NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -7 M 4.3133 8.3049 120.3251 56.1581 33.3211 174.1480 -6 H 3.8086 8.4217 114.4811 55.5071 26.3194 173.5771 -5 H 3.8779 8.5644 118.5799 57.1922 30.8131 173.1720 -4 H 4.4847 8.2290 125.5716 55.0001 32.1382 172.0520 -3 H 4.4755 8.4372 124.9683 54.6354 28.5488 174.4429 -2 H 4.6304 8.3553 124.7905 55.8258 30.7322 174.2612 -1 H 4.6936 8.8265 121.9700 53.7403 32.4130 174.2660 0 A 3.9594 8.8963 127.3859 55.5978 18.2168 177.9719 1 M 4.4079 7.9006 112.1118 55.3159 32.5653 176.2036 2 E 4.1965 8.2592 119.1968 56.7262 30.9338 175.8018 3 E 4.9027 8.7802 121.1595 54.7800 32.2748 175.3106 4 V 4.7606 9.1886 123.7443 61.5800 36.1631 173.8047 5 T 5.1500 8.7046 119.6461 61.8454 71.4123 173.4111 6 I 4.5966 8.9425 127.8877 59.6224 39.6609 174.6918 7 K 4.9157 9.3215 127.1817 54.8850 34.1131 175.2729 8 A 5.0534 9.2011 127.9691 50.4132 21.2144 175.1420 9 N 4.9571 9.0134 121.4040 52.5138 40.1461 174.4375 10 L 5.0494 8.9787 125.1670 53.1792 44.2768 175.9013 11 I 4.8108 8.4765 123.4919 59.6606 40.5848 175.3248 12 F 5.1016 9.0165 125.5962 55.7323 40.9760 176.8174 13 A 4.0785 8.2582 120.7139 55.6515 18.0893 178.5182 14 N 4.6230 8.2692 109.7345 52.7747 37.4392 175.6780 15 A 3.8718 8.5327 120.6163 52.5781 17.3088 178.9270 16 S 4.4942 7.7730 111.4937 58.7652 63.8453 172.6745 17 T 5.7022 8.0303 110.3366 59.9759 72.1787 172.3944 18 Q 4.7075 7.9841 116.3959 56.1400 31.0978 172.6927 19 T 5.2572 8.7838 116.5763 61.8026 71.7308 173.2567 20 A 4.6176 9.0939 126.9268 50.0727 22.2828 174.5785 21 E 5.0267 8.3029 120.7497 54.4774 32.2766 175.5041 22 F 4.7356 8.9522 121.3861 55.5370 42.6431 174.2284 23 K 5.7052 9.4540 121.4803 53.3024 35.1947 177.3481 24 G 3.7852 8.3759 109.5127 45.5046 0.0000 172.3953 25 T 4.6776 7.9526 114.4040 60.8220 71.0425 175.0334 26 F 3.9657 9.4569 124.3327 61.5063 39.3285 177.4071 27 E 3.9488 8.2867 117.6091 59.4115 29.3328 179.3728 28 K 3.9502 8.3063 118.3904 59.3911 32.1604 179.3434 29 A 3.9660 8.2274 121.3677 55.3816 18.3740 179.8040 30 T 3.3767 7.4898 114.1688 66.7455 68.4743 177.0233 31 S 4.2062 8.0445 116.9949 61.7399 62.8672 176.7006 32 E 3.8423 8.3694 121.3195 58.9914 29.1041 179.2438 33 A 2.5800 7.1636 120.7187 54.9004 18.3806 179.4127 34 Y 3.8031 7.2327 114.3886 60.8795 37.6199 178.5481 35 A 4.0853 7.6679 121.3019 55.1456 18.7310 178.7754 36 Y 4.3409 8.0155 117.9572 60.8130 38.7771 177.8103 37 A 3.8964 7.7624 121.7245 55.4006 18.1449 179.3935 38 D 4.7126 8.3499 117.5092 57.7330 40.6718 179.0651 39 T 4.0290 7.6145 109.0672 64.1596 69.1871 175.9155 40 L 4.1934 7.5272 120.5505 55.3696 41.8535 178.5583 41 K 4.7284 7.8285 122.2723 58.9035 31.9506 178.2789 42 K 3.9105 8.1272 118.8376 59.4504 32.1696 177.0692 43 D 4.5967 8.0084 116.0137 55.3992 41.5497 176.6633 44 N 4.7815 8.5522 114.5532 52.3307 39.8915 175.1454 45 G 4.2353 8.6958 107.0062 44.2596 0.0000 172.6333 46 E 4.4624 8.5277 117.3024 56.2375 30.4855 176.5569 47 W 5.1266 8.0616 118.4873 54.9876 31.2250 174.7901 48 T 4.8605 8.9734 117.6237 61.7471 71.7495 173.3918 49 V 5.0712 8.6227 123.8429 60.0717 34.8599 174.6972 50 D 4.8496 8.9052 121.9576 52.5829 43.9885 175.1759 51 V 4.4846 8.5779 123.8554 62.7252 32.7748 174.6488 52 A 4.6562 8.9846 127.8145 50.1823 23.6812 174.9534 53 D 4.3831 9.2731 114.8907 56.5642 38.2605 174.7250 54 K 4.0134 9.5163 110.1158 57.6814 30.1777 176.9785 55 G 4.1874 8.4600 107.1681 45.7988 0.0000 174.9021 56 Y 4.2310 8.5472 116.6141 59.0915 38.5605 174.8181 57 T 5.1310 7.8064 117.0974 61.6035 72.5257 172.5951 58 L 4.8275 9.1190 126.9688 53.0906 44.4468 175.6355 59 N 5.1017 8.9379 123.4011 52.1771 39.7817 174.2475 60 I 4.9247 8.5464 125.9293 59.1995 39.7975 174.8163 61 K 4.9239 8.9210 128.6364 54.6139 33.8508 174.4988 62 F 5.2778 9.0644 125.7180 55.9417 40.6020 176.8128 63 A 4.1124 9.3860 125.8636 52.8696 19.0972 177.8696 64 G 4.0936 8.3126 109.0104 45.9795 0.0000 173.2835 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 -7 M 8.30 4.31 0.00 1.85 2.04 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 -6 H 8.42 3.81 0.00 3.36 3.32 0.00 5.74 0.00 0.00 0.00 0.00 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -5 H 8.56 3.88 0.00 3.03 3.26 0.00 5.89 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -4 H 8.23 4.48 0.00 2.92 2.99 0.00 5.97 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -3 H 8.44 4.48 0.00 3.16 3.18 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 -2 H 8.36 4.63 0.00 3.07 3.17 0.00 5.87 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 H 8.83 4.69 0.00 3.21 3.10 0.00 5.89 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 A 8.90 3.96 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.90 4.41 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.48 0.00 2 E 8.26 4.20 0.00 2.13 2.20 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 2.47 2.43 0.00 3 E 8.78 4.90 0.00 1.86 1.91 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 2.22 2.47 0.00 4 V 9.19 4.76 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 1.21 0.00 0.00 1.40 0.00 0.00 5 T 8.70 5.15 4.31 0.00 0.00 0.00 0.00 0.00 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 6 I 8.94 4.60 1.84 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.76 