NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4583 8.2629 118.3255 55.1052 33.4056 174.6946 2 Q 4.4588 8.4359 122.7156 53.5180 29.5746 172.0104 3 I 4.4776 9.0761 120.2670 57.9817 41.8136 173.8645 4 F 5.3750 8.8071 118.8096 56.0498 43.5050 174.8363 5 V 4.7773 9.2036 124.4117 61.3622 32.9804 174.0593 6 K 4.4546 8.9661 129.9366 54.5600 32.3570 175.4208 7 T 4.0614 8.8243 117.7308 60.2641 70.3018 174.2146 8 L 4.5306 8.3125 121.0480 55.5445 41.7730 176.5359 9 T 4.5358 7.8631 104.2476 60.5650 69.3583 173.6341 10 G 4.0714 8.6048 113.8209 46.2289 0.0000 175.3873 11 K 4.1971 7.4013 122.4920 55.7275 32.9503 180.0319 12 T 4.8602 8.4552 119.4746 61.4510 71.2994 173.3655 13 I 4.4891 8.3869 127.1659 60.0257 39.7167 174.7467 14 T 4.8265 8.5122 123.1263 62.1746 69.6239 174.0166 15 L 4.7375 8.4001 126.3243 52.6932 45.5497 175.4825 16 E 4.8411 8.6556 122.2568 54.7678 30.9902 175.1475 17 V 4.6179 8.5138 121.8594 60.2655 36.0944 175.6426 18 E 4.7152 9.1103 119.9227 54.3687 32.0110 176.3551 19 P 4.2515 0.0000 0.0000 64.6791 31.5850 177.8724 20 S 4.5810 7.8303 111.4089 57.8516 63.6436 173.4208 21 D 4.5936 8.1731 122.8641 54.0304 41.6879 176.6737 22 T 4.7124 8.1808 114.3098 61.2570 71.2048 175.7929 23 I 3.8387 8.3661 124.1252 65.0435 36.8430 179.3325 24 E 4.0082 8.1952 118.7846 61.0212 29.4980 181.5728 25 N 4.5541 7.9065 116.2403 56.3029 38.6560 177.7410 26 V 3.5311 7.6527 119.2654 66.0597 31.8194 178.2641 27 K 4.4259 8.6429 119.6094 58.8467 31.5728 179.2216 28 A 4.0235 7.4996 120.4795 55.0863 18.2502 179.5728 29 K 4.0841 8.0372 117.0783 59.5121 31.9550 179.7393 30 I 3.7394 7.9230 120.3372 64.2639 36.8984 178.2072 31 Q 4.0917 8.0321 120.1180 59.1839 28.6095 178.0008 32 D 4.5122 7.8283 121.3980 56.6165 40.8618 177.8056 33 K 4.6417 7.4233 117.9503 54.1694 31.3079 180.2540 34 E 4.6318 7.7932 116.2533 56.1914 33.5870 176.8716 35 G 3.7980 8.4100 106.2295 45.9566 0.0000 173.1784 36 I 4.1678 7.0001 119.9201 58.7827 37.6698 174.2692 37 P 4.3016 0.0000 0.0000 62.2510 31.5545 175.8374 38 P 4.4458 0.0000 0.0000 65.4184 31.3968 177.5850 39 D 4.6408 8.0154 115.1199 54.4936 40.0906 176.4957 40 Q 4.6286 8.4689 119.4379 55.9523 30.2445 174.9854 41 Q 4.9951 8.0465 118.9241 54.9066 32.3840 175.3350 42 R 4.9305 8.4495 119.7937 55.1379 34.1598 174.6473 43 L 5.1548 8.4744 121.8253 52.5610 44.6184 175.2975 44 I 4.9628 8.5430 124.2013 59.4995 40.2592 174.5260 45 F 4.9746 9.0537 127.9670 57.4140 43.0719 174.0823 46 A 3.4233 8.8371 126.6010 52.8269 16.0050 176.9375 47 G 3.7535 9.5778 106.1887 47.7075 0.0000 175.0897 48 K 4.5726 7.6518 118.8837 52.6390 36.1244 177.1451 49 Q 4.6717 8.5380 125.0385 55.2792 29.7858 175.2291 50 L 3.8736 8.5757 129.8022 54.7664 42.3487 177.2842 51 E 4.4029 9.7383 122.7191 56.1747 30.7013 174.7997 52 D 4.5240 9.0594 123.0696 55.6257 41.3261 177.8283 53 G 3.7566 7.7640 108.1684 47.7602 0.0000 174.6977 54 R 4.1709 7.8702 118.9256 55.9526 31.2051 174.4717 55 T 5.3018 7.8756 107.5791 60.0246 71.5186 174.5529 56 L 4.2106 8.2695 120.1181 58.0840 41.6381 179.5567 57 S 4.2828 8.0609 114.1698 61.4033 62.6249 176.3861 58 D 4.2697 7.5922 121.7457 57.2275 40.6964 177.5279 59 Y 4.3989 7.3445 112.1785 57.0897 38.7129 174.6503 60 N 4.1240 7.8266 116.8697 54.5557 37.6631 174.7773 61 I 3.7578 8.3486 121.6540 61.3692 37.3532 177.3061 62 Q 4.4722 8.4469 127.0797 53.5157 30.1647 171.9602 63 K 4.1099 8.3906 118.7589 58.1191 32.0906 173.9764 64 E 4.2118 8.4645 116.5014 56.4750 28.1244 174.8666 65 S 4.7499 7.5473 114.4710 59.7427 64.5654 173.2335 66 T 5.2283 