NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7813 8.3549 109.7377 45.5023 0.0000 174.0482 *2 T 4.0484 8.3770 120.4997 63.2160 69.7799 173.3531 3 V 4.0258 8.1673 126.0802 62.3943 32.9544 174.7148 4 A 4.7472 8.5793 129.2733 51.1642 19.4323 177.0284 5 A 4.2568 8.3259 123.8016 52.1802 19.3955 177.1281 6 K 4.7053 9.3190 120.9759 54.8375 34.5863 175.8611 7 S 4.4405 8.1792 117.2813 56.2612 66.3047 172.8762 8 E 4.3508 8.4457 122.6078 54.3887 32.6027 174.4104 9 I 4.2949 8.2663 128.4997 61.3002 36.9642 175.8001 10 Q 4.2683 9.0195 127.9961 57.9466 29.7598 176.9652 11 I 4.5806 7.4441 117.9579 59.8148 41.8026 175.0261 12 D 5.0526 8.4600 124.2012 53.1208 42.2885 173.9721 13 N 5.2748 8.2932 121.2893 51.1009 39.6705 175.3050 14 D 4.5394 8.7399 115.8145 55.5992 40.3442 176.3189 15 E 4.5958 8.9388 119.9114 57.6700 32.0713 176.3512 16 V 5.0568 7.8272 110.0323 59.8398 36.9384 174.0159 17 R 4.7898 8.7900 123.3074 54.7816 32.4935 174.4967 18 V 4.8326 8.9422 127.8430 61.6498 33.5650 174.3985 19 T 4.8366 8.9165 125.1534 61.5746 71.6280 172.7645 20 E 4.5544 9.0772 128.3781 55.2194 31.1765 174.7870 21 W 4.8846 8.8061 127.5599 54.8869 31.8353 175.2139 22 R 5.0068 9.1121 123.4454 54.4160 33.2102 174.4391 23 L 5.0055 9.0443 125.2616 52.1740 43.8452 174.6528 24 P 4.7031 0.0000 0.0000 61.5303 32.8416 174.5255 25 P 4.3415 0.0000 0.0000 64.6159 31.5925 176.8165 26 G 3.8596 9.1303 111.0327 46.0289 0.0000 173.1344 27 S 5.1099 7.7371 113.9063 56.7201 66.0379 172.5877 28 A 5.1957 8.5725 120.6982 50.7233 22.0312 177.6529 29 T 3.7482 8.9909 112.1814 62.6868 69.4352 175.7044 30 G 4.1504 8.2197 107.7962 45.0694 0.0000 172.5832 31 H 4.4206 8.5627 120.2763 56.9416 30.5139 173.8837 32 H 4.9828 8.7975 119.3942 54.8963 32.4828 171.9512 33 T 4.9783 8.3314 115.1139 62.0908 71.2616 173.5066 34 H 4.4870 9.4095 123.9787 54.5200 30.2838 175.8077 35 G 4.2174 8.5623 111.2893 46.6034 0.0000 172.9573 *37 D 5.0036 8.0957 119.1225 54.2914 42.8098 174.2026 38 Y 5.3809 8.5947 118.2244 56.0026 42.1988 173.4712 39 V 4.7050 8.9902 120.4558 61.1157 34.7536 174.2055 40 V 4.6988 8.2859 127.6445 61.1148 33.7471 174.4506 41 V 4.4391 8.8926 128.2664 60.5367 33.4962 173.3226 42 P 4.8153 0.0000 0.0000 62.1448 33.0762 175.0753 *44 A 4.5234 8.1852 120.6114 52.2225 19.5973 176.5026 45 D 4.6844 8.7842 119.7974 54.4156 42.0828 176.3832 46 G 4.0418 8.2445 107.7259 46.4728 0.0000 170.9362 47 E 5.3677 8.5136 119.6733 53.5069 33.8390 175.1644 *49 T 4.2821 8.2104 116.7443 63.4360 70.3493 173.1674 50 I 4.7911 9.0220 127.5389 59.5750 39.8588 174.6325 51 V 4.6586 8.8101 128.1789 61.1192 33.1586 175.6518 52 A 4.6500 8.8319 131.2124 50.6545 19.3897 176.1465 53 P 4.2030 0.0000 0.0000 65.5968 31.3498 177.4375 54 D 4.5461 8.0791 114.8656 53.2136 39.6724 177.2064 55 G 3.9831 8.3656 109.8692 45.6313 0.0000 174.4455 56 T 4.1218 8.1071 110.2212 61.7099 69.4458 173.3750 57 R 5.2643 8.2243 120.8879 54.5887 33.8966 174.8410 58 S 4.7601 9.0486 116.0541 56.7072 66.9262 172.5639 59 L 4.9913 8.5056 120.5963 53.2043 43.4043 175.7192 60 A 4.6728 8.2253 123.4167 50.1209 22.2975 174.9818 61 Q 4.4710 8.7319 121.6941 55.5503 29.9823 175.3371 62 L 4.7823 9.1642 124.0780 52.8680 44.5358 175.2693 63 K 4.8023 8.4542 123.9265 54.4218 35.2467 175.2638 64 T 4.1879 9.0617 124.1283 65.7741 68.7891 175.0694 65 G 3.9648 9.2171 114.6445 45.5125 0.0000 173.5983 66 R 4.3547 7.7653 120.6736 54.4832 29.1887 175.7668 67 S 5.3145 8.4828 119.3846 57.7610 64.5439 172.7274 68 Y 5.0164 7.8708 116.9152 55.7954 41.3608 173.2077 69 A 5.1501 8.6340 121.3563 50.4151 21.8891 175.7857 70 R 4.5092 8.5753 118.3270 54.4262 34.6247 174.4249 71 K 5.0085 8.2317 119.0655 54.2659 35.0923 175.7034 72 A 4.0711 8.9655 124.9296 54.2066 18.3048 177.9837 73 G 4.0162 9.4800 109.3833 45.1839 0.0000 174.6913 74 V 3.6969 7.6075 119.7660 63.6595 32.5514 174.8664 75 Q 5.0781 8.3229 125.8345 54.5414 31.6853 174.1251 76 H 4.8019 8.4145 117.8841 54.9579 32.7139 171.9014 77 D 5.2127 8.7691 119.1940 52.4819 43.7060 174.6860 78 V 4.7465 8.5135 126.0163 61.3475 33.3257 174.6018 79 R 5.0557 9.0814 126.8358 54.4095 33.8761 175.1977 80 N 4.7428 9.2218 121.3604 52.2885 39.9395 174.3684 81 E 4.4777 8.7214 124.3655 55.9495 29.9997 176.4979 82 S 4.6174 8.1102 115.3569 57.3182 64.7072 173.9979 83 T 4.2472 8.3099 108.3615 61.8970 69.1420 174.1404 84 A 4.8463 7.5261 124.3226 49.6849 21.4811 176.0839 85 E 4.1760 8.9034 122.3840 56.9019 30.5508 176.0309 86 I 4.5505 8.7022 127.5771 60.1034 39.3216 