NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4264 8.3044 118.1934 54.7740 32.7098 174.6941 2 V 3.4539 8.6953 122.4285 65.1445 31.4002 174.7210 3 I 4.4572 7.8984 122.8844 59.5398 40.1823 174.3265 4 A 4.6219 8.7664 128.8868 50.4140 21.0171 177.9725 5 T 3.8684 8.4217 115.8375 66.9468 68.4493 176.5601 6 D 4.7374 7.8749 117.2205 54.4769 39.5916 176.4735 7 D 4.5828 7.9576 119.3268 55.6131 41.6076 176.8811 8 L 4.5511 7.7664 118.3745 55.4652 43.6297 176.2881 9 E 5.0512 8.5936 117.3213 54.3456 33.6337 175.2433 10 V 4.5481 8.7078 122.6417 60.7411 34.1107 174.7358 11 A 4.3692 8.5510 129.8145 51.8806 19.1899 176.4689 12 C 4.2120 8.6984 124.0127 59.1014 32.1043 172.6671 13 P 4.4971 0.0000 0.0000 63.8536 31.4157 177.2043 14 K 4.2034 7.9315 118.9641 57.9201 32.5379 176.5473 15 C 4.7436 7.5178 110.0136 56.6204 30.8416 173.6590 16 E 3.6375 8.9702 118.5065 57.9188 26.8488 175.3288 17 R 4.2567 8.4496 116.0260 56.3848 28.8985 176.2455 18 A 4.1009 7.6361 120.0259 53.9515 19.2624 177.4663 19 G 4.3074 8.6848 105.0756 45.3990 0.0000 173.0542 20 E 4.9072 7.6846 117.2128 54.0654 31.9121 175.3975 21 I 4.2834 9.0023 124.5169 60.3850 38.2714 175.7568 22 E 3.8759 10.0595 126.2589 57.1663 27.0373 175.7894 23 G 4.0487 8.7017 107.8257 45.1950 0.0000 174.4133 24 T 4.4868 7.7115 110.0357 58.9736 70.4441 172.5539 25 P 4.4032 0.0000 0.0000 63.1090 32.0065 175.6387 26 C 4.3097 8.6227 123.4475 58.4425 32.0375 172.5602 27 P 4.2316 0.0000 0.0000 65.3657 30.6776 177.0822 28 A 4.1337 7.4099 121.3759 54.6089 19.0228 177.3948 29 C 4.3605 7.9313 106.9758 57.5913 30.6134 173.9159 30 S 3.5290 9.0025 115.6944 59.7871 60.4710 173.3508 31 G 4.3316 8.4207 108.3523 45.4806 0.0000 175.4337 32 K 3.9841 7.6956 118.5070 57.5255 32.4596 178.4289 33 G 4.0280 9.9366 106.3754 44.9148 0.0000 172.6669 34 V 4.8944 7.1616 117.3115 60.4036 34.4755 173.5689 35 I 4.5602 8.9183 124.3841 59.4389 39.9350 175.0036 36 L 4.5928 8.4163 126.8035 54.6566 42.5000 176.9019 37 T 4.3951 8.6478 113.3118 60.6508 70.7065 175.5810 38 A 4.1244 8.8093 123.4442 55.5025 18.3578 179.5978 39 Q 4.0104 8.1791 117.5262 59.3580 29.2040 178.7444 40 G 3.5353 8.0409 106.6388 48.0326 0.0000 175.2669 41 Y 4.2256 8.2734 119.7134 61.0198 37.8514 178.8356 42 T 3.9538 8.2697 116.7297 66.6204 68.5110 176.5343 43 L 4.0187 7.7954 120.2893 57.8679 41.6610 179.3053 44 L 3.9959 8.0375 120.0838 58.4827 42.1113 178.8314 45 D 4.4474 8.7356 119.2447 57.1002 40.8790 178.5289 46 F 4.2435 8.4164 121.3056 61.3672 39.4697 177.3489 47 I 3.5701 8.2210 119.5853 64.6234 36.7857 178.5471 48 Q 4.2010 8.2251 117.6737 58.6438 28.5039 178.5045 49 K 4.0543 7.7922 119.7972 58.6605 32.2236 177.5934 50 H 4.6101 7.7390 114.5035 54.7351 29.9100 174.5308 51 L 4.0599 7.7670 123.7549 56.2214 42.1939 176.1530 52 N 4.1866 8.7200 123.0008 54.4205 36.3132 174.0601 53 K 4.1218 7.5888 122.5412 56.5189 32.3138 175.2717 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 8.30 4.43 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 2 V 8.70 3.45 2.07 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 0.77 0.00 0.00 0.92 0.00 0.00 3 I 7.90 4.46 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.77 0.90 0.00 0.00 4 A 8.77 4.62 1.28 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 0.00 0.00 0.00 5 T 8.42 3.87 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 1.20 0.00 0.00 6 D 7.87 4.74 0.00 2.75 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 7 D 7.96 4.58 0.00 2.81 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 8 L 7.77 4.55 0.00 1.66 1.63 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.59 5.05 0.00 1.82 1.75 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 2.14 2.15 0.00 10 V 8.71 4.55 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 0.83 0.00 0.00 0.93 0.00 0.00 11 A 8.55 4.37 1.23 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 12 C 