NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 K 4.2098 8.3144 121.7975 55.7680 34.1710 175.3770 11 K 4.0865 8.1254 120.4419 54.7329 32.6049 173.9194 12 P 4.3491 0.0000 0.0000 62.8480 33.0399 177.1451 13 V 2.3794 8.2606 120.8470 65.7369 31.5451 177.3024 14 N 4.6012 8.0613 114.2244 54.5387 38.3952 175.2761 15 S 4.7970 7.9943 113.5697 57.8036 64.1493 174.4413 16 W 4.7664 8.2607 122.4364 56.9110 29.6977 176.1067 17 T 4.8907 9.6756 114.0402 60.7687 71.3347 175.2803 18 C 4.4393 9.1478 119.2849 60.4502 39.8740 176.5269 19 E 3.9270 7.9865 119.1490 59.4777 29.4846 178.7109 20 D 4.1262 7.6159 117.4723 57.3066 40.7508 178.6892 21 F 3.9953 7.9113 120.7146 61.2628 39.1008 177.0028 22 L 3.8341 7.8970 116.9389 56.6710 41.4990 178.3330 23 A 4.1347 7.1869 118.7379 51.8404 19.0971 177.5428 24 V 3.5887 6.4794 117.9510 61.7324 32.3502 175.3108 25 D 4.3599 8.7166 125.9803 54.5036 41.4136 176.5080 26 E 3.9885 9.0561 126.2761 59.5789 29.5585 179.3375 27 S 4.0199 8.1598 111.6989 60.2202 63.3598 175.2986 28 F 4.7410 8.2288 119.0261 57.4225 39.1190 177.2936 29 Q 4.2146 7.7195 120.4212 58.5432 28.4780 176.6717 30 P 4.6123 0.0000 0.0000 65.0987 31.2714 178.8559 31 T 4.0524 8.1125 114.3736 66.5812 68.4628 176.4632 32 A 4.1679 8.4089 122.8325 55.1349 18.4238 179.9588 33 V 3.8232 8.3753 116.9432 66.3046 31.6481 178.6056 34 G 3.6149 8.4596 105.6296 47.5285 0.0000 175.4338 35 F 3.9463 8.7796 123.0947 61.1625 39.4617 177.0370 36 A 3.9120 8.4488 120.6713 55.0143 17.8661 179.1958 37 E 3.5154 7.9033 116.5031 59.2168 29.7902 178.4831 38 A 3.9313 7.6800 119.5491 55.1177 18.4787 178.7434 39 L 3.7478 7.3861 117.3957 56.5723 42.5481 178.0003 40 N 4.3058 8.7474 115.6242 53.6485 38.9844 175.4787 41 N 4.4266 8.3381 123.4752 53.8464 38.6155 173.5427 42 K 4.6690 8.3616 120.2030 54.2688 37.6988 174.8828 43 D 4.4587 9.0227 124.1491 53.6354 38.1467 178.6840 44 K 4.6261 5.6600 115.2057 53.2743 35.7483 175.0363 45 P 4.2278 0.0000 0.0000 66.0083 31.3691 178.5302 46 E 4.0359 8.1426 115.4975 58.4749 29.5117 177.1620 47 D 4.6653 8.1084 116.8292 53.9475 42.2309 176.6477 48 A 3.9938 7.4023 123.0142 52.5195 18.6273 176.9204 49 V 4.2619 8.1771 122.4336 60.8484 33.7158 174.7265 50 L 4.3812 8.3288 127.3553 53.6818 42.6201 176.3436 51 D 4.7491 8.3457 127.0387 52.9268 41.0471 176.2797 52 V 3.7111 8.1145 126.6185 65.4385 31.6637 177.2330 53 Q 4.1082 8.1757 119.4712 58.8983 28.9657 178.0073 54 G 3.6065 8.2881 106.6765 48.0378 0.0000 175.8136 55 I 4.1437 8.3173 122.3972 64.0051 36.8840 178.4517 56 A 4.0892 8.0492 121.0120 55.4032 18.2597 179.5576 57 T 4.0635 8.1578 114.1466 66.4555 68.9109 177.0619 58 V 3.9429 8.2984 120.2163 63.5322 31.9319 178.5781 59 T 4.0572 7.7768 117.6180 66.4722 68.3356 174.5812 60 P 4.4317 0.0000 0.0000 65.4932 31.3216 178.3444 61 A 4.0375 8.0988 119.0501 55.4789 18.3002 179.6570 62 I 3.8169 8.0852 118.3741 64.4358 37.2075 178.8524 63 V 3.9954 8.3943 119.4909 66.0423 31.2270 177.9617 64 Q 3.9311 8.4964 119.1695 59.2687 28.7939 177.7332 65 A 4.0575 8.2227 120.7836 55.7700 18.1263 178.7664 66 C 4.5380 8.9154 115.1188 60.2777 40.0317 176.4440 67 T 3.8534 7.7376 116.8214 66.4854 68.0939 175.2325 68 Q 4.3636 7.7890 117.5305 56.5689 29.8027 175.9209 69 D 4.8159 7.5872 116.8533 52.9048 41.9305 175.5948 70 K 4.2887 8.0727 121.5056 58.5696 33.5632 179.3630 71 Q 4.6086 8.0941 116.4046 55.4966 29.5778 175.8757 72 A 4.3185 8.0897 122.4597 51.3398 20.2520 177.0413 73 N 4.8410 8.6858 118.6469 53.2335 39.8801 175.4014 74 F 4.2871 9.2883 128.4547 61.7261 39.5007 177.3209 75 K 3.3612 8.0546 118.2532 59.1794 31.8848 178.3226 76 D 4.3351 8.2655 119.5202 57.0118 40.6846 178.7621 77 K 3.9416 8.0454 119.1398 59.1707 31.9148 179.6151 78 V 3.4365 7.5569 118.7864 65.9197 31.3749 178.2073 79 K 4.1643 7.9478 118.3733 59.3942 31.9210 179.5228 80 G 3.5540 