NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.2801 8.4293 121.4703 55.3309 30.9349 175.7406 5 P 4.3714 0.0000 0.0000 61.4499 33.0562 176.1488 6 C 4.7721 8.4670 124.9109 58.0341 29.3346 175.4687 7 V 3.7989 7.5723 123.0704 63.3537 31.6263 177.8848 8 E 4.0794 8.1657 119.6667 59.0761 29.2695 178.9328 9 S 4.1806 7.7153 116.2910 60.6764 63.2119 176.5648 10 L 3.6103 7.7477 122.6160 57.3741 41.5050 179.5515 11 V 3.6320 7.5267 117.9315 65.6673 30.9783 178.1351 12 S 4.2525 8.1439 114.3779 61.5416 62.9898 176.4622 13 Q 3.9924 7.8391 121.6576 58.7026 28.4524 178.6212 14 Y 4.3079 7.5036 117.4037 61.2758 38.1875 178.2827 15 F 4.5016 8.2470 117.5739 59.7813 39.0585 177.4680 16 Q 4.3196 8.0638 119.4379 57.9245 28.7254 178.2376 17 T 4.1177 7.7766 118.3469 65.7680 68.4091 177.0475 18 V 3.7451 7.7224 120.0806 66.0264 31.0581 178.3268 19 T 3.9075 7.4267 114.7478 66.7156 68.1894 176.3447 20 D 4.4121 7.7925 120.5383 57.6234 40.8091 178.5313 21 Y 4.8021 7.3209 118.7430 60.6388 37.8430 178.8413 22 G 3.7095 8.2704 106.7641 47.5931 0.0000 176.0456 23 K 4.0983 8.3245 121.0363 59.3551 31.8102 179.2038 24 D 4.5345 8.4129 119.5520 57.3729 40.8914 178.8023 25 L 4.1347 8.0138 119.5355 57.8711 41.5128 179.5141 26 M 4.1735 7.9934 118.7543 58.5596 31.4965 178.6799 27 E 4.0402 8.4132 118.7748 59.2745 29.4071 179.3067 28 K 4.1478 8.1361 116.9984 58.0995 31.9467 178.2980 29 V 4.2306 7.2054 116.5134 63.4590 32.5661 177.4719 30 K 4.4027 8.4969 119.3466 58.1990 32.0659 179.2412 31 S 4.2768 7.7591 114.8012 60.9769 62.2474 174.8575 32 P 4.3212 0.0000 0.0000 64.8376 30.8364 178.0037 33 E 4.2634 7.9682 118.0147 58.2969 30.0199 176.8975 34 L 4.9536 7.6417 118.0151 52.6091 43.2598 174.7903 35 Q 4.5056 7.8407 122.2164 55.5575 36.3663 175.5836 36 A 3.9572 9.0005 117.9872 55.8505 19.5912 178.5626 37 E 3.6586 7.7880 117.5628 56.9961 28.9933 178.5171 38 A 3.6211 7.5474 120.1500 55.7407 18.9277 179.9154 39 K 3.8496 7.4038 115.6955 59.2229 32.2019 179.7871 40 S 4.4372 7.2789 115.4032 60.7981 62.8169 176.0531 41 Y 4.4043 6.6242 120.1751 60.6217 37.2177 177.8665 42 F 4.6782 7.4817 120.0449 59.9212 38.8160 177.6158 43 E 4.0599 8.1967 117.7377 59.5802 29.2689 179.4150 44 K 4.1702 8.0039 117.2652 59.4125 32.4533 179.2372 45 S 4.3101 8.3730 114.6956 61.5096 62.8545 176.7257 46 K 4.2681 7.9701 121.3284 58.5250 31.5386 178.0672 47 E 4.3231 7.7441 117.4145 56.5555 29.8008 176.9870 48 Q 4.4006 7.7349 118.5810 56.9212 31.7683 177.4865 49 L 4.0040 7.9743 118.8753 58.3313 41.9970 179.2205 50 T 3.9720 8.0203 115.6998 66.1284 68.5837 175.3757 51 P 4.3704 0.0000 0.0000 65.0016 31.1407 178.5496 52 L 4.0910 7.6505 117.8394 58.4512 40.5085 179.1191 53 I 3.9677 7.1976 117.9658 64.0417 37.3716 178.0632 54 K 4.1899 8.0745 118.2121 58.1321 31.7419 179.1242 55 K 3.9999 8.0515 120.4864 59.0125 32.0585 178.0130 56 A 4.2625 7.9258 120.3489 54.0364 18.0364 179.2845 57 G 3.5518 7.9146 105.3498 47.8157 0.0000 175.7041 58 T 4.2350 7.5723 116.9937 62.3607 67.6701 175.5657 59 E 3.9429 7.5321 120.4841 58.7922 30.4201 177.1245 60 L 4.5025 7.7107 118.1860 56.9793 42.6012 179.1404 61 V 3.6762 7.4589 118.1732 66.1830 31.1320 177.8671 62 N 4.4282 7.9483 115.8144 56.1794 38.4328 177.1751 63 F 4.3987 7.8143 119.1944 60.5606 38.9866 177.4949 64 L 4.2636 7.8301 118.0033 58.0483 41.4216 179.6235 65 S 4.1896 8.2318 112.4292 61.5975 62.5436 175.5546 66 Y 3.9634 8.2266 119.5709 61.2735 37.5061 178.8132 67 F 4.2856 8.3954 118.6341 60.5222 39.1079 177.9527 68 V 3.7001 8.0773 117.9928 65.9989 31.4254 177.9946 69 E 3.9910 8.2811 118.3559 59.3388 29.1928 178.6421 70 