NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.7100 8.4249 118.1245 52.8988 40.2995 174.1418 2 I 3.6612 7.8043 119.4594 60.3549 37.6873 174.5446 3 S 4.1025 8.5619 121.5865 59.0953 63.1337 173.0933 4 Q 4.5758 8.2721 124.7006 54.4876 30.9373 173.6963 5 H 5.0140 8.2001 111.9689 54.8090 31.7033 171.3810 6 Q 4.5119 8.1055 118.4750 55.8037 31.3171 173.5069 7 C 4.7533 8.5351 114.7224 56.0528 41.5265 173.7223 8 V 4.1680 8.2577 120.7689 63.2219 33.3570 175.8084 9 K 4.7115 7.7855 118.3435 55.8322 33.2271 175.7110 10 K 4.4970 8.0144 118.7511 54.3800 34.7383 175.0617 11 Q 4.2414 8.6639 125.5984 55.8569 29.1894 176.0744 12 C 4.9891 8.3281 119.4054 54.2504 44.4384 171.9931 13 P 4.5361 0.0000 0.0000 62.7619 31.5694 176.2579 14 Q 4.2878 8.4226 115.2821 56.8185 29.0382 175.8559 15 N 4.7658 7.8806 115.0466 53.0712 38.6326 173.7160 16 S 4.4981 7.5159 114.4215 56.9837 67.5221 173.3846 17 G 4.5245 8.7060 106.4574 44.2148 0.0000 169.8043 18 C 5.0488 8.3549 115.5619 55.5533 44.0166 174.8697 19 F 4.7274 8.1209 109.6157 56.1217 40.1099 172.8940 20 R 4.2201 8.5946 123.0636 55.5613 30.6113 175.7484 21 H 4.2409 8.6746 124.5503 55.4331 29.3717 176.6677 22 L 4.1385 8.4675 119.8568 57.5995 41.4887 177.8151 23 D 4.7388 7.9981 117.1107 53.9465 41.3030 175.9923 24 E 3.6045 7.8196 114.9893 57.8604 27.3452 175.9971 25 R 4.4174 7.3609 118.3213 54.3562 33.1245 174.2594 26 E 4.3300 8.6379 126.5856 56.1412 30.5394 176.6509 27 E 4.3112 8.4731 124.8235 54.3020 31.6487 173.7000 28 C 4.9706 8.6976 124.7808 56.3750 34.4165 172.1105 29 K 4.7205 8.0792 123.3254 54.2522 34.5779 175.8703 30 C 4.4336 8.6701 123.1121 56.2822 39.4569 173.7368 31 L 4.0641 7.9625 121.5194 54.8770 41.6618 177.7739 32 L 4.1167 8.4038 117.5652 56.5719 41.7209 177.5626 33 N 4.9466 7.9741 116.8343 52.9899 39.0163 174.1348 34 Y 5.1043 7.7726 115.5085 55.1292 39.7276 175.5685 35 K 4.1560 8.4195 125.1834 54.7724 31.1940 176.6482 36 Q 3.9275 8.6700 125.7799 56.8016 29.1380 176.6165 37 E 4.4001 9.0022 126.0947 57.2872 32.3626 176.2871 38 G 4.2017 8.3853 100.8616 46.0033 0.0000 172.9361 39 D 5.0378 9.1285 117.7882 52.9302 42.5092 175.4453 40 K 4.5332 7.6103 114.8304 55.9453 34.9876 175.6168 41 C 4.7837 8.5292 117.6450 56.5485 36.0375 174.0590 42 V 4.3778 8.3512 115.8835 59.4919 33.8943 174.9198 43 E 3.2587 8.4444 126.0898 56.1354 26.0860 174.3029 44 N 4.0217 8.0542 121.9351 53.2230 36.7445 172.6377 45 P 4.3285 0.0000 0.0000 64.1027 32.5465 177.2679 46 N 4.9652 7.0857 117.0291 51.1323 38.2660 171.8227 47 P 4.7417 0.0000 0.0000 64.9999 32.4411 177.5881 48 T 4.0957 7.7619 118.9961 63.5908 68.4564 174.2261 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 N 8.42 4.71 0.00 2.71 2.91 0.00 0.00 6.98 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 I 7.80 3.66 1.85 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 1.40 0.08 0.89 0.00 0.00 3 S 8.56 4.10 0.00 3.85 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 4 Q 8.27 4.58 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.84 0.00 0.00 0.00 0.00 0.00 2.23 2.37 0.00 5 H 8.20 5.01 0.00 3.21 3.30 0.00 5.56 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 6 Q 8.11 4.51 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.89 0.00 0.00 0.00 0.00 0.00 2.28 2.59 0.00 7 C 8.54 4.75 0.00 2.99 2.96 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 0.00 0.00 0.00 8 V 8.26 4.17 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 0.84 0.00 0.00 0.93 0.00 0.00 9 K 7.79 4.71 0.00 1.70 1.71 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.33 7.81 10 K 8.01 4.50 0.00 1.76 1.61 0.00 1.64 0.00 0.00 1.86 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.26 1.45 7.81 11 Q 8.66 