NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 29 G 3.8047 8.3544 109.7361 45.1483 0.0000 173.4028 30 S 4.0395 8.4660 117.4745 55.4636 62.1793 172.2658 31 S 4.2286 8.5710 124.1271 57.6988 64.2633 172.0190 32 G 3.0220 8.5718 112.3569 44.8583 0.0000 172.7621 33 S 4.1425 8.2764 121.0566 60.8560 63.0478 175.0087 34 S 3.8022 8.1669 111.9820 59.0993 61.2491 171.1602 35 G 4.1140 7.6995 109.4703 45.0147 0.0000 171.7094 36 H 4.4123 8.8126 120.4538 54.6781 30.0848 174.4970 37 K 4.3157 7.8591 117.8559 56.3487 31.9906 177.8271 38 F 4.3704 7.4989 116.6100 59.0105 39.5996 175.7548 39 T 4.5179 8.6388 114.5402 60.6883 70.2701 172.6448 40 A 4.0469 8.8484 130.1570 52.8822 18.8962 176.9830 41 R 4.3688 7.9235 123.1918 54.2837 33.1652 174.6959 42 F 4.1305 9.0730 120.4604 57.5542 37.7130 175.3456 43 F 4.8390 8.5036 122.0206 54.7679 39.2984 175.4819 44 K 3.6162 8.5456 124.7743 58.8555 32.5985 177.7580 45 Q 4.2249 6.9952 116.9101 52.8140 30.8374 174.1833 46 P 4.5640 0.0000 0.0000 63.0224 30.1072 176.0621 47 T 3.8986 8.3347 123.7668 63.8741 70.0153 172.8382 48 F 4.7369 8.2639 126.0789 56.1381 41.4599 174.0857 49 C 4.1385 7.7244 127.0216 58.8538 32.3470 173.9296 50 S 5.3437 7.5160 124.4922 58.8451 62.2350 173.4477 51 H 4.8290 7.9793 118.0051 57.4219 31.6846 173.4422 52 C 4.2758 8.0980 111.7043 58.1477 30.6681 172.9030 53 T 3.1143 7.2014 115.4705 64.9858 64.7528 170.1943 54 D 4.7456 6.9356 119.0838 52.3214 45.3910 175.4429 55 F 4.3369 8.6534 118.5428 57.1407 40.5252 175.4862 56 I 4.3654 8.0336 120.9968 62.8653 38.9410 176.1768 57 W 4.5658 8.3053 132.2300 58.8136 28.9880 174.7767 58 G 4.1368 7.1428 121.8659 46.0600 0.0000 172.7790 59 I 4.0281 6.5822 113.2334 61.3466 37.0277 174.1617 60 G 3.7019 7.7324 107.5293 45.2886 0.0000 174.2346 61 K 4.7924 8.1510 118.2780 56.1746 32.5453 178.0709 62 Q 4.4733 8.0157 118.6045 54.2445 28.0556 174.0216 63 G 4.4399 8.3288 108.7383 44.7535 0.0000 168.5814 64 L 5.1464 8.5616 126.0717 52.8797 44.0676 175.5269 65 Q 4.9247 8.9162 125.7843 54.8139 30.6389 174.4973 66 C 4.2389 8.4266 127.1530 58.7816 32.9218 173.4282 67 Q 4.7122 8.5394 124.7251 56.5046 28.6543 176.1817 68 V 4.2519 7.6792 115.7754 64.1891 33.1388 176.6156 69 C 4.7545 8.0686 111.4312 57.3782 29.8355 173.2485 70 S 3.7367 8.0409 111.6540 59.7550 60.4369 172.1566 71 F 4.7026 8.1346 122.6026 56.6564 39.2066 173.7401 72 V 5.2118 7.7934 126.2007 59.7237 33.3686 175.6446 73 V 4.5088 8.1839 116.6860 59.3318 36.3043 174.3325 74 H 4.5569 8.6197 120.7276 55.1744 29.8347 176.2724 75 R 3.8826 8.8796 119.1945 59.6711 30.1941 179.3809 76 R 3.9826 8.0445 114.4230 59.4741 29.5840 178.3888 77 C 4.3610 8.1383 116.9812 62.9230 27.8534 174.6477 78 H 3.3960 7.9180 119.0202 59.6144 29.2425 176.3111 79 E 3.8257 7.5608 118.5055 59.5587 29.4786 178.5229 80 F 4.4436 7.4119 117.7954 59.1218 39.3625 176.2899 81 V 3.7184 7.5603 116.5155 63.7556 31.7597 175.2876 82 T 4.5189 8.6045 119.3679 62.4955 69.5760 174.1032 83 F 4.2627 8.3435 121.9374 58.5036 39.7559 173.8484 84 E 3.9533 7.3615 125.2645 54.2313 29.9812 175.6728 85 C 3.6449 8.0089 124.0154 59.1590 31.8172 172.1649 86 P 4.3776 0.0000 0.0000 64.9910 31.5388 177.3263 87 G 3.6894 8.0249 105.9492 46.8486 0.0000 173.6678 88 A 3.9659 7.6772 125.2234 54.3904 19.1068 175.8060 89 G 3.9683 9.2453 116.5703 45.0855 0.0000 174.1434 90 K 4.2148 8.5391 117.0272 55.3715 34.2906 176.6305 91 G 3.9279 8.0764 112.2878 43.8889 0.0000 170.8856 92 P 4.2841 0.0000 0.0000 62.2616 31.1870 176.0934 93 Q 4.2342 8.5364 121.9469 55.5339 29.3203 176.3472 94 T 3.9822 8.6796 108.0722 65.0110 68.2555 174.3634 95 D 4.5705 7.9315 119.6639 54.0083 41.4167 175.3659 96 D 4.8445 8.2321 119.6669 51.9662 43.9972 174.3093 97 P 4.3630 0.0000 