NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9757 8.3549 109.7355 45.1446 0.0000 177.5712 2 S 4.3498 8.6064 116.2000 57.3620 64.7767 170.0592 3 T 3.9826 8.8549 120.5422 63.7638 69.5892 172.1310 4 M 3.2264 8.6001 130.4991 54.5616 31.7690 177.6767 5 A 4.2635 8.2032 124.8099 50.9316 16.8495 176.0372 6 E 4.5949 7.7017 119.0184 55.3768 30.6402 174.4331 7 E 4.7754 8.1824 130.6567 54.5339 30.6323 175.3698 8 V 4.5989 7.8121 116.9170 61.2420 35.2361 173.3021 9 V 5.0508 8.5709 126.5908 60.0118 34.9701 174.7741 10 V 5.0887 9.0707 115.8012 59.7805 35.9210 174.8377 11 V 4.7192 8.6646 123.5287 60.1215 34.0089 174.5941 12 A 5.4483 8.8182 125.1747 50.8060 19.8049 178.1346 13 K 3.9532 8.8456 120.5140 57.5125 33.6976 175.9352 14 F 5.1788 8.1361 116.5335 55.6563 42.7941 173.8225 15 D 5.1267 8.8662 118.0852 52.6524 41.5362 175.2429 16 Y 4.5618 8.1939 120.0012 56.2324 42.7754 173.6014 17 V 3.9037 7.1366 124.5228 60.6847 32.8688 173.3227 18 A 3.9873 8.3617 132.2266 51.5830 17.7045 176.5952 19 Q 3.7750 9.2785 119.9393 60.4037 29.9528 177.9626 20 Q 4.3482 9.4777 116.9672 54.9569 29.7050 177.3988 21 E 4.0799 8.5945 118.1914 58.9606 29.7214 178.0909 22 Q 4.1151 8.0119 120.7602 58.5642 29.5295 175.5038 23 E 4.7603 7.7856 116.1903 55.6195 30.4697 176.0935 24 L 4.9539 8.5151 123.4164 53.1967 44.1820 175.7210 25 D 4.7742 8.8542 125.6914 53.4627 40.4673 175.1066 26 I 4.8415 8.0292 113.6769 58.5134 41.0768 174.1180 27 K 4.6242 8.2753 120.8541 54.5145 35.7030 174.6947 28 K 4.0565 8.6254 127.7037 57.6199 32.6232 175.6656 29 N 4.2884 8.9707 127.2739 54.6841 37.2995 172.9365 30 E 4.5544 7.8730 116.8867 53.9728 32.1207 174.7618 31 R 4.2777 8.4515 126.4493 55.5177 30.7696 175.5948 32 L 4.4648 8.8061 125.2062 52.6293 44.4884 176.1568 33 W 4.8006 8.6844 123.6448 55.6209 30.2098 175.5273 34 L 4.3669 8.7467 128.8143 55.5525 41.5408 175.5947 35 L 4.4679 9.1630 126.5208 55.9472 43.1248 176.2772 36 D 4.8394 7.8626 121.0193 51.7993 43.8234 175.4164 37 D 4.7959 8.2966 128.7643 52.9416 39.7252 176.4611 38 S 4.5599 8.1546 114.2032 60.7955 64.1089 174.3216 39 K 4.3915 8.1267 117.3624 55.9368 32.7599 177.2420 40 S 4.2764 8.6646 117.6759 60.9275 62.9520 175.3607 41 W 4.6425 8.0961 118.6329 55.4843 30.2591 176.2495 42 W 5.0363 9.3310 125.3249 56.0814 29.9236 175.5919 43 R 4.4561 9.5709 127.4953 56.1158 30.7181 175.7913 44 V 5.0767 8.8326 118.5909 59.6619 36.5903 174.1155 45 R 5.1638 9.4104 121.1841 54.8674 33.4056 173.8094 46 N 5.5562 9.2652 122.9441 51.5304 41.7041 175.7169 47 S 4.5138 9.2118 117.0685 61.3423 62.8715 175.1371 48 M 4.2887 8.3301 119.8719 55.2282 31.6399 177.1089 49 N 4.4123 8.3976 116.7734 53.6028 39.2188 174.5633 50 K 4.3686 7.4768 116.3453 57.4453 32.9372 175.7852 51 T 5.1267 7.8137 116.2429 62.4095 72.8852 173.0475 52 G 4.0650 8.3879 109.4199 46.9158 0.0000 172.0661 53 F 5.3396 8.4067 118.7884 56.6252 40.6231 175.8328 54 V 5.1168 9.3589 116.5541 58.8188 36.0565 173.5225 55 P 4.2140 0.0000 0.0000 62.0628 32.2712 175.4582 56 S 4.2808 7.7090 113.3331 58.9200 63.5903 174.8718 57 N 4.3561 7.6894 119.6869 55.2122 40.0504 175.4377 58 Y 4.9778 7.2879 114.1371 57.4770 39.3633 175.7026 59 V 5.2248 7.3797 110.9143 60.8229 36.5321 173.4838 60 E 4.8142 8.3961 119.6509 55.0565 32.7665 174.6274 61 R 4.4992 9.0978 124.0000 56.7968 30.3560 176.3684 62 K 4.6366 8.6618 122.0472 55.6314 34.6932 176.1422 63 N 4.3687 8.9184 119.2106 54.9367 36.6551 174.9512 64 S 4.3655 8.0470 110.3617 57.8876 64.0828 172.2896 65 A 4.9991 7.8826 122.8597 50.5975 21.3072 175.8656 66 R 3.9012 8.6459 112.0381 57.0722 30.8790 177.3905 