NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 T 4.3010 8.1631 112.9177 58.9308 70.5876 174.8016 9 G 3.8048 9.4034 107.4108 44.6402 0.0000 171.9487 10 T 4.4644 8.2826 120.8258 61.4099 71.3249 172.3736 11 S 4.2033 8.5787 121.6584 58.1912 63.2559 173.6718 12 E 4.2376 8.3322 125.6889 54.3551 30.3929 176.1284 *14 A 4.2079 8.3304 125.8776 51.3199 20.7161 177.3893 15 P 3.5681 0.0000 0.0000 65.5059 30.9989 178.3795 16 A 3.9118 7.8799 120.5209 54.9833 18.2801 179.6032 17 L 3.9370 7.7905 116.9897 57.9982 41.7268 179.7077 18 V 3.7937 8.1372 118.0471 66.0201 31.4759 177.9349 19 A 4.0254 8.4194 120.5066 55.1937 18.2545 179.4803 20 A 3.9542 8.3088 119.4677 54.9901 18.1474 178.8939 21 F 4.4231 7.9983 113.7775 57.9741 38.9413 176.4959 22 G 3.9402 8.0495 109.4634 44.8818 0.0000 175.0143 23 G 4.1245 8.7329 105.3475 44.8667 0.0000 174.9171 24 K 3.8792 8.7016 118.4154 59.3737 32.0809 179.1409 25 E 4.1110 8.1323 114.4286 57.8933 29.9151 176.6662 26 N 4.6130 8.3542 118.0213 53.7695 39.6992 173.8098 27 I 4.6680 7.3980 119.6670 60.6249 38.0556 175.2190 28 T 4.5302 8.3311 115.4279 62.0255 70.7255 174.1060 29 N 4.8502 7.6722 119.0006 52.4685 42.5002 172.8276 30 L 5.1872 8.4104 124.2315 53.0062 44.8761 175.3553 31 D 4.8705 9.0115 122.0502 52.7527 45.1580 173.7054 32 A 5.1728 8.4959 124.8568 49.6631 22.2240 175.6648 33 C 4.7252 8.8873 117.3761 60.2689 28.0246 175.9265 34 I 4.1889 8.5596 126.0946 62.9983 38.5743 175.7799 35 T 4.8199 7.8379 107.7026 61.0490 71.1752 174.0019 36 R 5.1831 8.0364 120.8503 54.2241 34.3364 174.1848 37 L 4.9374 9.3502 126.7608 54.1223 44.6912 175.8002 38 R 5.0702 9.5084 128.1113 55.1427 32.0869 171.4544 39 V 4.6228 8.6229 125.3804 60.0459 34.0766 174.6911 40 S 4.8333 8.7461 124.8212 58.2689 63.9944 173.8928 41 V 5.0032 8.5025 116.7276 59.6287 34.6704 175.8208 42 A 4.2009 8.9207 124.8958 54.2783 19.5460 177.5312 43 D 4.4658 7.9121 114.4853 52.5659 43.2499 175.7884 44 V 3.7287 8.5043 128.1216 65.7275 31.8023 177.9892 45 S 4.2681 8.3986 113.6781 60.2723 62.8071 175.0323 46 K 4.2356 7.7426 119.0851 56.8792 32.3612 176.8315 47 V 4.0025 7.5882 120.1856 62.2324 32.1165 175.5679 48 D 4.6254 8.8217 128.1793 52.7445 40.2104 176.3848 49 Q 3.9221 8.4596 124.9385 58.6014 28.9024 178.1834 50 A 4.0845 8.0533 121.3893 55.0310 18.5114 179.7393 51 G 3.5444 8.4782 104.3203 47.8851 0.0000 175.9694 52 L 4.0218 7.8649 121.3189 57.4789 41.5632 179.7487 53 K 4.1114 7.7615 119.3410 58.9055 31.7641 179.5822 54 K 3.9917 7.9291 117.6573 59.1595 32.0344 178.6055 55 L 4.3721 7.5812 116.9694 54.8564 41.8965 176.6803 56 G 3.7954 7.8467 106.6386 44.9553 0.0000 174.3116 57 A 3.2161 7.8087 124.1201 51.5479 18.5447 178.7491 58 A 3.9726 9.2142 125.6285 54.5991 19.1533 177.6788 59 G 3.9894 7.2340 99.6687 45.7542 0.0000 172.8187 60 V 4.9515 8.3511 120.1526 60.8524 34.6487 174.7301 61 V 4.4405 9.0577 127.5313 61.0371 34.6055 174.1624 62 V 4.5150 8.5249 127.7171 61.9731 32.4419 175.2130 63 A 4.4158 8.5387 130.7276 50.9755 21.2502 176.5983 64 G 3.8267 8.5073 114.3215 47.3070 0.0000 173.4875 65 S 4.6150 8.5223 114.4919 58.8062 63.7902 173.7992 66 G 4.5919 8.1496 106.9144 45.4410 0.0000 172.4386 67 V 5.0554 8.8059 119.5023 61.0998 34.9781 174.0232 68 Q 5.2610 9.4953 126.9846 54.1041 31.5443 174.3538 69 A 5.0628 9.3353 125.6099 50.1992 22.2546 175.2428 70 I 4.8610 8.6333 124.5827 59.7121 37.6150 176.0628 71 F 4.7633 8.6313 124.8371 56.1924 40.2785 177.4169 72 G 3.9009 8.0774 110.1297 46.6714 0.0000 176.2616 73 T 4.1769 8.5965 110.8167 63.7733 69.2097 176.3135 74 K 4.1880 8.0090 122.1803 58.2647 32.0287 178.8766 75 S 4.1544 7.9812 116.4326 62.0058 62.9146 176.1945 76 D 4.3100 8.1650 119.6867 57.4948 40.9235 177.7860 77 N 4.3120 8.0467 116.9579 56.6303 38.8555 176.7622 78 L 3.9057 7.7667 119.4746 57.3728 41.7088 178.9515 79 K 3.9915 