NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4538 8.3044 120.3538 54.4780 34.6784 174.4953 2 D 4.7819 7.9749 116.9112 50.5705 44.7610 175.3801 3 H 4.3099 9.0304 120.6685 57.7590 30.0224 176.3730 4 S 4.4084 7.6292 113.1612 58.7951 63.1466 175.0980 5 L 4.4289 8.0145 119.2829 56.4714 42.5195 177.8753 6 N 4.4101 7.7927 115.1824 55.7872 39.2229 177.4659 7 S 4.1905 8.3141 114.8073 61.1768 62.5943 175.9450 8 L 4.0130 7.8593 122.7132 58.1927 41.7734 178.3084 9 N 4.3671 7.7113 117.0463 56.8606 38.8835 176.3285 10 N 4.7332 8.3044 118.1153 56.7443 39.1167 176.4372 11 F 3.9707 8.5673 122.2625 61.5406 38.8559 176.8684 12 D 4.4032 8.2898 118.1621 57.3198 40.9596 178.6622 13 F 4.1419 8.1745 115.1666 60.0522 37.5577 177.1004 14 L 3.0260 7.7814 120.5968 56.5081 41.7636 178.4000 15 A 4.2165 7.7656 121.5629 55.5008 17.8598 179.8861 16 R 3.9812 7.5550 113.9421 59.2872 29.4911 178.6692 17 S 4.2208 7.5376 112.5563 60.3406 62.1582 176.0487 18 F 4.2269 9.2320 121.6740 60.7055 38.2444 177.4143 19 A 3.9762 7.9507 119.5962 54.9113 18.2448 179.7450 20 R 3.7141 7.7199 116.7949 59.9237 30.2049 178.6381 21 M 4.3490 8.8581 118.4840 57.8820 31.6833 178.2015 22 H 3.2351 7.5460 118.2393 58.8080 30.0088 176.6004 23 A 4.2448 7.3414 120.9339 54.6673 18.6341 179.0613 24 E 4.1693 8.0747 116.0763 57.0761 29.9157 177.0430 25 G 3.8931 8.6283 106.3589 46.7971 0.0000 173.4061 26 R 4.6636 7.9269 116.5604 52.9470 32.7104 174.7085 27 P 4.9915 0.0000 0.0000 62.3248 31.8447 176.0650 28 V 4.3257 8.2440 121.6450 60.8753 34.1533 175.3566 29 D 4.8416 8.4889 126.3596 53.2771 39.3891 175.8695 30 I 3.6588 7.6280 126.4209 63.3337 37.2093 177.0260 31 L 3.8708 8.0160 122.1285 57.4613 41.7499 178.6003 32 A 3.9723 7.9959 119.9521 55.4360 18.0413 179.7450 33 V 2.3619 7.3621 115.6407 65.1217 31.8082 177.7642 34 T 4.0518 7.5996 109.0169 63.1453 68.6944 176.9985 35 G 3.7503 7.3078 108.1459 48.1798 0.0000 174.6045 36 N 4.2805 8.2288 117.3669 53.8393 38.9224 171.5495 37 M 3.0069 7.6631 123.6970 55.1443 31.9227 174.9427 38 D 5.0622 8.1112 124.4480 51.8535 44.2385 176.5869 39 E 4.0250 8.7000 122.4428 59.7102 29.4970 179.5155 40 E 4.1784 8.5116 118.2846 59.1728 29.5487 178.7005 41 H 4.3232 8.0104 118.5475 59.0686 29.6690 177.0300 42 R 3.9807 7.7850 119.2022 59.8182 30.0924 178.8255 43 T 3.9410 7.9131 112.1819 64.6314 67.4874 176.1344 44 W 4.1752 8.2695 130.6147 60.5526 30.7800 177.8418 45 F 4.4181 8.9979 120.4803 60.7412 38.1704 176.4293 46 C 4.2931 7.9325 118.8420 62.8968 31.0808 175.4683 47 A 3.8468 7.7450 120.5002 54.4591 18.0587 179.0232 48 R 4.7271 7.9182 115.5800 57.8415 30.3591 178.4826 49 Y 4.1871 8.8372 117.9677 61.1067 37.9368 177.8385 50 A 4.0578 7.8206 121.3177 54.8934 18.4503 179.1539 51 W 4.1712 8.0899 126.5383 61.1280 30.7065 177.4763 52 Y 2.9171 8.1389 119.1196 60.3520 38.0006 177.7782 53 C 3.9912 8.2983 120.0043 62.3784 31.7901 175.4581 54 Q 4.1019 8.2072 119.4130 58.7262 28.6431 178.0628 55 Q 3.9905 8.0381 119.9354 58.9758 28.7804 178.0150 56 M 3.7059 7.5857 120.5575 58.2802 31.9393 178.0939 57 M 3.9165 7.1928 114.7633 57.8341 31.3698 177.4249 58 Q 4.1981 7.4143 116.5713 56.6518 29.5804 176.2639 59 A 4.5672 7.3352 119.9339 53.0245 19.6863 176.4929 60 R 3.8178 7.7700 117.3482 57.5813 29.6284 174.3631 61 E 4.8554 8.4249 125.5813 56.8452 37.4300 175.1557 62 L 4.4634 8.0228 117.6966 55.6791 43.8583 175.7303 63 E 4.7185 7.6944 117.4180 54.0720 32.3557 175.7374 64 L 4.0962 8.3149 124.6197 57.2051 42.2569 176.2400 65 E 4.5420 7.5823 116.4805 56.4784 31.7761 175.0549 66 H 4.7709 7.5276 117.2076 56.8712 28.0337 173.3051 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 M 8.30 4.45 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.55 0.00 2 D 7.97 4.78 0.00 2.73 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 H 9.03 4.31 0.00 3.38 3.57 0.00 5.49 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 S 7.63 4.41 0.00 3.50 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 5 L 8.01 4.43 0.00 1.81 1.67 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 6 N 7.79 4.41 0.00 3.09 2.88 0.00 0.00 6.75 7.15 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 7 S 8.31 4.19 0.00 4.04 4.10 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 8 L 7.86 4.01 0.00 1.91 1.79 0.88 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 9 N 7.71 4.37 0.00 3.05 2.88 0.00 0.00 6.96 6.58 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 10 N 8.30 4.73 0.00 3.13 3.04 0.00 0.00 6.83 7.14 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 11 F 8.57 3.97 0.00 3.44 2.99 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 12 D 8.29 4.40 0.00 3.02 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.17 4.14 0.00 3.21 3.52 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 14 L 7.78 3.03 0.00 