67 A 3.9280 8.7644 124.5682 55.4866 18.6618 178.7881 68 A 3.9930 8.1292 116.6891 55.2144 18.5090 177.4299 69 A 4.3103 7.2722 118.1853 51.5479 18.8966 177.4331 70 N 4.7156 8.3857 121.1451 51.9377 37.1670 173.2418 71 S 3.5332 8.2253 112.4292 59.2145 60.3440 171.9329 72 S 4.3600 7.8679 120.1085 58.8416 63.5747 176.5012 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 G 8.35 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 0.00 0.00 0.00 2 S 8.61 4.35 0.00 3.90 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 3 T 8.85 3.98 4.22 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 0.00 0.00 0.00 1.19 0.00 0.00 4 M 8.60 3.23 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 5 A 8.20 4.26 1.23 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 0.00 0.00 6 E 7.70 4.59 0.00 1.87 1.80 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 2.23 2.23 0.00 7 E 8.18 4.78 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 2.19 2.28 0.00 8 V 7.81 4.60 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 0.92 0.00 0.00 0.87 0.00 0.00 9 V 8.57 5.05 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 0.78 0.00 0.00 10 V 9.07 5.09 2.35 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 0.96 0.00 0.00 1.09 0.00 0.00 11 V 8.66 4.72 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 0.62 0.00 0.00 0.89 0.00 0.00 12 A 8.82 5.45 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.85 3.95 0.00 1.26 1.54 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.51 7.81 14 F 8.14 5.18 0.00 3.11 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 D 8.87 5.13 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 16 Y 8.19 4.56 0.00 2.04 2.46 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 17 V 7.14 3.90 1.78 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 0.77 0.00 0.00 0.77 0.00 0.00 18 A 8.36 3.99 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 19 Q 9.28 3.77 0.00 2.34 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.84 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 20 Q 9.48 4.35 0.00 2.19 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.48 0.00 0.00 0.00 0.00 0.00 2.34 2.25 0.00 21 E 8.59 4.08 0.00 2.08 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 0.00 2.27 2.30 0.00 22 Q 8.01 4.12 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 7.11 0.00 0.00 0.00 0.00 0.00 2.56 2.46 0.00 23 E 7.79 4.76 0.00 2.25 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 2.64 2.01 0.00 24 L 8.52 4.95 0.00 1.80 1.66 1.14 1.29 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 25 D 8.85 4.77 0.00 2.72 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 26 I 8.03 4.84 1.97 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 1.48 1.34 1.18 0.00 0.00 27 K 8.28 4.62 0.00 1.87 1.63 0.00 1.62 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.50 7.81 28 K 8.63 4.06 0.00 1.81 1.73 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.67 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.40 7.81 29 N 8.97 4.29 0.00 2.84 2.92 0.00 0.00 6.97 7.35 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 30 E 7.87 4.55 0.00 2.15 1.73 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 2.13 2.23 0.00 31 R 8.45 4.28 0.00 1.34 1.53 0.00 3.28 0.00 0.00 3.14 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.47 0.00 32 L 8.81 4.46 0.00 1.59 1.58 1.06 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 33 W 8.68 4.80 0.00 3.40 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 34 L 8.75 4.37 0.00 1.64 1.65 0.85 