NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 P 4.4741 0.0000 0.0000 62.1854 33.4938 176.4588 5 N 4.6833 8.3448 115.1308 53.8278 42.3114 172.7141 6 Y 5.2461 7.7501 111.7293 56.3516 43.3221 174.8923 7 V 4.9475 8.1241 120.7817 59.1774 35.2008 174.0640 *9 H 4.7721 8.5779 116.4850 56.2389 29.9090 173.9142 10 T 4.7497 8.4097 114.5358 61.2431 70.1015 174.4759 11 N 4.7349 8.9909 117.9408 53.3640 39.2174 175.9975 12 D 4.8048 7.3716 116.6894 52.9367 40.3745 176.3104 13 G 3.8962 8.2795 103.1978 47.8308 0.0000 173.8479 14 R 4.7920 7.7897 116.0328 54.4314 35.6861 176.4330 15 S 4.6731 8.6229 115.9467 57.1420 65.9284 173.5094 16 I 4.3866 8.1265 126.3374 59.3699 39.1584 175.2189 17 V 4.3431 8.4615 127.9438 62.5243 32.4651 175.1132 18 T 4.9241 9.3553 118.0819 60.1495 72.1394 172.9895 19 D 4.5491 9.3992 124.3198 55.1065 40.9582 176.3683 20 G 3.9983 8.8882 111.1146 44.1660 0.0000 170.5250 21 K 3.5869 8.1472 119.6871 54.7600 32.6782 174.7174 22 P 4.8305 0.0000 0.0000 63.0569 32.3478 175.2710 23 Q 4.6241 8.7742 117.8092 55.0410 32.3222 173.9357 24 T 4.1734 8.4112 117.9654 63.5810 69.2806 173.8475 25 D 4.4346 8.7615 126.4666 54.0398 41.8939 176.7795 26 N 4.4282 8.8151 123.9323 56.0400 39.0062 175.8981 27 D 4.5915 8.3936 117.0588 56.0760 41.6111 177.3255 28 T 4.2120 8.4570 107.1853 61.0427 70.5362 174.2227 29 G 3.4485 7.6798 109.1318 45.6510 0.0000 174.0725 *31 I 4.0555 7.2512 117.9432 61.1525 39.4298 176.6729 32 S 5.3362 9.2996 122.9982 57.3588 65.4461 172.8366 33 Y 5.0681 8.4710 119.3309 56.4334 42.0562 172.9241 34 K 5.2853 8.8202 118.6906 53.6472 35.3877 176.6761 35 D 4.9820 8.5449 124.0783 52.2910 40.6857 176.7478 36 A 4.1939 8.5361 121.3192 54.8819 18.5545 178.7503 37 N 4.4719 8.4681 111.9051 56.9740 38.8839 175.1855 38 G 3.3651 8.6134 108.1911 44.9094 0.0000 173.5100 39 N 4.4519 8.0271 119.5641 52.8708 39.2684 174.0235 40 K 4.3865 8.3610 121.4436 56.1500 32.9052 176.2765 41 Q 4.6031 8.7948 123.6881 54.1245 32.9391 174.5179 42 Q 5.1257 8.1844 117.9755 54.7207 32.8561 174.3654 43 I 4.7340 8.8624 123.1844 58.8689 41.5611 174.4374 44 N 4.4002 8.8329 127.2958 53.4597 39.5576 175.5115 45 R 3.8771 8.8170 125.5941 59.7785 30.3600 178.3858 46 T 3.7910 8.2252 113.8952 66.2610 68.6872 174.2544 47 D 4.5362 8.3513 119.2895 54.0123 41.4615 175.2035 48 V 4.4840 7.6822 118.8897 61.7805 32.4822 175.1126 49 K 4.1650 9.0699 129.7873 58.7466 32.5146 175.7599 50 E 4.4823 7.4627 114.4944 55.0813 33.2949 174.2762 *52 V 4.1227 8.1065 117.0633 62.1226 32.9597 175.0869 53 A 3.8193 8.4278 123.8413 51.9299 19.2291 176.3583 54 L 4.5580 8.1822 119.8947 52.9492 44.8622 176.1993 55 E 4.5497 8.3527 121.3977 56.2368 29.8340 175.2569 56 N 4.5275 8.6676 114.0618 53.4707 38.7935 174.7378 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 4 P 0.00 4.47 0.00 2.20 2.24 0.00 3.86 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 1.92 2.02 0.00 5 N 8.34 4.68 0.00 2.92 2.86 0.00 0.00 6.71 6.60 0.00 0.00 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 Y 7.75 5.25 0.00 2.86 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 7 V 8.12 4.95 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 1.07 0.00 0.00 0.79 0.00 0.00 *9 H 8.58 4.77 0.00 3.14 3.32 0.00 5.61 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 T 8.41 4.75 4.34 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 0.00 0.00 1.19 0.00 0.00 11 N 8.99 4.73 0.00 2.80 2.90 0.00 0.00 6.90 7.39 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 12 D 7.37 4.80 0.00 2.82 2.73 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 13 G 8.28 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 14 R 7.79 4.79 0.00 1.68 1.76 0.00 3.08 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 15 S 8.62 4.67 0.00 3.70 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 16 I 8.13 