NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4629 8.3001 118.7933 54.6675 33.0197 174.2626 1 A 4.5312 8.2093 115.8924 52.3873 20.6893 174.8222 2 Q 4.1834 8.4693 119.6861 56.1187 30.7731 173.7394 3 A 4.8627 8.6025 127.3211 50.8896 21.7576 175.8010 4 S 5.1082 8.9121 115.7651 56.2409 67.5802 173.4548 5 V 4.3723 8.4764 121.6765 62.9660 32.2047 175.3264 6 V 4.9547 8.6374 120.3607 59.0297 36.0107 174.8938 7 A 4.4466 8.7697 126.2086 52.4384 18.7623 177.7253 8 N 4.7051 9.2649 122.0040 54.5993 39.6342 174.1368 9 Q 4.6226 7.5598 114.1720 55.2489 31.9486 173.6530 10 L 4.2283 8.4641 122.1902 55.2806 43.0272 175.9268 11 I 4.3917 8.8214 127.8019 58.8832 39.0352 173.6778 12 P 4.6249 0.0000 0.0000 61.9316 32.6662 176.1459 13 I 3.8124 8.2967 121.8767 62.8871 38.2409 175.2867 14 N 4.3843 8.4609 122.2340 54.5572 36.8351 174.3522 15 T 4.3517 7.4797 114.5774 63.3544 70.1021 173.9516 16 M 4.7793 8.4609 124.8382 54.7737 32.9752 176.3428 17 L 4.3367 9.0596 124.8248 55.0443 43.3704 176.2579 18 T 4.9519 8.2382 111.5106 59.5083 72.4237 174.8719 19 L 4.0493 8.5650 121.5834 57.7464 41.8190 180.2369 20 V 3.7331 7.7180 116.8704 64.3694 31.6766 176.8847 21 M 4.2324 8.0125 119.3669 56.6072 32.2425 175.2044 22 M 5.2576 7.8154 118.4659 53.3630 34.7882 175.3881 23 R 4.6644 8.9305 120.1751 54.4122 33.3942 174.3338 24 S 5.2634 8.4326 113.3547 56.6352 64.3558 172.7996 25 E 4.7142 8.9783 125.1334 54.9534 34.5466 174.8958 26 V 4.3689 8.3795 122.8639 62.1688 31.5207 175.3597 27 V 4.6216 8.2570 120.2739 59.4449 35.3394 175.3539 28 T 4.6526 8.0441 110.4162 58.8780 71.3023 172.2704 29 P 4.4448 0.0000 0.0000 62.7174 32.0580 176.1246 30 V 4.0519 8.1218 112.7006 61.0016 33.0624 176.8595 31 G 4.3654 8.2905 111.5972 45.4159 0.0000 172.9085 32 I 3.9205 8.4299 123.5418 60.9580 38.3907 174.3900 33 P 4.7094 0.0000 0.0000 62.3507 32.0563 177.3957 34 A 3.9685 8.9048 125.7344 55.4885 17.9878 180.0708 35 E 4.0487 8.1610 115.5804 59.0647 29.8513 178.0211 36 D 4.6879 8.2726 117.6609 54.5834 41.1132 178.0021 37 I 3.6834 7.6667 122.4961 64.0048 37.0064 176.2437 38 P 4.3193 0.0000 0.0000 65.6350 31.1048 177.4678 39 R 4.1965 7.8532 116.6895 57.8656 30.5321 177.4957 40 L 4.2518 7.8770 117.7628 56.2258 42.1015 177.2740 41 V 3.9873 7.5724 118.5880 64.2755 31.7704 176.1507 42 S 4.1234 8.9190 121.9329 58.9135 61.5057 169.8837 43 M 4.4865 7.8796 120.5955 54.7113 33.7894 174.8295 44 Q 5.0588 8.4635 121.9735 54.8322 31.6660 174.9754 45 V 4.5904 8.3152 119.0896 60.6816 33.5220 176.1553 46 N 5.0787 9.1496 120.5323 52.7852 38.4797 174.0104 47 R 4.9092 7.5782 114.4161 54.7251 32.9418 174.3345 48 A 4.3383 8.5444 121.6653 52.0526 19.4264 177.3589 49 V 4.2260 8.9494 122.3137 60.2568 33.8159 173.4112 50 P 4.6500 0.0000 0.0000 61.8580 32.7826 175.9331 51 L 4.0127 8.4453 123.1705 57.2118 42.1053 177.7541 52 G 3.9640 9.0480 114.0810 45.5964 0.0000 173.4101 53 T 4.2509 7.7126 117.5792 63.1917 69.7937 174.3901 54 T 4.3515 8.3972 122.9655 63.4408 69.5046 173.7476 55 L 4.2156 8.9853 129.4187 54.8967 43.3373 175.7636 56 M 4.8431 8.4138 125.3032 52.6963 34.3050 174.9140 57 P 4.0663 0.0000 0.0000 65.9244 31.5583 178.1538 58 D 4.5713 8.0164 114.5488 55.0522 39.7874 176.5362 59 M 4.6296 8.1132 118.9999 55.0119 32.3171 175.5039 60 V 4.6905 7.2290 119.3366 60.4412 33.3928 174.7868 61 K 4.2673 9.0701 128.1133 57.6306 32.2576 177.7016 62 G 3.9599 9.0024 111.8694 45.4060 0.0000 172.6113 63 Y 4.2938 7.4450 119.9300 56.9577 39.5104 174.5506 64 A 4.2305 6.9346 127.5070 50.7702 22.3180 175.9630 65 A 3.8945 7.9262 124.2235 52.9973 19.0816 176.1705 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 0 M 8.30 4.46 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.12 0.00 1 A 8.21 4.53 1.27 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 0.00 0.00 2 Q 8.47 4.18 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 3 A 8.60 4.86 1.24 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 0.00 0.00 0.00 4 S 8.91 5.11 0.00 3.69 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 5 V 8.48 4.37 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 0.97 0.00 0.00 0.92 0.00 0.00 6 V 8.64 4.95 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 0.65 0.00 0.00 1.00 0.00 0.00 7 A 8.77 4.45 1.32 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 0.00 0.00 8 N 9.26 4.71 0.00 2.69 3.03 0.00 0.00 7.05 7.08 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 9 Q 7.56 4.62 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.69 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 10 L 8.46 4.23 0.00 1.67 1.61 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.82 4.39 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.72 0.90 0.00 0.00 12 P 0.00 4.62 0.00 2.07 1.96 0.00 3.61 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 13 I 8.30 3.81 1.87 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 1.41 0.83 0.91 0.00 0.00 14 N 8.46 4.38 0.00 2.93 2.91 0.00 0.00 7.03 7.97 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 15 T 7.48 4.35 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 1.21 0.00 0.00 16 M 8.46 4.78 0.00 1.91 2.