NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.4605 8.1693 120.6577 54.2681 42.5716 177.4039 4 P 4.3955 0.0000 0.0000 59.9532 32.1906 174.6365 5 P 4.6525 0.0000 0.0000 65.3995 33.7394 176.3920 6 D 5.3879 7.7770 119.6995 52.8628 42.3575 175.8858 7 I 4.8229 8.9036 116.8510 59.6816 41.8160 173.7262 8 T 4.5936 7.8732 115.2809 61.0191 71.0480 171.9819 9 F 5.4563 8.5725 122.5560 54.6468 42.8646 174.9400 10 D 4.7552 8.3317 120.8463 52.6872 42.2983 177.0534 11 S 4.0751 8.7616 113.3558 61.9573 62.8337 176.4065 12 L 3.9386 7.9244 122.3096 58.0164 41.6877 178.5943 13 A 3.9926 7.7493 119.7829 54.9991 18.4288 178.8599 14 L 3.5899 7.7748 117.7504 58.3850 42.1607 178.7298 15 I 4.0377 7.3433 117.9341 64.3841 37.4105 178.6381 16 K 4.2751 8.0293 119.0477 56.9561 32.3452 178.2702 *18 H 4.7820 8.1353 115.2973 55.1461 30.6603 174.0937 19 S 4.5177 7.5204 114.6234 57.4568 63.9219 174.3521 20 Q 4.1866 8.8275 120.6520 59.3949 28.4020 180.6396 21 S 4.2841 7.9641 113.2890 58.7450 62.4620 176.0744 *23 K 4.3745 8.4149 126.1989 56.3321 34.0436 181.4004 24 K 4.0743 8.0111 124.1254 59.6545 31.6722 180.8557 25 I 3.9022 7.7497 121.0238 64.0842 36.9983 178.0908 26 L 4.0086 7.9296 120.5634 58.0714 41.4518 178.0336 27 E 3.9153 8.3681 119.4786 59.9098 29.3983 179.2235 28 I 3.8536 8.0140 119.2203 64.3008 37.1013 178.7674 29 T 4.4469 8.1759 117.1010 66.8836 68.1996 176.8128 30 L 4.1892 8.1807 119.2698 57.2702 41.6642 178.9056 31 A 4.1730 7.6511 119.4646 54.0511 18.5767 178.6588 32 K 3.9598 7.6543 116.9767 56.5929 33.0800 176.4061 33 F 5.2958 7.5355 115.6632 55.8601 42.4897 175.3791 34 T 4.4450 9.2842 118.7866 62.6464 70.1018 174.1451 35 V 4.6237 8.6032 127.4205 61.8888 33.0408 174.3930 36 N 5.4212 9.1088 128.0235 51.9847 38.2692 173.7014 37 L 4.3908 9.0180 124.3128 53.0045 43.6530 176.5276 38 S 4.5062 8.6232 118.5259 58.0734 63.1478 174.7291 39 I 3.7846 8.4597 126.7564 64.0626 37.5568 178.5710 40 V 3.8078 7.7945 119.1988 66.1883 31.2957 178.0937 41 T 3.8728 7.7794 115.0782 66.5345 68.3717 176.5301 42 V 3.6017 7.8025 120.1050 66.2018 31.5794 177.3160 43 Y 4.1763 8.4023 119.4729 60.8612 38.1764 178.2504 44 R 3.1779 7.6636 118.7633 59.1755 30.2246 178.3502 45 Y 3.9866 8.1095 119.2913 60.8390 38.7842 178.3104 46 L 4.0328 8.5093 120.0637 57.7255 41.6445 179.7190 47 T 3.8404 7.5486 116.0648 66.7659 68.0500 177.1764 48 V 3.6135 7.2953 113.6197 64.0930 31.5070 178.9634 49 R 3.8114 7.5874 117.3261 59.2229 29.8426 178.9661 50 A 4.0337 8.4181 120.9538 55.2178 18.0969 179.0121 51 Y 3.9448 8.0261 117.4154 60.3180 38.8374 177.2654 52 L 4.3917 7.3841 117.3184 53.6034 41.8665 176.5801 53 K 3.9250 7.9154 117.0277 57.2575 30.1191 176.1371 54 K 4.0933 7.7963 117.2224 56.0128 32.7262 177.6065 55 N 4.5562 8.5314 120.0845 53.2756 39.1821 175.7002 56 I 4.0019 8.2609 123.1980 63.0565 38.1620 177.5323 57 E 4.0085 8.3079 120.6296 59.6678 29.2167 179.0633 58 L 4.0394 8.1897 118.7157 57.9147 41.7949 179.5396 59 E 4.0758 8.2281 118.6257 59.1149 29.4309 179.0483 60 L 4.0465 8.7308 121.2666 58.1702 42.0459 178.2995 61 D 4.3823 8.0947 117.9650 57.5108 40.9327 178.5705 62 V 3.6121 7.6038 118.5738 66.1244 31.4773 178.0343 63 L 4.1846 7.9455 118.2604 57.7941 41.2331 179.5512 64 K 3.9997 8.4790 117.9800 59.7117 32.0433 178.7269 65 D 4.5111 7.8321 118.6349 56.3902 40.9051 177.9230 66 I 4.0187 7.3222 111.7790 60.5316 38.7544 175.1371 67 Y 4.9978 7.3817 117.4988 55.8881 41.2480 175.3468 68 N 4.6601 9.0668 121.7478 53.2706 39.8929 173.8478 69 I 4.6641 8.4003 128.0234 60.4667 38.7164 175.7006 70 V 4.2695 9.0945 128.6449 60.4093 32.6592 173.2733 71 P 4.6432 0.0000 0.0000 62.3909 32.2481 176.6738 72 L 3.9966 8.4867 124.7963 54.8459 41.6625 175.2887 73 N 5.0557 8.0935 127.2528 51.2004 40.4694 175.5415 74 E 3.9396 8.6417 115.9552 61.5613 29.7346 174.7337 75 E 4.1517 8.0298 119.2765 59.3679 29.5283 179.4469 76 I 3.5580 8.0722 119.9524 64.0914 37.0029 178.3998 77 A 3.9127 