0.75 0.00 0.00 7 K 9.32 4.92 0.00 1.73 1.74 0.00 1.57 0.00 0.00 1.91 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.45 7.81 8 A 9.20 5.05 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 9 N 9.01 4.96 0.00 2.85 2.78 0.00 0.00 6.51 6.41 0.00 0.00 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 L 8.98 5.05 0.00 1.40 1.30 1.15 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.48 4.81 1.85 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 1.23 0.82 0.95 0.00 0.00 12 F 9.02 5.10 0.00 3.02 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 13 A 8.26 4.08 1.42 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 0.00 0.00 0.00 14 N 8.27 4.62 0.00 2.87 2.95 0.00 0.00 6.05 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 15 A 8.53 3.87 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.77 4.49 0.00 4.09 4.06 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 17 T 8.03 5.70 4.37 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 1.33 0.00 0.00 18 Q 7.98 4.71 0.00 2.20 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.89 0.00 0.00 0.00 0.00 0.00 2.55 2.45 0.00 19 T 8.78 5.26 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 1.29 0.00 0.00 20 A 9.09 4.62 1.12 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 0.00 0.00 0.00 21 E 8.30 5.03 0.00 1.64 1.72 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 2.16 2.21 0.00 22 F 8.95 4.74 0.00 2.93 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 23 K 9.45 5.71 0.00 1.59 1.69 0.00 1.84 0.00 0.00 2.36 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.20 7.81 24 G 8.38 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 25 T 7.95 4.68 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 26 F 9.46 3.97 0.00 3.05 3.09 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 0.00 27 E 8.29 3.95 0.00 2.15 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 2.42 2.57 0.00 28 K 8.31 3.95 0.00 1.86 1.86 0.00 1.57 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.51 7.81 29 A 8.23 3.97 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 30 T 7.49 3.38 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 31 S 8.04 4.21 0.00 4.00 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 32 E 8.37 3.84 0.00 1.95 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 2.32 2.50 0.00 33 A 7.16 2.58 0.69 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 0.00 0.00 34 Y 7.23 3.80 0.00 3.12 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 35 A 7.67 4.09 1.38 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 36 Y 8.02 4.34 0.00 3.07 3.09 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 0.00 37 A 7.76 3.90 0.35 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 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.35 4.71 0.00 3.03 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 39 T 7.61 4.03 4.30 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 1.36 0.00 0.00 40 L 7.53 4.19 0.00 1.60 1.51 0.48 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.83 4.73 0.00 2.07 2.06 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.75 1.60 7.81 42 K 8.13 3.91 0.00 1.78 1.86 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.50 7.81 43 D 8.01 4.60 0.00 2.62 2.62 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 44 N 8.55 4.78 0.00 2.77 2.93 0.00 0.00 6.91 6.87 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 45 G 8.70 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 0.00 0.00 0.00 0.00 46 E 8.53 4.46 0.00 1.91 1.75 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 2.31 2.30 0.00 47 W 8.06 5.13 0.00 2.64 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 0.00 0.00 0.00 48 T 8.97 4.86 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 49 V 8.62 5.07 2.47 0.00 0.00 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 1.07 0.00 0.00 50 D 8.91 4.85 0.00 2.60 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 8.58 4.48 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 0.80 0.00 0.00 1.02 0.00 0.00 52 A 8.98 4.66 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 53 D 9.27 4.38 0.00 2.97 2.81 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 54 K 9.52 4.01 0.00 2.14 2.00 0.00 1.79 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.48 1.45 7.81 55 G 8.46 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 0.00 0.00 0.00 0.00 56 Y 8.55 4.23 0.00 3.33 3.12 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 0.00 57 T 7.81 5.13 4.44 0.00 0.00 0.00 0.00 0.00 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 58 L 9.12 4.83 0.00 1.32 1.38 0.17 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.94 5.10 0.00 2.80 2.77 0.00 0.00 6.45 6.82 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 60 I 8.55 4.92 1.65 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.76 0.29 0.00 0.00 61 K 8.92 4.92 0.00 1.81 1.60 0.00 1.53 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.45 7.81 62 F 9.06 5.28 0.00 3.15 3.35 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 0.00 0.00 0.00 0.00 63 A 9.39 4.11 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 64 G 8.31 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 0.00 0.00 0.00 0.00