NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.2317 8.1693 120.6227 53.6098 43.0123 175.9117 2 P 4.2780 0.0000 0.0000 62.3385 31.8136 174.7011 3 A 4.3772 8.2626 121.0437 53.1368 20.2492 178.8491 4 S 4.8592 7.7325 108.5589 56.6333 66.1948 173.0958 5 F 4.8656 8.4264 122.2610 56.9324 42.4493 173.4410 6 D 4.3726 7.4059 124.9978 51.5424 43.5581 175.8120 7 A 3.9876 8.5308 129.0127 54.7033 18.2329 178.7848 8 R 4.1260 8.3448 115.9030 58.1099 30.2332 178.3091 9 E 4.1499 7.5723 118.0444 58.9351 30.0464 178.0378 10 Q 3.7750 7.5288 117.4326 57.4577 30.6765 176.2564 11 W 5.3776 8.0471 117.6961 53.5713 29.1977 173.8119 12 P 4.7223 0.0000 0.0000 62.9859 31.8225 177.6745 13 Q 4.2471 8.0598 117.0035 57.4740 29.4642 175.8500 14 C 5.0155 7.8558 117.4864 54.1921 38.3812 172.4100 15 P 4.1266 0.0000 0.0000 65.1803 31.6055 179.0083 16 T 4.1102 7.8365 108.0099 64.0787 69.1790 176.7591 17 I 4.0755 7.8641 122.3242 63.1568 37.1336 176.7817 18 K 4.3356 7.5282 116.2891 56.5228 32.8267 175.8184 19 E 4.3268 8.2994 121.8867 55.3275 30.4079 175.2197 20 I 4.2659 8.2078 126.8643 59.9437 38.2405 175.9545 21 R 4.4013 8.3594 124.7917 54.9528 31.7197 174.9198 22 D 4.6266 8.2194 117.8272 52.5750 42.7627 175.3135 23 Q 3.2224 8.4123 124.1048 55.6350 29.7685 177.9159 24 G 3.6453 7.5168 107.6246 47.0864 0.0000 174.6015 25 S 4.4791 8.3338 110.8700 56.3146 61.5055 172.9678 26 C 4.5830 7.3527 118.5264 58.4276 35.2543 174.6006 27 G 4.0180 8.6314 118.6572 45.0530 0.0000 174.3616 28 S 4.3662 7.7669 112.7044 58.8574 64.1490 175.2305 29 C 4.0075 8.3012 119.3102 61.7915 28.5359 175.7997 30 W 4.2582 8.4325 118.1574 59.3914 27.4535 177.8590 31 A 3.3532 7.4966 121.4240 54.0590 17.9508 179.5742 32 F 3.5610 7.8650 115.9371 60.5285 39.1301 177.4324 33 G 3.8362 8.2715 105.0529 48.2130 0.0000 174.7940 34 A 3.9837 7.5328 123.1787 55.3025 18.3247 180.2780 35 V 3.5812 8.0546 110.3189 64.0302 31.6399 178.9553 36 E 3.9098 8.3577 118.7114 59.2860 29.3920 179.0831 37 A 4.0086 8.0768 120.8211 55.1781 18.3362 179.8046 38 I 3.6786 7.7400 118.4440 64.4410 36.9843 178.8641 39 S 4.0807 8.2151 116.4446 61.4869 62.1515 176.0527 40 D 4.3017 7.9105 121.4762 57.8579 40.6768 179.4992 41 R 3.8939 8.0265 117.7308 58.8580 29.7389 179.2717 42 I 3.6813 7.2631 119.1800 64.2471 37.3530 177.0387 43 C 4.4097 7.7316 118.7922 59.2085 43.3465 175.6827 44 I 3.2967 7.5556 120.6791 64.2145 36.6641 176.4844 45 H 4.5185 8.1052 114.7060 55.6572 28.5976 175.0204 46 T 4.1473 7.6753 116.0416 60.7888 66.6589 174.2459 47 N 4.5045 8.7749 125.6967 53.3010 37.1061 174.8196 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 L 8.17 4.23 0.00 1.61 1.60 0.88 0.61 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 2 P 0.00 4.28 0.00 2.51 2.09 0.00 3.63 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.05 0.00 3 A 8.26 4.38 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 4 S 7.73 4.86 0.00 3.96 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 5 F 8.43 4.87 0.00 2.84 2.90 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 6 D 7.41 4.37 0.00 2.53 2.35 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 7 A 8.53 3.99 1.66 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 0.00 0.00 8 R 8.34 4.13 0.00 1.84 2.00 0.00 3.16 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 9 E 7.57 4.15 0.00 1.87 1.77 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 2.20 2.26 0.00 10 Q 7.53 3.77 0.00 1.20 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.36 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 11 W 8.05 5.38 0.00 3.64 2.90 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 12 P 0.00 4.72 0.00 2.18 2.14 0.00 3.79 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 1.98 1.92 0.00 13 Q 8.06 4.25 0.00 2.27 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.93 0.00 0.00 0.00 0.00 0.00 2.48 2.40 0.00 14 C 7.86 5.02 0.00 3.21 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.13 0.00 2.18 2.12 0.00 3.60 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 16 T 7.84 4.11 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 17 I 7.86 4.08 1.93 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.34 0.95 0.00 0.00 18 K 7.53 4.34 0.00 1.95 1.92 0.00 1.57 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.46 7.81 19 E 8.30 4.33 0.00 1.91 2.00 0.00 0.00 0.00 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 2.28 0.00 20 I 8.21 4.27 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.99 0.90 0.00 0.00 21 R 8.36 4.40 0.00 2.12 2.15 0.00 3.51 0.00 0.00 3.38 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 22 D 8.22 4.63 0.00 2.52 2.45 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 23 Q 8.41 3.22 0.00 1.81 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.76 0.00 0.00 0.00 0.00 0.00 2.08 2.19 0.00 24 G 7.52 3.65 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 0.00 0.00 0.00 25 S 8.33 4.48 0.00 3.87 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 26 C 7.35 4.58 0.00 2.91 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 27 G 8.63 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 28 S 7.77 4.37 0.00 4.16 4.16 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 29 C 8.30 4.01 0.00 3.22 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.43 4.26 0.00 3.65 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 A 7.50 3.35 0.45 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 0.00 0.00 32 F 7.86 3.56 0.00 3.13 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 33 G 8.27 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 34 A 7.53 3.98 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 35 V 8.05 3.58 1.78 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 0.63 0.00 0.00 0.64 0.00 0.00 36 E 8.36 3.91 0.00 2.24 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 37 A 8.08 4.01 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 38 I 7.74 3.68 2.00 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 1.48 1.32 0.86 0.00 0.00 39 S 8.22 4.08 0.00 3.93 3.87 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.91 4.30 0.00 2.80 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 41 R 8.03 3.89 0.00 1.76 1.80 0.00 3.05 0.00 0.00 3.05 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.76 0.00 42 I 7.26 3.68 1.99 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 1.36 0.52 0.88 0.00 0.00 43 C 7.73 4.41 0.00 3.07 3.17 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 0.00 0.00 0.00 0.00 44 I 7.56 3.30 1.53 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.22 0.26 0.00 0.00 45 H 8.11 4.52 0.00 3.15 3.32 0.00 5.84 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 T 7.68 4.15 4.53 0.00 0.00 0.00 0.00 0.00 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 47 N 8.77 4.50 0.00 2.88 2.82 0.00 0.00 6.13 7.56 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