NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4688 8.2931 120.3284 55.3370 33.2807 174.2709 2 G 4.0244 8.2304 111.0329 42.8328 0.0000 172.0023 3 H 4.4819 8.1465 116.1948 54.7022 27.6524 171.6311 4 H 4.7119 7.8427 120.2826 55.5651 28.3727 175.0762 5 H 4.9063 8.0892 118.7961 54.7182 30.9352 173.0493 6 H 4.8803 8.1651 116.6554 54.2648 31.2050 172.2394 7 H 4.4181 8.6092 118.9639 56.0497 32.3712 172.4721 8 H 4.8664 8.4437 124.6684 55.2085 32.6697 172.3400 9 S 4.7113 7.6416 118.5899 57.4781 65.7939 172.7955 10 H 4.5315 8.1501 113.7167 55.8325 30.0621 173.0617 11 M 4.6912 8.3959 119.4178 54.7712 34.9584 174.6667 12 S 4.3813 8.3331 117.6357 57.9589 64.7327 173.9909 13 T 4.4480 8.2912 116.2085 58.8983 70.2110 172.8475 14 P 4.1975 0.0000 0.0000 63.0692 31.5913 176.1569 15 L 4.5204 8.2545 123.0693 53.5245 43.7513 175.5784 16 T 4.2743 8.0654 114.3769 61.0884 69.2596 172.8902 17 G 3.8015 9.3251 109.5262 45.8676 0.0000 172.2674 18 K 4.6809 7.7189 122.6082 54.2755 36.2158 176.1734 19 P 4.7461 0.0000 0.0000 64.4934 34.7046 175.0647 20 G 4.0562 8.5770 115.0088 47.2330 0.0000 174.4763 21 A 4.2634 8.9099 119.3152 51.2728 20.1350 178.8237 22 L 4.2518 8.1395 119.9273 53.6063 42.4015 175.6561 23 P 4.2385 0.0000 0.0000 62.9718 31.4773 177.2743 24 A 4.1790 8.6388 125.2063 53.3873 18.9893 176.9614 25 N 5.3533 7.4386 112.9866 52.0593 39.4086 177.5599 26 L 4.0185 8.1627 120.5590 58.1749 41.9263 179.6468 27 D 4.4030 8.0570 116.6079 57.3203 41.0028 177.5100 28 D 4.4240 7.9689 118.3619 56.6921 41.0536 176.5433 29 M 4.6006 7.2597 118.5746 54.0740 33.5714 176.1618 30 K 4.3751 8.1098 118.4204 55.6913 34.5575 178.2380 31 V 3.5691 8.2941 120.2148 66.2365 31.3125 178.0703 32 A 3.9735 7.9964 119.8861 55.3505 18.1924 179.2278 33 E 3.9019 8.1468 116.4214 59.5115 29.4926 179.4668 34 L 3.9669 7.7462 118.5656 57.8607 41.7024 179.7371 35 K 3.9149 8.2376 118.4626 59.2688 31.9284 179.2589 36 Q 3.9013 8.2989 120.2202 59.3228 28.6814 178.0521 37 E 3.9600 8.2713 119.6302 59.3421 29.3663 179.4244 38 L 3.7777 8.1234 119.2801 57.6274 41.7998 179.4800 39 K 3.8354 8.1025 118.7187 60.3073 32.1214 178.9951 40 L 4.1078 7.6578 118.1946 56.4184 41.4490 178.5941 41 R 4.3563 6.8243 116.0683 55.2415 30.4166 176.3284 42 S 3.7817 7.4783 110.8989 58.8722 61.4947 170.8009 43 L 4.4243 7.6476 118.4017 52.3524 42.4614 174.9274 44 P 4.3835 0.0000 0.0000 63.1534 31.7772 176.7281 45 V 4.2781 8.0626 115.9701 61.7562 32.1237 178.2026 46 S 4.2280 8.0813 116.5531 61.4006 63.3487 176.5556 47 G 3.8241 7.5884 108.4726 45.1540 0.0000 173.0704 48 T 4.2263 8.1377 110.3020 60.4612 71.1044 174.8188 49 K 3.7906 8.5688 120.7971 60.3361 31.8571 178.3093 50 T 3.8381 7.8790 115.0439 66.4967 68.3124 175.7514 51 E 3.9082 7.7326 119.9397 59.4650 29.6484 178.8312 52 L 3.9584 8.1533 118.9136 57.8956 41.7515 179.4547 53 I 3.6859 7.8424 119.5664 64.8072 37.0987 178.4659 54 E 4.0899 8.4869 119.0217 58.9905 29.1750 179.3979 55 R 3.9642 8.2690 119.6266 59.1391 30.1125 178.4535 56 L 4.0219 8.0187 118.9544 57.9070 41.5783 179.6974 57 R 3.9577 7.9285 117.2690 59.2246 29.4933 178.9661 58 A 4.0217 8.4645 121.0168 55.2039 18.3692 179.0609 59 Y 4.0290 8.3158 118.1552 60.8809 38.9054 177.9710 60 Q 3.9068 8.2823 120.4717 59.3708 28.9702 177.8609 61 D 4.5042 8.2924 117.8371 56.8202 41.1552 177.9340 62 Q 4.1657 7.2138 117.0001 58.5044 29.3087 177.9433 63 I 3.9877 7.3168 112.0720 62.6645 38.4720 176.0182 64 S 4.4479 8.0732 111.8155 57.3172 63.7288 173.4074 65 P 4.7970 0.0000 0.0000 62.8670 31.4264 176.9549 66 V 4.5569 7.6560 111.1404 59.8667 34.7238 175.3139 67 P 4.6072 0.0000 0.0000 62.8191 30.5504 177.0417 68 