L 4.4948 7.7949 115.4398 55.4760 41.9603 178.0767 71 G 4.1009 7.7522 104.8591 44.7731 0.0000 174.6667 72 T 4.4372 7.6627 116.7418 65.3460 69.7687 176.5499 73 Q 4.0240 7.7114 118.1076 58.6574 28.8271 176.5174 74 P 4.3436 0.0000 0.0000 65.3330 31.7064 177.6382 75 A 4.1356 7.9240 120.1515 55.1010 18.7137 177.2523 76 T 4.1018 7.6464 115.9971 63.9841 68.4410 174.3461 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 4 E 8.43 4.28 0.00 1.94 1.99 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 2.19 2.31 0.00 5 P 0.00 4.37 0.00 2.29 2.03 0.00 3.82 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.01 0.00 6 C 8.47 4.77 0.00 3.00 2.86 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 7 V 7.57 3.80 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 0.82 0.00 0.00 0.93 0.00 0.00 8 E 8.17 4.08 0.00 2.07 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 2.41 2.44 0.00 9 S 7.72 4.18 0.00 3.94 4.08 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 10 L 7.75 3.61 0.00 1.68 1.32 0.90 0.48 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 11 V 7.53 3.63 2.15 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 1.31 0.00 0.00 1.00 0.00 0.00 12 S 8.14 4.25 0.00 4.11 4.19 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.84 3.99 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.86 0.00 0.00 0.00 0.00 0.00 2.31 2.53 0.00 14 Y 7.50 4.31 0.00 3.05 2.70 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 15 F 8.25 4.50 0.00 3.19 2.97 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 16 Q 8.06 4.32 0.00 2.33 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 17 T 7.78 4.12 4.28 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 0.00 0.00 0.00 0.71 0.00 0.00 18 V 7.72 3.75 2.39 0.00 0.00 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 1.04 0.00 0.00 19 T 7.43 3.91 4.43 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 1.22 0.00 0.00 20 D 7.79 4.41 0.00 2.62 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 21 Y 7.32 4.80 0.00 3.24 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 22 G 8.27 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.32 4.10 0.00 2.02 1.89 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.74 7.81 24 D 8.41 4.53 0.00 2.95 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.01 4.13 0.00 1.94 1.74 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 26 M 7.99 4.17 0.00 2.10 2.29 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.60 0.00 27 E 8.41 4.04 0.00 2.18 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 2.34 2.58 0.00 28 K 8.14 4.15 0.00 1.91 1.87 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.69 7.81 29 V 7.21 4.23 2.19 0.00 0.00 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 0.96 0.00 0.00 30 K 8.50 4.40 0.00 1.88 1.87 0.00 1.73 0.00 0.00 1.62 0.00 0.00 3.12 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.49 7.81 31 S 7.76 4.28 0.00 4.06 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 32 P 0.00 4.32 0.00 2.42 2.34 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 2.25 2.05 0.00 33 E 7.97 4.26 0.00 2.22 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 2.34 2.57 0.00 34 L 7.64 4.95 0.00 1.60 1.59 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 7.84 4.51 0.00 2.09 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.91 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 36 A 9.00 3.96 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 37 E 7.79 3.66 0.00 2.26 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 2.33 2.28 0.00 38 A 7.55 