NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 18 S 4.4237 8.3193 115.2950 58.7639 63.5162 172.4900 19 H 4.6355 7.9766 119.8216 54.1002 30.8702 171.8549 20 M 4.2257 9.2021 120.9557 55.0450 33.3045 178.0399 21 S 4.3567 8.4860 118.1853 59.0403 63.4962 175.4561 22 T 4.3657 8.8728 116.5926 60.8485 71.0395 175.8172 23 I 3.9403 8.3052 121.7419 64.6541 37.1034 178.1869 24 E 3.9920 8.2168 119.4487 59.5074 29.5738 178.5905 25 E 4.0621 8.1247 118.1047 59.4759 29.3585 179.6350 26 R 3.9814 8.3489 118.2733 59.1239 30.1183 179.2654 27 V 3.8227 8.1814 118.0956 66.1823 31.5227 178.3570 28 K 4.1226 8.2889 118.2446 59.0644 31.8155 179.3375 29 K 3.9441 8.2388 120.1432 59.4706 32.1512 178.8972 30 I 3.7116 7.6023 119.8596 64.5460 37.1135 178.3972 31 I 3.8970 7.9133 120.7122 64.3586 37.0489 178.7174 32 G 3.6792 8.4006 106.6584 47.4241 0.0000 175.6797 33 E 4.0501 8.1534 120.1594 58.8620 29.4825 178.9871 34 Q 4.1275 8.1005 119.0938 58.3718 29.3066 177.1280 35 L 4.6384 7.8605 116.4903 53.4788 42.3484 176.7000 36 G 3.8955 7.9448 106.6459 46.6022 0.0000 174.1137 37 V 4.4840 7.3601 111.3851 58.5957 34.6793 175.6695 38 K 4.3114 8.2144 121.0128 56.2533 32.5983 178.4556 39 Q 4.0491 8.5988 122.7689 59.1914 29.2778 178.2382 40 E 4.1150 8.1241 119.5383 59.2699 29.4259 178.5095 41 E 4.2065 7.8786 117.6752 57.2616 29.7053 176.7088 42 V 3.8451 7.0157 118.4594 62.4613 31.3620 175.2778 43 T 4.5257 8.0333 117.7309 60.0906 70.6933 175.7131 44 N 4.3322 8.5542 119.9841 56.2456 38.7441 176.5384 45 N 4.5744 7.9266 112.3784 53.2004 39.4723 175.0521 46 A 4.1662 7.5422 123.3192 51.8440 19.2296 176.8927 47 S 4.7000 9.2622 118.3812 57.4712 63.5809 175.0903 48 F 4.1983 8.8945 127.0741 60.8942 38.7376 178.0753 49 V 3.8077 8.0258 119.6517 66.0812 31.8123 177.8484 50 E 3.9945 8.2258 117.2804 59.6399 29.7395 178.0093 51 D 4.4934 8.0980 116.4112 56.8930 41.2216 177.7265 52 L 4.2666 7.9005 116.1569 54.5610 42.1425 176.9068 53 G 3.7730 8.1931 105.8812 45.7038 0.0000 173.4759 54 A 4.3341 8.1701 123.2719 51.4563 19.2582 179.0908 55 D 4.8417 8.9069 124.3543 52.2854 43.0646 177.0798 56 S 4.4037 8.4752 113.1843 59.9600 63.4483 174.5084 57 L 4.3571 7.8588 123.9603 57.2355 42.6827 177.3808 58 D 4.5192 8.9292 119.4302 57.8548 40.7634 179.1487 59 T 3.7314 7.7184 109.7684 64.5236 68.7470 176.9884 60 V 3.5060 7.6036 120.6238 65.9610 31.7450 177.8282 61 E 4.0381 8.4246 118.3641 58.9409 29.1877 179.4304 62 L 3.9069 8.0760 119.6988 57.7689 41.6248 179.5878 63 V 3.5235 7.4504 117.7463 66.2063 31.4447 177.8977 64 M 4.0310 8.0354 118.2371 58.4262 31.7745 178.6627 65 A 4.0367 8.0662 120.8836 55.0739 18.5444 179.7576 66 L 4.1850 8.1854 117.6475 57.9604 41.7363 179.4085 67 E 4.1548 8.6199 119.0420 59.4103 28.9604 179.1518 68 E 3.9099 8.3019 119.2794 59.2529 29.5503 178.4733 69 E 3.7548 8.1745 118.5611 58.7406 29.7135 177.3276 70 F 4.6001 8.1872 114.0418 56.2029 39.6701 175.1803 71 D 4.4216 7.6017 118.0020 55.8383 39.7050 172.3053 72 T 4.7804 8.0584 113.3055 61.8752 72.9429 174.0602 73 E 4.7482 8.6617 121.4266 54.8475 31.5495 175.8476 74 I 4.3447 8.6525 126.3483 58.9573 38.1903 175.0664 75 P 4.4370 0.0000 0.0000 62.7751 33.3264 176.9198 76 D 4.3745 8.7084 119.5319 57.5364 40.4892 179.0337 77 E 3.9753 8.0346 117.0520 59.5379 30.0562 178.6325 78 E 4.0765 8.0811 118.7807 58.7634 29.6459 178.8426 79 A 3.8538 7.8806 120.9432 54.9994 18.1561 179.5112 80 E 3.9562 7.8443 116.1078 59.3813 29.5103 179.3936 81 K 4.2590 7.6254 117.6980 57.7353 32.1512 177.2948 82 I 4.2262 7.0772 120.5445 60.6035 37.4405 175.4857 83 T 4.7361 8.6476 114.7394 61.0865 70.6962 173.5212 84 T 4.7032 7.4647 111.9965 59.0743 73.0947 174.7383 85 V 3.4851 7.6932 120.6657 66.1078 31.4136 177.9758 86 Q 3.9421 