7.9450 118.8241 60.0080 32.4702 178.5522 80 T 4.0730 7.7530 115.5201 66.5212 68.2980 177.2945 81 E 4.1489 8.0265 118.8563 56.6197 29.3169 178.5639 *83 D 4.4568 8.2314 122.6160 55.0385 43.2337 177.7742 84 E 3.9894 8.2905 118.2168 61.4539 29.3916 180.3341 85 Y 4.3704 8.0371 119.6350 60.5450 38.9169 177.8139 86 I 3.4278 7.5357 119.4432 64.0973 37.3166 178.3100 87 R 4.0405 8.0517 120.6230 59.8284 30.1840 177.1036 88 N 4.5339 8.1351 118.9656 52.4518 37.6975 176.7939 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 8 T 8.16 4.30 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 9 G 9.40 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 10 T 8.28 4.46 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 1.22 0.00 0.00 11 S 8.58 4.20 0.00 3.80 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 12 E 8.33 4.24 0.00 1.92 1.73 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 2.39 2.16 0.00 *14 A 8.33 4.21 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 15 P 0.00 3.57 0.00 1.96 1.29 0.00 3.38 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.72 0.00 16 A 7.88 3.91 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 17 L 7.79 3.94 0.00 1.90 1.93 0.72 0.83 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 18 V 8.14 3.79 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 1.24 0.00 0.00 19 A 8.42 4.03 1.42 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 0.00 0.00 20 A 8.31 3.95 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 21 F 8.00 4.42 0.00 3.13 3.07 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 0.00 0.00 0.00 0.00 22 G 8.05 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 0.00 0.00 0.00 23 G 8.73 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 0.00 0.00 0.00 24 K 8.70 3.88 0.00 1.81 1.84 0.00 1.47 0.00 0.00 1.48 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.43 7.81 25 E 8.13 4.11 0.00 2.08 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 2.29 2.31 0.00 26 N 8.35 4.61 0.00 2.94 2.97 0.00 0.00 6.97 7.81 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 27 I 7.40 4.67 1.86 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 1.33 0.90 0.83 0.00 0.00 28 T 8.33 4.53 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 1.20 0.00 0.00 29 N 7.67 4.85 0.00 2.73 2.60 0.00 0.00 6.99 6.66 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 30 L 8.41 5.19 0.00 1.47 1.46 0.88 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 31 D 9.01 4.87 0.00 2.69 2.41 0.00 0.00 0.00 0.00 0.00 0.00 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 8.50 5.17 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 33 C 8.89 4.73 0.00 2.97 2.38 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 34 I 8.56 4.19 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 1.49 0.83 0.93 0.00 0.00 35 T 7.84 4.82 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 36 R 8.04 5.18 0.00 1.78 1.87 0.00 3.25 0.00 0.00 3.28 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 37 L 9.35 4.94 0.00 1.91 1.96 0.90 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 38 R 9.51 5.07 0.00 1.48 1.78 0.00 3.26 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.41 0.00 39 V 8.62 4.62 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 40 S 8.75 4.83 0.00 3.88 3.74 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 41 V 8.50 5.