7.9340 121.7544 54.9878 18.0886 179.6599 78 I 3.5960 7.7016 118.2769 64.6404 37.1769 178.7136 79 K 3.8724 7.8733 118.4267 59.5123 31.8344 179.3282 80 A 3.8525 8.2914 120.9838 54.8055 18.2941 179.4318 81 A 3.8616 8.0899 119.4004 55.4687 18.5176 179.7857 82 Q 3.9000 8.2210 116.6299 59.1628 28.7382 179.1408 83 I 2.6750 7.6318 120.8373 64.1086 36.8818 178.0932 84 E 3.8069 8.1567 118.5563 59.1462 29.5676 178.3044 85 A 4.1161 8.2125 119.7794 55.1731 18.8604 178.6882 86 D 4.5649 8.1600 116.4335 57.4860 41.1018 179.8202 87 L 4.3438 7.8865 118.3737 56.0177 41.6942 179.0920 *89 R 4.3678 7.9856 119.0061 55.9940 31.5585 179.1903 90 K 4.3774 7.8839 113.9253 56.9198 32.1133 177.0271 *91 G 3.7925 7.8145 111.8614 44.6838 0.0000 172.0052 *94 P 4.1031 0.0000 0.0000 62.7371 32.7958 177.1197 95 D 4.4972 8.2311 121.8485 55.3865 41.5492 178.1554 96 I 3.8601 8.2677 124.3886 64.0662 37.2925 178.2199 97 E 3.9487 8.2836 119.5895 59.6659 29.2415 178.6007 98 D 4.4491 7.9886 118.1431 57.2436 40.9954 178.6440 99 V 3.5677 7.6591 118.4658 66.1958 31.5711 178.1635 100 L 4.1047 8.1495 118.7765 57.9190 41.3888 179.7521 101 T 3.8429 8.1927 115.6052 66.4981 68.3580 176.6177 102 A 3.8939 8.4513 122.7927 55.1735 18.6002 179.4062 103 A 3.9167 8.4970 119.6197 55.7884 18.3232 180.0749 104 T 3.8911 8.0050 113.9497 66.6147 68.5309 176.9558 105 A 3.9443 8.0038 122.7936 54.9979 18.3784 179.5325 106 I 3.5957 7.9835 118.5715 64.6972 37.0351 177.7353 107 Y 4.0911 7.6763 118.8999 61.0787 38.5688 177.3759 108 T 3.9927 8.2263 106.1103 61.1225 69.4433 174.3663 109 K 3.7559 7.4652 121.0061 58.0398 30.1652 174.7903 110 S 4.8964 8.2029 113.3068 56.2698 65.6407 175.7759 111 L 4.0185 8.3725 127.2212 55.0640 43.2479 175.3768 112 L 4.4166 9.0557 129.9066 54.3440 43.3197 175.1484 113 I 4.4144 8.4097 128.7953 59.9962 38.8252 174.8435 114 T 4.9388 8.1100 120.5744 60.4832 70.9985 173.4467 115 D 4.8126 8.9411 125.1527 54.9275 41.7013 176.4171 116 D 4.8189 8.4652 117.8152 53.2713 41.5243 175.6070 117 S 4.2752 8.3231 121.6924 61.6214 63.9747 177.8909 118 K 4.0976 8.1645 122.0545 57.3838 31.6006 182.7328 119 R 4.1033 7.3594 114.1102 57.9473 29.4488 176.7349 120 Y 4.5372 7.4607 114.9460 58.1494 38.6256 176.1079 121 E 4.1565 8.0482 121.4028 58.8865 29.7292 177.8476 122 P 4.4563 0.0000 0.0000 62.9189 30.8559 178.2406 *124 R 4.6762 8.2036 118.4727 56.2611 31.5349 180.4315 125 R 3.9300 7.9916 113.4337 58.4760 29.4470 177.0839 126 F 4.5317 8.1444 115.9877 57.4356 38.8380 176.4044 127 G 3.9983 8.2301 109.4929 44.6162 0.0000 173.9445 128 L 4.1329 7.7255 122.2139 55.1108 42.9769 175.5057 129 D 4.9710 8.6908 126.0683 53.1404 43.0237 175.5803 130 T 5.3305 7.9828 113.6441 58.3602 72.1308 171.2574 *132 P 4.4374 0.0000 0.0000 62.3809 32.7653 177.5239 133 L 4.1160 8.7175 123.4467 58.4291 41.9982 179.2104 134 D 4.4258 8.2195 118.3790 57.6293 40.8379 178.9880 135 K 4.0923 8.0743 118.2952 59.0902 32.2013 179.1160 136 F 4.2398 8.5237 121.3984 61.3914 39.5016 177.2888 137 V 3.5074 8.6845 120.6327 66.4046 31.0410 178.6725 138 K 4.1714 7.7725 124.3147 60.6011 31.7640 181.2395 139 E 4.3652 8.0089 117.1357 59.4359 29.7071 180.4650 140 V 3.9826 7.0406 116.3926 66.1227 31.8911 175.9057 141 E 4.2566 7.7952 120.2482 56.6787 29.8630 176.1893 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 3 L 8.17 4.46 0.00 1.72 1.86 0.95 0.77 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 4 P 0.00 4.40 0.00 2.32 2.20 0.00 3.78 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.00 0.00 5 P 0.00 4.65 0.00 2.19 2.39 0.00 3.73 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.03 0.00 6 D 7.78 5.39 0.00 2.58 2.61 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 7 I 8.90 4.82 1.17 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.79 0.49 0.00 0.00 8 T 7.87 4.59 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 1.04 0.00 0.00 9 F 8.57 5.46 0.00 2.73 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 