8.8320 119.6647 59.0996 28.9110 177.9383 87 A 4.0649 7.7351 120.2714 55.0850 18.3404 179.5609 88 A 3.9752 7.9446 119.2758 55.4946 18.5046 179.7896 89 I 3.6116 7.8570 118.3221 64.6855 36.9455 178.3634 90 D 4.3272 8.4837 118.7562 57.5492 40.7600 177.9606 91 Y 4.1074 7.8131 118.6234 60.8826 38.9201 177.9422 92 I 3.5632 7.5278 119.4072 62.2780 37.1572 175.8648 93 N 4.6343 8.0492 121.3672 53.4434 38.8064 173.9342 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 18 S 8.32 4.42 0.00 3.84 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 19 H 7.98 4.64 0.00 3.32 3.23 0.00 5.78 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 M 9.20 4.23 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.52 0.00 21 S 8.49 4.36 0.00 3.86 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 22 T 8.87 4.37 4.29 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 1.25 0.00 0.00 23 I 8.31 3.94 1.92 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 1.74 1.00 0.84 0.00 0.00 24 E 8.22 3.99 0.00 2.06 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 2.41 2.44 0.00 25 E 8.12 4.06 0.00 2.25 2.02 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 2.38 2.41 0.00 26 R 8.35 3.98 0.00 2.25 1.93 0.00 2.99 0.00 0.00 2.99 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 27 V 8.18 3.82 2.32 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 1.16 0.00 0.00 1.08 0.00 0.00 28 K 8.29 4.12 0.00 1.91 1.88 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.65 7.81 29 K 8.24 3.94 0.00 1.98 1.98 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.49 7.81 30 I 7.60 3.71 2.13 0.00 0.00 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 1.53 0.87 0.95 0.00 0.00 31 I 7.91 3.90 2.10 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.20 1.10 0.00 0.00 32 G 8.40 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 0.00 0.00 0.00 33 E 8.15 4.05 0.00 1.97 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 2.35 2.44 0.00 34 Q 8.10 4.13 0.00 2.12 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 35 L 7.86 4.64 0.00 1.77 1.70 1.05 0.76 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 36 G 7.94 3.90 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 37 V 7.36 4.48 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 1.02 0.00 0.00 0.96 0.00 0.00 38 K 8.21 4.31 0.00 1.82 1.73 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.43 7.81 39 Q 8.60 4.05 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.06 0.00 0.00 0.00 0.00 0.00 2.37 2.60 0.00 40 E 8.12 4.12 0.00 2.06 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 2.41 2.37 0.00 41 E 7.88 4.21 0.00 1.99 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 2.32 2.31 0.00 42 V 7.02 3.85 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 0.85 0.00 0.00 1.02 0.00 0.00 43 T 8.03 4.53 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 44 N 8.55 4.33 0.00 2.83 3.07 0.00 0.00 6.85 6.92 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 45 N 7.93 4.57 0.00 2.67 2.81 0.00 0.00 6.87 7.35 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 46 A 7.54 4.17 1.20 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 47 S 9.26 4.70 0.00 3.77 3.79 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 48 F 8.89 4.20 0.00 3.22 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 49 V 8.03 3.81 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 1.06 0.00 0.00 0.99 0.00 0.00 50 E 8.23 3.99 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 2.31 2.39 0.00 51 D 8.10 4.49 0.00 2.78 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 52 L 7.90 4.27 0.00 1.92 1.77 0.88 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 53 G 8.19 