174.9361 87 V 5.0899 8.4303 125.8024 61.2333 34.3488 174.2081 88 F 5.2488 8.7530 121.3860 55.8196 41.8456 172.8995 89 L 5.1365 9.1681 120.7890 53.4821 43.9229 175.0688 90 E 5.2221 9.4918 124.4964 54.6563 32.3064 174.5695 91 I 4.8270 9.1625 128.8182 59.7331 39.1695 174.4397 92 E 4.7916 9.3551 128.2336 55.7182 31.0930 176.1369 93 L 4.6391 8.8104 125.0872 53.2863 42.3139 176.7448 94 K 4.3904 8.7022 123.7612 55.6720 33.4581 177.6058 95 A 4.2684 8.3685 123.5378 52.4929 19.0487 177.3867 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 0 G 8.35 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 *2 T 8.38 4.05 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 3 V 8.17 4.03 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 0.97 0.00 0.00 0.94 0.00 0.00 4 A 8.58 4.75 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 5 A 8.33 4.26 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 6 K 9.32 4.71 0.00 1.74 1.64 0.00 1.58 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.37 7.81 7 S 8.18 4.44 0.00 2.72 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 8 E 8.45 4.35 0.00 1.85 1.61 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 2.07 2.15 0.00 9 I 8.27 4.29 1.78 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 1.22 0.47 0.93 0.00 0.00 10 Q 9.02 4.27 0.00 1.86 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.60 0.00 0.00 0.00 0.00 0.00 2.30 2.25 0.00 11 I 7.44 4.58 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 1.22 0.57 0.91 0.00 0.00 12 D 8.46 5.05 0.00 2.54 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 13 N 8.29 5.27 0.00 2.84 2.79 0.00 0.00 6.88 8.17 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 14 D 8.74 4.54 0.00 2.81 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 15 E 8.94 4.60 0.00 1.98 2.01 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 2.24 2.41 0.00 16 V 7.83 5.06 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 0.69 0.00 0.00 1.00 0.00 0.00 17 R 8.79 4.79 0.00 2.00 1.79 0.00 3.22 0.00 0.00 3.09 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 18 V 8.94 4.83 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 0.98 0.00 0.00 0.95 0.00 0.00 19 T 8.92 4.84 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 0.30 0.00 0.00 20 E 9.08 4.55 0.00 1.89 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.20 0.00 21 W 8.81 4.88 0.00 1.85 2.42 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 22 R 9.11 5.01 0.00 1.67 1.94 0.00 3.02 0.00 0.00 3.30 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 23 L 9.04 5.01 0.00 1.68 1.66 1.05 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.70 0.00 2.09 1.99 0.00 3.66 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.14 0.00 25 P 0.00 4.34 0.00 2.05 2.20 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 2.05 2.12 0.00 26 G 9.13 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 0.00 0.00 0.00 27 S 7.74 5.11 0.00 4.08 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 28 A 8.57 5.20 1.23 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 0.00 0.00 0.00 29 T 8.99 3.75 3.98 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 0.93 0.00 0.00 30 G 8.22 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 31 H 8.56 4.42 0.00 3.16 3.25 0.00 5.93 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 32 H 8.80 4.98 0.00 3.12 3.29 0.00 5.26 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.33 4.98 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 1.23 0.00 0.00 34 H 9.41 4.49 0.00 3.23 3.34 0.00 5.60 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 35 G 8.56 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 0.00 0.00 0.00 0.00 *37 D 8.10 5.00 0.00 2.68 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.59 5.38 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 39 V 8.99 4.71 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 0.91 0.00 0.00 40 V 8.29 4.70 0.67 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 0.54 0.00 0.00 0.81 0.00 0.00 41 V 8.89 4.44 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 1.05 0.00 0.00 0.94 0.00 0.00 42 P 0.00 4.82 0.00 2.38 2.11 0.00 3.77 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.21 0.00 *44 A 8.19 4.52 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 D 8.78 4.68 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 46 G 8.24 4.04 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 0.00 47 E 8.51 5.37 0.00 1.93 