G 3.7754 10.0124 107.3389 45.4157 0.0000 173.0509 69 A 4.5804 7.2748 122.7227 50.3784 22.6375 174.9775 70 P 4.3513 0.0000 0.0000 62.8353 31.7298 177.5377 71 K 4.5180 8.6024 122.8523 56.1218 31.9722 176.5278 72 A 4.5269 7.6848 118.8680 50.7300 22.2918 177.0092 73 P 4.5280 0.0000 0.0000 61.8957 28.7704 175.3601 74 A 4.3392 7.4225 122.6521 51.5926 22.1662 176.6781 75 A 4.2528 8.5327 119.9821 52.6725 18.9722 177.5449 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 8.29 4.47 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 2 G 8.23 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 0.00 0.00 0.00 3 H 8.15 4.48 0.00 3.37 3.38 0.00 5.52 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 H 7.84 4.71 0.00 3.31 3.39 0.00 5.56 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 H 8.09 4.91 0.00 3.21 3.25 0.00 5.67 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 H 8.17 4.88 0.00 3.24 3.26 0.00 5.57 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 H 8.61 4.42 0.00 3.08 3.18 0.00 5.74 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 H 8.44 4.87 0.00 3.09 3.10 0.00 5.97 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.64 4.71 0.00 3.95 3.76 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 0.00 0.00 0.00 10 H 8.15 4.53 0.00 3.21 3.27 0.00 5.73 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 M 8.40 4.69 0.00 1.92 1.89 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 12 S 8.33 4.38 0.00 3.99 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 13 T 8.29 4.45 4.24 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 0.00 0.00 1.21 0.00 0.00 14 P 0.00 4.20 0.00 2.06 2.06 0.00 3.66 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 15 L 8.25 4.52 0.00 1.63 1.60 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 16 T 8.07 4.27 4.24 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 0.00 0.00 1.21 0.00 0.00 17 G 9.33 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 18 K 7.72 4.68 0.00 1.81 1.73 0.00 1.57 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.29 1.40 7.81 19 P 0.00 4.75 0.00 2.21 2.13 0.00 3.88 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 1.98 1.96 0.00 20 G 8.58 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 21 A 8.91 4.26 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 22 L 8.14 4.25 0.00 1.67 1.64 1.00 1.09 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 23 P 0.00 4.24 0.00 2.18 1.99 0.00 3.60 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 2.12 2.09 0.00 24 A 8.64 4.18 1.28 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 0.00 0.00 25 N 7.44 5.35 0.00 2.90 2.87 0.00 0.00 7.52 6.62 0.00 0.00 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 L 8.16 4.02 0.00 1.71 1.73 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 27 D 8.06 4.40 0.00 2.65 2.73 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 28 D 7.97 4.42 0.00 2.90 2.71 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 29 M 7.26 4.60 0.00 1.95 2.02 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.50 0.00 30 K 8.11 4.38 0.00 1.79 1.71 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.48 7.81 31 V 8.29 3.57 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 1.20 0.00 0.00 0.93 0.00 0.00 32 A 8.00 3.97 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 33 E 8.15 3.90 0.00 2.06 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 2.57 2.35 0.00 34 L 7.75 3.97 0.00 1.83 1.70 0.96 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 35 K 8.24 3.91 0.00 1.94 1.84 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.65 7.81 