NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.8007 8.5598 114.8072 58.0276 64.7374 173.4701 2 T 3.8197 7.7474 110.6899 61.7440 69.5764 173.0703 3 I 3.4970 8.3017 121.4849 64.4443 38.5648 178.8031 4 E 3.8560 8.1074 117.5763 59.2394 28.7291 178.1414 5 E 3.4938 7.9516 120.3148 59.0985 28.9921 178.5985 6 R 4.1881 7.9139 117.2180 57.6673 30.6895 179.0025 7 V 3.3060 7.3043 117.7790 65.7686 31.6905 177.7242 8 K 3.7671 8.8271 119.4449 59.8725 32.0177 178.1334 9 K 3.7536 8.4782 116.7176 59.6236 32.4738 177.7911 10 I 3.6979 7.0281 118.4401 64.8445 37.9317 177.6755 11 I 4.3988 7.2322 122.4751 62.3013 36.2408 178.0482 12 G 4.2414 8.2578 110.0006 47.9778 0.0000 175.0877 13 Q 4.4022 8.4704 119.3145 59.1457 29.1056 178.3758 14 Q 4.1399 8.8044 119.8239 59.0208 28.4865 179.4012 15 L 5.1453 7.2096 121.2484 57.9425 42.7231 177.7508 16 G 4.2325 8.5535 108.2487 46.0477 0.0000 174.0045 17 V 4.5323 7.7470 111.2515 58.4656 35.9352 175.7271 18 K 4.1964 8.5258 121.9720 56.8004 32.6644 177.8872 19 Q 4.1227 8.5418 117.1095 58.8918 28.8746 178.5288 20 E 4.0260 8.1609 117.9657 59.2176 29.9479 177.7137 21 E 3.9130 7.9485 118.7533 59.0757 29.6710 176.5790 22 V 3.6934 6.9410 118.4045 63.6508 31.1142 175.5437 23 T 4.3613 8.1365 125.9220 63.2325 69.7511 173.2054 24 N 4.6318 8.5764 117.2638 55.7731 40.2828 175.6976 25 N 4.8357 7.8134 115.6741 52.0860 37.0502 173.0675 26 A 4.9949 7.1012 122.4608 52.3386 22.0952 175.6308 27 S 4.4715 8.2449 107.4845 58.3387 65.0455 176.0617 28 F 4.5401 9.3239 126.5627 57.9335 38.9291 177.1450 29 V 4.0492 7.8276 122.3829 63.6090 32.6291 176.0584 30 E 4.3953 7.8936 114.7477 57.9598 31.8243 176.3657 31 D 4.5307 8.1759 116.6644 57.3244 41.4117 177.5857 32 L 4.0991 8.0857 116.4910 56.3515 42.6242 177.0449 33 G 3.5899 7.9914 104.9000 45.2237 0.0000 171.6059 34 A 4.3206 8.1958 122.5269 50.4170 19.1286 177.1472 35 D 4.5504 8.4426 122.1215 54.1603 39.2855 177.7161 36 S 4.3670 8.5473 111.4996 59.8434 63.1670 175.4989 37 L 4.1252 7.8874 120.9110 56.1051 42.6651 177.8104 38 D 4.5552 8.4042 117.7854 56.6533 41.5192 178.4250 39 T 3.9401 8.0734 116.3557 67.0774 68.4373 176.1374 40 V 3.5687 7.4028 119.7370 66.0641 31.4807 177.5227 41 E 3.9251 8.0816 118.5125 59.4915 29.4256 179.6033 42 L 3.9223 7.6942 120.0353 58.0642 42.2247 178.8693 43 V 3.5624 7.9607 117.9568 66.2226 31.4314 177.3607 44 M 4.1344 8.4637 119.1112 58.3082 31.9510 178.1588 45 A 4.0273 7.9276 119.8416 55.2546 18.4492 179.2577 46 L 4.1492 8.1291 117.7494 58.3298 41.8405 179.1151 47 E 4.0643 9.0979 118.2712 59.3845 29.2870 178.6050 48 E 3.9118 8.4900 119.3568 59.5454 29.4288 179.0616 49 E 4.0321 8.8543 120.5243 58.7740 29.3804 178.7716 50 F 4.6107 7.9785 114.7014 56.9731 40.2611 175.1605 51 D 4.3345 8.3820 116.9918 55.2337 39.2953 172.3348 52 T 4.7036 7.2999 112.6508 60.3159 71.1307 173.6455 53 E 4.3111 8.4951 129.5885 53.5062 28.1378 172.6288 54 I 3.5194 8.0618 119.5987 60.1096 38.1542 174.1406 55 P 4.4704 0.0000 0.0000 62.1727 33.3740 176.1907 56 D 4.2434 8.6488 118.3704 58.1426 40.8006 178.1773 57 E 3.8580 8.1715 116.4554 60.1429 29.9534 178.9667 58 E 3.9248 7.8861 117.5186 58.8521 30.5138 178.0853 59 A 4.4364 8.0221 122.9515 51.6302 16.6644 176.0774 60 E 4.4445 7.6354 121.6398 56.9830 33.6925 176.4454 61 K 4.5289 7.3336 116.2585 55.8681 32.2579 177.1906 62 I 4.6908 7.1982 115.0212 61.1636 38.3696 175.9164 63 T 4.6000 7.8511 113.8689 61.9050 70.0471 172.6517 64 T 5.0279 7.4724 111.5780 60.9940 69.8365 173.0933 65 V 3.6573 7.3642 115.0652 64.3829 31.5486 178.5004 66 Q 3.8966 7.9253 117.2412 59.7277 29.0160 179.2108 67 A 3.8386 8.1909 119.4843 55.7074 18.2531 178.9846 68 A 4.0084 7.9136 116.7805 55.5929 18.7767 179.6296 69 I 3.6548 7.5943 117.8062 64.7418 36.9417 178.0783 70 D 4.3327 8.4413 119.2335 57.1680 41.1070 177.7031 71 Y 