NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4854 8.3349 115.3047 57.7861 63.7808 173.3109 8 D 4.7033 8.4532 124.8586 52.8188 42.1123 174.1696 9 F 5.2233 8.0365 114.6239 55.4032 42.1257 173.2927 10 V 4.4674 8.7800 118.3420 61.0227 34.8929 174.0316 11 V 4.8868 8.6967 126.6119 61.2991 33.9512 174.3514 12 I 4.9201 9.0364 128.3400 59.4052 40.6348 174.0743 13 K 5.0138 9.0909 128.9540 54.2326 34.5693 174.9520 14 A 4.4257 8.7404 130.4145 52.1862 19.0900 177.3859 15 L 4.6504 8.8693 122.6365 54.5417 42.5088 176.0327 16 E 4.6745 7.6679 115.5409 54.9295 32.1820 174.5126 17 D 4.3815 8.3472 119.5157 55.7438 41.3282 176.9127 18 G 3.8659 8.7319 109.8382 45.7202 0.0000 173.8192 19 V 3.9109 7.7671 120.2827 62.7593 32.8518 174.5311 20 N 5.3710 9.1454 125.0373 51.4317 41.5404 173.5973 21 V 4.6566 8.5672 123.6461 61.2414 33.9355 174.1463 22 I 4.7120 8.7302 129.5576 59.3493 39.9542 174.8327 23 G 4.2570 8.7786 114.5926 44.8772 0.0000 172.4033 24 L 5.5171 8.8616 125.2063 52.8757 44.1464 176.2838 25 T 4.5198 8.8466 114.4330 61.8981 69.3594 174.1493 26 R 4.3867 7.7309 125.3247 56.5171 29.7487 175.0746 27 G 3.7415 8.7405 109.3952 43.9552 0.0000 173.9723 28 A 4.1564 8.5320 121.4135 54.0890 18.6616 177.3622 29 D 4.7681 7.2911 113.8328 53.0317 42.4356 175.5452 30 T 4.7855 8.3628 122.5140 61.9120 70.9773 173.2142 31 R 4.6117 8.7738 122.1089 54.6448 33.7299 174.0885 32 F 5.3189 8.5008 118.8352 57.9577 39.0517 175.3619 33 H 5.0159 9.0537 117.9899 56.0294 30.4130 173.7423 34 H 4.7996 7.6665 117.8124 55.0334 33.3614 171.9193 35 S 4.7871 8.2356 119.2860 56.4615 64.7136 172.3749 36 E 4.4411 9.1294 129.7658 54.6861 30.9860 174.5206 37 K 4.7618 8.6205 128.8832 55.6634 33.5043 175.4159 38 L 4.9258 9.1212 127.7054 53.2343 44.4523 176.1570 39 D 4.9699 9.2654 124.0115 52.2541 43.5963 175.8730 40 K 4.2796 8.5757 121.7636 58.1440 32.3946 176.6872 41 G 4.0441 9.1573 115.5652 45.2496 0.0000 173.6808 42 E 4.2771 8.0592 119.2325 56.2203 30.8170 176.1254 43 V 4.8963 8.2736 121.7578 61.0062 34.5770 174.1973 44 L 4.7651 9.0764 129.5653 53.2446 44.8473 174.8643 45 I 5.0493 8.4983 126.1968 59.6251 39.4132 174.6182 46 A 4.7327 9.0627 129.5704 50.0744 21.6982 175.4254 47 Q 4.7703 8.6391 121.0956 55.0551 30.3372 175.8461 48 F 4.7181 8.3140 120.5341 57.9884 39.2873 175.0690 49 T 4.7296 8.9936 111.3749 59.9898 72.0020 174.0805 50 E 4.1488 8.9219 121.4150 59.2161 29.6555 177.0882 51 H 4.6278 7.8641 114.7659 56.0723 29.9822 174.1679 52 T 5.0951 8.1908 116.6742 61.9129 71.1948 174.3573 53 S 5.0183 8.9373 120.0042 58.0035 64.7107 173.4079 54 A 5.0228 7.8885 121.2447 51.2179 22.5537 175.2849 55 I 5.0197 8.5396 120.3551 59.3468 40.8598 174.7612 56 K 4.6098 9.1135 127.8275 54.4612 35.1662 174.6186 57 V 4.7875 8.3676 126.1099 61.0405 33.7854 174.3348 58 R 4.4808 8.8993 128.1830 55.3900 32.7516 174.7122 59 G 4.0583 9.0338 111.4880 43.8064 0.0000 172.5255 60 K 4.8986 9.6071 120.6633 55.5265 33.0618 175.6277 61 A 5.1185 8.6003 127.1208 50.8079 23.4922 173.6271 62 Y 4.8972 9.1272 121.4036 56.0547 40.9198 174.5988 63 I 5.0483 8.3700 127.2822 59.5608 40.8473 174.4380 64 Q 5.0779 9.0441 125.3239 54.4276 32.1724 174.8617 65 T 4.7728 8.4763 112.0960 59.7895 72.4098 174.4769 66 R 3.8003 8.4951 120.3318 59.3964 29.9756 176.7257 67 H 4.6107 7.9299 112.9549 55.4067 29.6733 173.9683 68 G 3.7720 7.1182 105.7207 44.2006 0.0000 173.0108 69 V 4.6516 8.0367 113.1782 60.0408 33.6871 175.4749 70 I 4.6262 8.3113 122.5074 59.5305 41.9918 173.3340 71 E 5.1361 8.6049 125.7487 54.5155 32.4724 175.7814 72 S 4.7075 8.6351 118.5855 57.5579 65.4301 172.8291 73 E 4.8991 8.5209 120.0577 54.3096 32.7228 176.2720 74 G 3.7173 8.6991 111.3201 45.9134 0.0000 173.3399 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 7 S 8.33 4.49 0.00 3.94 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 8 D 8.45 4.70 0.00 2.99 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 9 F 8.04 5.22 0.00 3.05 2.97 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 10 V 8.78 4.47 1.95 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 0.97 0.00 0.00 0.75 0.00 0.00 11 V 8.70 4.89 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 1.08 0.00 0.00 1.16 0.00 0.00 12 I 9.04 4.92 1.87 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 1.09 0.48 0.92 0.00 0.00 13 K 9.09 5.01 0.00 1.85 1.75 0.00 1.59 0.00 0.00 1.56 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.36 7.81 14 A 8.74 4.43 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 15 L 8.87 4.65 0.00 1.66 1.71 1.01 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.67 4.67 0.00 2.03 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 2.19 2.32 0.00 17 D 8.35 4.38 0.00 2.69 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 18 G 8.73 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 0.00 0.00 0.00 19 V 7.77 3.91 2.19 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 0.78 0.00 0.00 0.99 0.00 0.00 20 N 9.15 5.37 0.00 