NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.2203 8.0249 114.2694 60.6208 38.2902 174.4108 4 K 4.3482 7.8681 123.6135 54.8398 34.3392 171.8692 5 V 4.3214 8.3024 120.8128 61.8595 34.3423 173.1187 6 R 4.1789 8.6913 124.7508 57.9404 31.7787 175.9034 7 E 3.5735 8.4298 114.6132 57.1121 26.3567 174.5598 8 N 4.2187 8.4570 120.9245 53.5755 39.2101 170.5096 9 E 3.5797 8.5920 127.9074 54.6760 30.5032 172.2394 10 P 3.9403 0.0000 0.0000 62.5549 31.9894 175.3790 11 F 4.7476 8.4829 118.8845 56.1971 39.7442 172.8398 12 D 4.4311 8.3931 121.0279 55.0520 39.3684 173.4389 13 V 4.0892 7.9691 116.7462 60.0907 32.6454 175.4876 14 A 3.7474 8.2438 126.6738 53.1161 18.5684 177.4874 15 L 3.6426 7.6147 115.4582 55.9473 40.7380 175.9568 16 R 4.2657 7.9452 115.0538 56.9133 30.9568 178.7677 17 R 3.9269 8.2336 118.1379 59.7189 30.0576 178.0683 18 F 4.4256 8.3377 119.3374 61.3776 39.1946 176.5757 19 K 3.8500 7.6248 118.0836 58.8939 32.1369 177.0211 20 R 4.7636 7.5829 112.7707 54.7163 31.9124 176.3248 21 S 4.6395 8.2672 112.8156 58.0515 62.0076 173.5007 22 C 5.1722 7.2246 122.5312 57.8409 32.3527 173.2436 23 E 4.5527 6.6842 121.2419 55.3623 32.8875 174.8469 24 K 3.6303 8.4381 123.9852 57.9513 32.0858 179.3436 25 A 4.2241 8.7573 115.8349 53.4361 18.4008 177.5524 26 G 4.3482 8.9594 112.8193 46.2060 0.0000 176.3792 27 V 3.4739 7.5319 117.1689 63.8075 32.3408 175.6607 28 L 4.4613 7.9571 118.8947 56.4657 43.7177 177.9444 29 A 4.1904 8.1752 118.3114 55.3414 18.0342 178.6398 30 E 4.0856 7.5788 116.6791 58.6537 29.8746 178.1026 31 V 3.8352 7.9591 116.3192 63.4889 31.8790 177.0891 32 R 3.9974 7.9475 117.3155 58.8616 30.0737 175.3397 33 R 4.5700 7.4001 115.4397 53.2485 33.1314 174.6698 34 R 4.0268 8.3303 115.6582 56.2939 30.0461 178.2694 35 E 3.8675 8.1303 117.8869 55.9873 29.1003 176.7830 36 F 4.7560 7.0813 116.6861 60.4600 41.8218 176.3551 37 Y 4.0021 8.0182 121.0349 58.7980 36.2075 170.5021 38 E 4.6132 7.8752 115.8192 56.6126 32.0806 177.1524 39 K 3.6659 8.1312 118.1926 58.7231 32.6132 177.4522 40 P 3.8218 0.0000 0.0000 65.8116 31.4441 178.5202 41 T 3.4985 7.0630 108.7267 63.0224 69.4129 173.8238 42 T 4.1506 7.4883 109.7289 61.1589 70.5549 175.6878 43 E 3.7539 5.9000 121.8232 58.6305 31.2840 178.2294 44 R 4.1188 7.8202 116.7981 58.4921 30.6845 178.1266 45 K 4.4239 8.4868 115.9769 57.2190 32.3734 178.3434 46 R 4.4888 7.6598 117.3712 56.0926 31.3839 177.1841 47 A 4.1195 7.5866 120.1594 54.2667 18.2539 179.6520 48 K 3.8199 7.9419 117.3627 59.8760 32.8448 178.7265 49 A 4.1485 7.8032 119.8368 53.3684 18.5509 178.3429 50 S 4.4240 7.7155 110.8618 60.0660 63.2988 175.6430 51 A 4.1400 8.4823 122.6469 54.2827 18.1334 179.3945 52 V 3.7041 7.7085 117.3511 63.9276 31.2307 176.1679 53 K 4.1275 7.8493 124.5793 56.4043 32.3845 175.2757 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 3 I 8.02 4.22 1.80 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.96 0.30 0.00 0.00 4 K 7.87 4.35 0.00 1.88 1.81 0.00 1.65 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.60 7.81 5 V 8.30 4.32 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 0.86 0.00 0.00 1.02 0.00 0.00 6 R 8.69 4.18 0.00 1.78 1.89 0.00 3.43 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 7 E 8.43 3.57 0.00 2.34 2.46 0.00 0.00 0.00 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 2.40 0.00 8 N 8.46 4.22 0.00 2.72 2.77 0.00 0.00 7.12 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 9 E 8.59 3.58 0.00 2.06 1.98 0.00 0.00 0.00 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 2.39 0.00 10 P 0.00 3.94 0.00 2.10 1.88 0.00 3.75 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.86 0.00 11 F 8.48 4.75 0.00 2.99 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 8.39 4.43 0.00 2.81 2.76 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 0.00 0.00 0.00 13 V 7.97 4.09 