NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 R 4.2600 8.2549 119.6966 54.8261 31.9776 175.6585 4 P 4.1743 0.0000 0.0000 62.4661 32.2792 176.5152 5 S 4.2091 8.6848 118.3068 61.6495 63.5808 176.7194 6 L 4.0353 7.9825 122.0996 59.1315 39.8027 179.9444 7 C 4.5770 8.1903 116.3265 59.2215 40.1721 174.6503 8 D 4.5960 7.8598 118.1639 53.4558 41.2795 176.6136 9 L 4.3347 7.1772 120.4909 53.2501 42.5354 175.1270 10 P 4.3935 0.0000 0.0000 61.9380 32.1969 175.9635 11 A 3.4186 7.8396 122.5479 51.9229 18.5861 176.8632 12 D 4.6856 7.9484 120.9676 52.2918 43.4629 175.6429 13 S 4.7677 8.2838 123.2639 59.6416 63.2532 175.2726 14 G 3.9460 8.5687 107.1253 44.6286 0.0000 173.6694 15 S 4.6452 8.3318 114.8209 57.9198 63.2128 174.4794 16 G 3.9403 7.7642 111.0488 45.2983 0.0000 173.5770 17 T 4.3651 8.1055 107.0181 61.2620 70.1161 174.3462 18 K 4.2813 7.6687 122.0764 56.1715 34.0053 175.9372 19 A 5.0129 8.3710 122.8436 49.9913 19.0240 175.0767 20 E 4.7021 9.0167 120.4049 54.7134 33.5667 174.6468 21 K 4.8645 8.4384 119.6334 54.9713 34.5841 175.9902 22 R 4.8163 8.5539 122.0315 54.8381 35.4756 173.6891 23 I 5.5148 9.1129 120.8494 60.1672 40.3304 174.7829 24 Y 5.4168 9.0876 122.6607 55.7546 42.1138 173.0574 25 Y 4.4014 9.8268 122.9638 56.8593 40.5094 173.7505 26 N 4.7794 7.7621 126.7251 51.8783 39.2219 175.6620 27 S 3.7567 8.3980 121.5280 60.2722 63.7725 175.8509 28 A 4.0612 7.9834 123.8388 55.2081 18.2783 178.6679 29 R 4.0719 8.2301 112.2796 56.1262 30.8411 176.5619 30 K 3.8891 7.8229 116.3660 55.4462 30.2314 175.1103 31 Q 4.6373 6.8638 114.2094 54.9250 32.4515 175.2284 32 C 4.6503 8.8186 119.9884 57.0094 39.3218 172.8361 33 L 4.8013 8.1918 123.7873 52.6418 45.1928 175.5707 34 R 5.2919 8.5527 120.5477 55.9963 31.4878 174.9877 35 F 5.1292 9.2997 119.1377 55.7805 42.2873 172.6017 36 D 5.0464 8.8255 119.2822 53.8148 42.1020 174.9882 37 Y 5.0888 8.3038 124.9046 55.8647 42.0133 175.6684 38 T 4.6419 8.2535 115.5795 60.7229 69.9849 176.2447 39 G 3.7004 7.5373 109.5056 45.3761 0.0000 173.0983 40 Q 4.5027 6.8650 118.4639 55.7985 32.4180 175.0701 41 G 4.0012 9.0321 111.1392 47.3482 0.0000 172.7967 42 G 3.9451 9.1755 109.0148 45.2967 0.0000 170.4179 43 N 5.0120 8.1568 117.2007 51.3494 40.4664 173.9790 44 E 3.9151 8.5804 116.1524 58.3716 30.0484 177.5591 45 N 4.5905 7.8260 119.8947 51.2195 37.3049 173.9640 46 N 5.0507 6.9783 116.4070 52.7929 41.5620 173.1735 47 F 5.0199 9.6365 124.9200 55.7347 42.3598 176.7858 48 R 4.1843 8.7872 122.1533 57.8463 30.8421 177.2468 49 R 4.7502 7.8421 116.4818 54.0335 33.2194 176.3700 50 T 3.8643 8.8130 119.3334 67.2425 68.5214 176.0372 51 Y 3.7485 8.0068 120.5770 60.4502 38.3238 177.4936 52 D 4.3442 8.0446 119.8122 57.2901 40.8562 177.8463 53 C 2.4500 7.4439 118.4800 58.9404 43.8952 175.4736 54 Q 3.6141 7.4913 119.7104 58.5371 28.0394 178.4290 55 R 3.9704 7.2050 114.7700 58.0231 29.8948 178.2968 56 T 4.1168 7.0557 115.3294 65.6743 68.9272 175.2504 57 C 4.4483 7.8074 115.0693 56.3024 41.3467 173.9661 58 L 4.1734 7.4984 125.5429 54.6697 41.7770 176.1058 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 3 R 8.25 4.26 0.00 1.80 2.01 0.00 3.18 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 4 P 0.00 4.17 0.00 2.26 1.99 0.00 3.60 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 2.21 2.15 0.00 5 S 8.68 4.21 0.00 3.86 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 6 L 7.98 4.04 0.00 1.89 1.92 1.07 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 7 C 8.19 4.58 0.00 3.10 3.21 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 0.00 8 D 7.86 4.60 0.00 2.82 2.73 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 9 L 7.18 4.33 0.00 1.75 1.58 0.91 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.39 0.00 2.09 2.00 0.00 3.75 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 11 A 7.84 3.42 -0.01 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 0.00 0.00 0.00 0.00 0.00 12 D 7.95 4.69 0.00 2.55 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 13 S 8.28 4.77 0.00 4.02 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 14 