NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 N 4.6807 8.4244 118.1258 53.1082 39.9944 173.0071 11 V 4.1680 8.1268 122.5633 60.4178 33.3500 173.8882 12 Q 4.2355 9.2221 127.1055 55.4936 30.4933 176.4611 13 R 4.1493 8.3453 119.5960 55.2458 32.1954 176.0688 14 P 4.1989 0.0000 0.0000 66.3033 31.1903 179.0565 15 L 3.9647 7.8195 115.0948 57.5164 41.9780 178.7356 16 D 4.6122 8.0983 118.4553 56.7427 40.9736 178.3398 17 A 4.1328 8.1649 121.5634 55.1906 18.3496 179.1038 18 L 3.8712 7.9427 118.9406 58.5326 41.8300 179.4360 19 G 3.9337 7.9649 104.9383 48.0261 0.0000 175.2733 20 N 4.5116 8.4217 117.9369 55.6399 38.8759 176.5017 21 S 4.5664 8.0428 115.4296 57.3069 63.2365 173.8992 22 L 4.3731 7.3744 123.1803 56.3649 41.7682 176.8132 23 N 4.4245 9.7129 120.2951 54.0250 36.6485 174.0266 24 S 5.0407 7.7282 113.6641 55.7027 67.0972 171.7410 25 P 4.9721 0.0000 0.0000 63.1766 32.7067 175.5973 26 V 4.9960 9.0852 115.4537 59.8507 36.9066 174.1356 27 I 5.0779 8.8688 122.3429 59.7110 40.5470 174.7607 28 I 4.8153 9.3460 127.9221 59.3160 40.2116 174.2603 29 K 4.5313 8.2746 128.5587 54.6897 33.8603 175.3754 30 L 5.0825 8.6014 127.1848 52.7375 44.6049 176.1744 31 K 4.0360 8.7884 120.7508 57.6754 32.4765 178.1228 32 G 3.8007 8.8681 110.4216 45.0987 0.0000 174.8062 33 D 4.4785 7.8267 117.2079 54.2471 39.8108 174.2134 34 R 4.0331 7.4098 120.3736 56.6226 31.4143 174.8677 35 E 5.1809 8.2704 124.3259 54.5544 33.5210 174.0237 36 F 5.3724 9.3004 123.2014 55.9230 43.8546 173.9961 37 R 5.1278 8.8271 119.0019 54.5420 34.7196 175.0622 38 G 4.1939 8.0777 107.4301 46.5787 0.0000 171.2291 39 V 4.6883 7.8682 120.2446 61.2418 33.1287 175.2159 40 L 4.4236 8.8346 131.0592 55.4093 42.2250 177.0558 41 K 3.9976 8.8095 126.6344 57.8219 34.0245 176.3176 42 S 4.6969 7.7603 112.5300 58.2476 65.8076 174.4663 43 F 5.6933 7.9884 114.2306 57.5468 40.3965 171.8984 44 D 4.8307 8.4005 117.5035 51.3146 42.3597 176.0472 45 L 4.0441 8.4585 117.8825 57.7380 41.6046 177.9944 46 H 4.5772 8.3277 114.3680 55.7996 29.2999 175.7415 47 M 3.4521 8.6037 119.2398 56.0148 31.3806 175.6831 48 N 5.1089 8.3893 114.7010 53.1733 40.0072 174.0355 49 L 5.1468 8.9536 120.8984 54.5417 44.7482 174.5418 50 V 4.8096 8.6721 120.3381 61.2376 33.8183 174.2964 51 L 5.2805 9.0037 127.7719 53.1363 44.9058 175.5302 52 N 5.0281 9.3348 120.4321 51.7178 41.3423 174.3853 53 D 4.4091 8.5237 117.4977 55.3308 38.8826 174.0533 54 A 4.8846 8.0158 119.6260 51.9467 20.7343 177.7499 55 E 5.0761 8.8452 117.3670 54.9677 33.5502 174.1049 56 E 4.0879 8.8953 124.7076 55.6960 30.9962 175.1427 57 L 5.2269 8.4008 125.5472 52.9423 45.5649 175.7617 58 E 4.4297 8.4920 121.1586 56.0079 32.3992 175.0437 59 D 4.5284 10.1145 124.2127 55.1723 38.7093 173.8472 60 G 3.8944 9.1811 103.7952 45.8427 0.0000 173.8368 61 E 4.5087 8.2616 118.4388 53.8160 33.4095 174.9661 62 V 3.8139 8.5983 123.4900 64.1170 31.5065 175.3692 63 T 4.4411 8.4582 116.6727 60.5135 69.3542 174.2106 64 R 4.3668 6.8950 120.0632 56.3133 32.5408 172.7802 65 R 4.9508 8.6859 123.1565 54.5473 32.2526 175.8354 66 L 4.6999 8.7887 120.9125 53.3669 44.8818 178.9899 67 G 3.9002 7.9356 106.8415 46.4706 0.0000 173.7562 68 T 4.8243 8.4715 121.7473 63.1767 69.1901 174.4143 69 V 4.5119 8.9946 125.6451 59.7382 35.3602 174.0798 70 L 5.0084 8.4939 124.4427 53.6627 43.5997 175.1870 71 I 4.3027 8.7644 127.9814 59.2731 39.6161 175.3016 72 R 4.3591 8.5048 127.7165 55.6893 30.8359 176.9752 73 G 4.0801 10.0156 115.2482 47.5697 0.0000 174.5967 74 D 4.5433 8.0232 116.6185 54.7174 39.7208 176.4121 75 N 4.6257 8.0913 117.5721 54.0705 39.2598 175.1630 76 I 4.0702 7.5438 120.2740 61.4234 37.8157 