NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4636 8.1633 120.6051 55.4689 34.1552 173.8875 2 E 5.0188 8.4510 122.0244 54.3403 33.8214 173.9548 3 C 5.1597 9.4681 119.2974 55.0613 44.6776 173.0808 4 Y 5.0855 8.7790 118.4149 58.3055 38.9077 175.0638 5 R 4.8756 9.0693 117.3067 54.4367 33.7352 172.8350 6 C 5.2670 8.8798 116.4798 55.6139 44.1401 173.9823 7 G 4.0345 8.8663 110.2509 44.2890 0.0000 173.1446 8 V 3.6011 8.5437 117.8581 64.5093 31.1444 177.0840 9 S 4.3408 8.0264 112.4948 57.9397 63.8088 172.4291 10 G 3.8130 7.1779 107.3752 44.7919 0.0000 174.1802 11 C 5.3747 8.9151 118.1096 56.3572 40.6394 174.1971 12 H 4.4627 7.9259 113.1438 55.2760 28.8703 174.9403 13 L 4.2867 7.5276 120.9533 55.0600 42.8042 175.7625 14 K 4.9627 8.5728 121.0166 54.7062 34.6831 175.4963 15 I 4.6205 8.5328 123.8539 59.3508 41.5029 174.3623 16 T 4.5027 8.5652 125.7913 63.7688 69.0701 174.7168 17 C 5.0258 8.8571 124.4098 55.5554 40.1306 174.1307 18 S 4.3681 9.1845 117.2282 57.6766 63.4630 175.1212 19 A 3.9519 8.6628 126.4346 55.9995 17.8073 179.6656 20 E 4.1641 7.8119 111.0328 58.0126 30.0919 179.3212 21 E 4.7038 7.7111 117.6369 56.3304 27.8884 176.1641 22 T 4.2030 7.9325 110.3174 61.3711 70.0425 174.8401 23 F 5.1751 8.0238 121.7286 56.2313 42.2543 173.7243 24 C 5.3971 9.3179 120.0110 55.6386 37.1390 172.5079 25 Y 5.3554 8.2637 120.9427 55.3372 41.2183 175.0473 26 K 4.6493 9.0362 121.6891 54.8819 35.0074 173.8538 27 W 5.4281 9.6172 135.0000 55.5372 32.9228 174.3425 28 L 5.4264 9.3830 127.3554 52.9759 44.8324 175.0623 29 N 5.0715 9.2449 123.3048 52.7766 39.4409 175.7691 30 K 4.1225 8.9854 126.8855 58.6718 32.1927 178.6113 31 I 4.1096 8.3236 121.0563 63.0547 37.6673 176.9734 32 S 4.4647 8.2216 110.9938 57.5616 63.7737 174.3432 33 N 4.3504 8.3849 117.1659 53.5739 36.7265 173.7614 34 E 4.1320 8.0319 120.6652 56.7392 30.8357 175.6882 35 R 5.1561 8.6776 125.0743 54.2683 32.5220 175.1710 36 W 5.1790 9.8281 134.1414 55.8225 32.9838 173.8686 37 L 4.9292 8.3833 126.4095 51.4446 45.5223 177.1445 38 G 3.7640 6.0307 106.9366 46.0089 0.0000 172.2120 39 C 5.0961 8.3959 115.9828 55.9934 38.9263 172.9945 40 A 4.8652 8.8296 124.2972 50.8672 22.0695 177.6838 41 K 4.4025 9.0607 121.4613 57.9724 32.6940 177.4914 42 T 4.7255 7.5543 106.6748 59.9326 71.3608 173.8438 43 C 4.4445 7.8639 121.9791 55.8659 46.3670 172.9903 44 T 4.5439 8.1052 123.6455 61.3536 70.4622 173.8055 45 E 4.2232 8.4686 125.8689 56.4889 30.4420 176.4084 46 I 4.3888 8.0671 123.1024 59.7972 41.5770 174.5085 47 D 4.8526 8.4701 125.0568 53.1102 41.5916 173.6694 48 T 4.7830 8.6818 114.9007 58.3831 71.8960 175.7130 49 W 4.4741 9.0285 117.6588 58.9097 28.1349 176.3253 50 N 4.2606 6.6657 114.3942 51.6540 38.2918 173.8896 51 V 4.6686 7.2318 119.4317 61.0595 35.1890 173.2717 52 Y 4.9704 8.7193 128.4247 55.7301 41.6401 173.7132 53 N 5.2200 8.3627 124.5798 51.5997 42.8288 172.6906 54 K 4.9198 8.7910 126.3813 54.7223 35.5838 173.8330 55 C 5.7815 9.4151 123.8417 55.4981 41.0765 170.8481 56 C 5.1938 9.2901 116.2146 54.1788 45.3797 174.0243 57 T 4.9483 8.6816 107.4402 60.3019 69.0179 173.4044 58 T 4.6257 7.5440 110.6054 59.6546 71.9626 172.3329 59 N 4.3007 8.7446 120.2433 55.4662 39.0283 174.3663 60 L 3.3374 8.4958 126.2004 55.7588 39.8581 173.4330 61 C 4.4792 7.9123 114.0171 57.3133 42.8092 173.9322 62 N 4.6684 7.8945 120.5651 51.7624 35.9337 175.0193 63 T 4.0213 7.6193 112.2538 62.5764 69.1299 175.2962 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 4.46 0.00 2.07 1.94 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.52 0.00 2 E 8.45 5.02 0.00 1.84 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 2.21 2.34 0.00 3 C 9.47 5.16 0.00 2.69 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 4 Y 8.78 5.09 0.00 3.10 2.98 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 5 R 9.07 4.88 0.00 1.91 1.94 0.00 3.04 0.00 0.00 3.28 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.47 0.00 6 C 8.88 5.27 0.00 2.94 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 7 G 8.87 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.54 3.60 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 0.87 0.00 0.00 0.94 0.00 0.00 9 S 8.03 4.34 0.00 4.07 4.05 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 0.00 0.00 0.00 10 G 7.18 3.81 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 0.00 0.00 0.00 11 C 8.92 5.37 0.00 2.90 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 12 H 7.93 4.46 0.00 3.27 3.32 0.00 5.53 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.53 4.29 0.00 1.79 1.63 