4.2624 7.9720 120.1630 60.8921 38.6719 177.8743 72 I 3.2642 7.7296 119.3995 63.8441 37.1721 176.9762 73 N 4.4391 7.7463 118.1334 55.3174 38.7581 175.1356 74 G 4.0105 7.7086 106.8826 44.1583 0.0000 167.7844 75 H 4.2808 8.0982 123.8439 54.5287 30.3605 172.6418 76 Q 4.1057 8.7787 122.9423 55.7598 28.0006 177.3182 77 A 4.2521 8.3064 124.8981 52.1830 19.3358 175.7236 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 S 8.56 4.80 0.00 4.00 4.03 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 0.00 0.00 0.00 2 T 7.75 3.82 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 3 I 8.30 3.50 1.95 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.82 0.00 0.00 4 E 8.11 3.86 0.00 2.14 2.15 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 0.00 2.32 2.28 0.00 5 E 7.95 3.49 0.00 2.10 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 2.50 0.00 6 R 7.91 4.19 0.00 1.84 1.82 0.00 3.25 0.00 0.00 3.08 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 7 V 7.30 3.31 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 0.96 0.00 0.00 0.80 0.00 0.00 8 K 8.83 3.77 0.00 1.87 1.85 0.00 1.58 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.49 7.81 9 K 8.48 3.75 0.00 1.84 1.63 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.49 7.81 10 I 7.03 3.70 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.74 1.00 0.00 0.00 11 I 7.23 4.40 1.89 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.62 0.34 0.00 0.00 12 G 8.26 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 0.00 0.00 0.00 0.00 13 Q 8.47 4.40 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.97 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 14 Q 8.80 4.14 0.00 2.27 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.82 0.00 0.00 0.00 0.00 0.00 2.42 2.53 0.00 15 L 7.21 5.15 0.00 2.39 1.84 0.80 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.55 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 0.00 0.00 0.00 0.00 17 V 7.75 4.53 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 0.97 0.00 0.00 1.14 0.00 0.00 18 K 8.53 4.20 0.00 1.94 1.97 0.00 1.52 0.00 0.00 1.88 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.57 7.81 19 Q 8.54 4.12 0.00 2.22 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.96 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 20 E 8.16 4.03 0.00 1.99 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 0.00 2.32 2.30 0.00 21 E 7.95 3.91 0.00 1.91 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 0.00 2.34 2.41 0.00 22 V 6.94 3.69 2.24 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 0.83 0.00 0.00 1.16 0.00 0.00 23 T 8.14 4.36 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 24 N 8.58 4.63 0.00 2.82 2.82 0.00 0.00 6.58 6.91 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 25 N 7.81 4.84 0.00 2.83 2.87 0.00 0.00 5.79 7.27 0.00 0.00 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 A 7.10 4.99 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 27 S 8.24 4.47 0.00 3.86 3.71 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 28 F 9.32 4.54 0.00 3.22 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 29 V 7.83 4.05 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 1.09 0.00 0.00 1.02 0.00 0.00 30 E 7.89 4.40 0.00 1.95 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 2.18 2.24 0.00 31 D 8.18 4.53 0.00 2.74 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 32 L 8.09 4.10 0.00 1.04 1.09 0.86 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.99 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 0.00 0.00 0.00 34 A 8.20 4.32 1.42 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 0.00 0.00 0.00 35 D 8.44 4.55 0.00 2.91 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.55 4.37 0.00 4.04 4.16 