NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9292 8.3501 109.7363 44.8157 0.0000 173.2615 3 A 4.5368 9.0538 121.2110 52.5917 26.3000 176.1385 4 M 4.7996 7.8972 111.7827 54.6109 37.0849 173.0299 5 G 3.8658 8.6070 109.1691 47.6121 0.0000 174.6498 6 Q 4.3436 7.7335 117.3472 56.1461 29.4219 176.6527 7 E 4.8758 8.2895 116.8501 57.2395 30.0035 175.0954 8 T 4.7839 8.0161 112.1806 62.4542 70.3178 174.7916 9 D 4.8770 7.8807 116.6585 53.3241 42.2746 176.6340 10 W 3.1913 8.0692 114.8760 57.7886 28.9497 177.8135 11 R 3.8115 7.3601 117.0810 56.4659 30.1802 176.9630 12 S 4.3137 7.6679 113.5082 57.9169 64.3186 174.6463 13 T 3.7765 8.4500 124.6087 66.9023 68.3645 176.4848 14 A 3.9983 7.6501 121.1729 55.8100 18.3033 178.8465 15 F 3.9304 8.3397 118.7337 61.1238 39.5405 176.8386 16 R 4.1182 8.5543 117.6351 59.7753 30.0040 178.3185 17 Q 3.9389 8.8476 119.4832 59.2476 29.1545 178.3314 18 K 3.8573 8.2673 119.0142 59.7629 32.2450 179.2412 19 L 4.1098 8.0939 118.8645 57.9126 41.6142 179.6840 20 V 3.7032 8.4157 118.5383 66.1663 31.3190 178.0553 21 S 4.0993 8.1533 112.8134 61.3064 62.1406 176.0603 22 Q 3.9876 7.9800 120.2955 59.2729 28.6475 179.0307 23 I 3.6887 7.7839 120.6586 64.3516 37.1497 178.1779 24 E 4.1751 8.0651 121.5749 58.3624 29.5250 178.4424 25 D 4.1917 8.3455 118.4102 57.1852 41.3040 177.9849 26 A 3.9363 8.1112 121.5506 55.3153 18.3638 179.2361 27 M 3.0852 7.5152 116.3336 58.3954 31.9972 178.0282 28 R 3.7586 7.3713 117.2835 59.8238 30.3127 178.4719 29 K 4.0249 7.7165 115.8212 58.8934 32.0826 179.0161 30 A 4.2296 7.9783 120.8584 52.1045 19.5549 176.4757 31 G 3.7694 7.7224 107.1414 46.0762 0.0000 172.4381 32 V 4.5223 7.1962 114.8779 59.9100 36.3756 174.9024 33 A 4.2785 7.9069 118.2429 52.8401 20.9619 173.9561 34 H 4.2152 8.5176 131.2387 57.2770 33.8926 175.7646 35 S 4.4019 8.0429 114.7959 58.1267 62.9888 173.8091 36 K 3.9855 8.2354 121.7969 57.5325 32.5072 177.1679 37 S 4.5437 7.4120 109.4207 56.2506 66.3429 176.8701 38 S 4.0552 8.2835 118.9310 61.6629 62.0277 175.9192 39 K 4.3565 8.1007 122.7448 59.2990 31.8285 178.1217 40 D 4.5224 7.8805 119.5911 56.8330 40.9139 178.5355 41 M 4.1668 8.5317 119.7492 58.5060 32.1382 178.6756 42 E 4.2325 8.9070 119.3437 59.3998 29.5200 179.4006 43 S 4.1975 8.1452 114.3280 61.8569 62.8343 176.1566 44 H 4.3545 8.3247 121.6894 58.9392 29.4463 177.1978 45 V 3.6515 7.6887 118.6390 66.2825 31.5324 177.3402 46 F 4.2831 8.6670 120.1894 61.5447 39.0776 177.0633 47 L 4.1595 8.1719 118.1482 57.4916 41.5380 179.0340 48 K 4.1646 8.1889 118.4087 57.2749 32.4971 176.7994 49 A 4.8670 7.3969 120.8784 50.9983 19.3836 176.9686 50 K 4.4331 8.4930 118.2354 57.3951 34.0765 176.9542 51 T 4.1146 6.8688 107.8807 58.7540 73.0016 174.3818 52 R 2.5100 7.0377 117.2292 58.6658 28.7841 178.4385 53 D 4.0569 7.1303 117.4071 57.0983 41.3400 177.4111 54 E 3.7843 7.8201 119.3359 59.6451 29.4936 177.9198 55 Y 3.9904 7.4145 118.8240 60.8066 39.0289 177.7318 56 L 4.0343 7.9957 119.8240 57.9054 41.7284 179.8267 57 S 3.9820 8.3011 113.2947 61.4321 62.5420 176.1162 58 L 3.9517 8.0272 121.8905 57.6375 41.2207 179.7953 59 V 3.3746 8.0945 118.1988 65.8267 31.5016 177.5265 60 A 3.9682 7.6879 120.2251 55.5815 18.1326 179.5146 61 R 3.8535 7.8315 115.9450 59.4332 30.2487 178.9330 62 L 3.8865 7.8107 119.5117 58.2658 42.1460 178.9916 63 I 3.9409 8.0444 119.7568 64.5951 37.0953 178.3582 64 I 3.7047 8.2578 120.8324 64.8856 37.0094 177.8774 65 H 4.0424 8.5547 119.1923 59.2820 29.6191 177.3245 66 F 4.2261 8.0658 119.4191 60.7251 38.8414 177.8692 67 R 4.0594 8.2224 117.7244 59.1326 29.7635 178.7886 68 D 4.2894 8.1987 117.9282 57.4149 41.1023 178.0328 69 I 3.6917 7.5338 118.9418 65.0382 37.2687 177.5809 70 H 4.4206 8.0953 116.8468 58.7089 29.7685 176.4202 71 N 4.3269 8.0618 118.4960 53.9823 