NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 G 3.9057 8.3393 109.7398 44.3034 0.0000 174.3750 18 S 4.5296 7.5423 115.6656 54.7505 65.3049 171.4107 19 H 4.8710 8.6149 115.9515 54.3607 31.7775 174.5281 20 M 4.2390 8.3660 119.9969 55.0535 32.4215 176.7644 21 S 4.3863 8.4671 118.2457 58.9412 63.4862 175.4133 22 T 4.3571 8.7107 116.5435 60.8037 71.0051 175.7784 23 I 3.9089 8.3531 122.1443 64.8184 37.1410 178.1093 24 E 3.9886 8.2321 119.2601 59.5381 29.5215 178.5772 25 E 4.0674 8.1719 118.0633 59.4581 29.4782 179.6327 26 R 3.9778 8.4241 118.4102 59.1151 30.1393 179.2253 27 V 3.8253 8.2039 118.1151 66.1965 31.5153 178.3494 28 K 4.1333 8.3103 118.1957 59.0027 31.8642 179.3137 29 K 3.9343 8.2719 120.1959 59.5149 32.0435 178.9342 30 I 3.7210 7.6457 119.5132 64.4761 37.0794 178.3453 31 I 3.8596 7.9223 120.7576 64.4454 37.0145 178.6694 32 G 3.6691 8.3832 106.5795 48.0343 0.0000 175.6214 33 E 4.0534 8.1047 120.0371 59.0396 29.5045 179.2467 34 Q 4.1716 8.2785 117.5798 58.2709 28.6843 177.7550 35 L 4.6589 8.0916 117.4205 53.4377 41.9696 177.2264 36 G 3.8836 7.8115 106.2078 46.6070 0.0000 174.2374 37 V 4.4361 6.8213 108.4635 58.5462 34.2363 176.1367 38 K 4.1310 8.0504 121.1432 56.3797 32.2403 178.4535 39 Q 4.1231 8.7559 123.7803 57.9933 29.0635 176.3133 40 E 4.5410 7.9279 114.5242 57.2181 30.9530 176.2939 41 E 4.1201 8.1441 117.1901 56.8227 29.8417 176.8952 42 V 3.9364 7.5104 119.5769 61.7407 31.0733 175.1695 43 T 4.3943 7.9762 117.6660 60.4272 70.2324 175.9649 44 N 4.3228 8.6673 120.4923 55.9706 38.7358 176.2870 45 N 4.5931 7.9070 112.5167 52.3954 38.3585 174.9979 46 A 4.0792 7.5131 123.9664 52.3157 19.1485 176.7133 47 S 4.6690 9.2714 118.4901 57.1829 63.6436 174.9419 48 F 4.2094 8.6852 127.0174 60.9417 38.7944 177.9758 49 V 3.7892 7.9776 119.6040 66.1616 31.7430 177.7477 50 E 4.0212 8.1173 117.4945 59.7336 29.7747 178.3076 51 D 4.4681 8.0950 116.8221 57.2232 41.1159 177.8378 52 L 4.2487 7.8462 116.5230 54.7359 42.1542 176.9195 53 G 3.7175 7.7590 105.7066 46.3537 0.0000 173.5955 54 A 4.3530 8.1485 123.4436 51.3130 19.3696 179.1427 55 D 4.7948 8.7370 124.6696 52.3584 42.7533 177.0308 56 S 4.3557 8.4929 113.1470 60.1095 63.3167 174.6257 57 L 4.3595 7.9238 123.7616 57.0435 42.7210 177.2326 58 D 4.3991 9.2984 120.2401 57.9535 40.9685 179.3495 59 T 3.7242 7.7644 109.4688 64.5523 68.7440 176.8470 60 V 3.5084 7.6164 120.5784 65.9525 31.7292 177.8239 61 E 4.0220 8.4643 118.4964 59.0621 29.1948 179.4054 62 L 3.9260 8.1350 119.7168 57.6467 41.6596 179.5791 63 V 3.5005 7.5170 117.7866 66.2052 31.4493 177.7789 64 M 3.9986 7.9865 118.1667 58.5971 31.7626 178.7291 65 A 4.0082 8.0519 120.6494 55.0959 18.5131 179.7364 66 L 4.1728 8.1829 117.6349 57.9171 41.7587 179.4078 67 E 4.0770 8.7356 119.1005 59.3054 29.2391 179.1146 68 E 3.8822 8.3791 119.2788 59.4050 29.6110 178.4663 69 E 3.7870 8.2454 118.1367 58.3649 29.6415 177.7874 70 F 4.6862 7.8799 114.5070 55.6511 40.6417 175.0932 71 D 4.3828 7.7636 117.1952 55.3467 39.6876 171.8825 72 T 4.7396 8.1422 111.7063 60.5826 71.3478 172.2900 73 E 4.7089 8.6951 123.2679 54.5169 31.6161 175.3973 74 I 4.3881 8.9084 125.4438 58.5643 39.3030 174.3089 75 P 4.4445 0.0000 0.0000 62.4312 33.2571 176.9524 76 D 4.3711 8.7138 120.5535 57.9086 40.5305 179.2980 77 E 4.0173 8.0562 117.5710 59.1329 29.6667 178.4947 78 E 4.1801 8.0750 117.8222 58.6475 29.6859 178.5741 79 A 3.8378 7.8755 121.0333 55.0402 18.1345 179.4780 80 E 3.8990 7.9091 116.4650 59.4778 29.5529 179.3897 81 K 4.3286 7.5519 117.6512 57.6980 32.1902 177.3051 82 I 4.0993 7.0792 120.7900 61.1010 37.1162 175.4382 83 T 4.6752 8.6890 115.4232 61.1789 71.0574 173.7468 84 T 4.6614 7.4824 111.3208 58.8702 73.0338 174.7389 85 V 3.4804 7.5044 121.0236 66.2189 31.4498 178.0029 