G 8.57 3.95 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 0.00 15 S 8.33 4.65 0.00 3.94 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 16 G 7.76 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 17 T 8.11 4.37 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 18 K 7.67 4.28 0.00 1.70 1.70 0.00 1.53 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.32 7.81 19 A 8.37 5.01 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 20 E 9.02 4.70 0.00 2.05 1.85 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 2.20 2.19 0.00 21 K 8.44 4.86 0.00 1.60 1.70 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.38 7.81 22 R 8.55 4.82 0.00 0.86 1.77 0.00 3.44 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.64 0.00 23 I 9.11 5.51 2.07 0.00 0.00 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 1.41 1.25 0.93 0.00 0.00 24 Y 9.09 5.42 0.00 2.99 2.66 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 0.00 0.00 0.00 25 Y 9.83 4.40 0.00 2.96 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 26 N 7.76 4.78 0.00 2.46 2.46 0.00 0.00 6.53 7.74 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 27 S 8.40 3.76 0.00 4.06 4.11 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 28 A 7.98 4.06 1.28 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 0.00 0.00 29 R 8.23 4.07 0.00 1.66 2.05 0.00 3.30 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 30 K 7.82 3.89 0.00 1.87 1.94 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.29 7.81 31 Q 6.86 4.64 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.10 0.00 0.00 0.00 0.00 0.00 2.17 2.27 0.00 32 C 8.82 4.65 0.00 2.79 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 33 L 8.19 4.80 0.00 1.27 1.58 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.55 5.29 0.00 1.91 1.93 0.00 3.29 0.00 0.00 3.32 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 35 F 9.30 5.13 0.00 3.10 3.07 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 36 D 8.83 5.05 0.00 2.68 2.63 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 37 Y 8.30 5.09 0.00 2.31 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 38 T 8.25 4.64 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 1.22 0.00 0.00 39 G 7.54 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 40 Q 6.86 4.50 0.00 1.98 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.55 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 41 G 9.03 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 42 G 9.18 3.95 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 0.00 43 N 8.16 5.01 0.00 2.72 2.77 0.00 0.00 5.90 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 44 E 8.58 3.92 0.00 1.91 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 2.26 2.18 0.00 45 N 7.83 4.59 0.00 2.98 2.87 0.00 0.00 6.86 7.80 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 46 N 6.98 5.05 0.00 2.64 2.50 0.00 0.00 7.09 7.02 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 47 F 9.64 5.02 0.00 3.09 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.79 4.18 0.00 1.88 2.04 0.00 3.19 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 49 R 7.84 4.75 0.00 2.09 1.87 0.00 3.19 0.00 0.00 3.40 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 50 T 8.81 3.86 4.29 0.00 0.00 0.00 0.00 0.00 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 51 Y 8.01 3.75 0.00 3.10 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 52 D 8.04 4.34 0.00 3.07 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 53 C 7.44 2.45 0.00 1.88 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 54 Q 7.49 3.61 0.00 1.70 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.60 0.00 0.00 0.00 0.00 0.00 2.21 2.37 0.00 55 R 7.21 3.97 0.00 1.89 1.81 0.00 3.08 0.00 0.00 3.31 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 56 T 7.06 4.12 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 1.37 0.00 0.00 57 C 7.81 4.45 0.00 2.14 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.50 4.17 0.00 1.68 1.40 0.88 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00