NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.3104 8.3449 121.7192 55.8703 29.6410 175.2798 4 R 4.3512 8.6019 115.9773 55.5928 31.0778 174.2691 5 I 4.8662 8.7917 123.5299 59.4308 40.9032 175.2362 6 T 4.3424 8.6253 115.9553 61.5626 69.7310 174.8987 7 L 3.9071 8.5663 125.5165 58.3667 42.0652 179.4741 8 K 3.9175 7.9873 118.7568 59.8487 32.2411 178.3157 9 D 4.3996 8.2384 119.0579 57.3578 40.6219 178.1708 10 Y 4.0736 8.5652 120.2476 60.8099 38.8918 178.0637 11 A 4.5155 8.5013 123.3329 54.9835 18.2313 179.5145 12 M 3.9955 7.9940 116.4988 58.4094 32.0700 178.7395 13 R 3.7098 7.7347 117.8239 58.7787 30.3866 177.6964 14 F 4.6421 8.1760 114.6190 56.0331 40.5141 177.1348 15 G 4.1417 7.7493 104.1949 45.6644 0.0000 174.6494 16 Q 4.0786 8.6408 118.7139 59.0220 28.6260 179.3329 17 T 3.8772 7.8850 116.2283 66.6539 68.5986 176.4396 18 K 3.9930 8.0942 120.9375 59.7316 32.3036 178.7301 19 T 4.0552 8.2344 115.8371 66.6055 68.4701 176.2990 20 A 4.0075 8.2441 122.6886 55.3741 18.3569 179.9220 21 K 4.0039 8.3444 117.0754 59.7279 31.8814 179.4571 22 D 4.4061 8.4717 118.7656 56.6081 40.8137 177.7748 23 L 4.4067 7.7445 116.9230 53.5874 42.1018 176.8995 24 G 3.8576 7.6563 106.6825 46.4614 0.0000 173.5820 25 V 4.3632 7.5622 111.5256 58.8685 35.6111 175.0270 26 Y 4.7234 7.8643 117.6647 57.1186 38.7332 175.1502 27 P 4.3359 0.0000 0.0000 66.0952 31.2567 179.0702 28 S 4.1453 8.2286 112.3723 61.6371 62.7457 176.7489 29 S 4.1222 8.1804 118.7264 61.3110 62.5284 176.5748 30 I 3.6651 7.7205 121.9802 64.4869 36.9373 177.9747 31 N 4.3407 8.3762 117.3483 56.6063 38.3827 177.5290 32 Q 4.0120 8.4439 119.4186 58.9677 28.6162 178.8167 33 A 3.9976 8.0573 121.8035 54.9053 18.4655 179.8492 34 I 3.6548 7.9394 118.5335 64.8891 37.0242 178.0863 35 H 4.1315 8.1915 117.4750 59.2457 29.7568 176.8967 36 A 4.0948 8.1017 121.5796 52.8073 18.1485 177.9606 37 G 3.7873 7.6731 104.5724 46.3634 0.0000 174.1573 38 R 3.9528 7.3982 117.9738 56.1130 30.9662 177.7098 39 K 4.1086 8.5873 122.3919 55.1380 32.3198 174.3706 40 I 4.7619 7.3407 124.5353 59.0388 40.6323 174.2849 41 F 5.4063 9.1878 125.0690 55.6235 42.8140 173.8238 42 L 5.1943 9.4868 123.2415 53.2762 44.5589 175.3950 43 T 4.8804 9.0492 120.8016 61.8527 70.8022 173.7346 44 I 4.3894 8.4863 128.1619 60.7555 37.7792 175.7948 45 N 4.6750 9.1843 125.4677 52.0104 39.6218 176.3376 46 A 3.9911 8.6384 123.8860 55.5282 18.4621 178.5137 47 D 4.5424 8.0059 111.9915 53.7361 39.6377 177.1790 48 G 3.9882 8.1675 109.8324 45.3120 0.0000 174.4405 49 S 4.3929 8.3180 114.8356 58.4113 64.4388 173.4816 50 V 4.7626 8.1895 120.4548 61.3377 34.2473 173.7783 51 Y 4.5687 9.1969 129.5124 56.0309 40.3372 173.7957 52 A 5.2532 8.0966 128.9235 50.1811 21.1238 175.3520 53 E 4.6459 9.0797 119.0306 54.5186 33.7318 173.8352 54 E 5.1409 8.7776 121.0661 54.4604 32.3118 174.8953 55 V 4.6621 8.7665 126.7808 61.0017 33.2496 174.9917 56 K 4.7294 8.5437 125.4508 54.3514 35.5769 174.1525 57 P 4.4127 0.0000 0.0000 62.9034 31.8636 175.5099 58 F 4.7871 8.5091 122.7927 55.5613 41.4565 173.5335 59 P 3.6426 0.0000 0.0000 61.5523 32.2496 176.3678 60 S 4.2622 8.2448 113.6511 58.9722 62.7145 174.5304 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 3 Q 8.34 4.31 0.00 2.04 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.94 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 4 R 8.60 4.35 0.00 1.83 2.00 0.00 3.08 0.00 0.00 3.28 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 5 I 8.79 4.87 2.14 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.17 1.13 0.00 0.00 6 T 8.63 4.34 4.18 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 1.36 0.00 0.00 7 L 8.57 3.91 0.00 1.68 1.63 0.87 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 8 K 7.99 3.92 0.00 1.86 1.80 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.55 7.81 9 D 8.24 4.40 0.00 2.95 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 10 Y 8.57 4.07 0.00 3.22 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 11 A 8.50 4.52 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 12 M 7.99 4.00 0.00 1.98 2.25 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 2.64 2.86 0.00 13 R 7.73 3.71 0.00 1.56 1.44 0.00 2.93 0.00 0.00 2.74 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.03 0.00 14 F 8.18 4.64 0.00 