86 Q 3.9196 8.3213 119.2330 59.2348 28.9172 178.1561 87 A 4.1000 7.7660 120.7036 55.0767 18.3659 179.5340 88 A 4.0238 8.0409 118.8406 55.4344 18.4506 179.9122 89 I 3.6243 7.9833 118.4206 64.6581 36.9365 178.4594 90 D 4.3206 8.4942 119.0508 57.3734 40.6975 177.9205 91 Y 4.0672 7.9286 119.0970 60.6728 38.9144 177.7614 92 I 3.7018 7.5346 119.4041 64.3592 37.2789 176.4101 93 N 4.5619 8.0360 120.3798 53.5455 38.5043 174.7908 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 17 G 8.34 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 0.00 0.00 0.00 0.00 18 S 7.54 4.53 0.00 4.04 3.87 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.61 4.87 0.00 3.25 3.27 0.00 5.53 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 M 8.37 4.24 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.52 0.00 21 S 8.47 4.39 0.00 3.86 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 22 T 8.71 4.36 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 1.25 0.00 0.00 23 I 8.35 3.91 1.90 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.22 0.81 0.00 0.00 24 E 8.23 3.99 0.00 2.06 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 2.41 2.44 0.00 25 E 8.17 4.07 0.00 2.37 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 0.00 2.38 2.41 0.00 26 R 8.42 3.98 0.00 2.26 1.94 0.00 3.15 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00 27 V 8.20 3.83 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 1.16 0.00 0.00 1.08 0.00 0.00 28 K 8.31 4.13 0.00 1.91 1.88 0.00 1.76 0.00 0.00 1.60 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.61 7.81 29 K 8.27 3.93 0.00 1.97 1.99 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.49 7.81 30 I 7.65 3.72 2.10 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 1.52 0.62 0.94 0.00 0.00 31 I 7.92 3.86 1.98 0.00 0.00 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 1.73 1.00 1.06 0.00 0.00 32 G 8.38 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 0.00 0.00 0.00 33 E 8.10 4.05 0.00 2.11 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 0.00 2.35 2.49 0.00 34 Q 8.28 4.17 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.85 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 35 L 8.09 4.66 0.00 1.72 1.69 1.05 0.92 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 36 G 7.81 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 V 6.82 4.44 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 0.80 0.00 0.00 0.96 0.00 0.00 38 K 8.05 4.13 0.00 1.87 1.90 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.53 7.81 39 Q 8.76 4.12 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.85 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 40 E 7.93 4.54 0.00 1.96 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 2.23 2.37 0.00 41 E 8.14 4.12 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 2.32 2.24 0.00 42 V 7.51 3.94 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 0.84 0.00 0.00 1.02 0.00 0.00 43 T 7.98 4.39 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 1.19 0.00 0.00 44 N 8.67 4.32 0.00 2.83 3.00 0.00 0.00 6.62 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 N 7.91 4.59 0.00 2.78 2.88 0.00 0.00 5.99 7.26 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 46 A 7.51 4.08 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 47 S 9.27 4.67 0.00 3.76 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 48 F 8.69 4.21 0.00 3.16 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 49 V 7.98 3.79 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 1.02 0.00 0.00 0.99 0.00 0.00 50 E 8.12 4.02 0.00 1.98 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 2.31 2.40 0.00 51 D 8.09 4.47 0.00 2.79 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 