NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 T 4.0901 8.1749 117.3408 63.4929 68.9025 172.4206 5 R 4.1110 7.6994 125.5541 54.0214 32.6354 173.6791 6 Y 5.4609 8.2985 119.4432 55.9082 41.8242 174.6810 7 C 4.1431 9.5063 123.4198 60.3415 31.9271 174.9240 8 A 4.1420 9.0606 129.2817 54.8009 18.4364 178.9314 9 V 3.8608 7.8890 115.1919 65.2541 31.6742 176.4628 10 C 4.6932 7.8420 111.6634 57.2759 30.8849 174.6053 11 N 4.5096 8.1272 116.6131 53.7047 36.2756 173.7628 12 D 4.5468 7.5428 119.2626 53.6578 43.4943 174.2881 13 Y 5.0252 8.2562 116.9876 58.0271 38.2394 176.4861 14 A 4.5021 9.1401 126.7856 52.1379 19.0126 177.2263 15 S 4.6592 8.6490 113.2374 58.8241 65.2440 174.3498 16 G 3.7042 7.3021 106.6527 45.8424 0.0000 170.4653 17 Y 3.9407 7.9900 121.8311 55.9258 39.3174 175.1963 18 H 4.6057 8.3929 125.1177 55.4168 31.6050 173.7168 19 Y 3.3318 8.9112 118.4805 59.1217 35.5815 171.9579 20 G 3.7874 8.0087 104.6911 45.1824 0.0000 173.6946 21 V 3.9082 6.8541 112.0884 59.1973 37.1925 173.6851 22 W 4.6269 8.7383 121.5251 56.7963 30.0891 176.0693 23 S 5.0916 8.8961 117.9369 57.1804 66.3446 174.1107 24 C 4.8514 8.7419 116.5154 57.8484 30.5020 174.4775 25 E 4.1293 8.8127 119.5189 59.0946 28.8281 179.9380 26 G 3.5881 8.0300 105.6052 48.2333 0.0000 175.5803 27 C 4.3145 8.0756 119.2774 61.6483 28.0762 176.0846 28 K 4.0898 8.1023 121.5220 59.6567 31.8101 178.8030 29 A 4.0785 8.3357 121.2301 54.9127 18.1800 179.3413 30 F 4.1418 8.5333 119.4258 61.5720 39.5053 177.1605 31 F 3.7190 8.6937 120.6191 60.7723 38.8407 176.8188 32 K 3.5510 7.9717 118.7654 59.6456 32.2810 178.5138 33 R 3.9572 8.5344 118.7726 59.3091 30.0128 179.1083 34 S 3.7702 7.7122 115.4162 61.4377 62.6267 176.6019 35 I 3.7468 6.7695 112.8440 62.5712 37.3532 176.9619 36 Q 4.3037 7.5020 119.3958 54.7147 28.9396 175.3078 37 G 4.0602 7.4210 110.3864 45.1851 0.0000 173.5004 38 H 4.4965 7.8468 116.3632 54.6851 30.5748 173.6345 39 N 4.4153 8.5640 118.9416 52.6482 39.2004 174.8583 40 D 4.1640 8.3458 120.4583 55.3556 41.3691 176.5635 41 Y 4.9358 8.1407 119.9050 57.3659 39.5093 174.8152 42 M 4.7943 8.3460 119.7575 53.7339 35.1801 174.9825 43 C 4.4304 8.6322 124.2668 57.9445 32.5324 172.4456 44 P 4.3736 0.0000 0.0000 64.5772 32.4555 176.2682 45 A 4.7704 6.9726 120.4861 52.7964 19.0698 176.7407 46 T 4.5330 8.5352 108.5246 63.8730 68.8503 173.8194 47 N 4.9424 8.6385 115.9460 55.2568 35.7662 174.7237 48 Q 4.5881 7.3244 112.2552 55.0593 30.0110 174.9499 49 C 4.3126 7.9493 114.7877 59.7906 29.2336 174.2433 50 T 4.1981 8.1209 117.9977 62.6076 67.5239 174.8880 51 I 4.1384 8.1108 128.6803 60.0396 38.0047 175.1320 52 D 4.9412 7.9853 123.7516 50.6934 42.3805 175.3441 53 K 3.8183 8.7085 118.8688 59.7428 32.4868 178.3056 54 N 4.5884 8.2709 115.3487 55.6841 39.0930 177.4188 55 R 4.0494 9.5129 119.8228 58.3508 29.9056 179.0606 56 R 3.8306 7.6202 115.6713 58.9642 29.4222 178.6888 57 K 4.0018 7.6155 117.8878 58.9582 32.0040 179.1720 58 S 4.4022 7.5823 115.5617 60.0567 63.5670 175.2500 59 C 4.4282 7.4992 128.8792 57.9851 31.5203 173.7924 60 Q 3.7392 8.1842 127.5473 58.3121 28.2675 178.1108 61 A 4.2956 7.8843 121.6277 55.4664 18.4646 179.3414 62 C 4.1777 8.0200 114.8540 62.5856 28.1974 175.8533 63 R 3.8128 7.9272 120.5215 59.6006 29.6131 178.3414 64 L 4.3029 8.4129 119.9419 58.1903 42.0383 178.8582 65 R 4.1657 8.0634 118.9190 59.5004 30.0930 178.5169 66 K 4.0383 8.6434 119.7274 59.3160 31.8778 178.5485 67 C 4.0045 8.1324 117.0127 63.2094 28.3926 175.4484 68 Y 4.3498 8.1737 118.1018 60.9775 37.2196 178.1273 69 E 4.0754 8.4515 119.3081 59.4310 29.7309 179.0852 70 V 3.9904 7.5307 109.2688 61.4029 31.8317 175.9588 71 G 3.9973 8.4455 110.6262 46.4681 0.0000 174.7034 72 M 3.7087 7.3427 119.7737 54.5146 32.2272 176.9040 73 M 5.0713 8.8958 124.6605 54.1934 36.2634 173.5054 74 K 4.6698 8.8123 121.3016 56.2652 31.6663 178.0990 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 4 T 8.17 4.09 4.07 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 1.02 0.00 0.00 5 R 7.70 4.11 0.00 1.66 1.49 0.00 2.21 0.00 0.00 2.64 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.50 0.00 6 Y 8.30 5.46 0.00 2.90 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 7 C 9.51 4.14 0.00 3.05 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 8 A 9.06 4.14 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 9 V 7.89 3.86 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 0.84 0.00 0.00 0.92 0.00 0.00 10 C 7.84 4.69 0.00 2.94 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 11 N 8.13 4.51 0.00 2.84 2.82 0.00 0.00 6.90 7.87 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 12 D 7.54 4.55 0.00 2.78 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 13 Y 8.26 5.03 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 14 A 9.14 4.50 1.56 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 0.00 0.00 0.00 15 S 8.65 4.66 0.00 4.06 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 16 G 7.30 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 7.99 3.94 0.00 1.55 2.31 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 18 H 8.39 4.61 0.00 3.14 3.01 0.00 5.82 