NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 V 4.0613 8.0544 120.3125 61.3917 32.8562 174.0941 4 R 4.4262 8.2045 122.4579 54.0237 32.5760 173.3444 5 K 4.9103 8.6490 126.2589 56.7588 33.6602 174.4407 6 C 4.9085 8.4020 115.6998 54.9674 44.2971 173.6136 7 L 4.4207 9.2796 118.9914 54.9592 43.7762 176.6308 8 S 4.6854 7.7595 111.2130 56.5534 66.1873 174.4803 9 D 4.3591 8.6712 119.9869 57.4022 40.5613 178.7300 10 T 4.1608 7.3087 106.9540 63.2075 69.0184 175.0245 11 D 4.5109 8.0493 121.4472 55.4676 41.2455 175.6541 12 C 4.7260 7.6693 117.2158 55.7226 43.2369 172.0387 13 T 4.6624 7.5598 109.6358 60.3182 71.4121 172.9827 14 N 4.2422 9.5306 115.1511 54.4591 35.8799 175.6905 15 G 3.9124 8.4594 103.1233 45.9772 0.0000 174.4687 16 E 4.3707 8.0089 118.7180 56.1286 30.4143 176.3691 17 K 4.6616 8.9218 121.0366 54.6907 35.6609 174.8189 18 C 4.8343 9.0496 123.7388 56.0594 44.1511 173.3540 19 V 3.8857 9.0209 128.2380 62.6802 31.3273 176.9928 20 Q 3.9786 8.8482 128.1420 58.6356 29.1498 177.7315 21 K 3.9768 8.2615 118.5503 58.7006 32.2267 176.8477 22 N 4.7758 7.8933 111.5499 51.4240 38.4239 173.8455 23 K 3.8980 8.4315 118.4709 58.0825 30.2973 174.4304 24 I 4.9805 7.1688 110.0487 59.1512 41.6208 176.0857 25 C 5.0686 8.9494 121.6400 57.2451 39.0725 173.0966 26 S 4.8800 8.9017 116.2223 56.9984 66.0741 173.8199 27 T 4.3488 8.4984 114.5400 61.3336 69.6806 175.3893 28 I 3.6568 8.4347 124.0353 64.6165 36.9854 178.7868 29 V 3.5772 7.7484 118.4755 66.2185 31.3965 177.8604 30 E 3.9941 8.2837 118.2212 59.2267 29.3670 179.3436 31 I 3.7101 8.0334 120.1453 64.5312 37.1414 178.3226 32 Q 3.9582 8.5447 119.0722 59.0171 28.4982 179.1477 33 R 3.8395 8.2545 119.7762 59.7626 30.1742 177.9835 34 C 4.4059 8.3562 116.3620 59.8147 36.2772 175.8397 35 E 3.8113 8.0472 120.7642 59.1043 29.0482 179.0718 36 K 3.5480 7.8662 117.5483 59.4161 32.2503 178.9463 37 E 4.1297 8.1607 117.7043 58.5027 29.5931 177.2644 38 H 4.7686 7.4060 110.7121 54.2458 31.5711 172.7756 39 F 3.7249 7.7070 117.5643 58.1754 37.0153 173.8095 40 T 4.8189 7.7901 113.4921 61.3739 70.6276 172.5948 41 I 4.7521 8.4413 112.9263 58.5723 40.9528 173.4222 42 P 5.2613 0.0000 0.0000 63.1074 32.2073 174.2242 43 C 4.9098 8.7394 114.7246 55.0253 44.2303 173.8714 44 K 4.2221 9.2897 119.3597 57.3749 33.4821 176.4610 45 S 4.6556 7.7726 111.2300 56.6063 66.1767 174.2397 46 N 4.3133 8.8719 117.1984 56.5050 38.3219 177.1477 47 N 4.2963 7.6373 114.9868 56.6789 39.0063 175.1466 48 D 4.6965 8.2116 115.3084 55.2983 40.9215 175.8477 49 C 5.3558 8.4291 116.9270 56.8422 39.2732 175.3325 50 Q 4.0407 8.1230 118.0090 57.5369 28.6538 178.0729 51 V 3.4341 7.2276 111.8515 63.1140 31.7254 176.0972 52 W 4.5923 7.5986 120.3445 54.9775 29.8628 176.2549 53 A 4.0221 8.8844 126.7339 55.2227 17.9904 176.9602 54 H 4.5315 8.1665 113.1329 54.3979 28.5418 174.5991 55 E 3.8208 8.6830 124.8868 56.6339 29.5698 176.3730 56 K 4.8795 8.6183 124.5043 54.5898 35.5912 174.9608 57 I 4.6846 8.5729 114.2322 59.2468 41.3575 173.6846 58 C 5.0840 9.4534 124.4324 55.6383 39.0514 172.5658 59 N 4.5691 8.6281 124.9367 52.4917 40.9437 174.2570 60 K 3.8168 9.5669 125.9558 57.5525 29.8928 176.2638 61 G 4.0250 8.4089 105.3370 45.5386 0.0000 173.8462 62 C 5.5767 7.9499 115.9839 55.0316 44.9933 173.1131 63 C 5.0743 9.2124 119.4288 56.8546 39.9459 173.3650 64 W 4.8077 9.3650 125.0192 55.1403 31.0124 176.3245 65 D 4.8512 8.3763 122.1634 53.8538 41.6050 175.9458 66 L 4.3112 8.3560 120.5620 54.4673 42.4955 177.4216 67 L 4.3045 8.5198 122.2649 54.8822 41.8587 176.3004 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 V 8.05 4.06 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 0.88 0.00 0.00 0.94 0.00 0.00 4 R 8.20 4.43 0.00 1.95 1.79 0.00 3.17 0.00 0.00 3.56 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 5 K 8.65 4.91 0.00 1.68 1.72 0.00 1.93 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.38 7.81 6 C 8.40 4.91 0.00 3.05 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 7 L 9.28 4.42 0.00 1.59 1.70 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 8 S 7.76 4.69 0.00 3.94 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 9 D 8.67 4.36 0.00 2.73 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 T 7.31 4.16 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 1.21 0.00 0.00 11 D 8.05 4.51 0.00 2.79 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 12 C 7.67 4.73 0.00 3.24 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 13 T 7.56 4.66 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 1.21 0.00 0.00 14 N 9.53 4.24 0.00 2.88 2.93 0.00 0.00 6.89 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 15 G 8.46 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 16 E 8.01 4.37 0.00 1.98 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 2.35 2.38 0.00 17 K 8.92 4.66 0.00 1.62 