NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9366 8.3393 109.7373 44.3380 0.0000 173.7529 3 S 4.3930 6.3133 116.8817 57.1364 64.5051 172.8130 4 E 4.0257 8.8899 122.0519 59.2247 30.4067 178.3272 5 V 4.5660 6.9485 110.5433 60.1146 35.4358 174.0957 6 S 4.4189 8.9092 119.0804 59.2771 68.5225 176.8880 7 D 4.3675 7.9784 118.2207 53.6378 40.3992 172.5823 8 K 3.7733 8.6629 121.6261 57.0172 30.1221 176.1605 9 R 4.4746 7.9356 124.6246 54.6083 32.6682 175.9916 10 T 4.1285 8.4578 120.7527 65.7695 68.8640 173.8301 11 C 5.0533 7.5125 111.8393 53.9176 44.7268 174.0557 12 V 4.0743 8.3441 112.1000 60.9750 33.4401 176.0666 13 S 4.7560 7.9196 114.1158 56.5732 64.5635 173.3170 14 L 4.9199 8.1919 122.1939 53.1937 44.5267 176.1568 15 T 4.3610 9.0850 119.9778 63.4288 68.9082 175.9275 16 T 4.3611 8.5375 123.4016 64.8025 69.4140 175.3736 17 Q 4.2577 7.9451 118.4592 55.7251 29.5849 175.3574 18 R 2.5392 7.6905 117.1702 54.2250 31.5975 176.0460 19 L 4.5730 5.6200 118.4736 51.7589 45.3227 175.0807 20 P 4.2203 0.0000 0.0000 62.8863 31.8131 178.3065 21 C 4.4255 8.7775 122.2428 58.8499 43.8898 175.0627 22 S 4.0925 7.9741 112.4862 60.1877 63.2263 174.8380 23 R 4.2980 8.0460 119.9455 56.5031 30.4197 176.1254 24 I 4.2033 7.2752 120.6971 61.4434 37.3842 175.4065 25 K 4.2948 9.2824 128.2151 58.2816 32.6172 176.2342 26 T 4.6444 7.5009 111.9005 61.6067 70.7166 170.5326 27 Y 5.1978 8.0736 121.6433 55.6300 41.7615 174.8789 28 T 4.4917 8.9242 116.4328 62.1549 72.6873 173.0588 29 I 4.6856 8.5902 127.8420 60.3904 38.9059 175.1502 30 T 4.5412 9.0448 117.6418 60.1864 70.7777 173.2151 31 E 4.9201 8.3773 125.2731 53.4222 31.8066 173.7624 32 G 4.0145 8.3006 116.6938 46.5413 0.0000 175.1198 33 S 4.3676 9.2016 119.8904 58.5374 63.6869 173.3061 34 L 4.4390 7.7238 121.6984 53.0804 42.5110 174.9956 35 R 5.1226 8.7229 127.1118 54.5541 31.0731 175.2074 36 A 4.8787 8.6543 127.6697 49.9650 22.8569 174.7057 37 V 4.5275 8.1598 121.1777 60.1091 33.6963 174.9016 38 I 4.6704 8.7957 127.4835 60.1242 38.8754 174.7240 39 F 5.3333 9.4149 126.0318 55.7770 41.8551 174.6701 40 I 4.6718 9.0516 125.0773 60.7849 38.8196 175.5285 41 T 4.8403 9.0653 121.5283 60.9489 68.7266 175.3122 42 K 4.2451 8.7259 126.3613 58.8624 32.0399 177.9670 43 R 3.9601 8.1404 118.7236 57.9070 30.2959 176.8682 44 G 4.0230 8.6220 105.8852 45.1254 0.0000 172.9931 45 L 4.8158 7.6489 119.3044 52.9484 44.3089 175.3354 46 K 4.8165 8.4931 120.5758 55.7777 34.3754 175.9026 47 V 4.6555 9.2974 122.9333 61.2947 35.3983 173.2624 48 C 5.4656 8.8759 122.1489 55.1631 37.6825 172.8219 49 A 5.4820 9.2915 124.9289 49.8172 22.9750 174.4591 50 D 4.6600 8.5863 119.8685 53.5288 41.5785 175.8042 51 P 4.2752 0.0000 0.0000 64.6076 31.6103 177.0159 52 Q 4.3113 7.6463 114.7935 55.7206 29.1319 176.0849 53 A 4.1862 7.7455 122.6114 52.2484 19.9600 178.8135 54 T 3.8227 8.6113 121.4132 66.4339 68.6486 176.9945 55 W 4.4165 8.1575 118.2586 59.3389 28.2611 178.6157 56 V 2.4931 6.3629 118.5527 65.4855 30.8838 177.9691 57 R 3.6384 8.0187 118.1665 59.2997 29.7575 178.7852 58 D 4.3339 8.0050 118.5664 57.6420 40.7798 178.2130 59 C 4.3416 8.0459 117.1155 59.7037 35.4469 176.5389 60 V 3.0713 8.5958 121.4882 64.2890 30.7543 178.2443 61 R 4.1578 7.7283 117.9658 57.9040 30.2535 178.6748 62 S 4.1123 8.1799 113.5646 61.8018 62.2249 176.1953 63 M 4.2331 8.3625 120.4276 58.3096 31.9993 177.9046 64 D 4.5785 8.1005 118.5678 57.4394 41.3175 178.3563 65 R 4.2151 8.2240 120.9187 58.6260 29.8669 178.3618 66 K 4.1845 7.9309 117.1277 58.4017 32.2097 178.4660 67 S 4.5002 7.6627 113.7979 59.3582 63.4626 175.6875 68 N 4.4478 7.8274 120.2493 55.4556 38.4860 175.0489 69 