NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4767 8.1627 118.3270 55.3692 33.7021 173.1358 2 Q 4.9602 8.2889 119.6577 52.4390 31.8694 172.5623 3 I 4.8389 9.1065 119.6926 58.9870 42.4064 173.5717 4 F 5.1769 8.6681 120.2520 55.8099 41.9487 174.8141 5 V 4.5714 9.1564 125.7061 61.6711 32.5240 174.6725 6 K 5.1823 9.2670 128.5617 54.9341 34.9838 175.8420 7 T 4.9439 8.2182 112.7263 59.7187 71.4171 175.4535 8 L 4.0824 8.6427 122.3005 58.1315 41.9229 179.0291 9 T 3.9080 7.9234 114.5208 65.7446 68.4763 174.3408 10 G 3.9950 7.8322 108.8783 45.5415 0.0000 174.6588 11 K 4.2798 7.8074 118.4684 56.9648 33.3951 176.4167 12 T 5.0989 8.3273 118.4571 61.9635 72.3572 173.0367 13 I 4.6856 8.9382 126.7459 59.3158 40.9681 174.1417 14 T 4.8345 8.5747 119.0743 60.4387 70.6781 173.8734 15 L 4.7619 8.7331 123.2499 52.9302 46.0779 175.2804 16 E 4.7926 8.7038 123.0021 55.0714 30.5245 174.7579 17 V 4.6144 8.7190 120.5874 59.7470 36.2953 174.3807 18 E 4.7624 9.5585 121.2219 53.7711 32.7918 174.9993 19 P 4.3513 0.0000 0.0000 64.3393 31.2610 177.1167 20 S 4.6091 7.6052 112.0926 58.4617 64.5749 174.2790 21 D 4.6174 8.7610 123.5295 54.5062 41.3646 175.2797 22 T 4.8038 8.5818 112.4163 60.2883 70.5795 175.9484 23 I 3.6749 8.2650 125.3339 64.8772 36.5348 178.3156 24 E 4.1740 8.0364 120.8733 58.6938 29.5592 178.2343 25 N 4.3108 8.6752 116.9227 56.3649 38.6119 177.3478 26 V 3.5480 7.7317 118.7823 66.1354 31.3295 177.9624 27 K 4.3030 8.3773 118.7516 58.0839 31.8513 178.6720 28 A 4.0148 7.5153 120.3285 54.2925 19.1192 179.5870 29 K 4.3032 8.0008 118.4760 59.1275 32.1038 179.6613 30 I 3.7344 8.1967 120.6788 64.3029 36.8917 178.2633 31 Q 4.1602 7.5810 120.1819 59.3596 28.7788 178.0520 32 D 4.1026 8.1299 119.9569 56.9676 40.6077 178.3264 33 K 4.1612 7.9922 118.9274 57.7412 32.4271 176.9382 34 E 4.5173 8.3975 115.4305 54.6179 31.6536 175.8801 35 G 4.0135 8.7780 107.6904 46.4898 0.0000 173.4243 36 I 4.5208 7.1548 116.0680 58.6277 41.2146 174.3733 37 P 4.2982 0.0000 0.0000 62.2362 31.8324 175.7550 38 P 4.3151 0.0000 0.0000 65.5824 31.5129 177.5423 39 D 4.5935 8.0857 115.6148 54.4582 39.4989 176.1035 40 Q 4.6122 8.0572 117.4760 55.7275 31.3652 174.7423 41 Q 4.7398 8.0895 120.2252 54.7826 30.5475 174.7967 42 R 4.6592 8.7340 123.4811 54.4017 32.7889 174.9503 43 L 5.1351 8.4794 123.6755 53.2034 44.6219 175.4278 44 I 5.0416 8.9145 123.4291 59.5521 40.5817 174.3784 45 F 4.9692 8.9567 128.2436 56.8699 43.1467 174.1539 46 A 3.4477 8.4201 127.1668 53.2073 15.8654 178.0432 47 G 3.8871 8.0335 105.8200 46.6120 0.0000 173.9715 48 K 4.6236 7.8185 119.5311 54.4172 34.5293 175.2786 49 Q 4.7765 8.3442 120.6000 55.6229 29.6903 175.4347 50 L 4.2922 8.4608 123.7477 53.8728 42.9998 176.1346 51 E 4.5922 8.6161 122.6242 55.1184 30.8624 177.3911 52 D 4.4891 9.0804 123.2444 56.8960 41.0027 178.8210 53 G 3.6411 7.4902 108.5224 47.9405 0.0000 175.1930 54 R 4.0216 7.8179 118.4082 55.7871 30.8465 175.3276 55 T 5.0772 8.3345 107.4880 59.5137 72.0109 174.8379 56 L 3.9587 8.3041 121.9509 58.2993 42.1816 179.8564 57 S 4.0670 7.9635 113.0332 61.5751 62.4142 175.9371 58 D 4.2201 7.7738 118.3725 57.5992 40.4885 177.0835 59 Y 4.6063 7.7013 113.6787 57.2599 37.9097 174.7222 60 N 4.0937 7.8487 116.5904 54.6028 37.9305 175.6957 61 I 3.6890 7.4336 118.7871 59.6376 35.5653 176.6384 62 Q 4.2886 7.9848 125.2957 54.7531 29.8539 175.7467 63 K 4.0060 8.3039 117.7530 58.4528 33.0567 176.6939 64 E 3.9550 9.3681 121.3457 56.5322 29.3874 174.4161 65 S 4.5635 7.5398 112.7141 59.8732 64.3469 173.0861 66 T 5.2511 8.7216 117.9465 62.0491 70.4443 173.8919 67 L 5.1233 9.5010 125.8372 53.2958 45.7817 175.0647 68 H 6.0115 8.8955 117.2536 53.1745 32.3202 172.6950 69 L 5.2073 8.5766 122.9894 53.2818 44.6283 175.5411 