1.80 0.00 1.89 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.49 7.81 18 C 9.05 4.83 0.00 3.05 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.02 3.89 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.99 0.00 0.00 20 Q 8.85 3.98 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.28 0.00 21 K 8.26 3.98 0.00 1.68 1.78 0.00 1.71 0.00 0.00 1.43 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.08 1.27 7.81 22 N 7.89 4.78 0.00 2.88 2.85 0.00 0.00 6.05 7.13 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 23 K 8.43 3.90 0.00 1.93 2.08 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.33 1.48 7.81 24 I 7.17 4.98 1.89 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 1.58 0.98 0.98 0.00 0.00 25 C 8.95 5.07 0.00 2.88 3.20 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 26 S 8.90 4.88 0.00 3.88 3.65 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 0.00 0.00 0.00 0.00 27 T 8.50 4.35 4.25 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 1.22 0.00 0.00 28 I 8.43 3.66 1.87 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 1.52 0.54 0.91 0.00 0.00 29 V 7.75 3.58 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 1.17 0.00 0.00 0.93 0.00 0.00 30 E 8.28 3.99 0.00 2.05 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 2.34 2.51 0.00 31 I 8.03 3.71 2.01 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.28 0.92 0.00 0.00 32 Q 8.54 3.96 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 33 R 8.25 3.84 0.00 1.95 1.94 0.00 3.23 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 34 C 8.36 4.41 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 35 E 8.05 3.81 0.00 2.11 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 2.08 2.26 0.00 36 K 7.87 3.55 0.00 1.69 1.71 0.00 1.66 0.00 0.00 1.45 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.56 1.53 7.81 37 E 8.16 4.13 0.00 1.84 1.64 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 0.00 2.26 2.37 0.00 38 H 7.41 4.77 0.00 3.17 2.99 0.00 5.85 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 39 F 7.71 3.72 0.00 3.09 3.11 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 40 T 7.79 4.82 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 1.34 0.00 0.00 41 I 8.44 4.75 1.99 0.00 0.00 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 1.75 1.09 1.05 0.00 0.00 42 P 0.00 5.26 0.00 2.01 2.07 0.00 3.76 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 2.06 2.28 0.00 43 C 8.74 4.91 0.00 3.16 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 44 K 9.29 4.22 0.00 1.87 1.89 0.00 1.72 0.00 0.00 1.77 0.00 0.00 2.84 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.40 1.50 7.81 45 S 7.77 4.66 0.00 3.95 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 46 N 8.87 4.31 0.00 2.78 2.95 0.00 0.00 6.43 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 47 N 7.64 4.30 0.00 2.80 2.88 0.00 0.00 7.27 8.35 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 48 D 8.21 4.70 0.00 2.87 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 49 C 8.43 5.36 0.00 3.21 3.25 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 50 Q 8.12 4.04 0.00 2.28 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.92 0.00 0.00 0.00 0.00 0.00 2.52 2.38 0.00 51 V 7.23 3.43 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 -0.08 0.00 0.00 52 W 7.60 4.59 0.00 3.41 3.13 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 0.00 0.00 0.00 53 A 8.88 4.02 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 54 H 8.17 4.53 0.00 3.25 3.32 0.00 5.75 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.68 3.82 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 2.34 2.43 0.00 56 K 8.62 4.88 0.00 1.61 1.63 0.00 0.61 0.00 0.00 0.98 0.00 0.00 2.57 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.17 1.17 7.81 57 I 8.57 4.68 1.85 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 1.15 1.11 0.92 0.00 0.00 58 C 9.45 5.08 0.00 3.07 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 59 N 8.63 4.57 0.00 2.25 1.42 0.00 0.00 6.86 5.88 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 60 K 9.57 3.82 0.00 1.71 1.82 0.00 1.80 0.00 0.00 1.61 0.00 0.00 2.34 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.22 1.11 7.81 61 G 8.41 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 0.00 0.00 0.00 62 C 7.95 5.58 0.00 3.23 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 63 C 9.21 5.07 0.00 2.91 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 64 W 9.36 4.81 0.00 3.08 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 65 D 8.38 4.85 0.00 2.47 2.55 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 66 L 8.36 4.31 0.00 1.65 1.63 0.95 0.98 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 67 L 8.52 4.30 0.00 1.68 1.57 1.01 0.80 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