NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.7456 8.1700 119.7111 53.0914 41.1976 175.7370 2 H 3.7923 8.8135 117.7955 58.7071 29.5460 174.8365 3 Y 3.9625 8.9086 122.1348 60.9955 39.2018 177.3909 4 N 4.3779 9.1180 117.7386 56.2716 38.5411 176.5853 5 C 4.1454 8.4101 120.1996 59.8204 44.3771 175.9167 6 V 3.3831 8.0788 120.0891 65.9384 30.8616 177.9326 7 S 3.8962 7.6454 113.8316 61.5119 62.7722 175.9650 8 A 4.2684 7.6059 119.8515 52.1846 18.3992 178.1074 9 G 3.7229 7.9997 105.7633 45.5121 0.0000 174.0999 10 G 3.9565 7.8689 107.4407 45.3330 0.0000 173.1410 11 Q 4.7287 8.7901 120.6991 54.2081 31.8848 173.6091 12 C 4.9081 8.7590 124.0190 56.3159 36.3553 173.0104 13 L 4.9376 8.8281 124.0211 53.2098 44.8554 177.7554 14 Y 4.1947 9.1207 120.7500 60.0212 38.4676 175.5502 15 S 4.7610 7.7403 113.2366 56.3541 65.7022 173.3803 16 A 4.1809 8.2680 122.2489 52.3642 18.6828 178.2491 17 C 4.3865 8.4994 118.2340 56.1010 35.0985 172.5867 18 P 4.4416 0.0000 0.0000 61.7829 31.9687 175.0939 19 I 3.5636 7.8095 118.4101 62.5042 38.0011 175.6752 20 F 4.2472 8.6350 124.5048 57.7333 36.1913 174.1217 21 T 4.9434 7.5960 109.6747 59.8064 71.8344 172.9772 22 K 4.7234 8.0873 119.8117 54.9965 36.6459 174.9985 23 I 4.1439 8.2642 121.3861 61.1141 38.4431 176.2628 24 Q 4.3792 8.7652 127.2879 54.1740 28.7740 174.9610 25 G 3.7461 8.3464 108.5285 44.3440 0.0000 170.1076 26 T 5.0242 8.0075 107.0741 60.0317 72.1294 172.8176 27 C 4.6117 8.0152 118.0047 55.9423 44.9255 173.1047 28 Y 3.8302 8.7238 115.7579 60.3241 34.0261 170.5737 29 R 3.8377 8.8567 111.6425 57.3542 28.3781 178.1404 30 G 3.9362 8.4043 102.6623 45.9836 0.0000 175.3282 31 K 4.1848 8.0329 118.7773 57.4527 32.6594 176.2777 32 A 4.6474 7.9034 120.0515 49.7690 22.7807 174.9825 33 K 4.5962 8.9317 118.2680 55.0294 35.1358 175.2628 34 C 4.9851 8.7121 123.9625 55.6521 45.3437 171.5347 35 C 5.5014 9.1899 124.8676 55.0118 42.5833 174.2231 36 K 4.1951 8.8564 124.5931 56.6907 31.8024 175.6416 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 D 8.17 4.75 0.00 2.97 2.92 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 2 H 8.81 3.79 0.00 3.37 3.47 0.00 5.68 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 8.91 3.96 0.00 3.14 3.12 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 0.00 0.00 0.00 4 N 9.12 4.38 0.00 2.77 2.87 0.00 0.00 6.74 7.32 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 5 C 8.41 4.15 0.00 2.97 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 6 V 8.08 3.38 1.90 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 0.96 0.00 0.00 0.79 0.00 0.00 7 S 7.65 3.90 0.00 3.83 3.72 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 0.00 0.00 0.00 0.00 8 A 7.61 4.27 1.32 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 0.00 0.00 0.00 9 G 8.00 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 G 7.87 3.96 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 0.00 0.00 0.00 11 Q 8.79 4.73 0.00 2.08 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.90 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 12 C 8.76 4.91 0.00 2.68 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 0.00 0.00 0.00 0.00 13 L 8.83 4.94 0.00 1.48 1.52 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 9.12 4.19 0.00 3.00 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 15 S 7.74 4.76 0.00 4.00 3.96 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 16 A 8.27 4.18 1.26 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 0.00 0.00 0.00 17 C 8.50 4.39 0.00 2.96 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 18 P 0.00 4.44 0.00 2.22 2.22 0.00 3.70 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 2.08 1.96 0.00 19 I 7.81 3.56 1.64 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.35 0.78 0.00 0.00 20 F 8.63 4.25 0.00 3.31 3.15 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 0.00 0.00 0.00 0.00 21 T 7.60 4.94 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 1.30 0.00 0.00 22 K 8.09 4.72 0.00 1.79 1.89 0.00 1.51 0.00 0.00 1.75 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.54 7.81 23 I 8.26 4.14 1.85 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 1.32 0.86 0.90 0.00 0.00 24 Q 8.77 4.38 0.00 1.83 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.17 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 25 G 8.35 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 26 T 8.01 5.02 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 1.18 0.00 0.00 27 C 8.02 4.61 0.00 1.88 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 0.00 0.00 0.00 28 Y 8.72 3.83 0.00 3.06 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 29 R 8.86 3.84 0.00 2.00 2.04 0.00 3.49 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 30 G 8.40 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 31 K 8.03 4.18 0.00 2.09 2.17 0.00 1.76 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.82 1.67 7.81 32 A 7.90 4.65 0.52 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 33 K 8.93 4.60 0.00 1.60 1.65 0.00 1.80 0.00 0.00 1.55 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.32 7.81 34 C 8.71 4.99 0.00 2.88 2.98 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 35 C 9.19 5.50 0.00 2.83 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 36 K 8.86 4.20 0.00 1.66 1.57 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.33 1.36 7.81