NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 4.8011 8.4444 117.8283 55.9235 29.0111 171.7759 1 M 4.5429 8.0526 122.6392 52.9581 35.4950 173.7985 2 R 4.2278 9.5927 125.8781 55.3109 30.2985 176.9411 3 I 3.6156 8.4160 124.3205 64.6452 36.9796 178.5824 4 V 3.5889 7.3914 118.4498 66.1734 31.7117 177.1825 5 E 4.0992 8.0708 120.2476 58.3212 29.4697 176.3327 6 E 4.4980 7.8990 116.3734 57.6983 32.7480 177.2374 7 M 4.4859 7.3121 116.9660 55.7379 32.1610 176.5304 8 V 4.3427 8.2946 116.3298 61.7860 34.6107 176.0883 9 G 3.9138 8.9891 114.3992 45.2678 0.0000 173.0387 10 K 4.3475 7.3199 121.9607 55.5275 33.6799 175.9331 11 E 4.7075 8.7684 126.3510 56.2892 31.1717 175.5040 12 V 4.7253 8.9054 123.8895 61.1802 34.0398 174.1984 13 L 5.8411 9.2549 128.0075 52.3837 44.6294 176.7688 14 D 4.7464 8.4137 122.4450 52.3045 40.9374 176.7908 15 S 4.2530 8.5033 112.1361 60.6608 63.0945 175.2594 16 S 4.5253 8.2082 116.2079 58.0215 62.5837 173.9135 17 A 3.6963 7.6729 120.8963 52.7763 16.6291 178.2072 18 K 4.3027 8.3649 119.5830 56.4043 33.4084 175.8320 19 V 4.5916 7.9938 123.2589 61.3632 32.1873 175.9827 20 I 3.9157 8.6620 129.6940 61.9239 37.6641 176.7803 21 G 3.8494 6.9026 105.6961 45.3808 0.0000 170.7097 22 K 5.0338 7.3120 118.4484 54.2407 36.0558 175.9669 23 V 4.0007 8.3911 122.1162 63.1678 31.7925 176.1585 24 K 4.0480 9.4360 130.5482 58.8123 32.9044 175.5069 25 D 4.5972 7.4917 117.1004 53.7357 44.6175 173.1059 26 V 4.4064 9.0203 120.3870 61.6383 34.0280 175.6288 27 E 4.1905 9.0269 129.1398 56.4359 30.4581 176.4685 28 V 4.7014 8.1669 123.1237 60.8895 34.5755 174.3495 29 D 4.5516 9.3160 128.1557 53.4414 41.7363 176.1552 30 I 3.8422 8.5138 120.5454 63.9022 38.3132 176.9908 31 E 3.9257 8.2679 119.8986 57.9443 29.0624 178.0012 32 S 4.0919 6.5064 121.6905 59.7355 63.8570 175.6434 33 Q 3.4356 7.8452 120.3029 56.9389 28.0096 172.6045 34 A 4.7302 7.1289 116.4203 49.4382 21.4734 177.2369 35 I 4.1215 7.7579 120.3959 61.3628 37.9771 175.9146 36 E 4.7891 8.4280 121.9542 56.0310 32.2244 175.0492 37 S 5.2207 7.7179 110.7777 57.8488 65.8574 174.8236 38 L 4.9697 8.8684 121.8926 53.4094 44.2231 175.9735 39 V 4.6549 8.3094 116.2652 59.9777 33.4900 175.5107 40 L 5.0066 9.5510 127.3882 53.6346 44.0999 175.8617 41 G 4.2911 8.8967 107.7706 44.7873 0.0000 173.7552 42 K 4.1349 8.9183 125.1532 58.6652 31.5340 176.7353 43 G 3.5662 7.6636 111.0844 45.4370 0.0000 174.2941 44 G 3.9658 7.7605 105.5247 45.3560 0.0000 173.1128 *54 G 3.9257 7.9077 106.5244 45.3025 0.0000 171.9588 55 E 5.2652 8.1590 121.1565 54.6903 31.8387 174.9209 56 T 4.5984 8.6592 122.5194 61.8500 71.7730 173.0111 57 I 4.6915 8.5018 127.6112 60.0214 38.4713 175.0773 58 V 4.3240 8.5911 128.7872 60.1086 33.6170 173.2915 59 P 4.7186 0.0000 0.0000 63.3344 31.8180 177.0004 60 Y 4.0592 8.9691 125.1443 60.2746 38.9308 177.1395 61 E 4.2950 8.2180 116.8380 57.7435 29.8480 176.7993 62 M 4.1262 8.0183 119.7165 56.8108 33.0794 176.4107 63 V 3.5960 7.0381 118.1774 63.2885 31.9313 175.0302 64 K 4.2356 9.3661 129.4198 57.7495 33.0813 176.6061 65 K 4.5925 7.4484 115.8534 54.7889 36.0211 175.5039 66 I 4.8963 8.2501 121.5307 59.8360 40.2221 175.0299 67 G 4.2835 8.4458 117.5353 45.2198 0.0000 172.2552 68 D 4.4318 9.3623 122.9189 56.3704 40.8251 175.8380 69 K 4.7105 7.7977 116.3368 54.5641 36.4508 174.9350 70 I 4.7201 8.5238 122.3375 59.8512 39.2836 174.9417 71 L 5.0117 8.8371 128.1371 53.0717 43.2593 176.4748 72 L 4.6732 8.8396 125.1566 54.0399 42.7597 176.9327 73 K 4.3225 8.5734 121.1231 55.9405 34.5264 176.7815 74 G 3.9575 9.1971 111.4118 43.8691 0.0000 172.9746 75 P 4.3243 0.0000 0.0000 64.6433 31.4422 176.9356 76 E 4.4104 8.0385 114.6384 56.1071 30.4547 175.6444 77 E 4.2035 7.7040 124.3265 56.7155 29.6207 175.7513 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 H 8.44 4.80 0.00 3.18 3.36 0.00 5.61 0.00 0.00 0.00 0.00 6.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 8.05 4.54 0.00 2.01 1.89 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.64 0.00 2 R 9.59 4.23 0.00 2.00 1.89 0.00 3.37 0.00 0.00 3.17 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 3 I 8.42 3.62 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 1.29 0.72 0.91 0.00 0.00 4 V 7.39 3.59 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 0.80 0.00 0.00 0.93 0.00 0.00 5 E 8.07 4.10 0.00 2.00 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 2.32 2.34 0.00 6 E 7.90 4.50 0.00 2.20 1.76 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 2.21 2.20 0.00 7 M 7.31 4.49 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.52 0.00 8 V 8.29 4.34 2.45 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 0.98 0.00 0.00 0.97 0.00 0.00 9 G 8.99 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 10 K 7.32 4.35 0.00 1.84 1.69 0.00 1.65 0.00 0.00 1.79 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.52 7.81 11 E 8.77 4.71 0.00 1.97 1.84 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 2.40 2.31 0.00 12 V 8.91 4.73 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 1.04 0.00 0.00 0.93 0.00 0.00 13 L 9.25 5.84 0.00 1.55 1.60 0.91 0.95 