NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8727 8.3549 109.7367 45.6737 0.0000 173.2972 2 S 4.5016 8.2137 121.9579 55.4712 65.1538 172.7516 3 S 4.3504 8.5657 118.3083 58.9632 64.5055 173.6629 4 G 3.7361 8.2084 116.7168 45.4923 0.0000 172.1777 5 S 4.7363 8.4489 119.1758 56.5238 64.7632 174.5071 6 S 4.1637 8.7632 118.5379 59.1286 62.3265 175.0448 7 G 4.9046 7.3406 123.4391 45.4088 0.0000 171.3596 8 R 4.1414 7.6645 127.4344 55.9518 31.8422 174.8958 9 R 4.9780 8.5367 123.8302 54.6625 32.6141 175.4361 10 V 5.4050 8.2185 114.8438 58.6553 36.9360 174.0017 11 R 4.7365 8.2585 119.9248 54.6478 34.0952 174.0363 12 A 4.8603 9.1132 126.8783 50.4195 18.3641 178.4610 13 I 3.7785 8.4660 115.7894 63.9777 38.1810 176.4378 14 L 4.7976 7.5000 119.2045 52.2451 45.5748 173.6014 15 P 4.6597 0.0000 0.0000 63.0001 31.9550 175.0186 16 Y 4.7251 7.4411 120.5662 56.1005 41.3376 175.6838 17 T 4.0424 5.7925 119.9414 60.0727 68.6221 173.6377 18 K 4.1145 7.6891 123.9822 55.9713 33.6435 177.0918 19 V 3.8564 8.1968 120.4706 61.5384 32.2724 174.0446 20 P 4.2561 0.0000 0.0000 63.9390 32.1028 175.6937 21 D 4.3658 9.6492 121.6675 54.5209 36.9611 172.1993 22 T 4.5425 7.1615 106.7347 61.0095 71.7252 173.4430 23 D 4.5488 8.7059 120.5874 56.5560 41.1789 176.9833 24 E 4.0953 7.9223 117.8860 55.6405 30.3901 176.2467 25 I 4.8608 8.1368 113.8609 59.1103 40.7461 174.6468 26 S 4.5224 8.7456 119.6929 57.4698 63.7395 173.0563 27 F 5.2877 7.7641 118.1690 54.9527 41.9234 173.6156 28 L 4.8760 8.4956 117.3422 52.1025 44.8794 176.2031 29 K 4.3742 8.6902 121.9796 58.5094 32.2529 176.1108 30 G 4.1323 8.9861 115.4968 45.7765 0.0000 173.7543 31 D 4.2665 8.3268 120.9205 54.6607 41.6398 176.9749 32 M 4.6355 8.0935 123.1170 55.0755 34.4669 174.2324 33 F 4.9103 7.7944 116.8252 57.6052 44.1682 174.3299 34 I 4.4265 8.2342 118.9767 59.5868 40.4799 175.4181 35 V 3.7346 8.4355 128.7039 63.8394 31.1488 174.8547 36 H 4.8418 8.8892 125.0283 56.9972 30.3565 175.1699 37 N 5.0551 8.2453 115.6959 51.7830 42.4827 173.0205 38 E 4.7376 8.8589 125.2962 55.1212 30.1146 175.7288 39 L 4.4690 8.4817 125.9582 54.2729 44.0862 175.4817 40 E 4.6247 8.6289 118.8904 56.0275 31.8602 175.9012 41 D 4.4413 9.7186 116.6620 55.6643 38.9731 173.7923 42 G 3.5138 8.4353 103.6504 45.0506 0.0000 173.1279 43 W 5.5275 7.2074 117.9110 56.7734 34.5986 175.0345 44 M 5.2170 8.5984 119.6345 54.2726 36.3858 174.2388 45 W 5.2666 9.3830 133.9937 56.3211 30.6669 175.6778 46 V 5.4234 7.4954 119.8483 59.1046 34.5993 174.2262 47 T 5.4166 8.0624 116.6504 61.5185 72.3571 173.4491 48 N 4.6691 9.0455 126.1032 54.1895 39.4906 175.5917 49 L 4.0347 7.9397 125.7274 57.5283 42.0245 178.8860 50 R 3.9757 8.1076 118.7492 59.3895 30.1122 177.6515 51 T 4.1254 7.8513 105.2198 61.9247 69.5178 173.9069 52 D 4.5593 7.9475 121.0029 55.7002 39.0353 172.9666 53 E 4.8781 7.8598 115.4972 54.7361 34.1126 175.4278 54 Q 4.5892 8.4415 120.2068 55.1132 31.0943 175.8310 55 G 3.6872 6.9650 107.2234 45.6962 0.0000 171.0742 56 L 5.4824 8.6774 121.0429 53.0732 43.9818 176.2556 57 I 4.8021 8.4499 117.5232 58.8641 41.3691 174.8429 58 V 3.9558 7.7111 122.2188 59.2550 33.1286 176.4437 59 E 4.0758 8.4093 119.6601 57.3299 29.6773 176.6528 60 D 4.4693 7.5217 118.3794 55.1530 42.0601 176.3408 61 L 4.7126 7.5125 117.4136 54.6578 42.9304 175.9714 62 V 4.8771 7.4480 111.5241 59.6493 36.2483 174.0785 63 E 4.8875 8.7996 118.8578 54.3027 33.2670 174.6501 64 E 4.3208 8.7103 119.4386 56.4032 30.6885 177.2351 65 V 4.1482 8.2417 125.5289 61.2522 30.4107 174.0437 66 S 4.5637 7.6897 117.8162 55.3533 65.5538 173.6535 67 G 4.2020 8.0429 118.1373 44.7228 0.0000 170.7657 68 P 4.3240 0.0000 0.0000 65.2963 31.6425 177.5618 69 S 4.1606 7.8832 112.6052 57.9887 62.7984 173.8009 70 S 4.2030 8.3765 123.2735 59.6167 63.4234 174.5401 71 G 4.0145 8.6670 111.2819 45.8729 0.0000 173.2901 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 G 8.35 3.87 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 0.00 0.00 0.00 2 S 8.21 4.50 0.00 3.94 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.57 4.35 0.00 3.86 3.82 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 4 G 8.21 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 5 S 8.45 4.74 0.00 3.83 3.76 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 6 S 8.76 4.16 0.00 3.88 3.86 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 7 G 7.34 4.