NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.0093 8.3044 120.3085 56.1227 32.6643 170.8892 2 I 2.6480 7.8735 122.9100 59.4865 39.5660 168.3117 3 V 2.7562 7.6912 120.7742 60.7820 32.5600 173.8217 4 P 4.0766 0.0000 0.0000 62.4576 31.3801 176.0989 5 V 3.4432 8.2497 122.9084 63.5251 31.5732 172.4227 6 R 4.1976 8.6322 132.4216 55.1726 29.7965 175.9275 7 C 3.9925 8.6503 121.8030 59.4357 32.3072 174.7444 8 F 4.5062 8.4275 125.3618 60.8326 38.6757 176.3326 9 S 4.1920 7.7635 114.5260 60.2354 62.3168 174.7132 10 C 4.1334 8.4329 116.2382 62.1224 30.1764 175.6104 11 G 4.1761 8.2811 106.9117 44.5081 0.0000 173.3727 12 K 4.0924 7.9812 120.9360 55.3517 32.8952 176.6734 13 V 3.8807 8.3188 118.2968 62.2874 32.1566 176.1567 14 V 4.1842 8.3147 121.6901 63.6590 33.9419 177.4477 15 G 3.9433 8.4003 108.2024 48.6847 0.0000 174.2923 16 D 4.5459 8.0825 119.6883 55.2114 40.2386 178.4882 17 K 4.1204 8.1439 119.9201 58.9652 31.8057 178.8523 18 W 4.4012 8.3606 128.4516 60.6475 30.1516 177.0692 19 E 3.9660 8.0298 116.9169 60.3783 29.0133 179.8574 20 S 3.9565 7.9967 114.0560 61.5135 62.9368 176.0393 21 Y 4.0723 8.0354 122.3910 60.7776 38.4091 178.2782 22 L 3.5058 7.6790 119.9034 57.5643 41.5409 179.0330 23 N 4.2413 7.5649 116.7250 56.2619 38.8455 176.7958 24 L 4.0207 7.8942 122.0627 57.6332 42.0023 178.1827 25 L 4.1715 7.4107 117.0559 56.2232 41.9346 177.0335 26 Q 4.2444 7.5618 119.9045 57.4636 29.0744 176.6341 27 E 3.9530 8.4031 123.3350 59.8291 30.3502 179.1442 28 D 4.3763 7.9226 117.6526 54.8406 41.0875 176.0397 29 E 3.9658 7.3658 116.5309 56.1000 28.5615 174.4632 30 L 4.3069 7.5622 117.7976 53.8452 43.1433 176.4250 31 D 4.9712 8.1355 118.1905 51.8308 42.8142 176.6429 32 E 4.1838 8.7845 120.7554 60.0804 29.0708 179.9652 33 G 3.7371 8.2566 104.7493 48.1010 0.0000 175.2163 34 T 4.3773 7.8548 116.4970 65.4215 68.8996 176.9309 35 A 4.0062 8.1635 122.8601 55.3299 18.5148 179.5449 36 L 3.9657 8.3740 117.7031 58.1168 41.7260 180.1139 37 S 4.0687 7.6271 115.2910 61.7962 62.6842 176.8303 38 R 3.9694 8.1047 120.2511 59.2459 29.9079 178.1809 39 L 4.1691 8.0800 117.9373 55.2514 42.7979 176.3058 40 G 3.6134 7.9071 105.8532 46.4292 0.0000 174.2443 41 L 4.7824 7.1916 115.4335 58.0291 42.1946 179.2024 42 K 4.3999 6.6137 118.0177 57.5812 33.6964 177.5112 43 R 4.4966 7.4786 115.6252 54.8985 32.8392 176.7487 44 Y 4.2811 8.2423 118.7265 60.4896 37.5051 178.4947 45 C 4.1755 7.5446 115.2490 61.3059 30.2443 175.1642 46 C 4.2221 7.8786 118.7035 62.4117 27.8529 175.9738 47 R 3.9419 8.0578 120.0358 59.1460 29.8008 179.2265 48 R 4.2202 8.2527 117.0139 58.3537 29.1806 178.7442 49 M 3.8965 7.4618 118.5027 58.5448 32.3557 177.8434 50 I 3.9187 7.3762 117.9602 64.1209 37.4213 177.6428 51 L 4.1232 8.0194 121.4077 58.5300 42.0322 178.9647 52 T 4.0597 7.6485 114.1004 65.5994 68.7478 173.9789 53 H 4.3373 7.7196 121.2214 55.6661 30.3169 174.3432 54 V 4.1955 7.8139 126.1272 61.3138 32.5012 175.7760 55 D 4.5432 8.2844 129.8150 52.7982 39.7653 176.4300 56 L 3.8272 7.8277 123.1656 56.9600 41.9529 178.3770 57 I 3.3425 7.5584 118.6145 64.2613 37.8584 177.2161 58 E 4.0115 7.7923 118.6852 59.5365 29.1450 179.4684 59 K 4.0624 8.1607 116.5793 59.4802 32.2771 179.0478 60 F 4.5263 8.8473 118.1093 60.8044 38.7166 177.7446 61 L 4.1072 8.2398 117.4542 57.7596 41.4765 179.1738 62 R 3.9007 7.7964 117.6160 58.2856 30.1995 176.3214 63 Y 4.3504 7.1120 115.7346 57.1092 39.9155 174.1840 64 N 3.6899 9.3659 114.7894 57.2123 38.4254 172.8592 65 P 4.4659 0.0000 0.0000 62.8155 31.4220 176.1951 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 4.01 0.00 1.85 1.86 0.00 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.27 0.00 2 I 7.87 2.65 1.74 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 1.17 0.37 0.80 0.00 0.00 3 V 7.69 2.76 1.80 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 0.04 0.00 0.00 0.75 0.00 0.00 4 P 0.00 4.08 0.00 1.76 1.90 0.00 3.36 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.53 0.00 5 V 8.25 3.44 2.06 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 0.80 0.00 0.00 0.89 0.00 0.00 6 R 8.63 4.20 0.00 2.00 1.92 0.00 3.26 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 7 C 8.65 3.99 0.00 2.80 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.43 4.51 0.00 3.05 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 9 S 7.76 4.19 0.00 3.87 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.43 4.13 0.00 3.07 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 11 G 8.28 4.18 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 0.00 12 K 7.98 4.09 0.00 1.76 1.63 0.00 1.71 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.43 7.81 13 V 8.32 3.88 2.06 