NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.6731 8.3249 119.4852 57.3704 40.3917 173.8651 2 E 4.5423 8.4288 121.5387 53.4147 32.5365 174.3987 3 N 4.5463 9.5208 121.6800 53.8919 39.5876 174.2975 4 R 4.6210 8.4132 124.1238 56.0176 31.1164 178.3231 5 V 3.6164 8.4091 120.9547 66.1958 31.3401 177.8454 6 A 4.3582 7.9859 121.2407 54.6437 18.1482 179.3645 7 E 3.9246 8.1105 116.5459 59.6104 29.6715 179.5754 8 K 4.1790 7.9865 118.4013 59.4511 31.6072 179.5370 9 Q 4.1095 8.6649 119.0482 58.6462 28.4852 178.5854 10 K 3.9304 8.0515 120.6577 59.4457 32.4180 178.4733 11 L 3.7841 7.7665 120.5054 58.1518 41.8040 178.3582 12 F 4.5599 8.0915 114.1640 58.3910 39.2332 176.5588 13 Q 4.6629 7.5388 116.4992 54.1365 29.6233 175.1161 14 E 3.9075 7.2081 121.0666 56.4301 29.9486 177.4241 15 D 4.6638 8.5401 127.2654 53.6875 39.0392 174.7838 16 N 4.7705 8.0550 115.5902 51.2840 38.2639 176.3822 17 G 3.8975 8.2060 105.4863 46.1510 0.0000 173.8909 18 L 4.2511 7.9871 120.0600 53.0701 42.5364 175.3292 19 P 4.4671 0.0000 0.0000 62.1954 31.8471 177.4642 20 V 3.6934 8.6736 120.2896 65.4261 30.9779 177.4646 21 H 4.5512 8.2250 112.9131 56.6297 28.5861 175.2837 22 L 4.7394 8.1915 119.2445 54.1631 43.1521 177.7560 23 K 4.1116 7.9278 119.4283 58.0182 32.3225 177.9778 24 G 3.6257 8.8067 107.7039 47.6402 0.0000 173.8894 25 G 3.6927 7.4040 105.4236 44.1518 0.0000 173.3848 26 A 4.0369 8.6101 120.8338 55.6652 18.0766 180.2099 27 T 3.9020 7.8964 113.8725 66.7502 68.4534 176.3344 28 D 4.4263 8.0146 120.5773 57.4344 40.7834 178.5000 29 N 4.3962 8.1823 116.3407 56.4543 38.5346 177.2748 30 I 3.7142 7.6512 120.5015 64.4299 37.1875 178.1968 31 L 3.9499 8.2525 121.4121 58.2795 41.8193 178.3929 32 Y 4.0557 8.4026 119.6069 60.9457 38.8250 178.3074 33 R 3.7165 8.3609 119.1209 58.9764 30.0961 179.3722 34 V 3.5050 8.0406 118.3898 66.1721 31.5610 178.1303 35 T 3.7869 7.9860 115.7041 67.0108 68.2715 176.2896 36 M 3.8813 7.9662 120.2868 58.7606 32.0400 178.4195 37 T 3.8029 7.7513 115.9310 66.6232 68.5693 176.6980 38 L 3.9678 7.9466 120.8629 57.8302 41.6099 179.4275 39 C 4.1260 8.1735 116.6296 62.9822 28.1464 176.2586 40 L 4.1461 8.2461 120.9278 57.5889 41.1108 179.8803 41 G 3.6861 8.4919 106.2199 47.8349 0.0000 176.0779 42 G 3.7290 8.4680 108.8020 47.7356 0.0000 176.0036 43 T 4.0577 7.9281 119.3356 65.8746 68.4989 176.8695 44 L 4.0662 8.1622 121.0351 58.0318 41.6246 178.9412 45 Y 4.4603 8.4815 120.0091 60.8120 38.3371 178.2925 46 S 3.9153 8.2947 115.3106 61.2593 63.0363 176.5250 47 L 4.0528 8.0897 122.6513 57.6811 41.3879 178.7414 48 Y 4.1800 8.2122 119.4700 61.0407 38.6783 177.9791 49 C 3.8482 8.0169 117.6886 62.4850 28.1447 175.8943 50 L 4.0164 8.1355 122.2289 58.0968 41.4819 179.2330 51 G 3.7249 8.0108 104.6486 47.4990 0.0000 175.2282 52 W 4.2139 8.0751 130.3932 60.2835 30.5893 178.0792 53 A 3.8283 8.2821 119.1617 54.6197 17.8641 179.4093 54 S 3.9200 7.9673 113.0320 59.5167 63.1833 174.3338 55 F 4.6802 6.8275 119.9650 54.2969 41.0874 173.7279 56 P 4.2836 0.0000 0.0000 63.2346 31.7523 175.8552 57 H 4.6615 8.1443 116.7688 57.9145 29.7069 174.2620 58 K 4.3894 8.0185 124.0657 56.9679 31.9662 174.6660 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 F 8.32 4.67 0.00 2.92 3.11 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 0.00 0.00 0.00 0.00 2 E 8.43 4.54 0.00 2.01 1.84 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 2.22 2.37 0.00 3 N 9.52 4.55 0.00 2.71 2.78 0.00 0.00 6.88 7.65 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 4 R 8.41 4.62 0.00 1.89 1.90 0.00 3.56 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.55 0.00 5 V 8.41 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 1.07 0.00 0.00 0.99 0.00 0.00 6 A 7.99 4.36 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 7 E 8.11 3.92 0.00 2.19 2.02 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 0.00 2.41 2.42 0.00 8 K 7.99 4.18 0.00 1.99 2.08 0.00 1.91 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.69 1.74 7.81 9 Q 8.66 4.11 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.63 0.00 10 K 8.05 3.93 0.00 1.99 1.94 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.45 7.81 