0.0000 65.5570 31.7294 177.3414 98 R 4.0267 7.8602 114.0294 56.3396 29.4591 174.7290 99 N 4.9895 8.1225 114.9773 51.1366 42.8436 173.5556 100 K 3.7984 8.5992 118.3951 57.4397 32.3335 175.5686 101 H 4.5190 8.6246 125.4417 55.3113 30.7467 174.4496 102 K 4.2690 7.8366 124.6000 56.1555 32.8968 175.7459 103 F 4.7405 7.8297 115.6905 58.3727 39.4156 176.6025 104 R 4.1549 5.8400 116.3980 53.9057 30.4502 176.0206 105 L 4.0297 8.3090 118.5730 55.6121 41.9387 176.4168 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 29 G 8.35 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.47 4.04 0.00 3.92 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 8.57 4.23 0.00 4.02 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.57 3.02 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 0.00 0.00 0.00 33 S 8.28 4.14 0.00 3.91 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 34 S 8.17 3.80 0.00 3.96 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 35 G 7.70 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 36 H 8.81 4.41 0.00 1.40 2.64 0.00 5.70 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 K 7.86 4.32 0.00 1.67 1.79 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.40 7.81 38 F 7.50 4.37 0.00 2.84 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 39 T 8.64 4.52 4.29 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 1.32 0.00 0.00 40 A 8.85 4.05 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 41 R 7.92 4.37 0.00 1.80 1.40 0.00 3.21 0.00 0.00 3.10 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 1.31 0.00 42 F 9.07 4.13 0.00 3.24 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 43 F 8.50 4.84 0.00 3.25 3.10 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 0.00 0.00 0.00 0.00 44 K 8.55 3.62 0.00 1.89 2.12 0.00 1.49 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.34 1.42 7.81 45 Q 7.00 4.22 0.00 1.81 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.18 0.00 0.00 0.00 0.00 0.00 2.16 2.15 0.00 46 P 0.00 4.56 0.00 2.17 2.09 0.00 3.58 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 47 T 8.33 3.90 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 0.64 0.00 0.00 48 F 8.26 4.74 0.00 2.88 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 C 7.72 4.14 0.00 2.63 2.61 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 0.00 0.00 0.00 0.00 50 S 7.52 5.34 0.00 4.06 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.98 4.83 0.00 3.25 3.26 0.00 5.97 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 C 8.10 4.28 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 53 T 7.20 3.11 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 1.33 0.00 0.00 54 D 6.94 4.75 0.00 2.56 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.65 4.34 0.00 2.96 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 56 I 8.03 4.37 1.89 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.80 1.05 0.00 0.00 57 W 8.31 4.57 0.00 3.44 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 58 G 7.14 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 I 6.58 4.03 1.85 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 1.35 0.75 0.90 0.00 0.00 60 G 7.73 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 61 K 8.15 4.79 0.00 1.68 1.77 0.00 1.84 0.00 0.00 1.73 0.00 0.00 3.27 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.38 1.49 7.81 62 Q 8.02 4.47 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 63 G 8.33 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 0.00 0.00 0.00 0.00 64 L 8.56 5.15 0.00 1.75 1.94 0.88 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 65 Q 8.92 4.92 0.00 2.42 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 66 