8.70 4.21 0.00 3.06 2.94 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 13 P 0.00 4.50 0.00 2.08 2.08 0.00 3.73 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.16 0.00 14 K 7.93 4.20 0.00 1.72 1.83 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.42 7.81 15 C 7.52 4.74 0.00 3.08 3.07 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 16 E 8.97 3.64 0.00 2.16 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 2.24 2.23 0.00 17 R 8.45 4.26 0.00 1.94 2.13 0.00 3.22 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00 18 A 7.64 4.10 1.29 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 0.00 0.00 19 G 8.68 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 0.00 0.00 0.00 0.00 20 E 7.68 4.91 0.00 1.94 1.85 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 2.21 2.29 0.00 21 I 9.00 4.28 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 1.30 0.77 0.91 0.00 0.00 22 E 10.06 3.88 0.00 2.07 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 0.00 2.23 2.28 0.00 23 G 8.70 4.05 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 0.00 0.00 0.00 24 T 7.71 4.49 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 25 P 0.00 4.40 0.00 2.06 2.06 0.00 3.68 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 2.03 2.09 0.00 26 C 8.62 4.31 0.00 2.96 2.95 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 0.00 0.00 0.00 27 P 0.00 4.23 0.00 2.08 2.10 0.00 3.73 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 28 A 7.41 4.13 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 29 C 7.93 4.36 0.00 3.31 3.18 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 0.00 30 S 9.00 3.53 0.00 4.04 3.97 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 31 G 8.42 4.33 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 0.00 32 K 7.70 3.98 0.00 1.98 1.87 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.53 7.81 33 G 9.94 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 0.00 0.00 0.00 34 V 7.16 4.89 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 0.65 0.00 0.00 1.02 0.00 0.00 35 I 8.92 4.56 1.88 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 1.24 0.81 0.95 0.00 0.00 36 L 8.42 4.59 0.00 0.50 0.95 0.34 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.65 4.40 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 38 A 8.81 4.12 1.39 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 0.00 0.00 39 Q 8.18 4.01 0.00 2.18 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 40 G 8.04 3.54 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 0.00 41 Y 8.27 4.23 0.00 3.23 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 42 T 8.27 3.95 4.44 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 1.22 0.00 0.00 43 L 7.80 4.02 0.00 1.91 1.77 0.92 0.24 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 44 L 8.04 4.00 0.00 2.01 1.76 0.89 1.12 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 45 D 8.74 4.45 0.00 2.94 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 46 F 8.42 4.24 0.00 3.23 3.35 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 0.00 47 I 8.22 3.57 1.93 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.74 0.92 0.00 0.00 48 Q 8.23 4.20 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.99 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 49 K 7.79 4.05 0.00 1.79 2.03 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.11 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.08 1.35 7.81 50 H 7.74 4.61 0.00 2.77 3.06 0.00 5.68 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.77 4.06 0.00 1.61 1.56 0.91 1.04 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 52 N 8.72 4.19 0.00 2.87 2.85 0.00 0.00 6.86 7.61 0.00 0.00 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 K 7.59 4.12 0.00 1.67 1.59 0.00 1.88 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.30 7.81