NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5050 8.3049 120.3270 55.6784 32.6876 175.5029 2 D 4.9078 8.5390 127.2528 53.9486 41.5373 173.3481 3 E 4.6963 7.6762 115.0804 55.7567 31.7958 176.8087 4 T 4.2542 7.0581 106.9933 62.1953 68.9053 172.7541 5 G 4.9638 7.6576 127.0700 46.5629 0.0000 171.6703 6 K 4.4633 7.8697 117.6258 56.4137 35.2817 176.1235 7 E 4.8391 7.5141 115.8680 55.5064 34.2756 173.5714 8 L 5.2790 8.2974 120.4139 53.5599 46.8072 175.3376 9 V 4.8671 9.0254 114.2363 59.5635 35.9078 174.4064 10 L 4.9947 9.1380 125.6953 53.9347 44.1976 175.1731 11 A 4.7231 9.0284 128.5053 51.2457 19.5398 177.8280 12 L 3.8086 9.1716 123.8428 57.5887 42.3039 177.3938 13 Y 4.8462 7.6536 114.3554 55.4821 40.5207 175.5396 14 D 4.8402 8.8691 122.7805 54.2751 40.4237 174.1198 15 Y 5.0113 8.7173 119.9294 56.8408 42.9213 175.0777 16 Q 4.5469 7.6570 119.7365 54.5106 31.3163 174.3614 17 E 4.2078 8.9366 122.8263 56.7750 30.0213 177.9681 18 K 4.3917 8.8719 119.4254 56.6290 34.9648 176.0638 19 S 4.8772 7.6492 112.9846 55.2509 65.5364 173.0175 20 P 4.3689 0.0000 0.0000 64.8576 31.2857 177.0155 21 R 4.5991 7.7915 115.3393 55.7450 29.6803 175.2579 22 E 4.8397 7.8672 117.7716 55.4381 32.9683 173.7780 23 V 5.2522 7.7789 114.2795 58.9244 35.7825 174.2036 24 T 5.2114 8.3097 114.5049 61.6233 71.5804 171.7776 25 M 5.0091 8.5716 119.8463 54.2893 34.9925 173.3590 26 K 5.0762 8.4639 117.4562 53.6719 36.7031 175.8822 27 K 3.9280 8.6858 121.2729 59.6562 32.1715 176.7476 28 G 3.8166 9.3834 112.6784 45.2705 0.0000 172.0150 29 D 4.8400 8.1789 119.4638 53.0481 43.3789 175.1101 30 I 5.1754 8.1763 121.9486 59.4531 40.3870 174.9560 31 L 4.8336 8.6819 126.1942 52.8702 45.4065 176.0128 32 T 4.5121 8.4669 119.8486 63.2602 69.3549 173.5986 33 L 4.2481 8.5912 130.4080 55.4575 42.2124 175.8684 34 L 4.6751 9.0555 125.3144 56.0063 44.2242 176.8153 35 N 5.0184 7.8634 114.4211 51.3916 43.1095 174.9425 36 S 4.9304 8.4092 116.5556 58.0068 63.3984 175.5963 37 T 3.5679 8.4745 115.6263 64.2203 67.0797 173.2441 38 N 4.8854 7.6367 118.8125 52.5335 40.2142 174.1474 39 K 4.7868 8.5305 116.4006 56.0227 34.1002 176.5631 40 D 4.4903 8.2693 118.7610 54.3835 43.4203 176.4234 41 W 5.2367 7.9888 115.4436 54.5124 33.0792 175.0080 42 W 5.3971 9.4072 122.5064 54.9330 32.8864 174.5721 43 K 4.6369 9.5316 125.2871 55.6211 32.6901 175.8493 44 V 4.9263 8.7251 120.6751 59.4657 35.9486 174.3386 45 E 4.9350 8.8087 123.5341 54.9165 31.0079 176.0269 46 V 4.4354 8.6869 121.1688 59.9721 34.4609 174.8476 47 K 5.0340 8.3580 119.8956 55.4657 35.2188 175.4220 48 A 4.5105 8.6076 122.4202 50.9429 23.0339 175.3028 49 T 4.8006 8.2433 117.2990 61.6843 70.6692 174.0623 50 A 4.6212 9.2105 127.9933 52.2601 22.4090 175.5719 51 N 4.3333 9.7553 116.5937 54.2950 36.2157 175.0332 52 G 3.9800 8.5264 102.8973 46.2011 0.0000 174.2283 53 K 4.6777 8.2443 118.1534 54.2641 35.8110 175.4636 54 T 4.8751 8.5237 112.1345 60.1388 70.2382 173.2872 55 Y 5.0125 8.3861 124.0431 55.1233 41.8245 174.0488 56 E 5.2400 8.9733 119.5016 54.8921 32.3912 175.3873 57 R 4.8550 9.0349 118.1853 54.6798 33.4148 174.0949 58 Q 4.7813 8.6175 118.8373 55.4047 30.5958 174.9769 59 G 4.0684 8.5688 108.3338 45.9268 0.0000 171.5301 60 F 5.7223 8.6958 117.4262 55.8357 42.2903 175.4923 61 V 4.9701 9.2426 114.8122 58.6937 36.6305 173.1010 62 P 3.5198 0.0000 0.0000 62.3021 31.3900 176.8676 63 A 2.7767 7.5783 127.4053 53.2761 17.7502 178.2180 64 A 3.8493 7.0632 117.1735 53.9467 19.1144 177.6133 65 Y 5.1310 7.4518 112.7773 58.4432 40.1510 176.3019 66 V 5.0505 7.6153 110.8718 59.3542 35.0112 175.2905 67 K 5.0561 9.0075 123.9978 54.3959 35.5760 175.5480 68 K 4.3066 9.0030 128.4013 56.4567 32.9545 175.9944 69 L 4.6365 8.3003 125.5185 54.4249 42.0528 176.6002 70 D 4.5096 8.1665 124.1602 53.9259 39.0247 176.1218 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 1 M 8.30 4.51 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.57 0.00 2 D 8.54 4.91 0.00 2.70 2.65 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 3 E 7.68 4.70 0.00 1.90 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 0.00 2.20 2.21 0.00 4 T 7.06 4.25 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 1.20 0.00 0.00 5 G 7.66 4.96 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 0.00 0.00 0.00 6 K 7.87 4.46 0.00 1.64 1.72 0.00 1.65 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.48 7.81 7 E 7.51 4.84 0.00 1.92 1.70 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 2.25 2.20 0.00 8 L 8.30 5.28 0.00 1.53 1.49 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 9 V 9.03 4.87 2.34 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 0.83 0.00 0.00 1.10 0.00 0.00 10 L 9.14 4.99 0.00 1.69 1.54 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 11 A 9.03 4.72 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 12 L 9.17 3.81 0.00 1.29 1.21 0.99 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 7.65 4.85 0.00 2.32 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.87 4.84 0.00 2.71 2.72 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 15 Y 8.72 5.01 0.00 2.98 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 16 Q 7.66 4.55 0.00 1.75 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.65 