8.4614 115.3109 60.7548 69.7634 173.1490 67 L 4.8496 9.3051 129.0654 53.9538 44.6458 175.0426 68 H 5.4011 8.7851 118.0288 54.0750 31.4407 173.0916 69 L 4.9223 8.2412 126.0400 53.7875 43.1305 175.8869 70 V 4.3290 8.6050 126.4606 60.6835 33.6335 174.6420 71 L 4.3249 8.7685 130.3131 55.5997 42.5099 178.3714 72 R 4.3223 8.9159 121.7570 57.0455 29.9375 175.4495 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 8.26 4.46 0.00 2.08 2.22 0.00 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.65 0.00 2 Q 8.44 4.46 0.00 1.85 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.62 0.00 0.00 0.00 0.00 0.00 2.35 1.99 0.00 3 I 9.08 4.48 1.88 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.51 0.80 0.00 0.00 4 F 8.81 5.37 0.00 2.94 2.91 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 5 V 9.20 4.78 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 0.94 0.00 0.00 0.92 0.00 0.00 6 K 8.97 4.45 0.00 1.51 1.72 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.37 1.26 7.81 7 T 8.82 4.06 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 8 L 8.31 4.53 0.00 1.75 1.69 0.99 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.86 4.54 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 10 G 8.60 4.07 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 0.00 0.00 0.00 11 K 7.40 4.20 0.00 1.29 1.71 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.37 1.30 7.81 12 T 8.46 4.86 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 1.29 0.00 0.00 13 I 8.39 4.49 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 1.25 0.79 0.92 0.00 0.00 14 T 8.51 4.83 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 1.06 0.00 0.00 15 L 8.40 4.74 0.00 1.47 1.45 0.88 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.66 4.84 0.00 1.87 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 2.13 2.24 0.00 17 V 8.51 4.62 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 0.64 0.00 0.00 0.85 0.00 0.00 18 E 9.11 4.72 0.00 1.64 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 0.00 2.16 2.14 0.00 19 P 0.00 4.25 0.00 2.15 2.11 0.00 3.52 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 20 S 7.83 4.58 0.00 3.95 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.17 4.59 0.00 2.83 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 8.18 4.71 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 1.22 0.00 0.00 23 I 8.37 3.84 1.99 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 1.70 1.15 0.89 0.00 0.00 24 E 8.20 4.01 0.00 1.97 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 1.97 0.00 25 N 7.91 4.55 0.00 2.94 2.87 0.00 0.00 6.54 8.73 0.00 0.00 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 V 7.65 3.53 2.18 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 0.99 0.00 0.00 0.92 0.00 0.00 27 K 8.64 4.43 0.00 1.81 1.89 0.00 1.83 0.00 0.00 1.92 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.55 1.50 7.81 28 A 7.50 4.02 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 29 K 8.04 4.08 0.00 1.96 1.84 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.69 7.81 30 I 7.92 3.74 2.14 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 1.39 1.66 0.91 0.00 0.00 31 Q 8.03 4.09 0.00 2.24 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 32 D 7.83 4.51 0.00 2.85 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 33 K 7.42 4.64 0.00 1.70 1.64 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.28 1.24 7.81 34 E 7.79 4.63 0.00 2.09 1.93 0.00 0.00 0.00 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 