NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3458 8.1633 120.5964 55.2362 34.2075 174.2380 2 E 4.0642 8.7033 126.1988 55.6196 30.3624 173.9160 3 A 4.6468 9.0066 127.6340 50.2823 22.0654 175.4379 4 I 4.8825 8.0118 120.9452 59.1654 41.2862 174.7390 5 A 4.3864 8.6217 130.2984 52.2503 18.5591 178.0777 6 K 3.9785 9.0418 122.8402 57.9523 33.0457 176.5966 7 Y 4.9161 7.8433 115.3426 55.9053 42.1121 173.7004 8 D 4.9841 8.8832 121.1835 53.1178 40.7239 175.6845 9 F 4.6613 8.9463 124.7986 56.0881 42.9467 172.7356 10 K 4.3996 7.4300 126.6296 53.9559 33.5153 175.5340 11 A 4.1907 7.7885 129.5675 52.8069 18.6803 177.1657 12 T 4.2703 8.4986 107.5247 61.6264 70.4223 173.8780 13 A 4.5987 7.3429 123.7907 50.6917 22.2731 176.2300 14 D 4.4065 8.5689 118.7113 56.9711 41.6122 176.9604 15 D 4.6521 8.1204 117.8769 54.7909 40.1988 175.5925 16 E 5.5232 7.6184 119.2265 54.9453 31.4720 175.2953 17 L 5.0041 8.3259 120.4724 54.2772 43.8401 176.2840 18 S 4.8317 8.7057 116.1041 58.4760 64.3474 173.3275 19 F 5.1851 8.6039 114.9426 56.1620 41.4434 173.0299 20 K 4.8282 9.1234 119.6642 54.3935 34.8867 174.2465 21 R 4.4072 8.9552 125.2135 59.4162 29.8559 174.8300 22 G 3.8406 8.3491 112.6972 44.9182 0.0000 172.0428 23 D 4.6467 8.5444 120.9110 54.1007 42.4044 175.4906 24 I 4.5884 8.2413 122.1592 60.0835 38.0659 175.3227 25 L 4.8400 8.6672 127.4516 52.9784 45.0468 175.7524 26 K 4.4048 8.3945 120.7671 54.7455 35.0015 175.4393 27 V 3.9454 8.2066 129.1444 62.1650 30.9802 175.1478 28 L 4.3491 8.5193 130.9240 57.0109 43.2774 175.7301 29 N 5.1231 7.8255 115.5173 52.4909 43.1485 173.7171 30 E 5.0198 8.5075 115.5984 56.5565 31.1101 176.1109 31 E 4.8155 8.8952 121.9586 55.1948 29.6307 175.7718 32 C 4.7780 7.7461 117.1464 61.6037 36.6903 173.8771 33 D 4.6311 8.3953 119.2946 54.6329 42.3812 177.5072 34 Q 4.7679 8.2095 124.3600 54.5573 28.7328 174.7542 35 N 4.5416 7.2287 114.4612 53.3475 45.7800 176.1512 36 W 5.3632 7.8302 117.4186 55.0973 32.8564 174.4056 37 Y 4.9869 9.0344 122.5208 56.5042 40.3455 175.1428 38 K 4.6849 8.8458 124.7129 55.1386 32.6037 174.9406 39 A 5.3021 8.3831 129.5606 49.7648 22.7273 174.1661 40 E 5.0811 8.4327 116.2030 54.9100 33.2179 175.6736 41 L 4.4921 9.2495 123.8051 55.0796 46.2444 174.5133 42 N 4.2289 9.7493 119.2767 54.8390 37.2710 174.7113 43 G 3.9379 8.5604 100.7840 45.6260 0.0000 173.3943 44 K 4.9476 8.0447 118.5147 54.3823 37.0520 174.7651 45 D 5.0741 8.2887 119.6164 52.2189 42.6303 174.7581 46 G 3.9684 8.3315 107.3309 45.7513 0.0000 172.0339 47 F 5.4018 8.6364 119.0758 57.3092 40.3296 175.4737 48 I 5.2662 9.1991 115.6549 58.5210 41.2383 172.9784 49 P 3.5369 0.0000 0.0000 62.1073 31.6006 177.6255 50 K 3.9798 7.9830 120.8026 58.8158 32.1355 178.7276 51 N 4.5456 7.8117 114.6506 54.5416 37.8492 175.1861 52 Y 4.4312 7.8141 116.4613 58.3391 38.5280 174.3745 53 I 5.1031 7.3541 118.2658 59.0885 41.4791 173.8549 54 E 4.5894 9.0223 127.6093 54.8269 31.0789 174.7719 55 M 4.3246 8.6091 126.8261 55.0193 33.7483 177.3648 56 K 4.6476 8.3444 121.6061 54.4580 35.2501 174.6111 57 P 4.3109 0.0000 0.0000 62.7428 31.1891 177.1938 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 8.16 4.35 0.00 1.91 1.87 0.00 0.00 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.31 0.00 2 E 8.70 4.06 0.00 2.11 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 3 A 9.01 4.65 1.09 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 0.00 0.00 4 I 8.01 4.88 1.94 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.73 0.86 0.00 0.00 5 A 8.62 4.39 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.04 3.98 0.00 1.62 1.05 0.00 1.47 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.29 1.33 7.81 7 Y 7.84 4.92 0.00 2.94 2.85 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 0.00 0.00 0.00 8 D 8.88 4.98 0.00 2.76 2.80 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 9 F 8.95 4.66 0.00 2.51 1.45 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 10 K 7.43 4.40 0.00 1.50 1.29 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.78 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.14 1.25 7.81 11 A 7.79 4.19 1.31 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 0.00 0.00 12 T 8.50 4.27 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 