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 2.17 2.14 0.00 *49 T 8.21 4.28 4.33 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 1.23 0.00 0.00 50 I 9.02 4.79 1.85 0.00 0.00 0.82 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 0.67 0.91 0.00 0.00 51 V 8.81 4.66 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 0.95 0.00 0.00 0.93 0.00 0.00 52 A 8.83 4.65 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 53 P 0.00 4.20 0.00 2.05 2.13 0.00 3.70 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.22 0.00 54 D 8.08 4.55 0.00 2.78 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 55 G 8.37 3.98 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 0.00 0.00 0.00 56 T 8.11 4.12 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 1.30 0.00 0.00 57 R 8.22 5.26 0.00 1.65 1.81 0.00 3.15 0.00 0.00 3.27 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 58 S 9.05 4.76 0.00 3.79 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 59 L 8.51 4.99 0.00 1.52 1.59 1.01 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 60 A 8.23 4.67 1.08 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 61 Q 8.73 4.47 0.00 1.92 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.65 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 62 L 9.16 4.78 0.00 1.59 1.63 0.96 0.89 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 63 K 8.45 4.80 0.00 1.85 1.65 0.00 1.89 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.51 7.81 64 T 9.06 4.19 4.27 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 0.00 0.00 0.00 1.24 0.00 0.00 65 G 9.22 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 0.00 0.00 0.00 66 R 7.77 4.35 0.00 1.80 2.08 0.00 3.34 0.00 0.00 3.32 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 67 S 8.48 5.31 0.00 3.98 3.85 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 68 Y 7.87 5.02 0.00 2.97 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 69 A 8.63 5.15 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 70 R 8.58 4.51 0.00 0.67 1.13 0.00 3.17 0.00 0.00 3.06 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.49 0.00 71 K 8.23 5.01 0.00 1.64 1.69 0.00 1.94 0.00 0.00 1.79 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.33 7.81 72 A 8.97 4.07 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 73 G 9.48 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 74 V 7.61 3.70 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 0.72 0.00 0.00 0.99 0.00 0.00 75 Q 8.32 5.08 0.00 1.95 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.57 0.00 0.00 0.00 0.00 0.00 2.26 2.53 0.00 76 H 8.41 4.80 0.00 3.11 3.29 0.00 5.23 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 D 8.77 5.21 0.00 2.84 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 V 8.51 4.75 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 0.93 0.00 0.00 0.61 0.00 0.00 79 R 9.08 5.06 0.00 1.64 1.78 0.00 3.18 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 80 N 9.22 4.74 0.00 2.77 2.87 0.00 0.00 7.30 7.20 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 81 E 8.72 4.48 0.00 1.99 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 2.24 2.28 0.00 82 S 8.11 4.62 0.00 3.99 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 83 T 8.31 4.25 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 84 A 7.53 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 85 E 8.90 4.18 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 2.33 2.39 0.00 86 I 8.70 4.55 2.00 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 1.20 0.54 1.22 0.00 0.00 87 V 8.43 5.09 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 0.84 0.00 0.00 0.96 0.00 0.00 88 F 8.75 5.25 0.00 3.31 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 89 L 9.17 5.14 0.00 1.72 1.68 0.93 0.81 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 90 E 9.49 5.22 0.00 2.47 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 2.24 2.46 0.00 91 I 9.16 4.83 1.93 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 1.26 0.60 0.95 0.00 0.00 92 E 9.36 4.79 0.00 2.05 1.94 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 2.38 2.36 0.00 93 L 8.81 4.64 0.00 1.54 1.66 0.94 0.81 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 94 K 8.70 4.39 0.00 1.76 1.75 0.00 1.82 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.42 7.81 95 A 8.37 4.27 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 * Residues marked with a * may have inaccurate shift predictions.