NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 K 4.2073 8.3101 121.7903 55.0526 34.3698 175.7026 20 A 5.1538 7.3688 131.5277 52.1744 19.3922 173.4740 21 K 4.2107 7.4826 119.3808 55.7480 32.4782 176.8914 22 V 3.8788 8.0376 123.1492 63.6882 31.9621 178.1652 23 K 3.9498 8.6011 120.7732 60.4112 32.1055 178.3236 24 A 4.3456 7.9082 117.9138 53.7615 18.5403 178.0029 25 T 4.1628 7.5395 112.5419 64.6519 68.8513 174.2475 26 L 4.8872 7.4850 120.5314 52.8639 46.7431 178.0456 27 G 4.4072 8.1577 115.7592 45.6372 0.0000 177.6400 28 E 4.4283 8.8885 124.8311 54.1217 28.0712 173.6949 29 F 4.8480 7.9720 117.0313 54.4684 40.4040 175.7100 30 D 4.4229 8.5985 124.2397 53.2609 40.6521 176.6192 31 L 4.8997 7.9844 132.7098 55.0412 39.7571 177.2387 32 R 4.5807 7.8418 115.1143 57.2906 33.5818 174.6049 33 D 4.4642 8.0685 117.5942 54.1190 41.6392 175.6172 34 Y 4.9650 7.3893 124.6579 56.8517 38.5611 176.5532 35 R 4.5562 7.8179 117.9737 57.0499 33.6568 176.4588 36 N 4.6985 8.0248 117.1554 52.3670 35.8999 175.9282 37 V 3.5420 7.6303 116.3200 65.8363 31.9963 178.1748 38 E 4.1064 8.1583 116.3842 59.5683 29.4053 179.3267 39 V 3.4086 7.8327 118.3988 65.7047 31.6137 177.8433 40 L 4.1234 7.7616 117.8891 57.9629 41.4751 179.3078 41 K 3.8531 8.2473 118.1773 59.1838 31.8745 176.8729 42 R 4.2093 7.0442 117.3260 56.5369 29.7533 176.0222 43 F 5.3437 8.2719 113.4766 56.6588 40.1099 175.8165 44 L 5.5763 8.0756 118.2658 56.4216 42.9256 175.8997 45 S 3.5414 7.5988 112.9542 59.7467 64.7943 172.7731 46 E 4.7389 8.7502 124.5196 56.5848 30.2975 176.3856 47 T 4.9511 7.3913 109.9922 60.1682 70.6290 175.2207 48 G 4.0596 7.4948 107.3745 44.9280 0.0000 174.0764 49 K 4.3718 7.9643 119.5341 55.7440 33.8182 176.3291 50 I 4.1763 8.2136 123.8604 61.4784 37.4952 175.9906 51 L 4.4730 8.4134 127.9318 53.5168 42.5556 175.5482 52 P 4.5012 0.0000 0.0000 62.2480 32.5166 177.3752 53 R 4.0339 8.5838 117.9166 58.7767 30.1266 179.2053 54 R 3.9442 8.0175 115.5441 58.6857 29.9493 175.6850 55 R 4.5369 7.8461 114.2900 56.9494 33.1774 177.5065 56 T 3.9797 8.0863 107.8198 63.3191 68.8198 172.1743 57 G 4.0897 7.8935 110.7775 45.6208 0.0000 171.8108 58 L 4.8798 7.5948 123.3410 52.1793 46.3423 176.6220 59 S 4.4961 9.3419 115.8110 57.6985 65.4548 174.4068 60 A 3.9178 8.5030 122.5614 55.5522 17.7522 179.4233 61 K 3.8044 8.0694 116.6507 59.2619 32.1169 178.8606 62 E 3.9446 7.8149 118.3540 59.2534 29.2668 178.6008 63 Q 4.1095 8.3358 119.5546 59.3262 29.0539 178.0050 64 R 4.0868 7.9756 119.8831 58.7235 30.3780 178.4871 65 I 3.8379 7.6812 112.9099 64.1219 37.5838 176.9372 66 L 4.0322 8.5324 123.7946 57.9224 41.7012 178.3326 67 A 4.0206 8.1098 120.0710 54.9482 18.7780 179.4435 68 K 3.8301 7.9478 117.1968 60.1195 32.0993 179.2777 69 T 3.8983 7.6856 108.3018 65.2153 68.6097 175.7652 70 I 3.6517 7.9572 122.3189 64.3096 36.9368 177.9424 71 K 3.8513 8.3679 118.9224 60.0047 32.3757 178.7737 72 R 3.9422 7.8146 117.0668 59.5212 30.0559 178.4338 73 A 4.0450 7.8407 119.6260 55.6435 18.1682 179.5513 74 R 3.8647 7.4072 116.1621 58.9961 30.2225 178.9517 75 I 4.1203 7.7774 119.1484 64.0354 37.1390 177.5295 76 L 4.6017 8.0158 118.6362 54.5305 41.5008 178.5289 77 G 3.9577 7.7771 105.6053 45.9947 0.0000 175.5675 78 L 4.0239 7.0320 119.6528 56.7868 42.0711 177.3124 79 L 4.1070 7.6055 118.8435 54.1120 42.9195 175.5398 80 P 4.3707 0.0000 0.0000 62.7491 31.9559 176.4109 81 F 4.5309 8.3752 118.3798 59.5855 39.8464 176.6332 82 T 4.6636 7.1836 112.4274 62.8184 71.7910 172.4404 83 E 4.8606 8.9092 122.9907 54.4874 33.5878 174.5183 84 K 4.5964 8.4564 119.6705 54.6660 33.5470 176.6783 85 L 3.8739 8.6227 125.8406 55.7420 42.3770 177.2990 86 V 4.0174 8.1148 125.3364 61.4411 30.6206 171.2220 87 R 4.1146 8.4016 127.7876 55.0665 30.5991 176.8076 88 K 4.1343 8.4421 120.4367 56.6022 32.5310 175.4746 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 19 K 8.31 4.21 0.00 1.72 1.91 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.51 7.81 20 A 7.37 5.15 1.31 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 0.00 0.00 0.00 21 K 7.48 4.21 0.00 1.83 1.84 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.11 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.39 7.81 22 V 8.04 3.88 2.27 0.00 0.00 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 1.04 0.00 0.00 23 K 8.60 3.95 0.00 2.29 1.86 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.53 7.81 24 A 7.91 4.35 1.31 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 0.00 0.00 0.00 25 T 7.54 4.16 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 1.13 0.00 0.00 26 L 7.48 4.89 0.00 1.27 1.20 0.03 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.16 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.89 4.43 0.00 2.00 1.93 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 2.25 2.30 0.00 29 F 7.97 4.85 0.00 3.15 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.60 4.42 0.00 2.76 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 31 L 7.98 4.90 0.00 1.95 1.92 0.94 0.45 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 32 R 7.84 4.58 0.00 1.75 2.27 0.00 3.34 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 33 D 8.07 