NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5551 8.3649 120.5257 53.4704 41.8492 172.7020 2 D 4.3839 6.6317 118.2291 53.1511 45.6661 173.2334 3 G 3.8826 8.0093 105.7151 46.5613 0.0000 170.0238 4 L 4.9073 8.1194 119.7127 53.1106 45.5585 175.5217 5 C 5.3729 8.4231 117.8492 55.5371 41.1838 172.2314 6 Y 5.2582 8.5305 121.0204 55.2336 41.7324 173.5154 7 E 4.9749 10.3033 117.1816 52.7692 32.5251 175.2800 8 G 4.4848 7.9004 111.5713 46.1159 0.0000 174.2978 9 T 4.5394 8.1167 120.7382 63.8189 69.9642 174.2226 10 N 4.7274 7.9864 121.0442 55.4274 38.7823 174.6568 11 C 4.9760 8.0123 114.7550 57.3131 41.3917 175.2328 12 G 4.0472 8.0299 106.7769 45.8640 0.0000 175.4176 13 K 4.1497 7.2281 120.4647 55.5086 31.7613 177.9200 14 V 3.6888 6.6768 117.3847 65.9603 31.8221 174.2994 15 G 4.1081 8.9344 116.2447 44.8070 0.0000 173.5346 16 K 4.3519 6.6409 116.4677 56.3240 34.4776 176.6681 17 Y 4.6226 9.0707 127.6621 58.2809 43.1076 171.9594 18 C 5.4662 8.2115 116.0075 55.5838 40.0955 171.3456 19 C 5.4114 8.9507 114.9871 54.0943 42.9408 173.3802 20 S 4.9306 8.6251 115.5578 56.9931 65.2677 173.8927 21 P 4.6842 0.0000 0.0000 63.1989 31.2396 176.6491 22 I 4.0884 8.1789 116.0777 61.8546 40.7960 175.2906 23 G 4.0621 8.4287 106.0489 45.9103 0.0000 174.8583 24 K 4.1211 7.6127 119.7628 59.0375 33.2347 177.9561 25 Y 3.9714 8.2089 116.0072 59.4857 38.8638 176.4520 26 C 4.4307 7.8377 117.1188 57.4475 42.2848 172.4799 27 V 4.4772 7.9802 122.7530 61.4934 33.7394 174.6879 28 C 5.5863 8.5744 124.3166 55.9081 39.2413 172.1829 29 Y 4.7874 8.4834 116.9069 57.0263 42.2988 176.2801 30 D 4.3354 8.9527 119.8885 56.4066 39.9070 177.0092 31 S 4.4121 8.1500 118.2837 57.0251 62.0180 174.4583 32 K 3.7172 8.4829 126.0272 59.8634 32.5213 178.8779 33 A 3.8462 8.0557 120.8352 55.1541 18.1951 179.4427 34 I 3.1532 9.2485 117.8994 64.8644 36.7913 176.6667 35 C 4.2498 8.2028 119.8232 59.0240 43.3281 174.7471 36 N 4.3553 7.7685 119.6053 57.0088 38.9764 176.5473 37 K 3.7369 8.8534 121.6016 59.3543 31.6926 178.1256 38 N 4.1801 7.6241 119.2685 56.5085 39.1421 177.3947 39 C 4.3091 7.7141 117.7294 60.0689 40.3003 174.6276 40 T 4.1055 7.5370 114.9310 61.9680 68.7102 174.2262 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 8.36 4.56 0.00 2.64 2.68 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 0.00 0.00 0.00 0.00 2 D 6.63 4.38 0.00 2.65 2.52 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 3 G 8.01 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 0.00 0.00 0.00 4 L 8.12 4.91 0.00 1.65 1.61 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 5 C 8.42 5.37 0.00 3.11 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.53 5.26 0.00 3.15 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 7 E 10.30 4.97 0.00 2.20 2.16 0.00 0.00 0.00 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 2.37 0.00 8 G 7.90 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 T 8.12 4.54 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 1.21 0.00 0.00 10 N 7.99 4.73 0.00 2.75 3.06 0.00 0.00 6.88 7.52 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 11 C 8.01 4.98 0.00 3.06 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 12 G 8.03 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 13 K 7.23 4.15 0.00 1.86 1.93 0.00 1.50 0.00 0.00 1.44 0.00 0.00 2.78 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.33 1.19 7.81 14 V 6.68 3.69 2.04 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 0.96 0.00 0.00 0.91 0.00 0.00 15 G 8.93 4.11 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 0.00 0.00 0.00 16 K 6.64 4.35 0.00 1.53 1.79 0.00 1.95 0.00 0.00 1.73 0.00 0.00 2.75 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.34 7.81 17 Y 9.07 4.62 0.00 2.92 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 18 C 8.21 5.47 0.00 1.71 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 19 C 8.95 5.41 0.00 2.98 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.63 4.93 0.00 4.14 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 0.00 21 P 0.00 4.68 0.00 2.28 2.24 0.00 4.18 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.00 0.00 22 I 8.18 4.09 1.93 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 1.09 1.00 0.00 0.00 23 G 8.43 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 0.00 0.00 0.00 24 K 7.61 4.12 0.00 1.75 1.88 0.00 1.60 0.00 0.00 1.88 0.00 0.00 2.70 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.50 0.66 7.81 25 Y 8.21 3.97 0.00 3.11 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 26 C 7.84 4.43 0.00 3.08 3.24 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 0.00 27 V 7.98 4.48 2.28 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 1.11 0.00 0.00 1.20 0.00 0.00 28 C 8.57 5.59 0.00 2.76 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.48 4.79 0.00 2.90 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 30 D 8.95 4.34 0.00 2.85 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 31 S 8.15 4.41 0.00 3.98 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 32 K 8.48 3.72 0.00 1.05 0.74 0.00 1.30 0.00 0.00 1.46 0.00 0.00 2.31 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.18 1.22 7.81 33 A 8.06 3.85 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 34 I 9.25 3.15 1.97 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.56 0.59 0.00 0.00 35 C 8.20 4.25 0.00 2.89 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 36 N 7.77 4.36 0.00 2.61 2.80 0.00 0.00 6.76 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 37 K 8.85 3.74 0.00 1.63 1.55 0.00 1.48 0.00 0.00 1.53 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.54 7.81 38 N 7.62 4.18 0.00 1.99 2.35 0.00 0.00 6.61 7.57 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 39 C 7.71 4.31 0.00 3.26 2.93 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 40 T 7.54 4.11 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00