C 8.43 4.24 0.00 2.78 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 67 Q 8.54 4.71 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.63 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 68 V 7.68 4.25 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 0.79 0.00 0.00 0.90 0.00 0.00 69 C 8.07 4.75 0.00 3.23 3.08 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 0.00 0.00 0.00 70 S 8.04 3.74 0.00 3.97 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 71 F 8.13 4.70 0.00 3.23 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 72 V 7.79 5.21 2.21 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 0.43 0.00 0.00 0.90 0.00 0.00 73 V 8.18 4.51 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 0.74 0.00 0.00 0.87 0.00 0.00 74 H 8.62 4.56 0.00 3.14 3.28 0.00 6.11 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 R 8.88 3.88 0.00 1.81 2.00 0.00 3.37 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 76 R 8.04 3.98 0.00 2.14 2.21 0.00 3.18 0.00 0.00 3.44 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.86 0.00 77 C 8.14 4.36 0.00 3.26 2.99 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 78 H 7.92 3.40 0.00 2.15 3.27 0.00 5.96 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 7.56 3.83 0.00 1.89 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 2.01 1.66 0.00 80 F 7.41 4.44 0.00 3.07 3.11 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 81 V 7.56 3.72 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.22 0.00 0.00 82 T 8.60 4.52 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 1.34 0.00 0.00 83 F 8.34 4.26 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 84 E 7.36 3.95 0.00 1.61 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 85 C 8.01 3.64 0.00 2.34 2.82 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 86 P 0.00 4.38 0.00 2.28 2.31 0.00 3.91 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 87 G 8.02 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 A 7.68 3.97 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 G 9.25 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 0.00 0.00 0.00 90 K 8.54 4.21 0.00 1.66 1.64 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.40 7.81 91 G 8.08 3.93 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 0.00 0.00 0.00 92 P 0.00 4.28 0.00 2.20 2.11 0.00 3.77 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 1.99 1.95 0.00 93 Q 8.54 4.23 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.07 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 94 T 8.68 3.98 4.25 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 1.21 0.00 0.00 95 D 7.93 4.57 0.00 2.70 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 D 8.23 4.84 0.00 2.61 2.54 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 97 P 0.00 4.36 0.00 2.19 2.19 0.00 3.80 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 98 R 7.86 4.03 0.00 1.95 2.02 0.00 3.15 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 99 N 8.12 4.99 0.00 2.67 2.75 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 0.00 100 K 8.60 3.80 0.00 1.74 1.80 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.52 7.81 101 H 8.62 4.52 0.00 3.17 3.23 0.00 5.78 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 0.00 102 K 7.84 4.27 0.00 1.55 1.48 0.00 1.40 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.17 1.01 7.81 103 F 7.83 4.74 0.00 3.19 3.09 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 0.00 0.00 0.00 104 R 5.84 4.15 0.00 1.82 1.82 0.00 2.93 0.00 0.00 2.95 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 1.20 0.00 105 L 8.31 4.03 0.00 1.58 1.55 0.88 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00