10 D 8.33 4.76 0.00 2.91 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 11 S 8.76 4.08 0.00 3.89 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 12 L 7.92 3.94 0.00 1.76 1.69 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 13 A 7.75 3.99 1.53 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 14 L 7.77 3.59 0.00 1.49 1.71 0.30 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 15 I 7.34 4.04 2.05 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.95 0.94 0.00 0.00 16 K 8.03 4.28 0.00 1.94 1.82 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.60 7.81 *18 H 8.14 4.78 0.00 3.43 3.48 0.00 5.71 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 S 7.52 4.52 0.00 3.95 3.90 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 20 Q 8.83 4.19 0.00 2.07 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.79 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 21 S 7.96 4.28 0.00 3.99 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 *23 K 8.41 4.37 0.00 1.73 1.90 0.00 1.79 0.00 0.00 1.85 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.01 7.81 24 K 8.01 4.07 0.00 1.75 1.84 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.44 1.10 7.81 25 I 7.75 3.90 1.91 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 1.53 0.68 0.93 0.00 0.00 26 L 7.93 4.01 0.00 1.78 1.83 1.00 0.80 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 27 E 8.37 3.92 0.00 2.32 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 2.32 2.38 0.00 28 I 8.01 3.85 1.87 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 1.52 0.63 0.91 0.00 0.00 29 T 8.18 4.45 4.66 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 1.73 0.00 0.00 30 L 8.18 4.19 0.00 1.63 1.72 0.78 0.78 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 31 A 7.65 4.17 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 32 K 7.65 3.96 0.00 1.62 1.09 0.00 1.55 0.00 0.00 1.43 0.00 0.00 2.74 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.50 1.11 7.81 33 F 7.54 5.30 0.00 3.23 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 9.28 4.44 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 1.27 0.00 0.00 35 V 8.60 4.62 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 1.15 0.00 0.00 1.24 0.00 0.00 36 N 9.11 5.42 0.00 2.58 2.79 0.00 0.00 7.04 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 37 L 9.02 4.39 0.00 1.49 1.48 0.23 0.51 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 38 S 8.62 4.51 0.00 3.85 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 39 I 8.46 3.78 1.89 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 1.43 1.37 0.94 0.00 0.00 40 V 7.79 3.81 2.13 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 1.09 0.00 0.00 0.95 0.00 0.00 41 T 7.78 3.87 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 1.15 0.00 0.00 42 V 7.80 3.60 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 1.07 0.00 0.00 0.96 0.00 0.00 43 Y 8.40 4.18 0.00 3.10 3.17 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 44 R 7.66 3.18 0.00 1.93 1.79 0.00 2.91 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.06 0.00 45 Y 8.11 3.99 0.00 3.05 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 46 L 8.51 4.03 0.00 1.89 1.74 1.02 0.84 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 47 T 7.55 3.84 4.16 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 1.16 0.00 0.00 48 V 7.30 3.61 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 0.75 0.00 0.00 0.71 0.00 0.00 49 R 7.59 3.81 0.00 1.84 1.87 0.00 3.04 0.00 0.00 2.62 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.41 0.00 50 A 8.42 4.03 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 51 Y 8.03 3.94 0.00 3.01 3.14 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 52 L 7.38 4.39 0.00 1.83 1.68 0.96 0.87 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 53 K 7.92 3.92 0.00 1.85 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.25 