4.24 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.56 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 12 C 8.33 4.99 0.00 2.88 2.90 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 13 P 0.00 4.54 0.00 2.13 2.04 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.91 0.00 14 Q 8.42 4.29 0.00 2.18 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.41 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 15 N 7.88 4.77 0.00 2.62 2.72 0.00 0.00 7.19 7.72 0.00 0.00 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 S 7.52 4.50 0.00 3.72 3.78 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 17 G 8.71 4.52 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 0.00 0.00 0.00 18 C 8.35 5.05 0.00 3.01 3.17 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 0.00 0.00 0.00 0.00 19 F 8.12 4.73 0.00 3.07 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 20 R 8.59 4.22 0.00 1.95 1.75 0.00 3.33 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 21 H 8.67 4.24 0.00 3.15 3.14 0.00 5.67 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.47 4.14 0.00 1.67 1.77 0.97 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.00 4.74 0.00 2.62 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 7.82 3.60 0.00 2.10 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 2.23 2.21 0.00 25 R 7.36 4.42 0.00 1.77 1.69 0.00 3.10 0.00 0.00 3.28 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 26 E 8.64 4.33 0.00 1.79 1.76 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 2.24 2.25 0.00 27 E 8.47 4.31 0.00 1.80 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 2.30 2.34 0.00 28 C 8.70 4.97 0.00 2.90 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 29 K 8.08 4.72 0.00 1.92 1.75 0.00 1.77 0.00 0.00 1.88 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.47 7.81 30 C 8.67 4.43 0.00 2.91 2.88 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 31 L 7.96 4.06 0.00 1.90 1.72 0.91 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.40 4.12 0.00 1.65 1.73 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 33 N 7.97 4.95 0.00 2.73 2.71 0.00 0.00 6.77 7.40 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 34 Y 7.77 5.10 0.00 2.97 2.90 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 35 K 8.42 4.16 0.00 1.75 1.81 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.77 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.40 7.81 36 Q 8.67 3.93 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.78 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 37 E 9.00 4.40 0.00 1.97 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 2.23 2.29 0.00 38 G 8.39 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 39 D 9.13 5.04 0.00 2.62 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.61 4.53 0.00 1.84 1.75 0.00 1.59 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.46 7.81 41 C 8.53 4.78 0.00 3.03 3.17 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 0.00 0.00 0.00 0.00 42 V 8.35 4.38 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 1.03 0.00 0.00 0.95 0.00 0.00 43 E 8.44 3.26 0.00 1.42 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.57 0.00 44 N 8.05 4.02 0.00 2.79 2.60 0.00 0.00 6.79 7.79 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 45 P 0.00 4.33 0.00 2.20 2.15 0.00 3.70 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 46 N 7.09 4.97 0.00 2.70 2.72 0.00 0.00 7.19 7.56 0.00 0.00 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 P 0.00 4.74 0.00 2.19 2.26 0.00 3.45 0.00 0.00 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 48 T 7.76 4.10 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