NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.3277 8.2876 120.2260 55.9838 31.0890 175.9971 5 P 4.5769 0.0000 0.0000 61.8707 31.8476 175.1535 6 C 4.8157 6.9408 116.1302 57.9883 34.5218 172.8094 7 V 4.2844 7.4865 127.9844 61.1080 36.3963 175.6419 8 E 3.9366 8.1070 121.0654 58.9473 29.1844 179.3981 9 S 4.2517 8.0318 111.4551 60.5480 62.9427 175.5530 10 L 4.3093 7.7252 122.5901 57.2931 41.8507 178.8288 11 V 3.7375 7.7840 118.3654 65.8727 31.0857 178.1539 12 S 4.1931 7.9618 114.3584 61.6719 62.8333 176.5923 13 Q 3.9138 8.1212 121.0290 58.4908 28.3244 177.6329 14 Y 4.2179 7.8076 120.5387 60.7449 38.7318 177.8759 15 F 3.8772 8.1458 121.6279 61.3572 39.5087 177.1564 16 Q 4.0131 7.8775 117.4511 59.0756 27.9566 178.7349 17 T 3.8433 7.6627 116.7384 66.6271 68.2382 176.8715 18 V 3.5656 6.9679 118.9642 65.7973 31.5683 178.0897 19 T 3.8559 7.2290 115.8128 66.6996 68.4615 176.1222 20 D 4.3537 7.9071 120.6563 57.6323 40.8992 178.2690 21 Y 4.2829 7.7541 118.8650 60.8887 38.8735 178.6782 22 G 3.4320 7.8272 106.3108 47.5415 0.0000 175.8880 23 K 3.9676 7.8421 120.2974 59.3629 31.9245 178.9730 24 D 4.5054 7.6627 117.8178 57.2329 40.9886 178.6698 25 L 4.0303 7.2967 118.1765 58.0203 41.6505 179.3464 26 M 4.0485 7.7833 118.2548 58.4297 31.6184 178.7210 27 E 4.0757 8.0328 117.8796 58.5716 29.5535 178.2443 28 K 4.4867 7.3376 116.6795 56.2696 32.3645 177.5011 29 V 4.2682 7.3284 119.5632 63.4379 33.5937 176.9883 30 K 4.4052 8.0500 116.7129 57.4230 32.0665 176.4130 31 S 4.7894 7.9003 112.3206 59.0564 70.0800 175.1612 32 P 4.1927 0.0000 0.0000 65.3113 31.3786 178.2236 33 E 4.0235 8.1065 116.0180 58.4753 30.0182 177.8168 34 L 3.9839 7.8723 118.3381 57.3520 41.1764 177.5363 35 Q 3.8965 7.1752 119.7001 55.6672 29.3896 175.6846 36 A 4.3391 7.0155 124.0345 51.9550 21.7088 176.0947 37 E 3.8977 8.5357 121.3829 58.9706 30.6917 178.6502 38 A 4.6463 7.2388 122.7439 49.9772 16.8869 176.7624 39 K 3.8516 7.9258 124.7874 59.1458 32.9020 178.9933 40 S 4.3359 8.0998 113.6658 61.2893 63.0539 175.6981 41 Y 3.9070 8.1189 123.0351 60.6755 38.5579 177.4215 42 F 4.2935 8.6810 118.5127 59.3738 39.1935 176.9373 43 E 4.1851 7.8885 118.2604 59.0447 29.4123 178.5532 44 K 4.4574 8.2061 119.0430 58.0770 31.5733 179.4427 45 S 4.0321 8.0426 115.1293 61.1204 62.9914 176.5631 46 K 4.1335 7.7322 120.4968 58.6748 31.5860 178.1521 47 E 4.2502 7.6762 117.4199 56.9112 28.4123 177.7800 48 Q 4.3363 7.8071 120.1854 56.6642 30.3121 177.8569 49 L 4.0358 7.6143 119.3626 57.7421 42.1334 178.9711 50 T 3.8401 7.6922 115.4319 66.4532 68.4830 175.0217 51 P 4.2605 0.0000 0.0000 65.3371 31.0799 178.4896 52 L 3.9633 7.1413 115.5688 58.0590 42.1296 178.8152 53 I 3.8918 7.5638 119.8518 64.2794 37.2079 178.4409 54 K 4.1104 8.2215 118.6537 58.4930 31.9289 179.2678 55 K 3.9697 8.0072 120.4568 59.1670 32.0092 178.4226 56 A 4.3941 7.3578 122.2819 53.8682 17.9674 179.7202 57 G 3.5344 7.7617 104.0679 47.2567 0.0000 174.8968 58 T 4.4609 