NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6238 8.4045 120.6169 55.2555 33.3384 175.8100 2 Q 4.1571 8.2636 126.9563 54.9646 29.6517 170.0552 3 S 5.1767 8.3861 114.9847 56.7110 65.6496 172.7543 4 I 4.8905 8.9382 120.0337 59.0711 41.6034 174.7689 5 N 5.3224 8.5105 120.3191 51.0846 39.0500 175.8882 6 F 4.1423 8.6501 119.8708 61.6130 39.2923 177.1254 7 R 3.6722 8.1320 116.9784 59.6323 30.0647 179.0108 8 T 3.8171 8.5404 115.5085 66.4340 68.0062 176.6055 9 A 3.8920 7.8210 122.5895 55.1905 18.2368 179.6346 10 R 3.7811 7.6076 116.2381 59.2538 30.1723 178.3554 11 G 3.8555 7.8206 103.1856 45.6539 0.0000 173.6030 12 N 5.0675 7.7038 118.2100 52.1354 40.3464 176.3276 13 L 3.9102 7.7100 121.6148 58.3334 42.0072 178.2884 14 S 4.1073 8.0977 114.8360 62.2693 62.3710 176.6263 15 E 4.0280 8.0916 120.3792 60.8193 29.4873 180.8253 16 V 3.7570 7.7702 118.4938 66.2812 31.4965 178.2648 17 L 4.0151 8.0335 118.5557 57.7172 41.5124 179.2260 18 N 4.3220 8.1773 116.6021 56.3226 38.5213 177.1513 19 N 4.3277 8.4249 118.1375 56.2699 38.6372 177.6401 20 V 4.3530 7.8349 120.9223 65.6678 31.4446 177.7382 21 E 3.9551 8.3120 117.8251 59.0592 29.5161 178.2409 22 A 4.2171 7.6023 119.4184 52.8496 18.4629 177.2331 23 G 3.6973 7.1982 107.7823 45.7445 0.0000 174.2472 24 E 4.7086 8.2088 118.3284 55.0089 32.2260 179.0551 25 E 5.0549 8.5910 120.2671 54.8652 32.2590 175.0613 26 V 4.7112 8.4735 123.8256 61.0245 34.6369 173.7028 27 E 4.8417 9.1079 129.4072 55.3494 31.4397 174.6409 28 I 5.0315 8.8395 128.3522 59.9339 39.3819 174.8091 29 T 4.8268 8.9906 118.4550 60.4087 71.5229 173.9588 30 R 4.6275 8.3476 125.1382 55.0783 33.6115 174.8894 31 R 4.0190 8.8489 125.0171 58.0434 29.5207 173.0451 32 G 3.9926 9.1970 110.8898 44.9473 0.0000 172.7112 33 R 4.7119 7.8823 116.6468 53.6764 34.2214 174.9393 34 E 4.1642 8.5348 119.5225 55.5647 30.1010 175.4543 35 P 4.6780 0.0000 0.0000 62.9744 32.3685 175.3973 36 A 4.9429 8.8436 123.8127 50.3723 22.2383 175.7356 37 V 4.9090 8.1296 117.4030 59.9426 34.8540 174.7640 38 I 4.6102 8.8191 123.5581 59.2322 40.3931 174.5513 39 V 4.9394 8.1540 127.5839 59.5458 34.7993 175.1039 40 S 4.1885 8.6980 116.2657 58.5525 63.5209 175.3770 41 K 3.9390 8.7725 123.0651 59.6462 32.0329 179.0012 42 A 3.9664 7.9463 120.5290 55.5612 18.3533 179.5650 43 T 3.5610 7.7951 114.1842 66.5303 68.3963 176.6528 44 F 4.0283 8.2084 122.5150 61.3566 39.3481 177.0470 45 E 3.7409 8.4882 118.1395 59.1055 29.2556 178.9754 46 A 3.9861 7.9054 120.7748 55.6315 18.4897 179.3402 47 Y 4.1808 7.8583 114.9969 61.1267 37.8484 178.7535 48 K 3.8358 8.1169 123.1520 59.9620 32.1321 179.6841 49 K 3.9057 8.2413 123.9732 59.7486 31.3984 180.9626 50 A 4.1379 8.1862 121.9053 54.5544 18.1480 179.7702 51 A 3.9775 8.0679 119.6568 55.2117 18.5403 179.7754 52 L 3.8729 8.0454 117.7384 58.2127 41.5254 179.5728 53 D 4.1879 8.0787 117.3048 56.8506 40.6763 178.5600 54 A 4.3399 7.5150 121.7504 55.5315 18.8555 179.7488 55 E 4.1815 8.0497 115.4776 61.3159 30.2485 178.4448 56 F 4.2387 8.4457 122.4984 57.4234 39.9172 174.4329 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 8.40 4.62 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.57 0.00 2 Q 8.26 4.16 0.00 1.78 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.62 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 3 S 8.39 5.18 0.00 3.83 3.73 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 0.00 0.00 0.00 0.00 4 I 8.94 4.89 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 1.42 1.14 0.91 0.00 0.00 5 N 8.51 5.32 0.00 3.04 3.04 0.00 0.00 6.36 8.12 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 6 F 8.65 4.14 0.00 3.09 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.13 3.67 0.00 2.08 1.94 0.00 3.22 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.89 0.00 8 T 8.54 3.82 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 1.18 0.00 0.00 9 A 7.82 3.89 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 10 R 7.61 3.78 0.00 1.38 1.71 0.00 3.37 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.52 0.00 11 G 7.82 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 0.00 0.00 