3.62 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 39 K 7.40 3.85 0.00 2.03 1.92 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.68 1.48 7.81 40 S 7.28 4.44 0.00 3.95 4.03 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 41 Y 6.62 4.40 0.00 2.54 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 42 F 7.48 4.68 0.00 3.34 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 E 8.20 4.06 0.00 2.20 2.03 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 2.45 2.66 0.00 44 K 8.00 4.17 0.00 1.83 1.92 0.00 1.80 0.00 0.00 1.80 0.00 0.00 3.10 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.63 1.66 7.81 45 S 8.37 4.31 0.00 4.13 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 0.00 46 K 7.97 4.27 0.00 2.05 1.92 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.49 1.74 7.81 47 E 7.74 4.32 0.00 2.16 1.98 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 2.36 2.61 0.00 48 Q 7.73 4.40 0.00 2.25 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.91 0.00 0.00 0.00 0.00 0.00 2.34 2.56 0.00 49 L 7.97 4.00 0.00 1.94 1.68 0.94 0.70 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 50 T 8.02 3.97 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 1.22 0.00 0.00 51 P 0.00 4.37 0.00 2.16 2.10 0.00 3.64 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.14 0.00 52 L 7.65 4.09 0.00 1.82 1.81 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.20 3.97 2.02 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 1.53 1.56 0.92 0.00 0.00 54 K 8.07 4.19 0.00 1.86 1.85 0.00 1.56 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.48 7.81 55 K 8.05 4.00 0.00 2.00 1.95 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.44 7.81 56 A 7.93 4.26 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 7.91 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.57 4.23 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 1.22 0.00 0.00 59 E 7.53 3.94 0.00 1.91 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 2.28 2.29 0.00 60 L 7.71 4.50 0.00 1.92 1.78 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.46 3.68 2.30 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 1.05 0.00 0.00 1.01 0.00 0.00 62 N 7.95 4.43 0.00 2.46 2.62 0.00 0.00 7.17 8.13 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 63 F 7.81 4.40 0.00 3.43 3.21 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 0.00 64 L 7.83 4.26 0.00 2.22 1.85 1.10 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.23 4.19 0.00 4.01 4.28 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 0.00 0.00 0.00 0.00 66 Y 8.23 3.96 0.00 2.99 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 67 F 8.40 4.29 0.00 3.26 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 68 V 8.08 3.70 2.30 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 1.08 0.00 0.00 1.12 0.00 0.00 69 E 8.28 3.99 0.00 2.18 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 2.30 2.57 0.00 70 L 7.79 4.49 0.00 1.67 1.74 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 71 G 7.75 4.10 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 0.00 0.00 0.00 72 T 7.66 4.44 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 1.22 0.00 0.00 73 Q 7.71 4.02 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.98 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 74 P 0.00 4.34 0.00 2.05 2.12 0.00 3.69 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 2.22 2.09 0.00 75 A 7.92 4.14 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 76 T 7.65 4.10 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 1.21 0.00 0.00