2.25 0.00 35 G 8.41 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 0.00 0.00 0.00 0.00 36 I 7.00 4.17 1.87 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 1.43 0.89 0.91 0.00 0.00 37 P 0.00 4.30 0.00 2.17 2.05 0.00 3.61 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.12 0.00 38 P 0.00 4.45 0.00 2.17 2.11 0.00 3.58 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 39 D 8.02 4.64 0.00 2.76 2.78 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 0.00 0.00 0.00 40 Q 8.47 4.63 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 41 Q 8.05 5.00 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.26 0.00 42 R 8.45 4.93 0.00 1.44 1.76 0.00 3.22 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.45 0.00 43 L 8.47 5.15 0.00 1.51 1.54 0.88 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.54 4.96 1.91 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 1.13 0.96 0.91 0.00 0.00 45 F 9.05 4.97 0.00 3.03 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 46 A 8.84 3.42 0.92 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 0.00 0.00 47 G 9.58 3.75 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 0.00 0.00 0.00 48 K 7.65 4.57 0.00 1.60 1.61 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.28 1.24 7.81 49 Q 8.54 4.67 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.90 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 50 L 8.58 3.87 0.00 1.39 1.21 0.70 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.74 4.40 0.00 1.61 1.82 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 2.24 2.16 0.00 52 D 9.06 4.52 0.00 2.66 2.77 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 53 G 7.76 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 0.00 0.00 0.00 54 R 7.87 4.17 0.00 2.05 1.70 0.00 3.09 0.00 0.00 3.35 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.34 0.00 55 T 7.88 5.30 4.36 0.00 0.00 0.00 0.00 0.00 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 56 L 8.27 4.21 0.00 1.90 1.70 0.90 0.81 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 57 S 8.06 4.28 0.00 4.07 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 58 D 7.59 4.27 0.00 2.61 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.34 4.40 0.00 2.99 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 60 N 7.83 4.12 0.00 2.93 3.02 0.00 0.00 7.14 7.68 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 61 I 8.35 3.76 1.82 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 -0.36 0.73 0.00 0.00 62 Q 8.45 4.47 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 7.07 0.00 0.00 0.00 0.00 0.00 2.30 1.91 0.00 63 K 8.39 4.11 0.00 1.77 1.63 0.00 1.88 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.00 7.81 64 E 8.46 4.21 0.00 2.11 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 2.14 2.14 0.00 65 S 7.55 4.75 0.00 3.85 3.88 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 66 T 8.46 5.23 4.36 0.00 0.00 0.00 0.00 0.00 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 67 L 9.31 4.85 0.00 1.59 1.58 0.81 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.79 5.40 0.00 3.17 3.21 0.00 5.80 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.24 4.92 0.00 1.60 1.59 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.61 4.33 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 0.93 0.00 0.00 0.94 0.00 0.00 71 L 8.77 4.32 0.00 1.57 1.59 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.92 4.32 0.00 1.49 1.63 0.00 3.30 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.41 0.00