T 4.4333 7.2242 112.7436 61.2761 68.5047 174.9291 70 R 4.2549 7.9666 126.9368 54.0190 28.7485 174.1569 71 N 4.2317 7.5339 111.9754 52.9711 40.1406 173.0158 72 N 4.7276 8.5774 122.4931 51.2848 39.7391 174.9656 73 M 4.1638 8.4658 124.6353 54.5049 31.0124 175.3336 74 I 4.2232 7.8897 119.5122 59.1622 37.2790 176.0050 75 Q 4.0359 8.1378 126.8784 56.5739 29.1389 174.4273 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 2 G 8.34 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 3 S 6.31 4.39 0.00 3.99 3.99 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 4 E 8.89 4.03 0.00 1.96 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 2.33 2.42 0.00 5 V 6.95 4.57 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 0.66 0.00 0.00 0.93 0.00 0.00 6 S 8.91 4.42 0.00 3.76 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 7 D 7.98 4.37 0.00 2.98 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 8 K 8.66 3.77 0.00 1.85 1.69 0.00 1.60 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.50 7.81 9 R 7.94 4.47 0.00 1.84 1.98 0.00 3.18 0.00 0.00 3.33 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 10 T 8.46 4.13 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 1.22 0.00 0.00 11 C 7.51 5.05 0.00 3.00 3.01 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 12 V 8.34 4.07 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 0.75 0.00 0.00 0.94 0.00 0.00 13 S 7.92 4.76 0.00 3.99 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 14 L 8.19 4.92 0.00 1.63 1.61 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 15 T 9.09 4.36 4.47 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 1.42 0.00 0.00 16 T 8.54 4.36 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 1.29 0.00 0.00 17 Q 7.95 4.26 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.85 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 18 R 7.69 2.54 0.00 1.19 0.66 0.00 2.70 0.00 0.00 3.05 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.19 0.00 19 L 5.62 4.57 0.00 1.48 1.45 1.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.22 0.00 2.14 1.92 0.00 3.51 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.99 0.00 21 C 8.78 4.43 0.00 3.02 3.11 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 0.00 0.00 0.00 0.00 22 S 7.97 4.09 0.00 4.03 3.98 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 23 R 8.05 4.30 0.00 2.03 2.02 0.00 3.10 0.00 0.00 3.17 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 24 I 7.28 4.20 2.06 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 1.27 0.67 1.22 0.00 0.00 25 K 9.28 4.29 0.00 1.86 1.97 0.00 1.88 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.56 7.81 26 T 7.50 4.64 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 1.21 0.00 0.00 27 Y 8.07 5.20 0.00 2.02 2.42 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 28 T 8.92 4.49 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 1.16 0.00 0.00 29 I 8.59 4.69 1.91 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 1.29 0.73 0.88 0.00 0.00 30 T 9.04 4.54 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 1.22 0.00 0.00 31 E 8.38 4.92 0.00 1.84 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 2.20 2.27 0.00 32 G 8.30 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 33 S 9.20 4.37 0.00 3.86 3.91 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 0.00 0.00 0.00 34 L 7.72 4.44 0.00 1.57 1.56 0.92 0.87 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 35 R 8.72 5.12 0.00 1.84 1.80 0.00 3.02 0.00 0.00 3.85 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 36 A 8.65 4.88 1.21 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 