175.2955 77 V 4.3000 8.6225 125.6616 64.4102 32.4465 175.1023 78 Y 4.9947 7.1156 115.9855 56.0595 41.4325 172.8183 79 I 5.2464 8.5185 120.3611 59.7338 40.4865 174.9161 80 S 4.8687 9.1966 120.5673 56.3495 67.1944 172.9700 81 R 4.4526 8.5665 118.8140 55.4044 30.7754 174.9312 82 G 4.2991 8.7250 114.5635 45.8966 0.0000 174.0380 83 K 4.3035 8.8101 125.3759 56.3614 33.2713 175.6061 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 10 N 8.42 4.68 0.00 2.73 2.83 0.00 0.00 6.74 6.79 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 11 V 8.13 4.17 2.08 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 0.79 0.00 0.00 0.93 0.00 0.00 12 Q 9.22 4.24 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 13 R 8.35 4.15 0.00 1.83 1.86 0.00 3.33 0.00 0.00 3.34 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 14 P 0.00 4.20 0.00 2.13 2.11 0.00 3.60 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 15 L 7.82 3.96 0.00 1.65 1.84 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.10 4.61 0.00 2.85 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 17 A 8.16 4.13 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 18 L 7.94 3.87 0.00 1.48 0.84 -0.02 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 19 G 7.96 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 0.00 0.00 0.00 20 N 8.42 4.51 0.00 2.76 2.91 0.00 0.00 7.02 7.38 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 21 S 8.04 4.57 0.00 3.97 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 22 L 7.37 4.37 0.00 1.71 1.67 0.99 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 23 N 9.71 4.42 0.00 2.84 2.98 0.00 0.00 6.81 7.45 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 24 S 7.73 5.04 0.00 3.96 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 25 P 0.00 4.97 0.00 2.13 2.19 0.00 3.65 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 26 V 9.09 5.00 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 0.96 0.00 0.00 1.00 0.00 0.00 27 I 8.87 5.08 1.99 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.82 1.03 0.00 0.00 28 I 9.35 4.82 1.93 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 1.10 0.74 0.91 0.00 0.00 29 K 8.27 4.53 0.00 0.79 0.74 0.00 1.46 0.00 0.00 1.51 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.16 1.31 7.81 30 L 8.60 5.08 0.00 1.69 1.57 1.01 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.79 4.04 0.00 1.59 1.75 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.57 7.81 32 G 8.87 3.80 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 0.00 0.00 0.00 33 D 7.83 4.48 0.00 2.79 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 34 R 7.41 4.03 0.00 1.92 1.91 0.00 3.16 0.00 0.00 3.31 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.59 0.00 35 E 8.27 5.18 0.00 1.95 1.58 0.00 0.00 0.00 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 2.42 0.00 36 F 9.30 5.37 0.00 3.00 2.91 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 37 R 8.83 5.13 0.00 1.77 1.79 0.00 3.23 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 38 G 8.08 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 39 V 7.87 4.69 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 0.88 0.00 0.00 0.95 0.00 0.00 40 L 8.83 4.42 0.00 1.85 1.73 1.05 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.81 4.00 0.00 1.67 1.84 0.00 1.83 0.00 0.00 1.77 0.00 0.00 3.14 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.60 1.63 7.81 42 S 7.76 4.70 0.00 3.71 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 43 F 7.99 5.69 0.00 3.12 3.03 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 44 D 8.40 4.83 0.00 2.81 