NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3666 8.2644 123.5919 51.5249 19.9793 176.4151 2 R 3.8243 8.5290 122.0698 55.4558 30.8011 174.4733 3 K 4.5887 8.5351 126.0989 56.5630 34.5992 174.7910 4 F 5.7444 8.1642 119.2058 56.2744 41.1587 172.6151 5 Y 4.8957 8.3069 116.1557 56.1048 41.4694 173.5225 6 V 4.3704 8.5915 121.0727 62.3936 33.0402 175.1974 7 D 4.9046 9.1107 128.5213 53.0801 40.6020 176.8998 8 Q 4.1500 8.8205 126.2218 58.4132 29.2731 178.7127 9 D 4.4376 8.4190 117.2669 56.8719 40.9596 176.9474 10 E 4.2381 7.7488 118.3618 57.1634 30.2912 175.8416 11 C 3.9525 7.3937 118.0127 60.3120 32.0165 172.9506 12 I 4.1450 8.5521 126.4556 60.4044 37.1418 175.5991 13 A 3.8771 8.2289 121.4013 52.7976 16.0932 179.3028 14 C 3.9585 7.3319 114.3528 61.1618 29.6089 175.0691 15 E 3.8320 7.9448 117.0502 56.8292 27.8617 176.0497 16 S 4.0867 7.9350 116.2684 61.9146 62.6827 176.1973 17 C 3.7552 7.7183 116.4648 61.0283 29.0513 175.9489 18 V 3.6767 7.5038 119.5437 65.4923 31.2761 177.5113 19 E 4.1008 7.9238 117.8866 59.4641 29.4226 179.0117 20 I 3.9781 7.8180 118.6728 62.8905 38.8334 176.5001 21 A 5.0722 8.4605 121.2535 48.7038 18.5576 174.6579 22 P 4.4465 0.0000 0.0000 64.1449 32.3847 178.8642 23 G 3.7435 8.1537 107.1939 46.6981 0.0000 174.6515 24 A 4.5474 7.9801 120.9401 52.3376 21.3847 176.6242 25 F 5.2133 8.3132 112.2130 55.8572 41.8926 175.2823 26 A 4.6913 8.1139 121.6329 50.6755 23.0648 175.0442 27 M 4.6740 8.4857 119.1198 54.6367 33.5302 175.9316 28 D 4.8027 9.4375 124.2282 52.6435 41.3671 175.2865 29 P 4.3315 0.0000 0.0000 65.0873 31.3795 176.8490 30 E 4.5292 8.0578 116.5567 56.0235 30.5828 176.2785 31 I 4.2715 7.8307 110.0907 59.5628 38.9068 174.8947 32 E 3.8565 8.2853 119.8335 57.8991 27.5144 174.1681 33 K 4.8694 7.6964 114.9177 54.4747 36.7928 176.6255 34 A 5.0170 8.6464 124.0715 52.0577 20.1159 176.0342 35 Y 4.9701 8.4703 116.7411 55.3339 42.3716 174.3813 36 V 3.9879 8.5304 120.7434 62.5996 31.2896 175.7500 37 K 4.3730 8.5833 128.4295 58.4998 33.9607 176.9849 38 D 4.3903 7.5330 120.2929 53.0772 43.4356 176.0622 39 V 3.2496 8.3907 127.1232 63.9899 31.9315 176.6120 40 E 4.5097 8.3700 118.6132 56.2879 29.5652 176.8718 41 G 3.9429 8.2970 106.8195 44.6558 0.0000 173.5412 42 A 4.5585 7.2897 119.9110 49.5186 22.4776 177.5320 43 S 4.4787 8.3522 115.6435 57.9207 65.4111 175.2993 44 Q 4.1227 8.5587 122.2761 59.4573 28.7797 177.9852 45 E 4.2159 8.1703 119.2431 59.1936 29.2585 178.6657 46 E 3.9785 8.1161 119.4309 58.8193 29.5665 179.0055 47 V 3.4674 7.8148 118.5215 65.9639 31.5204 177.8106 48 E 3.8662 8.2145 118.2962 59.3100 29.3179 178.8224 49 E 3.8558 8.2967 119.0749 59.4417 29.6841 178.9142 50 A 3.8575 7.8107 120.3476 55.2459 18.1463 179.5335 51 M 3.7841 7.8706 116.7420 58.6254 32.0663 178.4823 52 D 4.4397 8.1964 118.3038 57.3116 41.0513 178.5931 53 T 4.1739 7.7548 115.7611 64.8729 68.6768 174.0082 54 C 3.6998 7.5817 121.6797 58.8642 31.5314 172.5677 55 P 4.1622 0.0000 0.0000 65.3062 30.9280 177.4948 56 V 4.1030 7.6774 109.2782 60.0045 32.2147 175.6330 57 Q 3.1594 7.6637 118.4474 57.2479 26.6300 173.8874 58 C 4.5082 7.5390 109.7078 58.1365 31.7961 174.1575 59 I 4.6325 7.3228 121.1075 60.3619 38.1811 174.6941 60 H 4.8286 8.2020 123.4273 53.4710 32.6133 173.3531 61 W 5.1213 8.6835 120.3344 56.8075 30.3952 176.3025 62 E 4.6468 9.6268 123.2977 55.3944 30.0394 174.2793 63 D 4.6802 8.8711 126.1312 55.7558 42.2137 176.8330 64 E 4.1775 8.1482 120.1196 56.5164 29.7182 176.3969 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 A 8.26 4.37 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.53 3.82 0.00 1.69 1.67 0.00 2.59 0.00 0.00 2.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.45 0.00 3 K 8.54 4.59 0.00 1.99 1.93 0.00 1.75 0.00 0.00 1.91 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.44 7.81 4 F 8.16 5.74 0.00 2.81 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 5 Y 8.31 4.90 0.00 3.09 3.07 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 0.00 0.00 0.00 0.00 6 V 8.59 4.37 2.26 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 0.93 0.00 0.00 1.16 0.00 0.00 7 D 9.11 4.90 0.00 3.02 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 8 Q 8.82 4.15 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.44 6.65 0.00 0.00 0.00 0.00 0.00 2.62 2.50 0.00 9 D 8.42 4.44 0.00 2.92 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 10 E 7.75 4.24 0.00 1.89 2.14 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 2.29 2.28 0.00 11 C 7.39 3.95 0.00 3.04 3.01 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 12 I 8.55 4.15 1.85 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 1.34 0.60 0.89 0.00 0.00 13 A 8.23 3.88 