11 L 7.77 3.78 0.00 1.66 1.60 0.65 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.09 4.56 0.00 3.20 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 13 Q 7.54 4.66 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 14 E 7.21 3.91 0.00 2.14 1.88 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 2.29 2.22 0.00 15 D 8.54 4.66 0.00 2.68 2.58 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 0.00 0.00 0.00 16 N 8.06 4.77 0.00 2.78 2.82 0.00 0.00 6.33 7.00 0.00 0.00 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 G 8.21 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 18 L 7.99 4.25 0.00 1.75 1.57 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.47 0.00 2.23 2.17 0.00 3.65 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.84 0.00 20 V 8.67 3.69 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 0.85 0.00 0.00 0.91 0.00 0.00 21 H 8.23 4.55 0.00 3.32 3.46 0.00 5.47 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.19 4.74 0.00 1.50 1.56 0.66 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.93 4.11 0.00 2.00 2.14 0.00 2.06 0.00 0.00 1.97 0.00 0.00 2.99 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.38 1.36 7.81 24 G 8.81 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.40 3.69 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 0.00 26 A 8.61 4.04 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 27 T 7.90 3.90 4.27 0.00 0.00 0.00 0.00 0.00 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 28 D 8.01 4.43 0.00 2.87 2.96 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 29 N 8.18 4.40 0.00 3.01 2.93 0.00 0.00 7.12 7.27 0.00 0.00 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 7.65 3.71 2.05 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 1.43 0.90 0.93 0.00 0.00 31 L 8.25 3.95 0.00 1.91 1.74 0.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.40 4.06 0.00 3.19 3.28 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 33 R 8.36 3.72 0.00 2.10 1.96 0.00 3.29 0.00 0.00 3.29 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.01 0.00 34 V 8.04 3.51 2.24 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 1.01 0.00 0.00 0.95 0.00 0.00 35 T 7.99 3.79 4.26 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 1.18 0.00 0.00 36 M 7.97 3.88 0.00 1.66 1.41 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 37 T 7.75 3.80 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 1.18 0.00 0.00 38 L 7.95 3.97 0.00 1.82 1.70 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 39 C 8.17 4.13 0.00 3.08 2.96 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 40 L 8.25 4.15 0.00 1.66 1.71 0.91 1.18 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 41 G 8.49 3.69 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 0.00 42 G 8.47 3.73 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 0.00 43 T 7.93 4.06 4.41 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 1.24 0.00 0.00 44 L 8.16 4.07 0.00 1.94 1.79 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 8.48 4.46 0.00 3.07 3.19 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 46 S 8.29 3.92 0.00 4.05 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 47 L 8.09 4.05 0.00 2.01 1.82 0.96 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.21 4.18 0.00 3.18 3.27 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.02 3.85 0.00 2.96 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 50 L 8.14 4.02 0.00 1.77 1.88 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.01 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 52 W 8.08 4.21 0.00 2.97 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 53 A 8.28 3.83 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 7.97 3.92 0.00 3.84 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 55 F 6.83 4.68 0.00 2.78 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.28 0.00 2.10 1.96 0.00 3.81 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 57 H 8.14 4.66 0.00 3.01 3.29 0.00 5.95 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.02 4.39 0.00 1.81 1.94 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.36 7.81