0.00 0.00 0.00 0.00 0.00 2.25 2.10 0.00 17 E 8.94 4.21 0.00 2.12 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 2.41 2.37 0.00 18 K 8.87 4.39 0.00 1.83 1.90 0.00 1.51 0.00 0.00 1.98 0.00 0.00 3.08 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.29 1.31 7.81 19 S 7.65 4.88 0.00 3.99 3.98 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 20 P 0.00 4.37 0.00 2.22 2.24 0.00 3.76 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 21 R 7.79 4.60 0.00 2.04 2.09 0.00 3.00 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 22 E 7.87 4.84 0.00 1.93 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 2.47 2.63 0.00 23 V 7.78 5.25 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 1.21 0.00 0.00 1.02 0.00 0.00 24 T 8.31 5.21 4.43 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 25 M 8.57 5.01 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.66 0.00 26 K 8.46 5.08 0.00 1.71 1.71 0.00 1.70 0.00 0.00 1.88 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.42 7.81 27 K 8.69 3.93 0.00 1.80 1.84 0.00 1.59 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.39 7.81 28 G 9.38 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 29 D 8.18 4.84 0.00 3.00 2.56 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 30 I 8.18 5.18 1.88 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 1.35 0.80 0.94 0.00 0.00 31 L 8.68 4.83 0.00 1.59 1.56 0.95 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 32 T 8.47 4.51 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 33 L 8.59 4.25 0.00 1.57 1.49 0.80 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 34 L 9.06 4.68 0.00 1.65 1.63 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 35 N 7.86 5.02 0.00 2.71 2.74 0.00 0.00 6.50 7.59 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 36 S 8.41 4.93 0.00 3.21 3.45 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 0.00 0.00 0.00 0.00 37 T 8.47 3.57 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 1.33 0.00 0.00 38 N 7.64 4.89 0.00 2.88 3.12 0.00 0.00 7.06 6.61 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 39 K 8.53 4.79 0.00 1.76 1.82 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.48 7.81 40 D 8.27 4.49 0.00 2.80 2.32 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.99 5.24 0.00 3.00 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 42 W 9.41 5.40 0.00 3.34 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 43 K 9.53 4.64 0.00 1.82 1.90 0.00 0.82 0.00 0.00 0.61 0.00 0.00 2.82 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.23 1.23 7.81 44 V 8.73 4.93 2.19 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 0.76 0.00 0.00 0.99 0.00 0.00 45 E 8.81 4.93 0.00 1.93 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 2.32 2.31 0.00 46 V 8.69 4.44 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 0.69 0.00 0.00 0.98 0.00 0.00 47 K 8.36 5.03 0.00 1.62 1.70 0.00 1.54 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.25 1.34 7.81 48 A 8.61 4.51 0.74 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 0.00 0.00 49 T 8.24 4.80 4.22 0.00 0.00 0.00 0.00 0.00 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 50 A 9.21 4.62 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 51 N 9.76 4.33 0.00 2.90 2.92 0.00 0.00 7.02 7.67 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 52 G 8.53 3.98 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 0.00 0.00 0.00 53 K 8.24 4.68 0.00 1.94 1.73 0.00 1.68 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.51 7.81 54 T 8.52 4.88 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 1.19 0.00 0.00 55 Y 8.39 5.01 0.00 3.06 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 56 E 8.97 5.24 0.00 1.88 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 2.30 2.26 0.00 57 R 9.03 4.86 0.00 1.87 2.16 0.00 2.80 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 58 Q 8.62 4.78 0.00 1.91 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.73 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 59 G 8.57 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 0.00 0.00 0.00 0.00 60 F 8.70 5.72 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 61 V 9.24 4.97 2.04 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 0.95 0.00 0.00 1.14 0.00 0.00 62 P 0.00 3.52 0.00 0.86 0.96 0.00 3.19 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.04 0.00 63 A 7.58 2.78 -0.74 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 0.00 0.00 64 A 7.06 3.85 0.73 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 0.00 0.00 0.00 0.00 0.00 0.00 65 Y 7.45 5.13 0.00 2.78 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 66 V 7.62 5.05 2.25 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 0.70 0.00 0.00 0.96 0.00 0.00 67 K 9.01 5.06 0.00 1.90 1.67 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.51 7.81 68 K 9.00 4.31 0.00 1.42 1.72 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.26 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.40 1.27 7.81 69 L 8.30 4.64 0.00 1.63 1.65 0.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 70 D 8.17 4.51 0.00 2.73 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