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 14 D 8.41 4.75 0.00 2.89 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.50 4.25 0.00 4.01 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 16 S 8.21 4.53 0.00 4.17 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 17 A 7.67 3.70 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 18 K 8.36 4.30 0.00 1.78 2.02 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.36 7.81 19 V 7.99 4.59 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 0.91 0.00 0.00 0.93 0.00 0.00 20 I 8.66 3.92 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 1.23 0.64 0.91 0.00 0.00 21 G 6.90 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 0.00 0.00 0.00 22 K 7.31 5.03 0.00 1.69 1.71 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.35 7.81 23 V 8.39 4.00 2.17 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 1.01 0.00 0.00 0.99 0.00 0.00 24 K 9.44 4.05 0.00 1.77 1.98 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.38 7.81 25 D 7.49 4.60 0.00 2.75 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 26 V 9.02 4.41 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 0.81 0.00 0.00 0.95 0.00 0.00 27 E 9.03 4.19 0.00 1.99 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 2.33 2.27 0.00 28 V 8.17 4.70 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 0.80 0.00 0.00 0.91 0.00 0.00 29 D 9.32 4.55 0.00 2.81 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 30 I 8.51 3.84 1.86 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 1.41 0.57 0.90 0.00 0.00 31 E 8.27 3.93 0.00 2.22 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 2.39 2.25 0.00 32 S 6.51 4.09 0.00 3.95 4.12 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 33 Q 7.85 3.44 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.75 0.00 0.00 0.00 0.00 0.00 2.25 2.41 0.00 34 A 7.13 4.73 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 35 I 7.76 4.12 1.23 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.33 0.51 0.00 0.00 36 E 8.43 4.79 0.00 2.01 1.85 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 2.21 2.24 0.00 37 S 7.72 5.22 0.00 3.99 3.93 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 38 L 8.87 4.97 0.00 1.65 1.64 1.24 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 39 V 8.31 4.65 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 0.76 0.00 0.00 1.06 0.00 0.00 40 L 9.55 5.01 0.00 1.50 1.68 0.92 0.67 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 41 G 8.90 4.29 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 0.00 42 K 8.92 4.13 0.00 2.06 1.80 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.54 7.81 43 G 7.66 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 44 G 7.76 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 0.00 0.00 0.00 *54 G 7.91 3.93 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 0.00 0.00 0.00 55 E 8.16 5.27 0.00 1.97 1.83 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 2.20 2.31 0.00 56 T 8.66 4.60 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 1.21 0.00 0.00 57 I 8.50 4.69 1.88 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 1.24 0.55 0.93 0.00 0.00 58 V 8.59 4.32 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 0.84 0.00 0.00 0.93 0.00 0.00 59 P 0.00 4.72 0.00 2.12 2.19 0.00 3.66 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 60 Y 8.97 4.06 0.00 3.06 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 61 E 8.22 4.29 0.00 1.99 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 2.35 2.43 0.00 62 M 8.02 4.13 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.47 0.00 63 V 7.04 3.60 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 0.53 0.00 0.00 0.65 0.00 0.00 64 K 9.37 4.24 0.00 1.70 1.93 0.00 1.79 0.00 0.00 1.68 0.00 0.00 3.19 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.36 7.81 65 K 7.45 4.59 0.00 1.73 1.59 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.38 7.81 66 I 8.25 4.90 1.89 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 1.33 0.56 0.94 0.00 0.00 67 G 8.45 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 0.00 0.00 0.00 0.00 68 D 9.36 4.43 0.00 2.68 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 K 7.80 4.71 0.00 1.71 1.68 0.00 1.52 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.48 7.81 70 I 8.52 4.72 1.86 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 1.23 0.65 0.91 0.00 0.00 71 L 8.84 5.01 0.00 1.52 1.55 0.91 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.84 4.67 0.00 1.56 1.55 0.90 0.83 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 73 K 8.57 4.32 0.00 1.72 1.77 0.00 1.57 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.56 1.36 7.81 74 G 9.20 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 75 P 0.00 4.32 0.00 2.18 2.19 0.00 3.74 0.00 0.00 3.70 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 76 E 8.04 4.41 0.00 2.08 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 2.19 2.25 0.00 77 E 7.70 4.20 0.00 2.16 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 2.27 2.23 0.00 * Residues marked with a * may have inaccurate shift predictions.