NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.2501 0.0000 0.0000 62.4662 31.5142 174.4697 3 V 3.8027 7.9665 122.5742 59.4694 31.4362 174.1960 4 S 4.4644 9.2537 123.8848 57.7081 65.0011 173.0869 5 L 4.7340 8.2494 122.5768 53.0186 43.7140 175.8130 6 S 4.7960 8.4666 118.2551 57.4083 64.9912 174.0030 *7 Y 4.6140 8.2187 123.5151 56.1680 40.5815 172.9032 8 R 4.4600 8.4094 123.4776 54.1044 30.7391 174.0994 9 C 4.5777 8.6214 120.6774 55.3161 40.4150 172.3519 10 P 4.1296 0.0000 0.0000 64.4443 31.2905 177.1419 11 C 5.0016 8.0970 115.4292 55.2578 41.8384 173.4403 12 R 4.1622 8.7362 123.0380 55.9604 31.9220 176.1397 13 F 4.9976 8.0410 114.5547 55.3438 42.1678 174.1995 14 F 5.2700 8.0511 116.4077 55.0655 41.0385 173.4470 15 E 4.6355 9.2366 123.0794 54.8200 31.1069 176.6032 16 S 4.7122 8.7741 120.5700 59.1465 64.5930 174.3844 17 H 4.7371 8.5077 120.5002 54.5483 27.2333 175.2143 18 V 4.5150 7.4809 117.4576 60.9847 34.9304 174.2379 19 A 4.5260 9.4670 130.2086 49.9136 21.3210 177.4235 20 R 2.0000 7.1257 119.5481 58.6993 30.0121 178.8262 21 A 4.0045 7.4128 118.7874 54.5085 18.7361 177.8948 22 N 4.4378 7.9434 113.1243 54.7063 39.0445 175.0991 23 V 4.4573 6.9786 117.9144 61.5883 32.6854 175.3371 24 K 4.3913 8.8683 128.4445 58.7486 33.1325 175.8085 25 H 4.9008 7.3333 112.5924 55.7619 31.0639 172.9705 26 L 5.2469 8.8691 118.4830 52.8829 44.4484 176.0097 27 K 4.5350 9.2372 123.2113 54.7861 35.0780 174.8247 28 I 4.8402 8.3606 128.4299 59.2302 38.5349 175.4052 29 L 4.0308 8.5857 127.8285 54.1332 42.0809 178.1719 30 N 4.6943 8.2693 122.9770 52.9031 38.0244 176.5322 31 T 4.6176 7.0642 111.1870 59.0179 68.9777 173.4189 32 P 4.4333 0.0000 0.0000 65.1044 31.9455 177.9674 33 N 4.5164 7.9999 115.7689 54.3194 37.8639 175.4935 34 C 4.8092 7.9258 117.4426 54.9878 42.0331 174.8139 35 A 3.7087 8.5582 126.1413 53.9961 18.2743 177.3416 36 L 4.5856 7.2307 112.3122 53.5071 43.2398 176.1130 37 Q 4.5868 8.5528 121.7149 55.5013 31.2528 175.0603 38 I 4.7943 7.6061 121.3475 59.6024 39.4069 174.5579 39 V 4.9129 8.9357 127.2989 60.9433 34.4106 173.8756 40 A 5.1787 9.3723 129.4269 50.2023 21.9611 175.1285 41 R 4.7126 8.5972 122.7340 54.9563 31.4754 175.7648 42 L 4.7884 8.8954 127.0483 54.1538 43.4005 176.7812 43 K 4.0591 8.7913 121.5773 57.4382 32.8143 176.7121 44 N 4.8581 9.1094 123.3980 53.6252 35.6402 175.4899 45 N 4.7706 7.6809 112.0727 51.6614 39.1174 174.9742 46 N 4.3894 8.1713 113.7749 53.8796 36.1570 174.2871 47 R 4.3082 7.2674 114.4437 56.2620 31.6196 175.4502 48 Q 5.1992 8.5268 119.9796 54.4523 31.1713 175.5626 49 V 4.6251 8.6972 115.6867 59.8753 36.7411 173.6998 50 C 5.1155 8.9043 121.3937 56.5291 41.4831 172.7989 51 I 5.1287 8.1257 116.9918 58.6020 40.5030 174.8608 52 D 4.2141 8.8951 123.4905 54.1061 41.3317 175.5731 53 P 4.1980 0.0000 0.0000 64.7214 31.5014 177.2004 54 K 4.2018 7.9705 116.3483 56.0803 32.5414 176.8484 55 L 3.9923 7.4210 121.2438 54.2052 42.1997 177.8560 56 K 3.8510 8.8963 125.0676 59.4302 32.0785 178.6042 57 W 4.6309 8.1085 116.0335 59.1053 28.0843 178.2352 58 I 3.2202 6.7973 121.5023 64.2225 36.2290 178.2223 59 Q 4.0517 7.3865 116.0596 58.9825 28.7253 178.0739 60 E 4.1740 8.1948 120.4905 59.3990 29.5764 178.1419 61 Y 4.1367 8.7845 120.0275 60.7394 38.9568 177.6442 62 L 4.2072 8.9331 118.1879 55.0425 42.0834 181.0199 63 E 3.1206 8.9180 115.3270 56.2208 32.8451 178.9838 64 K 3.9612 5.6600 123.6303 57.2993 32.4855 181.0483 65 A 4.0974 7.9405 120.4938 54.0252 18.1524 176.7912 66 L 4.5610 7.0272 112.0120 56.1411 44.5008 176.1606 67 N 4.4915 8.8481 121.6810 53.8808 38.8185 174.8738 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 2 P 0.00 4.25 0.00 2.05 2.10 0.00 3.63 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 1.92 2.07 0.00 3 V 7.97 3.80 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 0.79 0.00 0.00 0.93 0.00 0.00 4 S 9.25 4.46 0.00 4.01 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 5 L 8.25 4.73 0.00 1.61 1.61 0.92 0.84 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 6 S 8.47 4.80 0.00 3.95 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 *7 Y 8.22 4.61 0.00 2.30 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 0.00 0.00 0.00 8 R 8.41 4.46 0.00 1.82 1.74 0.00 3.23 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.21 0.00 9 C 8.62 4.58 0.00 2.94 3.06 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 10 P 0.00 4.13 0.00 2.06 2.13 0.00 3.63 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 11 C 8.10 5.00 0.00 3.11 3.05 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 12 R 8.74 4.16 0.00 1.55 1.55 0.00 3.13 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.61 0.00 13 F 8.04 5.00 0.00 3.01 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 14 F 8.05 5.27 0.00 3.12 2.99 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 15 E 9.24 4.64 0.00 2.07 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 2.25 2.43 0.00 16 S 8.77 4.71 0.00 3.95 3.94 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 