NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 D 4.6466 8.3229 119.5567 52.9248 42.3839 178.4797 10 E 3.8838 8.4469 121.6965 61.8895 29.8060 179.2764 11 D 4.7000 8.9110 121.0962 57.0701 41.3095 178.7505 12 S 4.2933 8.0495 115.4704 61.6035 62.9923 176.4242 13 L 4.1117 8.0796 124.0306 58.1340 41.3031 180.2188 14 K 3.9166 8.0538 123.2316 59.7964 31.6343 181.0058 15 A 4.0290 7.9650 122.2719 55.0789 18.3155 180.0226 16 V 3.5929 7.9067 116.5293 66.0210 31.3985 178.5179 17 R 3.9812 7.9732 118.1723 59.1778 29.8754 178.9622 18 L 4.0689 7.8883 118.8775 57.7593 41.5367 179.6268 19 I 3.7479 7.9986 119.8761 64.2600 36.9706 178.5514 20 K 4.0942 8.3452 119.4249 59.6416 31.7155 179.1021 21 F 4.1713 8.4323 119.8842 61.0557 39.5248 176.6813 22 L 3.9299 8.1657 120.0802 58.3923 41.9574 178.4898 23 Y 3.9552 8.1309 116.7908 61.1988 37.5887 178.4377 24 Q 4.0366 8.2634 119.9000 59.1413 29.1234 178.2357 25 S 4.1209 7.6594 113.4477 59.1412 64.5830 173.9004 26 N 4.9777 7.4640 121.4080 51.6194 38.0214 172.4613 27 P 4.5223 0.0000 0.0000 61.6301 32.6876 175.3835 28 P 3.4452 0.0000 0.0000 61.8193 31.7974 174.5732 29 P 4.3621 0.0000 0.0000 61.9207 32.1186 175.7492 30 N 4.1733 8.6582 118.6180 53.8741 39.0516 173.3290 31 P 4.3289 0.0000 0.0000 65.0426 31.8425 176.9270 32 E 4.0121 8.4917 117.6914 56.6614 29.8011 175.1540 33 G 3.9175 8.5830 106.3930 43.6883 0.0000 174.3121 34 T 4.0907 8.2476 109.8705 61.2482 70.7888 175.0695 35 R 4.0141 8.6209 121.8035 59.7767 29.9316 178.6888 36 Q 3.9038 7.9829 118.5470 59.1718 29.3094 177.7457 37 A 4.0387 7.8701 121.4230 55.1769 18.3728 179.8693 38 R 3.8989 8.5306 117.1880 59.3057 30.1321 179.2311 39 R 3.9441 8.1332 118.6479 59.3561 30.0614 178.4284 40 N 4.3981 8.1739 116.2987 56.3287 38.5281 177.6672 41 R 3.9843 8.0802 119.5218 59.2366 30.0468 179.1497 42 R 4.0253 8.2727 121.0534 59.9085 30.0632 179.4293 43 R 3.9912 8.1366 120.4228 61.5731 29.5174 180.7753 44 R 4.1213 8.0893 119.2218 58.9987 30.1603 179.0129 45 W 4.0819 8.5531 128.1198 60.4307 30.6565 177.8491 46 R 3.6499 8.6219 118.9834 59.2750 29.4832 178.1432 47 E 3.8058 8.0288 119.0605 59.3146 29.6870 178.9360 48 R 3.7366 7.6454 118.0348 59.1021 30.0531 178.7636 49 Q 3.4733 7.4252 121.5816 59.6268 28.8521 179.1387 50 R 3.8355 7.5026 121.4667 61.4919 29.3788 180.1933 51 Q 4.1031 7.7992 119.0342 59.1182 28.7089 179.4287 52 I 3.4522 7.4300 120.2522 64.6301 36.9763 178.1452 53 H 4.3499 8.2565 118.5788 58.5073 28.5052 177.6289 54 S 4.0951 8.2467 116.9228 61.8150 62.7188 176.4840 55 I 3.6837 7.7238 122.2289 64.6941 36.8243 178.4709 56 S 4.1354 8.3506 116.9845 62.4195 62.9357 176.9641 57 E 4.1078 8.5690 123.0384 60.4150 29.4845 180.9569 58 R 4.1051 8.6347 119.3815 59.5893 29.9431 178.8032 59 I 3.8071 8.0125 119.0240 64.0342 37.1476 177.8021 60 R 4.0654 8.2865 119.1842 59.9961 29.9446 178.2027 61 S 4.3419 7.8815 113.2815 60.6634 64.2612 175.2466 62 T 4.6585 7.0177 115.7212 60.2227 68.2420 173.4243 63 Y 4.0778 7.6084 125.1233 58.3775 38.9188 172.9063 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 9 D 8.32 4.65 0.00 2.62 2.71 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 0.00 0.00 0.00 10 E 8.45 3.88 0.00 2.05 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 2.31 2.03 0.00 11 D 8.91 4.70 0.00 2.72 2.87 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 0.00 0.00 0.00 12 S 8.05 4.29 0.00 4.07 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 13 L 8.08 4.11 0.00 1.89 1.74 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.05 3.92 0.00 1.80 1.83 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.34 7.81 15 A 7.97 4.03 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 16 V 7.91 3.59 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 1.05 0.00 0.00 1.01 0.00 0.00 17 R 7.97 3.98 0.00 2.14 1.97 0.00 3.18 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.96 0.00 18 L 7.89 4.07 0.00 1.83 1.72 0.88 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 19 I 8.00 3.75 2.07 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 1.51 0.76 1.12 0.00 0.00 20 K 8.35 4.09 0.00 2.12 1.95 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.59 