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 1.01 0.00 0.00 42 A 8.92 4.20 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 43 D 7.91 4.47 0.00 2.64 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 V 8.50 3.73 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 0.99 0.00 0.00 0.97 0.00 0.00 45 S 8.40 4.27 0.00 4.02 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 46 K 7.74 4.24 0.00 2.15 1.93 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.54 7.81 47 V 7.59 4.00 2.23 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 0.72 0.00 0.00 1.09 0.00 0.00 48 D 8.82 4.63 0.00 2.66 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 49 Q 8.46 3.92 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 50 A 8.05 4.08 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 51 G 8.48 3.54 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 0.00 0.00 0.00 52 L 7.86 4.02 0.00 1.75 1.62 0.43 0.18 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 53 K 7.76 4.11 0.00 1.94 1.79 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.40 7.81 54 K 7.93 3.99 0.00 1.91 1.87 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.69 1.61 7.81 55 L 7.58 4.37 0.00 1.99 1.86 0.92 0.98 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 G 7.85 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 57 A 7.81 3.22 0.63 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 0.00 0.00 58 A 9.21 3.97 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 59 G 7.23 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 60 V 8.35 4.95 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 0.82 0.00 0.00 0.83 0.00 0.00 61 V 9.06 4.44 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 0.82 0.00 0.00 0.93 0.00 0.00 62 V 8.52 4.51 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 0.89 0.00 0.00 0.96 0.00 0.00 63 A 8.54 4.42 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 64 G 8.51 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 0.00 0.00 0.00 65 S 8.52 4.62 0.00 4.02 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 66 G 8.15 4.59 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 0.00 0.00 0.00 67 V 8.81 5.06 2.35 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 1.29 0.00 0.00 1.05 0.00 0.00 68 Q 9.50 5.26 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.53 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 69 A 9.34 5.06 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.63 4.86 1.79 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 1.22 1.88 0.96 0.00 0.00 71 F 8.63 4.76 0.00 3.31 3.01 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 0.00 0.00 0.00 72 G 8.08 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 0.00 0.00 0.00 73 T 8.60 4.18 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 74 K 8.01 4.19 0.00 1.99 1.89 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.53 7.81 75 S 7.98 4.15 0.00 3.97 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 0.00 76 D 8.16 4.31 0.00 2.79 2.68 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 0.00 0.00 0.00 0.00 77 N 8.05 4.31 0.00 2.79 2.87 0.00 0.00 7.21 6.66 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 78 L 7.77 3.91 0.00 1.61 1.49 0.12 0.59 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 79 K 7.94 3.99 0.00 1.87 1.99 0.00 1.93 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.46 7.81 80 T 7.75 4.07 4.36 0.00 0.00 0.00 0.00 0.00 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 81 E 8.03 4.15 0.00 2.15 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 2.32 2.48 0.00 *83 D 8.23 4.46 0.00 2.76 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 84 E 8.29 3.99 0.00 2.03 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 2.25 2.20 0.00 85 Y 8.04 4.37 0.00 2.91 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 86 I 7.54 3.43 1.93 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 1.55 0.65 0.82 0.00 0.00 87 R 8.05 4.04 0.00 1.74 1.94 0.00 3.29 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.89 0.00 88 N 8.14 4.53 0.00 2.73 2.58 0.00 0.00 7.03 8.05 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 * Residues marked with a * may have inaccurate shift predictions.