17 H 8.51 4.74 0.00 3.35 3.31 0.00 5.60 0.00 0.00 0.00 0.00 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.48 4.51 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 0.95 0.00 0.00 1.05 0.00 0.00 19 A 9.47 4.53 1.09 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 0.00 0.00 20 R 7.13 2.00 0.00 1.04 1.32 0.00 3.35 0.00 0.00 3.59 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.48 0.00 21 A 7.41 4.00 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 22 N 7.94 4.44 0.00 2.73 2.82 0.00 0.00 6.40 7.26 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 23 V 6.98 4.46 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 0.81 0.00 0.00 1.00 0.00 0.00 24 K 8.87 4.39 0.00 1.73 1.94 0.00 1.94 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.43 7.81 25 H 7.33 4.90 0.00 3.27 3.45 0.00 5.63 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.87 5.25 0.00 1.59 1.61 0.69 0.78 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 27 K 9.24 4.53 0.00 1.81 1.65 0.00 1.61 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.40 7.81 28 I 8.36 4.84 1.88 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 1.34 0.80 0.90 0.00 0.00 29 L 8.59 4.03 0.00 1.53 1.61 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.27 4.69 0.00 2.66 2.75 0.00 0.00 6.82 7.70 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 31 T 7.06 4.62 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 1.21 0.00 0.00 32 P 0.00 4.43 0.00 2.19 2.20 0.00 3.75 0.00 0.00 3.77 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 33 N 8.00 4.52 0.00 2.84 2.97 0.00 0.00 6.01 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 34 C 7.93 4.81 0.00 3.07 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.56 3.71 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 36 L 7.23 4.59 0.00 1.67 1.60 1.07 0.65 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 37 Q 8.55 4.59 0.00 1.94 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.89 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 38 I 7.61 4.79 1.80 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 1.17 0.58 0.84 0.00 0.00 39 V 8.94 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 1.02 0.00 0.00 0.96 0.00 0.00 40 A 9.37 5.18 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 R 8.60 4.71 0.00 1.86 1.44 0.00 3.12 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.55 0.00 42 L 8.90 4.79 0.00 1.60 1.55 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 43 K 8.79 4.06 0.00 1.57 1.72 0.00 1.97 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.36 7.81 44 N 9.11 4.86 0.00 2.88 3.01 0.00 0.00 6.76 8.00 0.00 0.00 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 N 7.68 4.77 0.00 2.86 3.01 0.00 0.00 6.20 6.96 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 46 N 8.17 4.39 0.00 2.90 2.97 0.00 0.00 7.32 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 47 R 7.27 4.31 0.00 1.74 1.84 0.00 3.07 0.00 0.00 3.16 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 48 Q 8.53 5.20 0.00 1.92 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 49 V 8.70 4.63 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 0.80 0.00 0.00 0.99 0.00 0.00 50 C 8.90 5.12 0.00 3.20 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 51 I 8.13 5.13 1.93 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.54 1.01 0.00 0.00 52 D 8.90 4.21 0.00 3.09 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 53 P 0.00 4.20 0.00 1.92 1.96 0.00 3.35 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.95 0.00 54 K 7.97 4.20 0.00 1.83 1.76 0.00 1.46 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.35 1.37 7.81 55 L 7.42 3.99 0.00 1.11 1.18 1.02 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.90 3.85 0.00 1.84 1.89 0.00 1.79 0.00 0.00 1.91 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.53 7.81 57 W 8.11 4.63 0.00 3.66 3.35 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 58 I 6.80 3.22 1.55 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.15 -0.36 0.63 0.00 0.00 59 Q 7.39 4.05 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.98 0.00 0.00 0.00 0.00 0.00 2.61 2.41 0.00 60 E 8.19 4.17 0.00 2.38 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 2.46 2.59 0.00 61 Y 8.78 4.14 0.00 3.51 3.30 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 62 L 8.93 4.21 0.00 1.79 1.73 0.92 0.90 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 63 E 8.92 3.12 0.00 2.22 2.34 0.00 0.00 0.00 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 2.26 0.00 64 K 5.66 3.96 0.00 1.73 1.88 0.00 1.81 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.28 7.81 65 A 7.94 4.10 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 66 L 7.03 4.56 0.00 1.89 1.63 0.92 0.97 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 67 N 8.85 4.49 0.00 2.64 2.70 0.00 0.00 7.23 7.59 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 * Residues marked with a * may have inaccurate shift predictions.