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.57 0.00 17 L 9.06 4.34 0.00 1.74 1.58 0.96 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.24 4.95 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 1.21 0.00 0.00 19 L 8.56 4.05 0.00 1.73 1.76 0.92 0.78 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 20 V 7.72 3.73 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 0.77 0.00 0.00 0.93 0.00 0.00 21 M 8.01 4.23 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.50 0.00 22 M 7.82 5.26 0.00 1.85 1.94 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 2.50 2.42 0.00 23 R 8.93 4.66 0.00 1.84 2.03 0.00 2.71 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.53 0.00 24 S 8.43 5.26 0.00 3.86 3.76 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 25 E 8.98 4.71 0.00 1.92 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 2.22 2.25 0.00 26 V 8.38 4.37 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 0.86 0.00 0.00 0.98 0.00 0.00 27 V 8.26 4.62 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 0.82 0.00 0.00 0.92 0.00 0.00 28 T 8.04 4.65 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 1.21 0.00 0.00 29 P 0.00 4.44 0.00 2.19 2.10 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 30 V 8.12 4.05 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 0.71 0.00 0.00 0.93 0.00 0.00 31 G 8.29 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.43 3.92 1.70 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.44 0.76 0.00 0.00 33 P 0.00 4.71 0.00 2.11 2.08 0.00 3.87 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.12 0.00 34 A 8.90 3.97 1.32 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 0.00 0.00 35 E 8.16 4.05 0.00 1.95 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 2.33 2.47 0.00 36 D 8.27 4.69 0.00 2.99 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 37 I 7.67 3.68 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 1.57 0.71 0.91 0.00 0.00 38 P 0.00 4.32 0.00 2.18 2.20 0.00 3.82 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 39 R 7.85 4.20 0.00 2.04 2.07 0.00 3.17 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 40 L 7.88 4.25 0.00 1.88 1.71 0.86 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.57 3.99 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 0.80 0.00 0.00 0.94 0.00 0.00 42 S 8.92 4.12 0.00 4.09 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 43 M 7.88 4.49 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.52 0.00 44 Q 8.46 5.06 0.00 2.13 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.98 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 45 V 8.32 4.59 2.12 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 0.75 0.00 0.00 1.01 0.00 0.00 46 N 9.15 5.08 0.00 2.80 3.03 0.00 0.00 6.97 7.22 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 47 R 7.58 4.91 0.00 1.77 1.89 0.00 3.02 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.63 0.00 48 A 8.54 4.34 1.24 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 0.00 0.00 0.00 49 V 8.95 4.23 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 0.88 0.00 0.00 0.91 0.00 0.00 50 P 0.00 4.65 0.00 2.10 1.95 0.00 3.66 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 51 L 8.45 4.01 0.00 1.59 1.60 0.92 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 52 G 9.05 3.96 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 53 T 7.71 4.25 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 1.19 0.00 0.00 54 T 8.40 4.35 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 1.23 0.00 0.00 55 L 8.99 4.22 0.00 1.78 1.45 0.87 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 56 M 8.41 4.84 0.00 2.11 1.95 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.61 0.00 57 P 0.00 4.07 0.00 2.25 2.38 0.00 3.59 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 2.18 2.11 0.00 58 D 8.02 4.57 0.00 2.79 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 59 M 8.11 4.63 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.40 0.00 60 V 7.23 4.69 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 1.08 0.00 0.00 0.82 0.00 0.00 61 K 9.07 4.27 0.00 1.75 1.76 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.40 7.81 62 G 9.00 3.96 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 63 Y 7.44 4.29 0.00 2.91 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 64 A 6.93 4.23 1.07 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 65 A 7.93 3.89 0.91 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 0.00 0.00