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 0.41 0.00 0.00 0.83 0.00 0.00 14 A 8.24 3.75 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 15 L 7.61 3.64 0.00 1.78 1.77 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.95 4.27 0.00 1.98 1.96 0.00 3.28 0.00 0.00 3.36 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 17 R 8.23 3.93 0.00 1.88 2.06 0.00 3.31 0.00 0.00 3.28 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.68 0.00 18 F 8.34 4.43 0.00 2.98 3.10 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 0.00 0.00 0.00 0.00 19 K 7.62 3.85 0.00 1.86 1.88 0.00 1.66 0.00 0.00 1.73 0.00 0.00 3.14 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.53 7.81 20 R 7.58 4.76 0.00 1.91 1.86 0.00 3.18 0.00 0.00 3.19 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.46 0.00 21 S 8.27 4.64 0.00 3.97 4.04 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 22 C 7.22 5.17 0.00 2.97 2.94 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 23 E 6.68 4.55 0.00 1.83 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 24 K 8.44 3.63 0.00 2.07 0.80 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.34 7.81 25 A 8.76 4.22 1.25 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 0.00 0.00 0.00 26 G 8.96 4.35 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 0.00 27 V 7.53 3.47 2.19 0.00 0.00 0.00 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 1.05 0.00 0.00 28 L 7.96 4.46 0.00 1.68 1.73 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.18 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 30 E 7.58 4.09 0.00 1.89 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 0.00 2.26 2.53 0.00 31 V 7.96 3.84 2.03 0.00 0.00 0.00 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 0.92 0.00 0.00 32 R 7.95 4.00 0.00 1.92 1.93 0.00 3.23 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 33 R 7.40 4.57 0.00 1.75 1.76 0.00 3.30 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 34 R 8.33 4.03 0.00 1.95 2.02 0.00 2.98 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 35 E 8.13 3.87 0.00 1.16 1.12 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 2.08 2.26 0.00 36 F 7.08 4.76 0.00 2.89 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 37 Y 8.02 4.00 0.00 3.21 3.11 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 38 E 7.88 4.61 0.00 2.06 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 2.30 2.39 0.00 39 K 8.13 3.67 0.00 1.94 1.75 0.00 1.94 0.00 0.00 1.84 0.00 0.00 3.54 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.53 1.53 7.81 40 P 0.00 3.82 0.00 2.13 2.13 0.00 3.73 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.00 0.00 41 T 7.06 3.50 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 1.26 0.00 0.00 42 T 7.49 4.15 4.20 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 1.22 0.00 0.00 43 E 5.90 3.75 0.00 1.85 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 2.24 2.30 0.00 44 R 7.82 4.12 0.00 1.62 1.81 0.00 2.85 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.47 0.00 45 K 8.49 4.42 0.00 1.82 1.79 0.00 1.63 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.47 7.81 46 R 7.66 4.49 0.00 1.88 1.89 0.00 3.10 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 47 A 7.59 4.12 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 48 K 7.94 3.82 0.00 2.03 2.06 0.00 1.39 0.00 0.00 1.81 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.55 7.81 49 A 7.80 4.15 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 50 S 7.72 4.42 0.00 3.87 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 51 A 8.48 4.14 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 52 V 7.71 3.70 2.20 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 0.79 0.00 0.00 0.93 0.00 0.00 53 K 7.85 4.13 0.00 1.68 1.64 0.00 1.71 0.00 0.00 1.74 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.38 7.81