1.04 1.37 -0.23 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 15 A 7.77 4.22 1.53 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 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.55 3.98 0.00 1.91 2.23 0.00 2.82 0.00 0.00 3.33 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 0.00 17 S 7.54 4.22 0.00 3.97 3.56 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 0.00 0.00 0.00 0.00 18 F 9.23 4.23 0.00 3.35 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.95 3.98 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.72 3.71 0.00 2.15 1.96 0.00 3.13 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 21 M 8.86 4.35 0.00 2.55 2.45 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.62 0.00 22 H 7.55 3.24 0.00 2.54 3.08 0.00 5.94 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.34 4.24 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 E 8.07 4.17 0.00 2.13 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 2.38 2.47 0.00 25 G 8.63 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 0.00 0.00 0.00 26 R 7.93 4.66 0.00 1.91 1.91 0.00 3.26 0.00 0.00 3.31 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 27 P 0.00 4.99 0.00 2.40 1.99 0.00 3.33 0.00 0.00 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.89 0.00 28 V 8.24 4.33 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 1.35 0.00 0.00 29 D 8.49 4.84 0.00 2.79 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 30 I 7.63 3.66 1.20 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.62 -0.83 0.00 0.00 31 L 8.02 3.87 0.00 1.65 1.83 1.00 1.26 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 32 A 8.00 3.97 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.36 2.36 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 -0.62 0.00 0.00 34 T 7.60 4.05 4.40 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 1.03 0.00 0.00 35 G 7.31 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.23 4.28 0.00 2.93 2.84 0.00 0.00 7.10 7.93 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 37 M 7.66 3.01 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.54 0.00 38 D 8.11 5.06 0.00 2.69 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 0.00 0.00 0.00 39 E 8.70 4.02 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 40 E 8.51 4.18 0.00 2.22 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 2.33 2.37 0.00 41 H 8.01 4.32 0.00 3.15 3.59 0.00 5.79 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 7.79 3.98 0.00 2.26 2.01 0.00 3.58 0.00 0.00 3.15 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.78 0.00 43 T 7.91 3.94 4.31 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 1.38 0.00 0.00 44 W 8.27 4.18 0.00 3.57 3.16 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 45 F 9.00 4.42 0.00 2.87 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 46 C 7.93 4.29 0.00 3.13 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 47 A 7.75 3.85 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 48 R 7.92 4.73 0.00 1.83 2.17 0.00 2.32 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.98 0.00 49 Y 8.84 4.19 0.00 3.29 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 50 A 7.82 4.06 1.37 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 51 W 8.09 4.17 0.00 3.26 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.14 2.92 0.00 2.60 3.16 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 53 C 8.30 3.99 0.00 3.22 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 54 Q 8.21 4.10 0.00 2.33 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.61 0.00 0.00 0.00 0.00 0.00 2.36 2.64 0.00 55 Q 8.04 3.99 0.00 2.31 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.60 0.00 0.00 0.00 0.00 0.00 1.16 1.89 0.00 56 M 7.59 3.71 0.00 1.29 0.76 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.35 0.00 57 M 7.19 3.92 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.60 0.00 58 Q 7.41 4.20 0.00 2.28 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.88 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 59 A 7.34 4.57 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 60 R 7.77 3.82 0.00 1.76 1.85 0.00 3.32 0.00 0.00 3.13 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 61 E 8.42 4.86 0.00 1.90 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 0.00 2.19 2.21 0.00 62 L 8.02 4.46 0.00 1.61 1.62 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 63 E 7.69 4.72 0.00 1.96 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 2.25 2.19 0.00 64 L 8.31 4.10 0.00 1.64 1.64 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 65 E 7.58 4.54 0.00 2.01 1.63 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 2.42 2.50 0.00 66 H 7.53 4.77 0.00 3.35 3.26 0.00 5.22 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00