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 C 7.33 3.96 0.00 3.16 3.07 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 0.00 0.00 0.00 0.00 15 E 7.94 3.83 0.00 2.33 2.12 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 2.19 2.46 0.00 16 S 7.93 4.09 0.00 3.74 3.84 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 17 C 7.72 3.76 0.00 1.58 2.42 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 18 V 7.50 3.68 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 0.90 0.00 0.00 0.90 0.00 0.00 19 E 7.92 4.10 0.00 2.14 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 2.32 2.46 0.00 20 I 7.82 3.98 1.78 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.53 0.96 0.00 0.00 21 A 8.46 5.07 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.45 0.00 2.20 2.35 0.00 3.79 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 2.00 1.97 0.00 23 G 8.15 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.98 4.55 1.11 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 0.00 0.00 25 F 8.31 5.21 0.00 2.97 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.11 4.69 0.96 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 27 M 8.49 4.67 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.48 0.00 28 D 9.44 4.80 0.00 2.84 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 29 P 0.00 4.33 0.00 2.24 2.22 0.00 3.84 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 30 E 8.06 4.53 0.00 1.89 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 2.25 2.26 0.00 31 I 7.83 4.27 1.89 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 1.69 0.68 0.91 0.00 0.00 32 E 8.29 3.86 0.00 2.15 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 0.00 2.27 2.42 0.00 33 K 7.70 4.87 0.00 1.71 1.71 0.00 1.86 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.66 1.39 7.81 34 A 8.65 5.02 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 35 Y 8.47 4.97 0.00 3.03 3.06 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 36 V 8.53 3.99 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 0.46 0.00 0.00 0.82 0.00 0.00 37 K 8.58 4.37 0.00 1.79 1.68 0.00 1.68 0.00 0.00 1.56 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.26 1.41 7.81 38 D 7.53 4.39 0.00 2.70 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 39 V 8.39 3.25 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 0.74 0.00 0.00 0.28 0.00 0.00 40 E 8.37 4.51 0.00 2.18 2.02 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 2.27 2.40 0.00 41 G 8.30 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.29 4.56 1.27 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 0.00 0.00 0.00 43 S 8.35 4.48 0.00 4.09 4.04 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 0.00 0.00 0.00 0.00 44 Q 8.56 4.12 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.94 0.00 0.00 0.00 0.00 0.00 2.58 2.69 0.00 45 E 8.17 4.22 0.00 2.03 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 2.42 2.32 0.00 46 E 8.12 3.98 0.00 2.01 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 0.00 2.32 2.31 0.00 47 V 7.81 3.47 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 -0.11 0.00 0.00 0.51 0.00 0.00 48 E 8.21 3.87 0.00 2.27 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 2.65 2.74 0.00 49 E 8.30 3.86 0.00 2.12 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 0.00 2.26 2.31 0.00 50 A 7.81 3.86 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 M 7.87 3.78 0.00 1.73 2.03 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.17 0.00 52 D 8.20 4.44 0.00 2.69 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 53 T 7.75 4.17 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 1.13 0.00 0.00 54 C 7.58 3.70 0.00 2.79 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.16 0.00 2.18 2.13 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.94 0.00 56 V 7.68 4.10 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 0.73 0.00 0.00 0.97 0.00 0.00 57 Q 7.66 3.16 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 58 C 7.54 4.51 0.00 3.09 3.12 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 59 I 7.32 4.63 1.62 0.00 0.00 0.46 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 0.44 0.92 0.00 0.00 60 H 8.20 4.83 0.00 2.47 3.06 0.00 5.80 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 61 W 8.68 5.12 0.00 3.23 3.04 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 0.00 0.00 0.00 0.00 62 E 9.63 4.65 0.00 2.35 2.12 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 2.31 2.57 0.00 63 D 8.87 4.68 0.00 2.74 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 64 E 8.15 4.18 0.00 2.12 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 2.36 2.36 0.00