7.81 21 F 8.43 4.17 0.00 3.04 3.32 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 22 L 8.17 3.93 0.00 1.90 1.76 0.80 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 23 Y 8.13 3.96 0.00 3.18 2.97 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 24 Q 8.26 4.04 0.00 2.03 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.97 0.00 0.00 0.00 0.00 0.00 2.12 2.32 0.00 25 S 7.66 4.12 0.00 3.85 3.59 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 26 N 7.46 4.98 0.00 2.54 2.70 0.00 0.00 7.18 7.80 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 27 P 0.00 4.52 0.00 2.11 1.99 0.00 3.82 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.24 0.00 28 P 0.00 3.45 0.00 1.78 1.41 0.00 3.66 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.87 0.00 29 P 0.00 4.36 0.00 2.11 2.03 0.00 3.11 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.86 0.00 30 N 8.66 4.17 0.00 2.67 2.77 0.00 0.00 7.07 7.69 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 31 P 0.00 4.33 0.00 2.03 2.03 0.00 3.69 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.01 0.00 32 E 8.49 4.01 0.00 2.24 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 2.34 2.13 0.00 33 G 8.58 3.92 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 0.00 0.00 0.00 34 T 8.25 4.09 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 35 R 8.62 4.01 0.00 1.98 1.99 0.00 3.29 0.00 0.00 3.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.28 0.00 36 Q 7.98 3.90 0.00 2.25 2.07 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 2.42 1.99 0.00 37 A 7.87 4.04 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 38 R 8.53 3.90 0.00 1.81 1.97 0.00 3.30 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.95 0.00 39 R 8.13 3.94 0.00 2.13 2.08 0.00 3.20 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 40 N 8.17 4.40 0.00 2.82 2.86 0.00 0.00 7.00 7.59 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 41 R 8.08 3.98 0.00 1.87 2.00 0.00 3.11 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 42 R 8.27 4.03 0.00 2.00 2.10 0.00 3.11 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 43 R 8.14 3.99 0.00 1.87 1.92 0.00 3.34 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 44 R 8.09 4.12 0.00 2.00 2.06 0.00 3.12 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 45 W 8.55 4.08 0.00 3.42 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.62 3.65 0.00 2.30 2.18 0.00 3.21 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 47 E 8.03 3.81 0.00 2.10 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 0.00 2.26 2.32 0.00 48 R 7.65 3.74 0.00 1.77 1.72 0.00 3.45 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 49 Q 7.43 3.47 0.00 0.96 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.78 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 50 R 7.50 3.84 0.00 1.88 1.93 0.00 3.34 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 51 Q 7.80 4.10 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.53 0.00 52 I 7.43 3.45 1.53 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.48 -0.18 0.00 0.00 53 H 8.26 4.35 0.00 3.25 3.33 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 8.25 4.10 0.00 4.00 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 55 I 7.72 3.68 1.90 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 1.51 0.34 0.84 0.00 0.00 56 S 8.35 4.14 0.00 4.16 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 57 E 8.57 4.11 0.00 1.97 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 2.25 2.19 0.00 58 R 8.63 4.11 0.00 1.96 2.11 0.00 3.12 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 59 I 8.01 3.81 1.92 0.00 0.00 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 1.33 0.87 0.64 0.00 0.00 60 R 8.29 4.07 0.00 1.77 2.17 0.00 3.29 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 61 S 7.88 4.34 0.00 4.08 3.95 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 0.00 0.00 0.00 62 T 7.02 4.66 4.32 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 1.26 0.00 0.00 63 Y 7.61 4.08 0.00 3.05 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00