38.1356 175.8559 72 K 3.7537 8.4680 121.0584 55.8237 31.8548 175.0696 73 K 4.0175 8.7182 116.1782 57.3867 30.3361 174.3476 74 S 4.4630 7.2497 111.0787 56.6569 64.5813 172.1685 75 Q 3.7601 8.1128 120.6437 54.5196 29.2290 173.8904 76 A 3.5346 7.9294 135.0000 51.9093 16.0458 176.8534 77 S 4.4929 8.3766 114.6696 57.3678 64.6317 175.0150 78 V 3.6590 8.2778 117.7516 61.4114 31.4182 176.4245 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 2 G 8.35 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 0.00 0.00 0.00 3 A 9.05 4.54 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 M 7.90 4.80 0.00 2.02 1.93 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.59 0.00 5 G 8.61 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 6 Q 7.73 4.34 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.39 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 7 E 8.29 4.88 0.00 1.95 1.92 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 2.31 2.48 0.00 8 T 8.02 4.78 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 1.25 0.00 0.00 9 D 7.88 4.88 0.00 2.74 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.07 3.19 0.00 2.63 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 11 R 7.36 3.81 0.00 1.58 1.78 0.00 3.15 0.00 0.00 3.06 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.94 0.00 12 S 7.67 4.31 0.00 3.94 4.03 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 13 T 8.45 3.78 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 1.17 0.00 0.00 14 A 7.65 4.00 1.37 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 15 F 8.34 3.93 0.00 3.20 3.19 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 0.00 0.00 0.00 0.00 16 R 8.55 4.12 0.00 1.89 1.87 0.00 2.90 0.00 0.00 2.61 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 17 Q 8.85 3.94 0.00 2.20 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.51 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 18 K 8.27 3.86 0.00 2.07 1.83 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.49 7.81 19 L 8.09 4.11 0.00 2.19 2.10 1.13 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 20 V 8.42 3.70 2.38 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 1.01 0.00 0.00 1.09 0.00 0.00 21 S 8.15 4.10 0.00 3.96 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 22 Q 7.98 3.99 0.00 2.33 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.57 0.00 0.00 0.00 0.00 0.00 2.63 2.57 0.00 23 I 7.78 3.69 2.12 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.17 0.99 0.00 0.00 24 E 8.07 4.18 0.00 2.24 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 2.27 2.30 0.00 25 D 8.35 4.19 0.00 2.94 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 26 A 8.11 3.94 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.52 3.09 0.00 1.82 1.85 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.29 0.00 28 R 7.37 3.76 0.00 1.88 2.09 0.00 3.28 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 29 K 7.72 4.02 0.00 1.74 1.75 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.40 7.81 30 A 7.98 4.23 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 0.00 0.00 31 G 7.72 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 32 V 7.20 4.52 2.28 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 1.13 0.00 0.00 1.00 0.00 0.00 33 A 7.91 4.28 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 34 H 8.52 4.22 0.00 3.13 3.24 0.00 5.74 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.04 4.40 0.00 3.98 3.89 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.24 3.99 0.00 1.73 1.78 0.00 1.98 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.44 7.81 37 S 7.41 4.54 0.00 3.87 3.64 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 38 S 8.28 4.06 0.00 3.91 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 