1.45 7.81 54 K 7.80 4.09 0.00 1.75 1.84 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.60 1.49 7.81 55 N 8.53 4.56 0.00 2.76 2.74 0.00 0.00 6.75 7.90 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 56 I 8.26 4.00 1.91 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 1.66 0.69 0.99 0.00 0.00 57 E 8.31 4.01 0.00 2.40 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 2.40 1.99 0.00 58 L 8.19 4.04 0.00 2.01 1.74 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.23 4.08 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 2.38 2.53 0.00 60 L 8.73 4.05 0.00 1.85 1.89 1.00 0.90 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 61 D 8.09 4.38 0.00 2.99 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 62 V 7.60 3.61 2.27 0.00 0.00 0.00 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 0.96 0.00 0.00 63 L 7.95 4.18 0.00 2.05 1.92 1.04 0.83 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 64 K 8.48 4.00 0.00 1.89 1.92 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.70 7.81 65 D 7.83 4.51 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 66 I 7.32 4.02 1.44 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 -0.36 0.75 0.00 0.00 67 Y 7.38 5.00 0.00 3.00 2.83 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 68 N 9.07 4.66 0.00 2.93 2.91 0.00 0.00 7.28 7.58 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 69 I 8.40 4.66 1.93 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.79 0.95 0.00 0.00 70 V 9.09 4.27 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 1.08 0.00 0.00 1.08 0.00 0.00 71 P 0.00 4.64 0.00 1.96 1.97 0.00 3.76 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 72 L 8.49 4.00 0.00 1.82 1.56 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 73 N 8.09 5.06 0.00 2.88 2.85 0.00 0.00 6.29 7.66 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 74 E 8.64 3.94 0.00 2.00 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 2.31 1.97 0.00 75 E 8.03 4.15 0.00 1.90 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 2.46 2.42 0.00 76 I 8.07 3.56 1.74 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 -0.26 0.80 0.00 0.00 77 A 7.93 3.91 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 78 I 7.70 3.60 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 1.51 0.77 0.91 0.00 0.00 79 K 7.87 3.87 0.00 1.79 1.85 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.71 7.81 80 A 8.29 3.85 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 81 A 8.09 3.86 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 82 Q 8.22 3.90 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.72 0.00 0.00 0.00 0.00 0.00 2.39 2.62 0.00 83 I 7.63 2.68 1.70 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.27 0.55 0.00 0.00 84 E 8.16 3.81 0.00 1.94 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 2.29 2.29 0.00 85 A 8.21 4.12 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 86 D 8.16 4.56 0.00 2.95 3.12 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 0.00 0.00 0.00 87 L 7.89 4.34 0.00 1.87 1.69 1.18 1.15 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 *89 R 7.99 4.37 0.00 1.85 1.89 0.00 3.25 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.23 0.00 90 K 7.88 4.38 0.00 1.94 1.87 0.00 1.86 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.56 7.81 *91 G 7.81 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 *94 P 0.00 4.10 0.00 2.18 2.07 0.00 3.76 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 1.85 1.94 0.00 95 D 8.23 4.50 0.00 2.71 2.59 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 96 I 8.27 3.86 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.41 0.91 0.00 0.00 97 E 8.28 3.95 0.00 2.08 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 2.43 2.48 0.00 98 D 7.99 4.45 0.00 2.83 2.57 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 99 V 7.66 3.57 2.18 