1.29 0.00 0.00 13 A 7.34 4.60 1.23 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 0.00 0.00 0.00 14 D 8.57 4.41 0.00 2.63 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 D 8.12 4.65 0.00 3.24 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 16 E 7.62 5.52 0.00 2.09 2.14 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 2.73 2.30 0.00 17 L 8.33 5.00 0.00 1.67 1.66 1.08 0.94 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 18 S 8.71 4.83 0.00 3.79 3.77 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 19 F 8.60 5.19 0.00 3.18 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.12 4.83 0.00 2.02 1.81 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.41 1.42 7.81 21 R 8.96 4.41 0.00 1.97 2.00 0.00 3.39 0.00 0.00 3.21 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 22 G 8.35 3.84 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 0.00 0.00 0.00 23 D 8.54 4.65 0.00 2.79 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.24 4.59 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.54 0.88 0.00 0.00 25 L 8.67 4.84 0.00 1.57 1.47 0.88 0.30 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 26 K 8.39 4.40 0.00 1.70 1.59 0.00 1.60 0.00 0.00 1.72 0.00 0.00 2.75 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.27 1.31 7.81 27 V 8.21 3.95 2.06 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 0.67 0.00 0.00 0.72 0.00 0.00 28 L 8.52 4.35 0.00 1.64 1.77 0.90 0.93 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 29 N 7.83 5.12 0.00 2.82 2.59 0.00 0.00 6.74 9.28 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 30 E 8.51 5.02 0.00 2.30 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 0.00 2.11 2.25 0.00 31 E 8.90 4.82 0.00 2.09 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 2.35 0.00 32 C 7.75 4.78 0.00 3.02 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 33 D 8.40 4.63 0.00 3.16 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 34 Q 8.21 4.77 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.87 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 35 N 7.23 4.54 0.00 2.70 2.56 0.00 0.00 6.82 7.70 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 36 W 7.83 5.36 0.00 3.26 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 9.03 4.99 0.00 2.95 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.85 4.68 0.00 1.55 1.72 0.00 1.29 0.00 0.00 1.55 0.00 0.00 2.85 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.12 0.71 7.81 39 A 8.38 5.30 1.22 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 0.00 0.00 0.00 40 E 8.43 5.08 0.00 2.00 1.72 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 2.18 2.41 0.00 41 L 9.25 4.49 0.00 1.77 1.55 1.18 0.42 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 42 N 9.75 4.23 0.00 2.86 2.88 0.00 0.00 7.12 8.01 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 43 G 8.56 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 44 K 8.04 4.95 0.00 1.85 1.69 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.54 7.81 45 D 8.29 5.07 0.00 2.68 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.33 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 F 8.64 5.40 0.00 3.18 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 48 I 9.20 5.27 2.04 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.90 1.33 0.00 0.00 49 P 0.00 3.54 0.00 1.77 0.98 0.00 3.51 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.61 0.00 50 K 7.98 3.98 0.00 1.63 1.77 0.00 1.05 0.00 0.00 1.17 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.30 0.81 7.81 51 N 7.81 4.55 0.00 2.74 2.87 0.00 0.00 6.00 7.61 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 52 Y 7.81 4.43 0.00 3.01 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 53 I 7.35 5.10 1.76 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.00 0.90 0.00 0.00 54 E 9.02 4.59 0.00 2.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.24 0.00 55 M 8.61 4.32 0.00 1.87 1.98 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.63 0.00 56 K 8.34 4.65 0.00 1.68 1.64 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.49 7.81 57 P 0.00 4.31 0.00 2.13 1.97 0.00 3.76 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 1.96 1.93 0.00