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 0.71 0.00 0.00 0.92 0.00 0.00 14 V 8.31 4.18 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 0.92 0.00 0.00 0.86 0.00 0.00 15 G 8.40 3.94 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 0.00 0.00 0.00 16 D 8.08 4.55 0.00 2.94 2.95 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 17 K 8.14 4.12 0.00 2.10 1.94 0.00 1.56 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.52 7.81 18 W 8.36 4.40 0.00 3.27 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 19 E 8.03 3.97 0.00 2.25 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 0.00 2.50 2.59 0.00 20 S 8.00 3.96 0.00 3.90 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 21 Y 8.04 4.07 0.00 3.09 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 22 L 7.68 3.51 0.00 1.32 1.41 -0.51 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.56 4.24 0.00 2.59 2.73 0.00 0.00 6.84 6.54 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 24 L 7.89 4.02 0.00 1.94 1.48 0.97 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.41 4.17 0.00 1.30 1.43 0.48 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.56 4.24 0.00 2.07 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.79 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 27 E 8.40 3.95 0.00 1.94 1.99 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 2.29 2.33 0.00 28 D 7.92 4.38 0.00 2.84 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.37 3.97 0.00 2.10 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 2.18 2.24 0.00 30 L 7.56 4.31 0.00 1.79 1.59 0.89 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.14 4.97 0.00 2.84 2.75 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 32 E 8.78 4.18 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.61 0.00 33 G 8.26 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 34 T 7.85 4.38 4.25 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 1.22 0.00 0.00 35 A 8.16 4.01 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.37 3.97 0.00 1.73 1.76 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.63 4.07 0.00 4.23 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 38 R 8.10 3.97 0.00 1.93 1.98 0.00 3.26 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 39 L 8.08 4.17 0.00 1.81 1.74 1.16 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.91 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 7.19 4.78 0.00 1.70 1.57 0.87 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 42 K 6.61 4.40 0.00 1.73 1.71 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.48 7.81 43 R 7.48 4.50 0.00 1.59 1.87 0.00 3.04 0.00 0.00 3.31 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.41 0.00 44 Y 8.24 4.28 0.00 3.23 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 45 C 7.54 4.18 0.00 3.11 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 46 C 7.88 4.22 0.00 3.07 2.95 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 47 R 8.06 3.94 0.00 2.08 2.01 0.00 3.20 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.91 0.00 48 R 8.25 4.22 0.00 2.08 2.43 0.00 3.12 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.51 0.00 49 M 7.46 3.90 0.00 1.88 2.01 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.24 0.00 50 I 7.38 3.92 1.64 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.81 -0.00 0.00 0.00 51 L 8.02 4.12 0.00 1.75 1.89 1.03 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.65 4.06 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 53 H 7.72 4.34 0.00 3.21 3.22 0.00 5.71 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 54 V 7.81 4.20 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 0.86 0.00 0.00 0.93 0.00 0.00 55 D 8.28 4.54 0.00 2.94 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 56 L 7.83 3.83 0.00 1.59 1.68 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.56 3.34 1.69 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.91 0.00 0.00 58 E 7.79 4.01 0.00 1.93 2.04 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 2.58 2.60 0.00 59 K 8.16 4.06 0.00 2.16 2.05 0.00 1.83 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.54 1.59 7.81 60 F 8.85 4.53 0.00 3.28 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 61 L 8.24 4.11 0.00 1.83 1.80 1.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.80 3.90 0.00 1.77 1.71 0.00 3.21 0.00 0.00 3.13 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 63 Y 7.11 4.35 0.00 2.97 2.86 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 64 N 9.37 3.69 0.00 2.71 2.66 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 65 P 0.00 4.47 0.00 2.10 1.97 0.00 3.80 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00