NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3324 8.4293 121.4725 55.8024 31.0445 175.7908 4 V 3.8613 8.1618 121.9899 64.2565 31.5445 177.3972 5 C 4.7918 8.2253 115.0023 57.5130 41.0491 175.1546 6 S 4.4949 7.8077 113.5195 58.6193 64.0451 174.5958 7 E 4.1087 7.7213 121.0525 56.4186 29.8113 176.4929 8 Q 3.8897 8.2739 119.6296 55.2063 29.4388 176.2445 9 A 3.1037 7.7215 123.7562 52.4001 17.5120 176.6685 10 E 4.5383 8.0351 121.6611 55.5582 31.1389 176.7854 11 T 4.0356 8.6385 119.2686 63.3013 67.7097 174.8230 12 G 4.2272 8.1626 105.9193 44.2837 0.0000 171.1344 13 P 4.3554 0.0000 0.0000 65.0969 31.4632 178.1536 14 C 4.6068 7.8794 114.9794 56.8727 40.8071 173.4342 15 K 4.3309 8.1452 117.3496 56.1702 32.5501 176.5666 16 A 4.2287 7.9284 122.3724 51.9643 20.2442 177.5184 17 M 4.7977 8.2738 117.3776 53.7695 32.6389 172.8512 18 I 4.5660 8.8161 124.0544 58.8261 40.1169 174.8628 19 S 4.3075 8.8020 123.1392 58.8776 63.3630 173.5906 20 R 4.9387 8.3449 123.0272 54.4346 35.2917 173.8889 21 W 5.8366 9.8069 119.1126 55.4715 33.2705 174.5910 22 Y 5.5446 9.0916 119.8525 55.3210 41.5561 173.7807 23 F 4.5125 9.5479 123.9553 57.8168 40.4020 174.2035 24 D 4.6423 7.9032 126.9651 52.6242 41.6401 177.5409 25 V 3.6199 8.4534 120.5287 64.5849 32.0732 178.0167 26 T 3.9495 7.7626 116.0086 66.2840 67.9637 174.9658 27 E 4.2687 8.2124 118.0960 55.2681 30.0227 176.4856 28 G 4.6217 7.5046 106.6064 45.7422 0.0000 173.1573 29 K 4.7520 6.6745 116.6056 55.0900 36.6016 174.4055 30 C 5.0433 8.7170 117.6911 56.8304 41.5781 172.9535 31 A 5.1358 8.6623 123.2678 49.6321 22.8016 173.3892 32 P 4.4008 0.0000 0.0000 62.1858 33.0079 174.9585 33 F 4.6369 8.3863 114.8086 56.1544 41.8096 172.4616 34 F 5.0102 8.5274 118.1621 56.1408 40.2853 174.8936 35 Y 4.7918 8.8922 125.4119 56.1892 40.6606 176.3217 36 G 3.8194 8.1739 111.8489 45.7841 0.0000 175.2384 37 G 3.9056 6.7996 107.4588 45.3936 0.0000 172.1909 38 C 4.8811 7.2570 111.9578 54.4906 45.1067 175.5543 39 G 3.5397 9.7164 108.5349 48.9584 0.0000 172.2800 40 G 4.0777 9.7693 107.7959 45.0117 0.0000 170.6168 41 N 5.0137 8.1025 119.6281 51.3690 40.4811 174.6545 42 R 3.9163 8.3550 115.6952 58.0455 30.6669 177.4261 43 N 4.5147 7.9032 118.7306 51.2975 37.0588 174.4230 44 N 4.8423 6.2251 115.8191 52.8363 40.3471 172.9556 45 F 5.2106 9.5139 124.4625 55.1076 42.5516 176.6792 46 D 4.7270 9.2273 122.3200 55.8456 39.7059 176.3363 47 T 4.7133 7.7559 107.8215 59.0305 72.3734 174.3051 48 E 2.5676 7.3303 122.1540 58.7143 29.5434 177.0668 49 E 4.1765 7.3874 116.0512 56.6727 30.7224 174.9927 50 Y 3.9489 8.6244 122.5527 59.9488 39.1733 171.1956 51 C 2.6879 7.5017 116.6334 59.8025 44.6264 175.8322 52 M 3.7228 7.7581 119.6192 57.9852 31.2034 178.6746 53 A 3.8786 7.5825 120.1142 54.8516 18.6903 179.1248 54 V 3.5922 7.5440 115.8868 64.7743 31.5096 176.5977 55 C 4.6109 7.9632 114.2077 56.3641 42.9528 175.2663 56 G 3.7211 7.5420 108.9508 45.4106 0.0000 175.6604 57 S 3.7740 7.1237 115.6609 60.2243 63.1066 173.5514 58 A 3.7471 7.9627 123.6594 52.7903 17.6049 177.5500 59 I 3.6674 8.0253 113.4432 62.1269 39.3169 174.6218 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 E 8.43 4.33 0.00 1.95 1.94 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 2.26 2.30 0.00 4 V 8.16 3.86 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 0.95 0.00 0.00 1.05 0.00 0.00 5 C 8.23 4.79 0.00 3.26 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 6 S 7.81 4.49 0.00 4.01 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 7 E 7.72 4.11 0.00 2.20 1.90 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 2.32 2.30 0.00 8 Q 8.27 3.89 0.00 1.95 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.13 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 9 A 7.72 3.10 -0.38 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 0.00 0.00 0.00 10 E 8.04 4.54 0.00 1.99 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 2.19 2.42 0.00 11 T 8.64 4.04 4.36 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 1.27 0.00 0.00 12 G 8.16 4.23 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 0.00 13 P 0.00 4.36 