8.3486 106.0860 47.8984 0.0000 175.3747 81 E 3.9872 8.2612 121.1784 58.7927 29.6490 179.0888 82 W 4.1089 8.2147 126.9437 60.4444 30.7564 177.5679 83 D 4.4977 7.7320 117.6214 56.8557 41.7446 178.3381 84 K 4.1947 7.6463 118.9628 56.5942 28.4835 176.6254 85 I 3.3871 7.3248 124.1317 61.9019 37.2951 174.3852 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 10 K 8.31 4.21 0.00 1.75 1.92 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.40 7.81 11 K 8.13 4.09 0.00 2.00 2.14 0.00 1.85 0.00 0.00 1.91 0.00 0.00 2.99 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.58 1.61 7.81 12 P 0.00 4.35 0.00 2.25 2.00 0.00 3.74 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.13 0.00 13 V 8.26 2.38 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 0.64 0.00 0.00 0.40 0.00 0.00 14 N 8.06 4.60 0.00 2.74 2.84 0.00 0.00 6.73 7.57 0.00 0.00 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 S 7.99 4.80 0.00 4.06 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 16 W 8.26 4.77 0.00 3.65 3.23 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 0.00 17 T 9.68 4.89 4.47 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 1.28 0.00 0.00 18 C 9.15 4.44 0.00 3.32 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 E 7.99 3.93 0.00 1.94 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 2.35 2.63 0.00 20 D 7.62 4.13 0.00 2.46 1.54 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 21 F 7.91 4.00 0.00 2.39 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 22 L 7.90 3.83 0.00 1.74 1.65 0.99 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.19 4.13 1.17 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 0.00 0.00 24 V 6.48 3.59 2.00 0.00 0.00 0.00 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 0.76 0.00 0.00 25 D 8.72 4.36 0.00 2.83 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 26 E 9.06 3.99 0.00 1.98 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 2.28 0.00 27 S 8.16 4.02 0.00 3.51 3.77 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 28 F 8.23 4.74 0.00 3.10 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 29 Q 7.72 4.21 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.41 6.79 0.00 0.00 0.00 0.00 0.00 1.52 2.31 0.00 30 P 0.00 4.61 0.00 2.24 2.21 0.00 4.06 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 2.14 2.11 0.00 31 T 8.11 4.05 4.75 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 1.41 0.00 0.00 32 A 8.41 4.17 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 0.00 0.00 0.00 0.00 0.00 33 V 8.38 3.82 2.44 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 1.10 0.00 0.00 1.28 0.00 0.00 34 G 8.46 3.61 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 0.00 0.00 0.00 35 F 8.78 3.95 0.00 3.33 3.24 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 36 A 8.45 3.91 1.21 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 0.00 0.00 37 E 7.90 3.52 0.00 1.92 1.67 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 1.68 1.77 0.00 38 A 7.68 3.93 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.39 3.75 0.00 1.66 1.60 0.89 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 40 N 8.75 4.31 0.00 2.74 2.40 0.00 0.00 7.14 6.71 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 41 N 8.34 4.43 0.00 2.56 2.55 0.00 0.00 6.50 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 42 K 8.36 4.67 0.00 1.72 1.58 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.16 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.26 1.25 7.81 43 D 9.02 4.46 0.00 2.77 2.28 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 44 K 5.66 4.63 0.00 1.93 1.67 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.31 1.34 7.81 45 P 0.00 4.23 0.00 2.13 2.08 0.00 3.56 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 2.08 2.08 0.00 46 E 8.14 4.04 0.00 