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 0.00 0.00 0.00 54 A 8.17 4.33 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 55 D 8.91 4.84 0.00 2.96 2.85 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 0.00 0.00 0.00 56 S 8.48 4.40 0.00 4.04 4.02 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 57 L 7.86 4.36 0.00 1.76 1.83 0.91 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.93 4.52 0.00 2.88 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 59 T 7.72 3.73 4.14 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 0.00 0.00 1.22 0.00 0.00 60 V 7.60 3.51 2.19 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 1.03 0.00 0.00 0.90 0.00 0.00 61 E 8.42 4.04 0.00 2.14 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 0.00 2.31 2.52 0.00 62 L 8.08 3.91 0.00 1.72 1.48 0.68 1.03 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 63 V 7.45 3.52 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 1.05 0.00 0.00 0.83 0.00 0.00 64 M 8.04 4.03 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.55 0.00 65 A 8.07 4.04 1.40 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 0.00 0.00 66 L 8.19 4.19 0.00 1.92 1.89 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.62 4.15 0.00 2.24 2.09 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 2.49 2.50 0.00 68 E 8.30 3.91 0.00 2.11 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 2.27 2.30 0.00 69 E 8.17 3.75 0.00 1.86 1.77 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 1.74 1.47 0.00 70 F 8.19 4.60 0.00 3.21 3.06 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 0.00 0.00 0.00 71 D 7.60 4.42 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 72 T 8.06 4.78 4.37 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 1.28 0.00 0.00 73 E 8.66 4.75 0.00 1.94 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 2.22 2.31 0.00 74 I 8.65 4.34 1.78 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 1.43 0.60 0.53 0.00 0.00 75 P 0.00 4.44 0.00 2.26 2.19 0.00 3.79 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 76 D 8.71 4.37 0.00 2.77 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 77 E 8.03 3.98 0.00 2.11 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 2.28 2.40 0.00 78 E 8.08 4.08 0.00 2.00 1.78 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 2.43 2.44 0.00 79 A 7.88 3.85 1.25 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 0.00 0.00 0.00 80 E 7.84 3.96 0.00 2.24 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 2.32 0.00 81 K 7.63 4.26 0.00 1.92 1.87 0.00 1.86 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.65 7.81 82 I 7.08 4.23 1.83 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.52 1.04 0.00 0.00 83 T 8.65 4.74 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 1.31 0.00 0.00 84 T 7.46 4.70 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 1.18 0.00 0.00 85 V 7.69 3.49 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 1.00 0.00 0.00 0.65 0.00 0.00 86 Q 8.83 3.94 0.00 2.22 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.35 2.57 0.00 87 A 7.74 4.06 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 88 A 7.94 3.98 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 0.00 0.00 0.00 0.00 0.00 89 I 7.86 3.61 2.01 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.78 0.91 0.00 0.00 90 D 8.48 4.33 0.00 2.78 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 91 Y 7.81 4.11 0.00 3.03 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 92 I 7.53 3.56 1.51 0.00 0.00 0.41 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 0.61 0.05 0.00 0.00 93 N 8.05 4.63 0.00 2.77 2.90 0.00 0.00 6.86 7.98 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