39 K 8.10 4.36 0.00 1.87 1.83 0.00 1.81 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.43 7.81 40 D 7.88 4.52 0.00 2.87 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 41 M 8.53 4.17 0.00 2.17 2.39 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.75 0.00 42 E 8.91 4.23 0.00 2.13 2.24 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 2.52 2.51 0.00 43 S 8.15 4.20 0.00 4.09 4.28 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 44 H 8.32 4.35 0.00 3.41 3.60 0.00 5.62 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 7.69 3.65 2.60 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 0.97 0.00 0.00 1.09 0.00 0.00 46 F 8.67 4.28 0.00 3.25 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 47 L 8.17 4.16 0.00 1.82 1.83 0.97 0.98 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 48 K 8.19 4.16 0.00 1.71 2.02 0.00 1.73 0.00 0.00 1.58 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.44 7.81 49 A 7.40 4.87 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.49 4.43 0.00 1.92 1.80 0.00 1.74 0.00 0.00 2.01 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.40 7.81 51 T 6.87 4.11 3.88 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 0.00 0.00 1.08 0.00 0.00 52 R 7.04 2.51 0.00 1.70 1.48 0.00 2.86 0.00 0.00 3.07 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.52 0.00 53 D 7.13 4.06 0.00 2.72 2.50 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 54 E 7.82 3.78 0.00 1.90 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 2.33 2.32 0.00 55 Y 7.41 3.99 0.00 3.07 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.00 4.03 0.00 1.89 1.76 1.14 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.30 3.98 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 58 L 8.03 3.95 0.00 1.63 1.67 0.92 1.11 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 59 V 8.09 3.37 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 0.97 0.00 0.00 -0.30 0.00 0.00 60 A 7.69 3.97 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 R 7.83 3.85 0.00 2.03 2.00 0.00 3.12 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 62 L 7.81 3.89 0.00 1.86 1.96 1.06 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.04 3.94 2.05 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.59 0.97 0.00 0.00 64 I 8.26 3.70 2.00 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 0.58 0.89 0.00 0.00 65 H 8.55 4.04 0.00 3.33 3.01 0.00 5.60 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 F 8.07 4.23 0.00 3.43 3.02 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 67 R 8.22 4.06 0.00 2.08 2.03 0.00 3.30 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 68 D 8.20 4.29 0.00 2.92 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 69 I 7.53 3.69 2.10 0.00 0.00 0.71 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 0.81 0.96 0.00 0.00 70 H 8.10 4.42 0.00 3.35 3.40 0.00 5.95 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 N 8.06 4.33 0.00 2.93 2.96 0.00 0.00 7.23 5.98 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 72 K 8.47 3.75 0.00 2.01 1.81 0.00 1.84 0.00 0.00 1.53 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.35 7.81 73 K 8.72 4.02 0.00 1.87 1.86 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.31 1.35 7.81 74 S 7.25 4.46 0.00 4.12 3.83 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 0.00 0.00 0.00 75 Q 8.11 3.76 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.13 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 76 A 7.93 3.53 1.35 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 0.00 0.00 77 S 8.38 4.49 0.00 3.92 3.85 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 78 V 8.28 3.66 1.96 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 0.62 0.00 0.00 0.88 0.00 0.00