70 V 4.4692 8.7421 125.6109 61.0767 34.5611 174.0900 71 L 5.0809 8.5682 128.0120 53.6869 42.6401 176.9572 72 R 4.1461 8.5357 120.3223 56.3119 29.8010 176.8095 73 L 4.1951 8.5314 120.1414 56.9949 42.1716 178.0220 74 R 3.3799 7.5354 113.7774 56.2249 29.6421 177.8357 75 G 4.1045 8.5916 110.7386 46.2538 0.0000 175.7816 76 G 3.6592 7.7018 107.7520 46.7840 0.0000 173.3352 77 D 4.8825 7.4646 124.4482 54.5784 41.2008 174.0882 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 8.16 4.48 0.00 2.08 2.24 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.51 0.00 2 Q 8.29 4.96 0.00 2.08 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.71 0.00 0.00 0.00 0.00 0.00 1.81 2.30 0.00 3 I 9.11 4.84 1.81 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.85 0.83 0.00 0.00 4 F 8.67 5.18 0.00 3.08 2.96 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 5 V 9.16 4.57 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 1.05 0.00 0.00 0.93 0.00 0.00 6 K 9.27 5.18 0.00 1.50 1.67 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.80 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.37 7.81 7 T 8.22 4.94 4.27 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 0.00 0.00 0.00 1.23 0.00 0.00 8 L 8.64 4.08 0.00 1.66 1.78 0.90 0.82 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 9 T 7.92 3.91 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 10 G 7.83 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.81 4.28 0.00 1.80 1.76 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.44 7.81 12 T 8.33 5.10 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 1.33 0.00 0.00 13 I 8.94 4.69 1.89 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 1.29 0.99 1.01 0.00 0.00 14 T 8.57 4.83 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 1.42 0.00 0.00 15 L 8.73 4.76 0.00 1.46 1.46 0.88 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.70 4.79 0.00 1.89 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 2.34 0.00 17 V 8.72 4.61 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 0.66 0.00 0.00 0.86 0.00 0.00 18 E 9.56 4.76 0.00 1.99 1.71 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 2.17 2.25 0.00 19 P 0.00 4.35 0.00 2.23 2.26 0.00 3.69 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.95 0.00 20 S 7.61 4.61 0.00 3.96 3.98 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 21 D 8.76 4.62 0.00 2.82 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 22 T 8.58 4.80 4.42 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 1.23 0.00 0.00 23 I 8.26 3.67 2.06 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.18 0.92 0.00 0.00 24 E 8.04 4.17 0.00 2.23 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 2.38 2.26 0.00 25 N 8.68 4.31 0.00 2.90 2.85 0.00 0.00 6.68 8.23 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 26 V 7.73 3.55 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.96 0.00 0.00 27 K 8.38 4.30 0.00 1.86 1.86 0.00 1.93 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.60 7.81 28 A 7.52 4.01 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 29 K 8.00 4.30 0.00 1.91 1.85 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.49 7.81 30 I 8.20 3.73 2.01 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.76 0.91 0.00 0.00 31 Q 7.58 4.16 0.00 2.25 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 32 D 8.13 4.10 0.00 2.86 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 33 K 7.99 4.16 0.00 1.82 1.82 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.46 7.81 34 E 8.40 4.52 0.00 1.99 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 2.23 2.36 0.00 35 G 8.78 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.15 4.52 1.87 