2.58 2.59 0.00 0.00 6.24 8.33 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 21 V 8.57 4.66 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 0.88 0.00 0.00 0.90 0.00 0.00 22 I 8.73 4.71 1.38 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.35 -0.15 0.00 0.00 23 G 8.78 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 0.00 0.00 0.00 0.00 24 L 8.86 5.52 0.00 1.90 1.71 1.02 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.85 4.52 4.31 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 1.40 0.00 0.00 26 R 7.73 4.39 0.00 1.92 1.96 0.00 3.27 0.00 0.00 3.08 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.43 0.00 27 G 8.74 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.53 4.16 1.29 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 0.00 0.00 0.00 29 D 7.29 4.77 0.00 2.63 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 30 T 8.36 4.79 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 1.27 0.00 0.00 31 R 8.77 4.61 0.00 1.80 1.96 0.00 2.80 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 32 F 8.50 5.32 0.00 2.92 2.87 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 33 H 9.05 5.02 0.00 3.15 3.49 0.00 5.79 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.67 4.80 0.00 3.31 3.07 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.24 4.79 0.00 3.76 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.13 4.44 0.00 2.13 1.79 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 2.25 2.29 0.00 37 K 8.62 4.76 0.00 1.78 1.68 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.45 7.81 38 L 9.12 4.93 0.00 1.55 1.53 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.27 4.97 0.00 2.56 2.69 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 40 K 8.58 4.28 0.00 1.72 1.72 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.28 7.81 41 G 9.16 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.06 4.28 0.00 2.09 1.87 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 2.32 2.25 0.00 43 V 8.27 4.90 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 0.81 0.00 0.00 0.94 0.00 0.00 44 L 9.08 4.77 0.00 1.74 1.46 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.50 5.05 1.79 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 1.30 0.81 0.80 0.00 0.00 46 A 9.06 4.73 1.12 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 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.64 4.77 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.92 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 48 F 8.31 4.72 0.00 3.06 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 49 T 8.99 4.73 4.31 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 1.32 0.00 0.00 50 E 8.92 4.15 0.00 1.94 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 0.00 1.99 2.26 0.00 51 H 7.86 4.63 0.00 3.47 3.24 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.19 5.10 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 1.35 0.00 0.00 53 S 8.94 5.02 0.00 3.81 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 54 A 7.89 5.02 1.30 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 0.00 0.00 0.00 55 I 8.54 5.02 1.86 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.73 0.83 0.00 0.00 56 K 9.11 4.61 0.00 1.72 1.39 0.00 1.51 0.00 0.00 1.52 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.24 1.32 7.81 57 V 8.37 4.79 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 0.82 0.00 0.00 0.90 0.00 0.00 58 R 8.90 4.48 0.00 1.85 1.68 0.00 3.11 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 59 G 9.03 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 0.00 0.00 0.00 60 K 9.61 4.90 0.00 1.85 1.72 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.26 7.81 61 A 8.60 5.12 1.26 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 0.00 0.00 0.00 62 Y 9.13 4.90 0.00 3.00 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 63 I 8.37 5.05 1.91 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.54 0.85 0.00 0.00 64 Q 9.04 5.08 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.53 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 65 T 8.48 4.77 4.10 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 66 R 8.50 3.80 0.00 1.62 1.78 0.00 3.21 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 67 H 7.93 4.61 0.00 3.17 3.28 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.12 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 0.00 0.00 0.00 69 V 8.04 4.65 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 0.65 0.00 0.00 0.56 0.00 0.00 70 I 8.31 4.63 1.80 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.60 0.84 0.00 0.00 71 E 8.60 5.14 0.00 1.84 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 2.18 2.16 0.00 72 S 8.64 4.71 0.00 3.96 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 73 E 8.52 4.90 0.00 1.83 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 74 G 8.70 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