36 Q 8.30 3.90 0.00 2.23 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 37 E 8.27 3.96 0.00 2.15 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 2.47 2.49 0.00 38 L 8.12 3.78 0.00 1.79 1.81 0.98 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.10 3.84 0.00 1.95 2.05 0.00 1.45 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.62 1.46 7.81 40 L 7.66 4.11 0.00 1.61 1.75 0.91 1.02 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 41 R 6.82 4.36 0.00 1.31 1.07 0.00 3.03 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.66 0.00 42 S 7.48 3.78 0.00 4.01 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 43 L 7.65 4.42 0.00 1.56 1.47 0.52 1.24 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 44 P 0.00 4.38 0.00 2.16 2.05 0.00 3.72 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 45 V 8.06 4.28 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 0.74 0.00 0.00 0.92 0.00 0.00 46 S 8.08 4.23 0.00 3.85 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 47 G 7.59 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 0.00 0.00 0.00 48 T 8.14 4.23 4.24 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 0.00 0.00 1.21 0.00 0.00 49 K 8.57 3.79 0.00 1.84 1.86 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.51 1.55 7.81 50 T 7.88 3.84 4.24 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 0.00 0.00 1.24 0.00 0.00 51 E 7.73 3.91 0.00 2.08 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 0.00 2.31 2.51 0.00 52 L 8.15 3.96 0.00 1.82 1.70 0.91 1.07 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 53 I 7.84 3.69 2.03 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 1.52 1.25 0.92 0.00 0.00 54 E 8.49 4.09 0.00 2.01 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 2.33 2.49 0.00 55 R 8.27 3.96 0.00 2.17 2.09 0.00 3.16 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 56 L 8.02 4.02 0.00 1.98 1.73 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 57 R 7.93 3.96 0.00 2.04 2.00 0.00 3.14 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 58 A 8.46 4.02 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 59 Y 8.32 4.03 0.00 3.16 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.28 3.91 0.00 2.27 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 61 D 8.29 4.50 0.00 2.76 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 62 Q 7.21 4.17 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.88 0.00 0.00 0.00 0.00 0.00 2.32 2.55 0.00 63 I 7.32 3.99 1.70 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.41 0.37 0.00 0.00 64 S 8.07 4.45 0.00 3.74 3.90 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 65 P 0.00 4.80 0.00 2.20 2.25 0.00 3.73 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 66 V 7.66 4.56 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 0.71 0.00 0.00 1.01 0.00 0.00 67 P 0.00 4.61 0.00 2.04 2.07 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 68 G 10.01 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.27 4.58 1.20 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 0.00 0.00 0.00 70 P 0.00 4.35 0.00 2.19 2.00 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 71 K 8.60 4.52 0.00 1.73 1.81 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.42 7.81 72 A 7.68 4.53 1.19 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 0.00 0.00 73 P 0.00 4.53 0.00 2.05 2.03 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 74 A 7.42 4.34 1.20 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 0.00 0.00 0.00 75 A 8.53 4.25 1.24 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 0.00 0.00 0.00 0.00 0.00