NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3258 8.2649 123.5820 51.7371 20.5770 176.0532 2 V 4.2434 7.2066 105.3348 57.7302 35.8886 172.4476 3 Q 3.9183 8.8242 118.6269 57.5123 28.9843 176.1846 4 Q 4.2137 8.6061 123.1830 55.4796 29.1974 174.5661 5 N 4.3200 7.3695 110.2278 52.6028 42.5148 174.0480 6 K 3.9283 8.8543 127.5475 55.8564 32.6453 174.5874 7 P 4.4956 0.0000 0.0000 62.8994 32.3284 175.9779 8 T 4.5441 7.9884 110.3809 61.3572 70.8237 174.6050 9 R 4.4399 8.3451 114.4687 57.7372 30.8134 178.1261 10 S 4.0552 7.8735 113.7701 61.2381 62.6011 175.7882 11 K 3.9790 8.7467 122.3515 59.0251 31.6555 178.7545 12 R 4.0671 7.9036 118.3247 58.9248 30.2391 178.3210 13 G 3.6878 7.9267 105.6187 48.0360 0.0000 175.3530 14 M 4.0186 8.1402 122.1956 58.2494 31.8758 179.0152 15 R 4.0237 7.9616 116.4762 58.4570 30.4392 177.5774 16 R 4.7315 8.3115 118.1497 55.5597 30.4430 177.9581 17 S 4.0766 7.7008 114.7597 62.0020 62.5071 175.9133 18 H 4.4014 8.0991 115.6156 56.7560 28.7836 175.1042 19 D 4.7194 8.9362 120.9707 54.0532 40.6174 175.8782 20 A 4.2029 7.3903 122.8343 51.9902 19.4326 180.1018 21 L 4.4634 8.1741 126.1466 54.7354 41.7636 176.1774 22 T 4.4915 8.0064 117.1233 61.7888 70.2595 173.8923 23 A 4.4112 8.2271 128.5281 51.5865 20.2103 176.8259 24 V 4.0738 8.1161 114.9224 62.3977 33.6301 175.5413 25 T 3.1336 8.1942 114.1045 65.0745 64.7846 171.1050 26 S 3.6690 7.9250 118.6332 58.2747 62.7914 171.7983 27 L 4.9779 7.9298 118.8422 53.3048 45.8258 177.1198 28 S 4.8127 8.2323 115.8261 57.8426 66.2110 172.8148 29 V 4.9092 7.9738 117.7754 60.7688 33.8025 173.9673 30 D 4.4855 8.8601 124.5101 54.2497 41.6153 176.1861 31 K 3.9392 8.7729 125.4454 59.8656 31.6764 177.6380 32 T 3.7448 7.4698 113.4554 66.8703 69.6083 178.1646 33 S 4.6384 7.1259 130.4092 58.5372 62.0920 176.5957 34 G 4.1097 8.2353 115.2994 46.2900 0.0000 171.4341 35 E 4.4876 8.1932 120.0775 54.7778 31.3065 175.9212 36 K 5.4595 8.9958 124.3459 56.0772 33.3596 175.6430 37 H 5.1858 8.7929 120.7358 53.0092 31.8828 173.1368 38 L 4.1256 8.8083 119.6007 55.3147 42.0707 177.2978 39 R 3.9105 8.2625 122.1005 57.3228 30.6508 175.6729 40 H 4.3131 10.0899 120.4146 56.6072 25.4524 173.8777 41 H 4.7764 8.2591 113.4942 55.1307 30.8991 171.8320 42 I 4.1579 7.7737 120.1726 59.9477 38.0472 176.2618 43 T 4.1755 8.1448 114.7688 60.9972 69.5078 175.0847 44 A 4.0444 8.4641 123.4334 54.3456 18.4838 177.9368 45 D 4.9610 7.7286 113.0099 53.3004 41.6112 177.1496 46 G 3.7366 8.1159 108.3085 45.5939 0.0000 173.2643 47 Y 4.8592 7.6497 117.2255 57.2238 38.6418 173.6873 48 Y 5.3054 7.9415 120.9254 57.8966 44.4189 176.0572 49 R 4.5982 7.7945 116.7209 55.9816 30.5638 175.1107 50 G 4.0923 9.4879 111.7464 46.8465 0.0000 171.1334 51 R 4.6266 7.7317 118.1646 53.7812 33.4981 174.1115 52 K 4.4257 8.7006 122.9140 54.8633 34.5569 174.8960 53 V 4.2359 8.2409 119.9772 61.4150 32.6595 178.8971 54 I 3.3585 8.2155 114.6901 62.6031 39.3420 174.7874 55 A 4.3517 8.8700 128.6474 52.8212 21.3182 177.4727 56 K 4.1214 7.4669 119.5156 56.8890 32.1054 176.9909 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 1 A 8.26 4.33 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 2 V 7.21 4.24 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 0.77 0.00 0.00 0.93 0.00 0.00 3 Q 8.82 3.92 0.00 2.23 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.52 7.04 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 4 Q 8.61 4.21 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 5 N 7.37 4.32 0.00 2.78 2.62 0.00 0.00 7.02 6.56 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 6 K 8.85 3.93 0.00 1.75 1.71 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.47 7.81 7 P 0.00 4.50 0.00 2.08 1.99 0.00 3.72 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 2.03 2.08 0.00 8 T 7.99 4.54 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 R 8.35 4.44 0.00 2.03 2.19 0.00 2.96 0.00 0.00 3.26 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 10 S 7.87 4.06 0.00 3.91 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.75 3.98 0.00 1.86 1.79 