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 1.42 0.94 0.91 0.00 0.00 37 P 0.00 4.30 0.00 2.17 2.09 0.00 3.60 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 38 P 0.00 4.32 0.00 2.22 2.48 0.00 3.69 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 39 D 8.09 4.59 0.00 2.81 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.06 4.61 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.91 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 41 Q 8.09 4.74 0.00 2.14 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.55 0.00 42 R 8.73 4.66 0.00 1.87 1.81 0.00 3.27 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 43 L 8.48 5.14 0.00 1.56 1.54 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.91 5.04 1.91 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.06 0.92 0.00 0.00 45 F 8.96 4.97 0.00 3.03 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.42 3.45 1.18 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 0.00 0.00 47 G 8.03 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.82 4.62 0.00 1.76 1.71 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.63 7.81 49 Q 8.34 4.78 0.00 1.93 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.83 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 50 L 8.46 4.29 0.00 1.43 1.42 0.77 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.62 4.59 0.00 2.01 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 2.35 2.45 0.00 52 D 9.08 4.49 0.00 2.72 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.49 3.64 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 0.00 0.00 0.00 54 R 7.82 4.02 0.00 1.92 1.62 0.00 3.07 0.00 0.00 3.32 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.40 0.00 55 T 8.33 5.08 4.34 0.00 0.00 0.00 0.00 0.00 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 56 L 8.30 3.96 0.00 1.69 1.72 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.96 4.07 0.00 4.04 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 D 7.77 4.22 0.00 2.33 2.29 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 59 Y 7.70 4.61 0.00 2.89 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 60 N 7.85 4.09 0.00 2.82 2.92 0.00 0.00 7.07 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 61 I 7.43 3.69 1.63 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.32 0.56 0.00 0.00 62 Q 7.98 4.29 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 7.10 0.00 0.00 0.00 0.00 0.00 2.47 2.55 0.00 63 K 8.30 4.01 0.00 1.86 1.80 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.45 7.81 64 E 9.37 3.95 0.00 2.14 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 0.00 2.39 2.81 0.00 65 S 7.54 4.56 0.00 3.95 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 66 T 8.72 5.25 4.34 0.00 0.00 0.00 0.00 0.00 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 67 L 9.50 5.12 0.00 1.61 1.57 0.88 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.90 6.01 0.00 3.09 3.17 0.00 5.56 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 69 L 8.58 5.21 0.00 1.61 1.54 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.74 4.47 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 0.93 0.00 0.00 0.93 0.00 0.00 71 L 8.57 5.08 0.00 1.57 1.58 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.54 4.15 0.00 1.83 1.93 0.00 3.18 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 73 L 8.53 4.20 0.00 1.66 1.76 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.54 3.38 0.00 1.87 1.90 0.00 3.18 0.00 0.00 3.34 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 75 G 8.59 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 76 G 7.70 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 D 7.46 4.88 0.00 3.04 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00