0.00 12 N 7.70 5.07 0.00 2.87 2.72 0.00 0.00 6.46 6.09 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 13 L 7.71 3.91 0.00 1.84 1.63 0.93 0.80 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 14 S 8.10 4.11 0.00 3.90 3.82 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 0.00 0.00 0.00 15 E 8.09 4.03 0.00 2.01 1.94 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 2.31 1.93 0.00 16 V 7.77 3.76 2.24 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 0.95 0.00 0.00 0.95 0.00 0.00 17 L 8.03 4.02 0.00 1.89 1.68 0.90 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 18 N 8.18 4.32 0.00 2.92 2.86 0.00 0.00 6.97 6.37 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 19 N 8.42 4.33 0.00 2.91 2.86 0.00 0.00 6.67 8.54 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 20 V 7.83 4.35 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 0.89 0.00 0.00 1.03 0.00 0.00 21 E 8.31 3.96 0.00 1.97 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 0.00 2.31 2.32 0.00 22 A 7.60 4.22 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 23 G 7.20 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.21 4.71 0.00 1.68 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 2.17 2.14 0.00 25 E 8.59 5.05 0.00 2.03 1.91 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 2.31 1.85 0.00 26 V 8.47 4.71 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 0.93 0.00 0.00 27 E 9.11 4.84 0.00 2.10 1.92 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 2.28 2.45 0.00 28 I 8.84 5.03 1.91 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 1.30 0.55 1.01 0.00 0.00 29 T 8.99 4.83 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 30 R 8.35 4.63 0.00 1.85 1.72 0.00 2.71 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.48 0.00 31 R 8.85 4.02 0.00 1.87 1.75 0.00 3.39 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.22 0.00 32 G 9.20 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.88 4.71 0.00 1.84 1.75 0.00 3.30 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.64 0.00 34 E 8.53 4.16 0.00 1.96 1.89 0.00 0.00 0.00 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 2.24 0.00 35 P 0.00 4.68 0.00 2.17 2.06 0.00 3.74 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 36 A 8.84 4.94 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 37 V 8.13 4.91 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 0.76 0.00 0.00 0.99 0.00 0.00 38 I 8.82 4.61 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.42 0.97 0.00 0.00 39 V 8.15 4.94 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 0.80 0.00 0.00 0.88 0.00 0.00 40 S 8.70 4.19 0.00 4.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.77 3.94 0.00 1.84 1.85 0.00 1.73 0.00 0.00 1.83 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.55 1.56 7.81 42 A 7.95 3.97 1.30 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 0.00 0.00 0.00 43 T 7.80 3.56 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 44 F 8.21 4.03 0.00 3.08 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 45 E 8.49 3.74 0.00 1.99 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 2.66 2.50 0.00 46 A 7.91 3.99 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.86 4.18 0.00 3.01 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 48 K 8.12 3.84 0.00 1.18 1.60 0.00 1.34 0.00 0.00 1.55 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.29 1.26 7.81 49 K 8.24 3.91 0.00 1.79 1.80 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.33 7.81 50 A 8.19 4.14 1.30 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 0.00 0.00 0.00 51 A 8.07 3.98 1.36 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 0.00 0.00 0.00 52 L 8.05 3.87 0.00 1.84 1.61 0.87 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.08 4.19 0.00 2.59 2.63 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 0.00 0.00 0.00 54 A 7.51 4.34 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.05 4.18 0.00 2.08 1.86 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 2.24 2.21 0.00 56 F 8.45 4.24 0.00 2.93 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00