52 L 7.85 4.25 0.00 1.95 1.79 0.90 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 53 G 7.76 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.15 4.35 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 55 D 8.74 4.79 0.00 2.98 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 56 S 8.49 4.36 0.00 4.04 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 57 L 7.92 4.36 0.00 1.75 1.83 0.91 1.25 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 58 D 9.30 4.40 0.00 2.91 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.76 3.72 4.12 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 1.23 0.00 0.00 60 V 7.62 3.51 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 1.03 0.00 0.00 0.98 0.00 0.00 61 E 8.46 4.02 0.00 2.21 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 2.31 2.48 0.00 62 L 8.14 3.93 0.00 1.71 1.47 0.75 0.84 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 63 V 7.52 3.50 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 0.95 0.00 0.00 0.82 0.00 0.00 64 M 7.99 4.00 0.00 2.11 2.23 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.55 0.00 65 A 8.05 4.01 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 66 L 8.18 4.17 0.00 1.90 1.91 0.93 1.05 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 67 E 8.74 4.08 0.00 2.19 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 2.44 2.53 0.00 68 E 8.38 3.88 0.00 2.10 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 69 E 8.25 3.79 0.00 1.81 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 0.00 1.67 1.47 0.00 70 F 7.88 4.69 0.00 3.21 3.05 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 71 D 7.76 4.38 0.00 2.70 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 72 T 8.14 4.74 4.34 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 0.00 0.00 0.00 1.37 0.00 0.00 73 E 8.70 4.71 0.00 1.99 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 0.00 2.21 2.28 0.00 74 I 8.91 4.39 1.77 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.48 0.85 0.00 0.00 75 P 0.00 4.44 0.00 2.21 1.97 0.00 3.73 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.21 0.00 76 D 8.71 4.37 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 77 E 8.06 4.02 0.00 1.94 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 2.31 2.39 0.00 78 E 8.08 4.18 0.00 1.91 1.95 0.00 0.00 0.00 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 2.41 0.00 79 A 7.88 3.84 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 80 E 7.91 3.90 0.00 2.14 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 2.33 2.49 0.00 81 K 7.55 4.33 0.00 1.84 1.88 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.47 7.81 82 I 7.08 4.10 1.94 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.55 1.08 0.00 0.00 83 T 8.69 4.68 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 1.25 0.00 0.00 84 T 7.48 4.66 4.09 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 0.00 0.00 1.18 0.00 0.00 85 V 7.50 3.48 2.11 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 1.00 0.00 0.00 0.66 0.00 0.00 86 Q 8.32 3.92 0.00 2.32 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.64 0.00 87 A 7.77 4.10 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 88 A 8.04 4.02 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 0.00 0.00 89 I 7.98 3.62 2.01 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 1.54 0.78 0.90 0.00 0.00 90 D 8.49 4.32 0.00 2.78 2.75 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 0.00 91 Y 7.93 4.07 0.00 3.05 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 92 I 7.53 3.70 1.66 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.31 0.08 0.00 0.00 93 N 8.04 4.56 0.00 2.72 2.69 0.00 0.00 6.95 8.13 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