2.77 2.88 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 15 G 7.75 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 8.64 4.08 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.85 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 17 T 7.88 3.88 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 1.24 0.00 0.00 18 K 8.09 3.99 0.00 1.90 2.09 0.00 1.76 0.00 0.00 1.90 0.00 0.00 2.76 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.69 1.61 7.81 19 T 8.23 4.06 4.50 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 1.29 0.00 0.00 20 A 8.24 4.01 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.34 4.00 0.00 1.84 1.89 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.68 7.81 22 D 8.47 4.41 0.00 2.80 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 23 L 7.74 4.41 0.00 1.69 1.61 0.68 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.66 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 25 V 7.56 4.36 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 0.69 0.00 0.00 0.96 0.00 0.00 26 Y 7.86 4.72 0.00 3.01 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 27 P 0.00 4.34 0.00 2.18 2.15 0.00 3.66 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 2.14 2.21 0.00 28 S 8.23 4.15 0.00 4.09 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 0.00 29 S 8.18 4.12 0.00 4.04 3.93 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 0.00 0.00 0.00 0.00 30 I 7.72 3.67 2.05 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.91 0.95 0.00 0.00 31 N 8.38 4.34 0.00 2.91 2.88 0.00 0.00 7.11 8.73 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 32 Q 8.44 4.01 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 33 A 8.06 4.00 1.36 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 0.00 0.00 34 I 7.94 3.65 2.01 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.20 0.92 0.00 0.00 35 H 8.19 4.13 0.00 3.16 3.48 0.00 5.76 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.10 4.09 1.36 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 0.00 0.00 37 G 7.67 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.40 3.95 0.00 1.62 1.94 0.00 3.13 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 39 K 8.59 4.11 0.00 1.98 1.85 0.00 1.70 0.00 0.00 1.97 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.47 7.81 40 I 7.34 4.76 1.68 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.92 0.82 0.00 0.00 41 F 9.19 5.41 0.00 3.05 2.93 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 0.00 0.00 0.00 0.00 42 L 9.49 5.19 0.00 1.69 1.40 0.80 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 43 T 9.05 4.88 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 1.28 0.00 0.00 44 I 8.49 4.39 1.95 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 1.51 0.66 0.93 0.00 0.00 45 N 9.18 4.67 0.00 2.99 2.73 0.00 0.00 6.46 7.54 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 46 A 8.64 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 47 D 8.01 4.54 0.00 2.78 2.78 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 G 8.17 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 0.00 0.00 0.00 49 S 8.32 4.39 0.00 3.93 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 50 V 8.19 4.76 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 0.53 0.00 0.00 0.92 0.00 0.00 51 Y 9.20 4.57 0.00 3.01 2.80 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 0.00 0.00 0.00 52 A 8.10 5.25 1.03 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 53 E 9.08 4.65 0.00 2.02 1.92 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 0.00 2.37 2.41 0.00 54 E 8.78 5.14 0.00 1.93 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 2.39 0.00 55 V 8.77 4.66 2.33 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 0.93 0.00 0.00 1.11 0.00 0.00 56 K 8.54 4.73 0.00 1.87 1.73 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.52 7.81 57 P 0.00 4.41 0.00 2.07 2.06 0.00 3.64 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 58 F 8.51 4.79 0.00 2.96 2.95 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 0.00 0.00 0.00 59 P 0.00 3.64 0.00 1.88 1.28 0.00 3.60 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.69 0.00 60 S 8.24 4.26 0.00 3.86 3.82 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 0.00 0.00 0.00