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 37 L 7.89 4.13 0.00 1.78 1.75 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.40 4.56 0.00 2.82 2.69 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 39 T 8.07 3.94 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 40 V 7.40 3.57 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 1.07 0.00 0.00 0.98 0.00 0.00 41 E 8.08 3.93 0.00 2.04 2.05 0.00 0.00 0.00 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 2.56 0.00 42 L 7.69 3.92 0.00 2.03 1.76 1.02 1.02 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 43 V 7.96 3.56 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 1.01 0.00 0.00 0.98 0.00 0.00 44 M 8.46 4.13 0.00 2.10 2.25 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.63 0.00 45 A 7.93 4.03 1.42 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 0.00 0.00 0.00 46 L 8.13 4.15 0.00 1.86 1.87 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 47 E 9.10 4.06 0.00 2.25 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 2.52 2.59 0.00 48 E 8.49 3.91 0.00 2.02 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 2.33 2.36 0.00 49 E 8.85 4.03 0.00 2.16 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 0.00 2.42 2.44 0.00 50 F 7.98 4.61 0.00 2.84 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.38 4.33 0.00 2.63 2.56 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 52 T 7.30 4.70 4.34 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 1.38 0.00 0.00 53 E 8.50 4.31 0.00 1.99 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 54 I 8.06 3.52 1.94 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.64 0.86 0.00 0.00 55 P 0.00 4.47 0.00 2.26 2.13 0.00 3.72 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.03 0.00 56 D 8.65 4.24 0.00 2.78 2.69 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 57 E 8.17 3.86 0.00 1.94 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 2.42 0.00 58 E 7.89 3.92 0.00 1.94 1.54 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 0.00 2.09 2.29 0.00 59 A 8.02 4.44 1.22 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 0.00 0.00 0.00 0.00 0.00 60 E 7.64 4.44 0.00 2.05 1.86 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 2.16 2.28 0.00 61 K 7.33 4.53 0.00 1.83 1.79 0.00 1.59 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.44 7.81 62 I 7.20 4.69 1.83 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.55 0.91 0.00 0.00 63 T 7.85 4.60 4.26 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 1.23 0.00 0.00 64 T 7.47 5.03 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 1.39 0.00 0.00 65 V 7.36 3.66 2.23 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 1.09 0.00 0.00 1.03 0.00 0.00 66 Q 7.93 3.90 0.00 2.52 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.39 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 67 A 8.19 3.84 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 68 A 7.91 4.01 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 I 7.59 3.65 2.01 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.95 0.83 0.00 0.00 70 D 8.44 4.33 0.00 2.87 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 71 Y 7.97 4.26 0.00 3.04 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 72 I 7.73 3.26 1.52 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.62 0.20 0.00 0.00 73 N 7.75 4.44 0.00 2.90 2.71 0.00 0.00 7.06 7.50 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 74 G 7.71 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 75 H 8.10 4.28 0.00 3.93 3.65 0.00 5.33 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 8.78 4.11 0.00 2.11 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 7.01 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 77 A 8.31 4.25 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00