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 0.81 0.00 0.00 0.93 0.00 0.00 100 L 8.15 4.10 0.00 1.74 1.69 0.91 0.82 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 T 8.19 3.84 4.51 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 1.20 0.00 0.00 102 A 8.45 3.89 1.45 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 0.00 0.00 0.00 103 A 8.50 3.92 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 0.00 104 T 8.00 3.89 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 1.24 0.00 0.00 105 A 8.00 3.94 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 0.00 106 I 7.98 3.60 2.06 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 1.46 0.92 0.98 0.00 0.00 107 Y 7.68 4.09 0.00 2.99 3.25 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 0.00 108 T 8.23 3.99 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 1.39 0.00 0.00 109 K 7.47 3.76 0.00 1.81 1.82 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.31 7.81 110 S 8.20 4.90 0.00 3.58 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 0.00 111 L 8.37 4.02 0.00 1.68 1.35 0.79 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 112 L 9.06 4.42 0.00 1.48 1.35 0.63 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 113 I 8.41 4.41 0.88 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 0.36 0.66 0.76 0.00 0.00 114 T 8.11 4.94 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 1.23 0.00 0.00 115 D 8.94 4.81 0.00 2.71 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 0.00 116 D 8.47 4.82 0.00 2.73 2.48 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 0.00 117 S 8.32 4.28 0.00 3.98 3.96 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 0.00 118 K 8.16 4.10 0.00 1.68 1.82 0.00 1.79 0.00 0.00 1.87 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.00 7.81 119 R 7.36 4.10 0.00 1.55 1.95 0.00 2.96 0.00 0.00 3.10 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.93 0.00 120 Y 7.46 4.54 0.00 3.15 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 0.00 121 E 8.05 4.16 0.00 2.11 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 2.35 2.37 0.00 122 P 0.00 4.46 0.00 2.16 2.13 0.00 3.85 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 *124 R 8.20 4.68 0.00 1.76 1.98 0.00 3.25 0.00 0.00 3.39 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.20 0.00 125 R 7.99 3.93 0.00 1.63 1.95 0.00 2.86 0.00 0.00 2.99 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.50 0.00 126 F 8.14 4.53 0.00 3.08 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 0.00 127 G 8.23 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 L 7.73 4.13 0.00 1.70 1.64 0.81 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.69 4.97 0.00 2.57 2.50 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 0.00 130 T 7.98 5.33 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 1.07 0.00 0.00 *132 P 0.00 4.44 0.00 2.27 2.09 0.00 3.63 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 2.04 2.11 0.00 133 L 8.72 4.12 0.00 1.85 1.75 1.15 1.21 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 0.00 134 D 8.22 4.43 0.00 2.85 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 0.00 135 K 8.07 4.09 0.00 1.98 1.90 0.00 1.70 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.53 7.81 136 F 8.52 4.24 0.00 3.11 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 0.00 137 V 8.68 3.51 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 0.93 0.00 0.00 1.13 0.00 0.00 138 K 7.77 4.17 0.00 1.90 1.71 0.00 1.86 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.33 7.81 139 E 8.01 4.37 0.00 2.07 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 2.26 2.18 0.00 140 V 7.04 3.98 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 0.97 0.00 0.00 0.17 0.00 0.00 141 E 7.80 4.26 0.00 2.19 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 0.00 2.58 2.30 0.00 * Residues marked with a * may have inaccurate shift predictions.