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 8.91 3.33 0.00 2.83 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 20 G 8.01 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 21 V 6.85 3.91 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 0.54 0.00 0.00 0.83 0.00 0.00 22 W 8.74 4.63 0.00 3.45 3.34 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 23 S 8.90 5.09 0.00 3.92 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 24 C 8.74 4.85 0.00 3.20 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 25 E 8.81 4.13 0.00 2.04 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 0.00 2.45 2.35 0.00 26 G 8.03 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.08 4.31 0.00 3.03 3.05 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 0.00 0.00 0.00 28 K 8.10 4.09 0.00 1.85 2.05 0.00 1.23 0.00 0.00 1.58 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.58 1.61 7.81 29 A 8.34 4.08 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.53 4.14 0.00 3.12 3.33 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 31 F 8.69 3.72 0.00 3.07 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 32 K 7.97 3.55 0.00 1.96 2.03 0.00 1.92 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.55 7.81 33 R 8.53 3.96 0.00 1.92 1.88 0.00 3.20 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 34 S 7.71 3.77 0.00 3.23 3.44 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 35 I 6.77 3.75 1.66 0.00 0.00 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 1.41 0.65 0.04 0.00 0.00 36 Q 7.50 4.30 0.00 1.97 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.96 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 37 G 7.42 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 0.00 0.00 0.00 38 H 7.85 4.50 0.00 3.09 3.09 0.00 5.53 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 N 8.56 4.42 0.00 2.73 2.75 0.00 0.00 6.96 8.06 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 40 D 8.35 4.16 0.00 2.59 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 41 Y 8.14 4.94 0.00 3.08 2.82 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 42 M 8.35 4.79 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 43 C 8.63 4.43 0.00 3.07 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 P 0.00 4.37 0.00 2.22 2.17 0.00 3.76 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 45 A 6.97 4.77 0.95 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 0.00 0.00 46 T 8.54 4.53 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 1.21 0.00 0.00 47 N 8.64 4.94 0.00 2.93 3.01 0.00 0.00 6.89 7.69 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 48 Q 7.32 4.59 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.56 6.94 0.00 0.00 0.00 0.00 0.00 2.30 2.53 0.00 49 C 7.95 4.31 0.00 2.94 2.86 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 50 T 8.12 4.20 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 51 I 8.11 4.14 1.83 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 1.45 0.75 0.83 0.00 0.00 52 D 7.99 4.94 0.00 2.76 2.69 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 53 K 8.71 3.82 0.00 1.67 1.83 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.39 1.45 7.81 54 N 8.27 4.59 0.00 2.73 2.79 0.00 0.00 7.15 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 55 R 9.51 4.05 0.00 1.78 1.97 0.00 3.25 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 56 R 7.62 3.83 0.00 1.80 2.16 0.00 2.96 0.00 0.00 3.30 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.50 0.00 57 K 7.62 4.00 0.00 1.70 1.85 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.56 7.81 58 S 7.58 4.40 0.00 3.90 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 59 C 7.50 4.43 0.00 2.94 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 60 Q 8.18 3.74 0.00 1.47 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 61 A 7.88 4.30 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 62 C 8.02 4.18 0.00 2.98 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 63 R 7.93 3.81 0.00 1.77 1.68 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.34 0.00 64 L 8.41 4.30 0.00 2.31 2.04 0.79 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 65 R 8.06 4.17 0.00 2.13 2.27 0.00 3.20 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 66 K 8.64 4.04 0.00 1.87 1.81 0.00 1.71 0.00 0.00 1.79 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.51 7.81 67 C 8.13 4.00 0.00 3.06 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.17 4.35 0.00 3.25 2.99 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 69 E 8.45 4.08 0.00 2.11 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 0.00 2.41 2.67 0.00 70 V 7.53 3.99 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 0.84 0.00 0.00 1.00 0.00 0.00 71 G 8.45 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 M 7.34 3.71 0.00 0.51 1.05 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.24 0.00 73 M 8.90 5.07 0.00 1.72 1.76 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 74 K 8.81 4.67 0.00 1.54 1.61 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.68 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.36 1.01 7.81