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 45 L 8.46 4.04 0.00 1.56 1.75 0.98 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 46 H 8.33 4.58 0.00 3.41 3.30 0.00 5.71 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 M 8.60 3.45 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 48 N 8.39 5.11 0.00 3.01 2.74 0.00 0.00 6.53 6.07 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 49 L 8.95 5.15 0.00 1.85 1.79 0.88 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.67 4.81 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 1.05 0.00 0.00 0.92 0.00 0.00 51 L 9.00 5.28 0.00 1.57 1.52 0.93 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 52 N 9.33 5.03 0.00 2.64 2.73 0.00 0.00 7.02 7.97 0.00 0.00 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 8.52 4.41 0.00 2.78 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 54 A 8.02 4.88 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 E 8.85 5.08 0.00 2.04 2.05 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 2.22 2.27 0.00 56 E 8.90 4.09 0.00 1.80 1.66 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 0.00 1.97 1.60 0.00 57 L 8.40 5.23 0.00 1.35 1.44 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.49 4.43 0.00 1.94 1.68 0.00 0.00 0.00 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 2.26 0.00 59 D 10.11 4.53 0.00 2.77 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 60 G 9.18 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 0.00 0.00 0.00 61 E 8.26 4.51 0.00 1.96 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 2.21 2.22 0.00 62 V 8.60 3.81 2.07 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 0.83 0.00 0.00 0.96 0.00 0.00 63 T 8.46 4.44 4.20 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 1.29 0.00 0.00 64 R 6.89 4.37 0.00 1.78 1.74 0.00 3.12 0.00 0.00 3.49 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.46 0.00 65 R 8.69 4.95 0.00 1.82 1.82 0.00 3.37 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 66 L 8.79 4.70 0.00 1.64 1.71 0.97 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 67 G 7.94 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.47 4.82 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 1.26 0.00 0.00 69 V 8.99 4.51 2.08 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 0.89 0.00 0.00 0.82 0.00 0.00 70 L 8.49 5.01 0.00 1.61 1.57 0.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.76 4.30 1.73 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.27 0.72 0.00 0.00 72 R 8.50 4.36 0.00 1.81 1.77 0.00 3.18 0.00 0.00 3.46 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.61 0.00 73 G 10.02 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 74 D 8.02 4.54 0.00 2.79 2.79 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 75 N 8.09 4.63 0.00 2.85 2.87 0.00 0.00 6.92 7.73 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 76 I 7.54 4.07 1.94 0.00 0.00 0.83 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 0.52 0.89 0.00 0.00 77 V 8.62 4.30 2.07 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 0.90 0.00 0.00 0.97 0.00 0.00 78 Y 7.12 4.99 0.00 3.02 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 79 I 8.52 5.25 1.89 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.69 0.92 0.00 0.00 80 S 9.20 4.87 0.00 3.84 3.96 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 0.00 0.00 0.00 81 R 8.57 4.45 0.00 1.73 1.91 0.00 3.37 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 82 G 8.72 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 0.00 0.00 0.00 0.00 83 K 8.81 4.30 0.00 1.70 1.65 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.42 7.81