0.00 2.04 2.11 0.00 3.84 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 14 C 7.88 4.61 0.00 2.92 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 15 K 8.15 4.33 0.00 1.65 1.71 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.28 1.50 7.81 16 A 7.93 4.23 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 17 M 8.27 4.80 0.00 1.83 1.78 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 18 I 8.82 4.57 1.98 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 1.26 0.54 1.00 0.00 0.00 19 S 8.80 4.31 0.00 3.81 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 20 R 8.34 4.94 0.00 0.86 1.72 0.00 3.44 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.65 0.00 21 W 9.81 5.84 0.00 3.50 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 22 Y 9.09 5.54 0.00 3.09 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 23 F 9.55 4.51 0.00 3.05 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 24 D 7.90 4.64 0.00 2.27 2.26 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 25 V 8.45 3.62 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 0.89 0.00 0.00 0.95 0.00 0.00 26 T 7.76 3.95 4.42 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 0.00 0.00 0.00 1.19 0.00 0.00 27 E 8.21 4.27 0.00 1.86 1.87 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 2.28 2.21 0.00 28 G 7.50 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 6.67 4.75 0.00 1.58 1.84 0.00 1.40 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.25 7.81 30 C 8.72 5.04 0.00 2.87 3.26 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 31 A 8.66 5.14 0.99 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 32 P 0.00 4.40 0.00 1.48 0.79 0.00 3.41 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.38 0.00 33 F 8.39 4.64 0.00 3.09 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 34 F 8.53 5.01 0.00 2.94 2.92 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 0.00 0.00 0.00 35 Y 8.89 4.79 0.00 2.48 2.60 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 0.00 0.00 0.00 0.00 36 G 8.17 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 0.00 0.00 0.00 37 G 6.80 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 38 C 7.26 4.88 0.00 3.05 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 39 G 9.72 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 G 9.77 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.10 5.01 0.00 2.73 2.77 0.00 0.00 5.90 7.66 0.00 0.00 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 R 8.35 3.92 0.00 1.78 1.95 0.00 3.20 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 43 N 7.90 4.51 0.00 2.97 2.84 0.00 0.00 6.87 7.70 0.00 0.00 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 N 6.23 4.84 0.00 2.60 2.42 0.00 0.00 7.09 7.02 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 45 F 9.51 5.21 0.00 3.30 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 46 D 9.23 4.73 0.00 2.92 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 47 T 7.76 4.71 4.10 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 1.25 0.00 0.00 48 E 7.33 2.57 0.00 1.16 1.19 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 1.84 1.47 0.00 49 E 7.39 4.18 0.00 1.87 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 2.17 0.00 50 Y 8.62 3.95 0.00 3.12 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 51 C 7.50 2.69 0.00 3.12 3.14 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 52 M 7.76 3.72 0.00 1.99 2.14 0.00 0.00 0.00 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.62 0.00 53 A 7.58 3.88 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 54 V 7.54 3.59 1.17 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 0.77 0.00 0.00 0.17 0.00 0.00 55 C 7.96 4.61 0.00 2.69 2.16 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 0.00 0.00 0.00 0.00 56 G 7.54 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 57 S 7.12 3.77 0.00 3.76 3.89 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 58 A 7.96 3.75 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.03 3.67 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.54 0.90 0.00 0.00