4.39 1.68 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 1.23 1.26 0.88 0.00 0.00 17 V 8.46 4.34 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 0.87 0.00 0.00 0.93 0.00 0.00 18 T 9.36 4.92 4.38 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 1.03 0.00 0.00 19 D 9.40 4.55 0.00 2.70 2.80 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 20 G 8.89 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 21 K 8.15 3.59 0.00 1.66 1.62 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.65 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.02 0.35 7.81 22 P 0.00 4.83 0.00 1.84 1.94 0.00 3.20 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.00 0.00 23 Q 8.77 4.62 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.99 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 24 T 8.41 4.17 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 25 D 8.76 4.43 0.00 2.68 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 26 N 8.82 4.43 0.00 2.75 2.87 0.00 0.00 7.07 8.06 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 27 D 8.39 4.59 0.00 2.81 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 28 T 8.46 4.21 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 1.23 0.00 0.00 29 G 7.68 3.45 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 0.00 *31 I 7.25 4.06 2.05 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 1.49 0.95 0.92 0.00 0.00 32 S 9.30 5.34 0.00 3.83 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 33 Y 8.47 5.07 0.00 3.01 3.02 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 34 K 8.82 5.29 0.00 1.74 1.73 0.00 1.93 0.00 0.00 1.84 0.00 0.00 2.89 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.22 7.81 35 D 8.54 4.98 0.00 2.98 2.93 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 36 A 8.54 4.19 1.34 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 0.00 0.00 0.00 0.00 0.00 37 N 8.47 4.47 0.00 2.93 2.88 0.00 0.00 7.00 7.53 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 38 G 8.61 3.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 N 8.03 4.45 0.00 2.98 2.69 0.00 0.00 7.11 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 40 K 8.36 4.39 0.00 1.57 1.67 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.37 7.81 41 Q 8.79 4.60 0.00 0.93 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.74 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 42 Q 8.18 5.13 0.00 1.86 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.71 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 43 I 8.86 4.73 2.06 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 1.14 0.92 1.00 0.00 0.00 44 N 8.83 4.40 0.00 2.77 2.69 0.00 0.00 6.81 7.65 0.00 0.00 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 R 8.82 3.88 0.00 1.88 1.92 0.00 3.24 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 46 T 8.23 3.79 4.30 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 1.21 0.00 0.00 47 D 8.35 4.54 0.00 2.74 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 48 V 7.68 4.48 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 0.79 0.00 0.00 0.88 0.00 0.00 49 K 9.07 4.17 0.00 1.93 1.97 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.41 7.81 50 E 7.46 4.48 0.00 2.00 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 2.22 2.30 0.00 *52 V 8.11 4.12 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 0.79 0.00 0.00 0.92 0.00 0.00 53 A 8.43 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.18 4.56 0.00 1.37 1.53 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.35 4.55 0.00 1.87 1.72 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 2.18 2.22 0.00 56 N 8.67 4.53 0.00 2.73 2.69 0.00 0.00 6.59 7.56 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 * Residues marked with a * may have inaccurate shift predictions.