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.49 7.81 12 R 7.90 4.07 0.00 1.96 2.06 0.00 3.29 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 13 G 7.93 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.14 4.02 0.00 2.07 2.29 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.58 0.00 15 R 7.96 4.02 0.00 1.87 2.20 0.00 3.24 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 16 R 8.31 4.73 0.00 2.04 1.94 0.00 3.35 0.00 0.00 3.32 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 17 S 7.70 4.08 0.00 4.04 4.17 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 0.00 0.00 0.00 0.00 18 H 8.10 4.40 0.00 3.16 3.40 0.00 5.69 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.94 4.72 0.00 2.81 2.67 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 0.00 0.00 0.00 0.00 20 A 7.39 4.20 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 21 L 8.17 4.46 0.00 1.65 1.53 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.01 4.49 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 23 A 8.23 4.41 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 24 V 8.12 4.07 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 0.87 0.00 0.00 0.93 0.00 0.00 25 T 8.19 3.13 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 26 S 7.93 3.67 0.00 3.99 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 27 L 7.93 4.98 0.00 1.48 1.69 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.23 4.81 0.00 3.92 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 29 V 7.97 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 0.96 0.00 0.00 0.97 0.00 0.00 30 D 8.86 4.49 0.00 2.69 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.77 3.94 0.00 1.76 1.85 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.45 7.81 32 T 7.47 3.74 4.08 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 1.10 0.00 0.00 33 S 7.13 4.64 0.00 3.58 3.24 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 34 G 8.24 4.11 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 0.00 0.00 0.00 35 E 8.19 4.49 0.00 1.95 1.90 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 2.36 2.25 0.00 36 K 9.00 5.46 0.00 1.79 1.88 0.00 1.13 0.00 0.00 2.43 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.30 7.81 37 H 8.79 5.19 0.00 3.39 3.47 0.00 5.49 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 38 L 8.81 4.13 0.00 0.92 1.49 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.26 3.91 0.00 1.74 1.85 0.00 3.12 0.00 0.00 3.87 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 40 H 10.09 4.31 0.00 3.39 3.55 0.00 5.97 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 8.26 4.78 0.00 3.22 3.30 0.00 5.51 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.77 4.16 1.69 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.62 0.81 0.00 0.00 43 T 8.14 4.18 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 1.17 0.00 0.00 44 A 8.46 4.04 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 45 D 7.73 4.96 0.00 3.16 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 8.12 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 0.00 0.00 0.00 47 Y 7.65 4.86 0.00 3.15 3.23 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 48 Y 7.94 5.31 0.00 2.75 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 R 7.79 4.60 0.00 1.83 1.68 0.00 2.21 0.00 0.00 2.91 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.48 0.00 50 G 9.49 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 0.00 0.00 0.00 51 R 7.73 4.63 0.00 2.05 1.86 0.00 3.14 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 52 K 8.70 4.43 0.00 1.78 1.64 0.00 1.58 0.00 0.00 1.45 0.00 0.00 2.76 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.46 0.83 7.81 53 V 8.24 4.24 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 0.72 0.00 0.00 0.90 0.00 0.00 54 I 8.22 3.36 1.81 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 1.17 0.39 0.85 0.00 0.00 55 A 8.87 4.35 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 56 K 7.47 4.12 0.00 1.77 1.71 0.00 1.70 0.00 0.00 1.83 0.00 0.00 3.10 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.36 7.81