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 35 L 9.16 4.47 0.00 1.44 1.63 0.89 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 36 D 7.86 4.84 0.00 2.65 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.30 4.80 0.00 1.58 1.55 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 38 S 8.15 4.56 0.00 3.88 3.97 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 39 K 8.13 4.39 0.00 1.84 1.60 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.47 1.39 7.81 40 S 8.66 4.28 0.00 4.03 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 41 W 8.10 4.64 0.00 2.78 3.44 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 0.00 0.00 0.00 0.00 42 W 9.33 5.04 0.00 3.50 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 43 R 9.57 4.46 0.00 0.67 1.72 0.00 2.62 0.00 0.00 2.98 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.10 0.00 44 V 8.83 5.08 2.25 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 0.83 0.00 0.00 1.05 0.00 0.00 45 R 9.41 5.16 0.00 1.93 2.03 0.00 2.99 0.00 0.00 3.02 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.55 0.00 46 N 9.27 5.56 0.00 2.85 2.75 0.00 0.00 7.26 7.93 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 47 S 9.21 4.51 0.00 4.22 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 0.00 48 M 8.33 4.29 0.00 2.10 2.17 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 2.72 2.51 0.00 49 N 8.40 4.41 0.00 2.81 2.96 0.00 0.00 7.14 7.55 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 50 K 7.48 4.37 0.00 1.92 1.74 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.48 1.55 7.81 51 T 7.81 5.13 4.21 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 1.20 0.00 0.00 52 G 8.39 4.07 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 0.00 0.00 0.00 53 F 8.41 5.34 0.00 3.04 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 54 V 9.36 5.12 2.17 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 1.17 0.00 0.00 1.18 0.00 0.00 55 P 0.00 4.21 0.00 1.58 1.20 0.00 3.45 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.52 0.00 56 S 7.71 4.28 0.00 3.11 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 57 N 7.69 4.36 0.00 1.83 1.89 0.00 0.00 6.61 7.16 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 58 Y 7.29 4.98 0.00 2.89 3.02 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 59 V 7.38 5.22 2.17 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 0.99 0.00 0.00 1.02 0.00 0.00 60 E 8.40 4.81 0.00 2.00 1.75 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 2.27 2.25 0.00 61 R 9.10 4.50 0.00 1.93 2.14 0.00 3.19 0.00 0.00 3.33 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.75 0.00 62 K 8.66 4.64 0.00 1.85 1.80 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.32 7.81 63 N 8.92 4.37 0.00 2.89 2.98 0.00 0.00 6.87 7.65 0.00 0.00 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 S 8.05 4.37 0.00 4.02 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 A 7.88 5.00 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 66 R 8.65 3.90 0.00 1.88 1.90 0.00 3.14 0.00 0.00 3.34 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 67 A 8.76 3.93 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 68 A 8.13 3.99 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 69 A 7.27 4.31 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 70 N 8.39 4.72 0.00 2.80 2.81 0.00 0.00 6.46 7.64 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 71 S 8.23 3.53 0.00 3.93 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 72 S 7.87 4.36 0.00 3.93 3.67 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