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.66 4.14 0.00 1.90 1.79 0.00 3.12 0.00 0.00 3.31 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 9 R 8.54 4.98 0.00 1.77 1.79 0.00 3.10 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 10 V 8.22 5.41 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 1.04 0.00 0.00 0.91 0.00 0.00 11 R 8.26 4.74 0.00 1.83 1.86 0.00 3.18 0.00 0.00 3.34 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 12 A 9.11 4.86 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 13 I 8.47 3.78 1.89 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 1.56 0.67 0.91 0.00 0.00 14 L 7.50 4.80 0.00 1.69 1.63 0.95 1.06 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 15 P 0.00 4.66 0.00 2.18 2.10 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 16 Y 7.44 4.73 0.00 2.71 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 17 T 5.79 4.04 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 1.01 0.00 0.00 18 K 7.69 4.11 0.00 1.93 1.98 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.43 7.81 19 V 8.20 3.86 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 1.05 0.00 0.00 20 P 0.00 4.26 0.00 2.21 2.03 0.00 3.90 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 21 D 9.65 4.37 0.00 2.87 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 22 T 7.16 4.54 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 1.20 0.00 0.00 23 D 8.71 4.55 0.00 2.83 2.98 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 24 E 7.92 4.10 0.00 2.08 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 2.37 2.45 0.00 25 I 8.14 4.86 1.98 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 1.44 0.94 0.96 0.00 0.00 26 S 8.75 4.52 0.00 3.77 3.84 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 27 F 7.76 5.29 0.00 3.47 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.50 4.88 0.00 1.95 1.62 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.69 4.37 0.00 1.79 1.81 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.11 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.58 7.81 30 G 8.99 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.33 4.27 0.00 2.85 2.39 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.09 4.64 0.00 1.81 1.80 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.49 0.00 33 F 7.79 4.91 0.00 2.76 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 34 I 8.23 4.43 1.87 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.69 0.80 0.00 0.00 35 V 8.44 3.73 2.17 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 0.75 0.00 0.00 0.94 0.00 0.00 36 H 8.89 4.84 0.00 3.50 3.47 0.00 5.65 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 37 N 8.25 5.06 0.00 2.92 2.76 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 38 E 8.86 4.74 0.00 1.92 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 2.27 2.35 0.00 39 L 8.48 4.47 0.00 1.84 1.79 0.96 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.63 4.62 0.00 2.12 1.94 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 2.34 2.40 0.00 41 D 9.72 4.44 0.00 3.05 3.04 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 42 G 8.44 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 W 7.21 5.53 0.00 3.41 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 M 8.60 5.22 0.00 2.10 1.90 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.57 0.00 45 W 9.38 5.27 0.00 3.49 3.05 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 0.00 0.00 0.00 46 V 7.50 5.42 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.67 0.00 0.00 47 T 8.06 5.42 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 1.24 0.00 0.00 48 N 9.05 4.67 0.00 3.02 2.78 0.00 0.00 7.47 6.97 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 49 L 7.94 4.03 0.00 1.40 1.62 0.83 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.11 3.98 0.00 1.76 2.09 0.00 3.25 0.00 0.00 3.33 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.55 0.00 51 T 7.85 4.13 4.28 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 52 D 7.95 4.56 0.00 2.87 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 53 E 7.86 4.88 0.00 1.85 1.79 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 2.50 2.27 0.00 54 Q 8.44 4.59 0.00 1.82 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.89 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 55 G 6.96 3.69 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 0.00 0.00 0.00 56 L 8.68 5.48 0.00 2.00 1.75 0.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 57 I 8.45 4.80 1.47 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.65 0.65 0.00 0.00 58 V 7.71 3.96 0.91 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 0.51 0.00 0.00 0.34 0.00 0.00 59 E 8.41 4.08 0.00 1.99 1.97 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 2.11 2.14 0.00 60 D 7.52 4.47 0.00 2.48 2.52 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 61 L 7.51 4.71 0.00 1.49 1.65 0.80 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 62 V 7.45 4.88 1.96 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 0.29 0.00 0.00 0.82 0.00 0.00 63 E 8.80 4.89 0.00 2.03 1.97 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 2.17 2.43 0.00 64 E 8.71 4.32 0.00 1.98 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 2.25 2.29 0.00 65 V 8.24 4.15 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 0.72 0.00 0.00 1.03 0.00 0.00 66 S 7.69 4.56 0.00 3.81 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.04 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 0.00 0.00 0.00 0.00 68 P 0.00 4.32 0.00 2.19 2.19 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 69 S 7.88 4.16 0.00 3.84 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 S 8.38 4.20 0.00 3.89 3.77 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 71 G 8.67 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