1.92 2.00 0.00 0.00 0.00 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 2.37 0.00 47 D 8.11 4.67 0.00 2.65 2.68 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 0.00 0.00 0.00 0.00 48 A 7.40 3.99 1.21 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 0.00 0.00 49 V 8.18 4.26 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 0.86 0.00 0.00 0.97 0.00 0.00 50 L 8.33 4.38 0.00 1.61 1.57 0.95 1.18 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 51 D 8.35 4.75 0.00 2.99 2.89 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 52 V 8.11 3.71 2.13 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 1.02 0.00 0.00 0.97 0.00 0.00 53 Q 8.18 4.11 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 54 G 8.29 3.61 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 0.00 0.00 0.00 55 I 8.32 4.14 2.01 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.10 1.08 0.00 0.00 56 A 8.05 4.09 1.42 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 0.00 0.00 0.00 57 T 8.16 4.06 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 1.17 0.00 0.00 58 V 8.30 3.94 2.00 0.00 0.00 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 1.05 0.00 0.00 59 T 7.78 4.06 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 1.49 0.00 0.00 60 P 0.00 4.43 0.00 2.20 2.15 0.00 3.85 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.21 0.00 61 A 8.10 4.04 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 62 I 8.09 3.82 2.22 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.77 0.87 0.00 0.00 63 V 8.39 4.00 2.34 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 1.04 0.00 0.00 1.17 0.00 0.00 64 Q 8.50 3.93 0.00 2.21 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.52 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 65 A 8.22 4.06 1.43 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 0.00 0.00 0.00 66 C 8.92 4.54 0.00 3.44 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.74 3.85 4.52 0.00 0.00 0.00 0.00 0.00 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 68 Q 7.79 4.36 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.23 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 69 D 7.59 4.82 0.00 2.69 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 70 K 8.07 4.29 0.00 1.78 1.87 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.84 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.56 1.64 7.81 71 Q 8.09 4.61 0.00 1.95 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.04 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 72 A 8.09 4.32 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 73 N 8.69 4.84 0.00 2.79 2.75 0.00 0.00 6.57 7.71 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 74 F 9.29 4.29 0.00 3.44 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.05 3.36 0.00 1.60 1.69 0.00 1.85 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.63 7.81 76 D 8.27 4.34 0.00 2.88 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 77 K 8.05 3.94 0.00 1.92 1.86 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.66 7.81 78 V 7.56 3.44 1.81 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 0.90 0.00 0.00 0.01 0.00 0.00 79 K 7.95 4.16 0.00 1.93 1.82 0.00 1.85 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.47 1.59 7.81 80 G 8.35 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 81 E 8.26 3.99 0.00 2.08 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 0.00 2.52 2.53 0.00 82 W 8.21 4.11 0.00 3.53 3.29 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 83 D 7.73 4.50 0.00 2.88 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 84 K 7.65 4.19 0.00 1.78 1.74 0.00 1.94 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.46 7.81 85 I 7.32 3.39 1.78 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.46 0.79 0.00 0.00