4.46 0.00 2.59 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 34 Y 7.39 4.97 0.00 3.11 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 35 R 7.82 4.56 0.00 1.73 1.86 0.00 3.09 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.42 0.00 36 N 8.02 4.70 0.00 2.87 3.00 0.00 0.00 6.24 7.68 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 37 V 7.63 3.54 2.06 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 0.85 0.00 0.00 0.94 0.00 0.00 38 E 8.16 4.11 0.00 1.87 1.96 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 2.27 2.34 0.00 39 V 7.83 3.41 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 0.76 0.00 0.00 0.89 0.00 0.00 40 L 7.76 4.12 0.00 1.86 1.83 1.05 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.25 3.85 0.00 1.62 1.79 0.00 1.66 0.00 0.00 1.60 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.46 7.81 42 R 7.04 4.21 0.00 1.45 1.27 0.00 3.02 0.00 0.00 3.08 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.43 0.00 43 F 8.27 5.34 0.00 3.32 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 44 L 8.08 5.58 0.00 1.85 1.58 1.05 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 45 S 7.60 3.54 0.00 4.06 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 46 E 8.75 4.74 0.00 1.94 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 2.19 2.19 0.00 47 T 7.39 4.95 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 48 G 7.49 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 49 K 7.96 4.37 0.00 1.76 1.76 0.00 1.69 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.56 1.49 7.81 50 I 8.21 4.18 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.74 0.89 0.00 0.00 51 L 8.41 4.47 0.00 1.66 1.65 1.01 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.50 0.00 2.29 2.18 0.00 3.74 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 2.00 0.00 53 R 8.58 4.03 0.00 1.89 2.04 0.00 3.42 0.00 0.00 3.29 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.61 0.00 54 R 8.02 3.94 0.00 1.80 2.05 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 1.66 1.70 0.00 55 R 7.85 4.54 0.00 1.92 1.85 0.00 3.34 0.00 0.00 3.24 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 56 T 8.09 3.98 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 1.29 0.00 0.00 57 G 7.89 4.09 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 0.00 0.00 0.00 58 L 7.59 4.88 0.00 1.64 1.62 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 59 S 9.34 4.50 0.00 3.99 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 60 A 8.50 3.92 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 61 K 8.07 3.80 0.00 1.82 1.83 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.54 7.81 62 E 7.81 3.94 0.00 2.20 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 2.27 2.28 0.00 63 Q 8.34 4.11 0.00 2.22 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 64 R 7.98 4.09 0.00 1.92 1.87 0.00 3.18 0.00 0.00 3.21 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 65 I 7.68 3.84 1.87 0.00 0.00 0.83 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 0.86 0.91 0.00 0.00 66 L 8.53 4.03 0.00 1.71 1.60 0.70 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.11 4.02 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 68 K 7.95 3.83 0.00 2.02 1.86 0.00 1.56 0.00 0.00 1.87 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.50 7.81 69 T 7.69 3.90 4.38 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 1.32 0.00 0.00 70 I 7.96 3.65 1.99 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.62 0.93 0.00 0.00 71 K 8.37 3.85 0.00 1.91 1.95 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.71 7.81 72 R 7.81 3.94 0.00 2.00 1.73 0.00 2.89 0.00 0.00 2.65 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.75 0.00 73 A 7.84 4.05 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.41 3.86 0.00 1.69 1.45 0.00 2.98 0.00 0.00 2.94 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.22 0.00 75 I 7.78 4.12 2.09 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.59 0.95 0.00 0.00 76 L 8.02 4.60 0.00 1.86 1.71 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.78 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 78 L 7.03 4.02 0.00 1.68 1.56 1.01 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.61 4.11 0.00 1.64 1.47 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.37 0.00 2.02 1.98 0.00 3.61 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 81 F 8.38 4.53 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 82 T 7.18 4.66 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 1.30 0.00 0.00 83 E 8.91 4.86 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.26 0.00 84 K 8.46 4.60 0.00 1.67 1.78 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.78 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.38 7.81 85 L 8.62 3.87 0.00 1.59 1.59 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.11 4.02 2.08 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 0.90 0.00 0.00 0.99 0.00 0.00 87 R 8.40 4.11 0.00 2.14 2.05 0.00 3.03 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 88 K 8.44 4.13 0.00 1.68 1.65 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.39 7.81