0.00 0.00 0.00 37 V 8.16 4.53 1.89 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 0.83 0.00 0.00 0.20 0.00 0.00 38 I 8.80 4.67 1.82 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.50 0.98 0.00 0.00 39 F 9.41 5.33 0.00 2.99 3.01 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 40 I 9.05 4.67 1.94 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 1.15 0.86 0.99 0.00 0.00 41 T 9.07 4.84 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 1.35 0.00 0.00 42 K 8.73 4.25 0.00 1.96 1.85 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.42 7.81 43 R 8.14 3.96 0.00 1.83 1.96 0.00 3.27 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 44 G 8.62 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 0.00 0.00 0.00 45 L 7.65 4.82 0.00 1.64 1.61 0.94 0.86 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 46 K 8.49 4.82 0.00 1.79 1.83 0.00 1.55 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.39 7.81 47 V 9.30 4.66 2.37 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 1.07 0.00 0.00 1.02 0.00 0.00 48 C 8.88 5.47 0.00 3.06 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 49 A 9.29 5.48 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.59 4.66 0.00 2.82 2.58 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 0.00 0.00 0.00 0.00 51 P 0.00 4.28 0.00 2.02 2.01 0.00 3.68 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 2.14 2.10 0.00 52 Q 7.65 4.31 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 53 A 7.75 4.19 1.19 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 0.00 0.00 54 T 8.61 3.82 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 55 W 8.16 4.42 0.00 3.58 3.29 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 56 V 6.36 2.49 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 1.06 0.00 0.00 -0.48 0.00 0.00 57 R 8.02 3.64 0.00 1.96 1.90 0.00 3.14 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.83 0.00 58 D 8.01 4.33 0.00 2.96 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 59 C 8.05 4.34 0.00 2.67 3.03 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 60 V 8.60 3.07 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 -0.33 0.00 0.00 61 R 7.73 4.16 0.00 1.94 2.00 0.00 3.29 0.00 0.00 3.09 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 62 S 8.18 4.11 0.00 4.05 4.06 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 63 M 8.36 4.23 0.00 2.21 2.64 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 2.97 3.07 0.00 64 D 8.10 4.58 0.00 3.06 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 65 R 8.22 4.22 0.00 2.08 2.17 0.00 3.21 0.00 0.00 3.29 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.55 0.00 66 K 7.93 4.18 0.00 2.01 1.88 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.83 7.81 67 S 7.66 4.50 0.00 4.07 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 68 N 7.83 4.45 0.00 2.93 2.87 0.00 0.00 6.49 8.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 T 7.22 4.43 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 70 R 7.97 4.25 0.00 1.81 1.88 0.00 3.35 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 71 N 7.53 4.23 0.00 2.60 2.69 0.00 0.00 7.09 7.80 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 72 N 8.58 4.73 0.00 2.70 2.72 0.00 0.00 7.12 7.85 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 73 M 8.47 4.16 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 74 I 7.89 4.22 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.76 0.90 0.00 0.00 75 Q 8.14 4.04 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.69 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00