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.57 4.96 0.00 1.59 1.60 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.17 1.46 7.81 15 I 8.53 4.62 1.86 0.00 0.00 0.88 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 1.48 0.92 0.00 0.00 16 T 8.57 4.50 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 17 C 8.86 5.03 0.00 2.86 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 18 S 9.18 4.37 0.00 3.99 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 19 A 8.66 3.95 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 20 E 7.81 4.16 0.00 1.73 1.97 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 2.24 2.15 0.00 21 E 7.71 4.70 0.00 2.13 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 2.37 2.27 0.00 22 T 7.93 4.20 3.91 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 0.00 0.00 1.11 0.00 0.00 23 F 8.02 5.18 0.00 3.16 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 24 C 9.32 5.40 0.00 2.85 2.90 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 25 Y 8.26 5.36 0.00 3.17 2.94 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 26 K 9.04 4.65 0.00 1.88 1.80 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.50 1.47 7.81 27 W 9.62 5.43 0.00 3.73 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 28 L 9.38 5.43 0.00 1.69 1.60 0.91 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 29 N 9.24 5.07 0.00 2.89 2.76 0.00 0.00 6.87 7.42 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 30 K 8.99 4.12 0.00 1.55 1.83 0.00 1.96 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.35 7.81 31 I 8.32 4.11 1.97 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.83 1.00 0.00 0.00 32 S 8.22 4.46 0.00 3.98 3.99 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 0.00 0.00 0.00 33 N 8.38 4.35 0.00 2.94 3.01 0.00 0.00 6.90 7.05 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 34 E 8.03 4.13 0.00 2.11 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 2.41 2.35 0.00 35 R 8.68 5.16 0.00 1.80 1.93 0.00 3.23 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.81 0.00 36 W 9.83 5.18 0.00 3.30 3.19 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 37 L 8.38 4.93 0.00 1.60 1.58 1.01 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 38 G 6.03 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 0.00 0.00 0.00 39 C 8.40 5.10 0.00 3.06 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 40 A 8.83 4.87 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.06 4.40 0.00 1.79 1.90 0.00 1.57 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.60 7.81 42 T 7.55 4.73 4.19 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 1.24 0.00 0.00 43 C 7.86 4.44 0.00 2.36 1.59 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.11 4.54 4.17 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 1.13 0.00 0.00 45 E 8.47 4.22 0.00 1.73 1.69 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 2.15 2.22 0.00 46 I 8.07 4.39 1.28 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.72 0.63 0.00 0.00 47 D 8.47 4.85 0.00 2.57 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 8.68 4.78 4.29 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 1.17 0.00 0.00 49 W 9.03 4.47 0.00 3.59 3.27 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 50 N 6.67 4.26 0.00 2.08 1.42 0.00 0.00 6.10 7.14 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 51 V 7.23 4.67 1.68 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 -0.18 0.00 0.00 0.83 0.00 0.00 52 Y 8.72 4.97 0.00 3.01 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 53 N 8.36 5.22 0.00 2.06 2.10 0.00 0.00 6.24 6.14 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 54 K 8.79 4.92 0.00 1.78 1.66 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.54 7.81 55 C 9.42 5.78 0.00 2.79 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 56 C 9.29 5.19 0.00 3.01 3.18 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 57 T 8.68 4.95 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 1.02 0.00 0.00 58 T 7.54 4.63 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 59 N 8.74 4.30 0.00 2.65 2.75 0.00 0.00 7.00 7.76 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 60 L 8.50 3.34 0.00 1.64 1.37 0.74 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 61 C 7.91 4.48 0.00 3.06 3.27 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 62 N 7.89 4.67 0.00 2.88 2.92 0.00 0.00 6.21 7.81 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 63 T 7.62 4.02 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 1.38 0.00 0.00