.34 0.00 2.12 2.27 0.00 3.62 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.17 0.00 40 K 8.15 4.93 0.00 1.75 1.84 0.00 1.66 0.00 0.00 1.87 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.53 7.81 41 I 8.14 4.74 1.84 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 1.26 1.13 1.00 0.00 0.00 42 W 9.14 5.07 0.00 3.32 3.20 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 0.00 43 C 9.68 5.33 0.00 2.94 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 44 A 9.23 5.07 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 45 G 9.02 4.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 9.53 4.85 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 47 G 9.00 4.15 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 0.00 48 T 9.58 4.06 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 1.22 0.00 0.00 49 A 8.35 3.84 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 50 A 8.03 3.96 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 51 D 8.00 4.23 0.00 2.92 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 52 T 7.97 3.84 4.28 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 1.37 0.00 0.00 53 E 8.23 3.63 0.00 2.07 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 2.28 2.31 0.00 54 A 8.16 3.92 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 55 V 7.76 3.44 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 0.84 0.00 0.00 0.84 0.00 0.00 56 T 7.84 3.83 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 1.08 0.00 0.00 57 Q 8.20 3.89 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.53 0.00 58 L 7.98 3.84 0.00 1.66 1.68 0.88 1.09 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 59 I 7.78 3.79 1.93 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.36 0.86 0.00 0.00 60 G 8.00 3.57 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 0.00 0.00 0.00 0.00 61 S 8.48 4.08 0.00 3.84 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 62 N 8.29 4.41 0.00 2.87 2.82 0.00 0.00 7.10 6.89 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 63 I 8.02 3.69 2.05 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.75 0.90 0.00 0.00 64 E 8.24 3.89 0.00 2.02 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 0.00 2.31 2.36 0.00 65 L 7.94 4.00 0.00 1.90 1.73 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 66 H 8.51 4.12 0.00 3.24 3.48 0.00 5.60 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.63 4.21 0.00 4.00 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 68 L 7.90 4.03 0.00 1.93 1.75 0.94 0.73 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 69 Y 8.17 4.09 0.00 3.07 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 70 T 8.23 4.35 4.26 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 1.19 0.00 0.00 71 S 8.17 3.80 0.00 4.04 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 72 R 7.73 4.78 0.00 1.77 1.80 0.00 3.23 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.83 0.00 73 E 8.55 4.19 0.00 1.98 1.90 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 2.33 2.29 0.00 74 P 0.00 4.46 0.00 2.05 1.99 0.00 3.66 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 2.04 2.13 0.00 75 R 8.13 4.82 0.00 1.85 1.81 0.00 3.15 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 76 V 9.02 3.63 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 1.05 0.00 0.00 1.09 0.00 0.00 77 V 7.79 3.66 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 0.76 0.00 0.00 0.93 0.00 0.00 78 S 7.92 4.05 0.00 4.02 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 79 A 7.90 3.95 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 80 L 8.01 3.87 0.00 1.91 1.88 0.93 0.50 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 81 Q 8.30 3.95 0.00 2.33 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 82 M 8.17 4.09 0.00 2.08 2.11 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 2.68 2.54 0.00 83 L 8.14 3.97 0.00 1.86 1.71 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 84 K 8.10 3.97 0.00 2.01 2.17 0.00 1.27 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.62 1.49 7.81 85 Q 8.24 4.09 0.00 2.28 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.86 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 86 H 7.90 4.20 0.00 3.25 3.58 0.00 5.96 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 L 8.44 4.16 0.00 1.86 1.71 0.86 0.86 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 F 8.75 4.02 0.00 3.23 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 89 K 8.08 3.81 0.00 2.01 2.00 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.08 1.36 7.81 90 Y 7.53 4.25 0.00 3.03 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 91 Q 7.80 2.94 0.00 1.99 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.52 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 *93 G 7.81 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 94 H 8.65 4.24 0.00 3.30 3.41 0.00 5.65 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 I 6.91 4.13 1.75 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.20 0.79 0.00 0.00 96 G 8.54 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 0.00 0.00 0.00 97 A 7.38 5.17 1.13 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 0.00 0.00 98 Y 8.86 4.62 0.00 3.02 2.88 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 0.00 0.00 0.00 0.00 99 L 8.70 5.38 0.00 1.50 1.67 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.79 4.60 1.93 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 1.33 0.91 0.96 0.00 0.00 101 V 8.54 4.91 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 0.74 0.00 0.00 0.96 0.00 0.00 102 A 9.89 4.81 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 0.00 103 G 7.64 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 0.00 0.00 0.00 0.00 104 V 7.77 4.54 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 0.75 0.00 0.00 0.97 0.00 0.00 105 D 8.43 4.29 0.00 2.78 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 * Residues marked with a * may have inaccurate shift predictions.