7.4339 111.9352 61.8923 67.1658 174.2994 59 E 4.4506 7.5275 116.8867 58.1125 31.5025 177.8857 60 L 3.8891 7.9996 118.8004 57.9841 41.8523 179.8947 61 V 3.6069 7.7770 117.5208 66.1141 31.6007 177.6277 62 N 4.3993 8.1449 115.7914 56.4003 38.4105 177.2500 63 F 3.9812 8.4663 118.8697 60.1789 38.9258 177.9349 64 L 4.1066 8.2879 119.1225 57.7093 41.3528 179.4340 65 S 4.1310 8.0446 113.2395 61.3679 62.3293 175.5738 66 Y 4.1130 7.3375 121.3309 60.7097 38.0950 178.0390 67 F 4.3960 7.5519 118.5011 60.2988 38.7191 177.9665 68 V 3.7068 7.4763 117.0447 66.5289 31.4963 177.4397 69 E 4.1694 8.2302 117.6084 57.4565 30.4769 178.1212 70 L 4.2569 7.5501 124.5106 52.0621 40.3914 175.8725 71 G 4.0019 7.4844 101.6193 46.0084 0.0000 170.0189 72 T 4.5799 8.2065 119.5713 63.5238 75.0519 174.0327 73 Q 4.6429 7.8336 120.4402 53.4057 31.0560 174.0370 74 P 4.7326 0.0000 0.0000 61.6862 30.7428 179.3088 75 A 4.4195 8.6844 126.7805 53.0544 21.5044 176.9797 76 T 3.5212 9.1221 114.5385 64.1335 67.8375 172.2533 77 Q 4.0987 8.2339 124.4196 56.3100 29.4425 174.6552 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 4 E 8.29 4.33 0.00 2.04 2.03 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 2.29 2.30 0.00 5 P 0.00 4.58 0.00 2.25 2.12 0.00 3.80 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.01 0.00 6 C 6.94 4.82 0.00 2.95 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 7 V 7.49 4.28 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 0.61 0.00 0.00 0.92 0.00 0.00 8 E 8.11 3.94 0.00 2.00 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 2.40 2.32 0.00 9 S 8.03 4.25 0.00 4.03 4.01 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 0.00 0.00 0.00 0.00 10 L 7.73 4.31 0.00 1.86 1.75 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.78 3.74 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 1.14 0.00 0.00 1.04 0.00 0.00 12 S 7.96 4.19 0.00 4.07 4.14 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 0.00 0.00 0.00 13 Q 8.12 3.91 0.00 2.34 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.94 0.00 0.00 0.00 0.00 0.00 2.49 2.61 0.00 14 Y 7.81 4.22 0.00 3.06 3.25 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 0.00 15 F 8.15 3.88 0.00 3.16 3.05 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 0.00 0.00 0.00 16 Q 7.88 4.01 0.00 2.37 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.48 2.71 0.00 17 T 7.66 3.84 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 1.20 0.00 0.00 18 V 6.97 3.57 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 0.66 0.00 0.00 0.45 0.00 0.00 19 T 7.23 3.86 4.33 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 1.16 0.00 0.00 20 D 7.91 4.35 0.00 2.86 2.74 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 21 Y 7.75 4.28 0.00 3.01 3.14 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 0.00 0.00 0.00 22 G 7.83 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.84 3.97 0.00 1.98 1.82 0.00 1.50 0.00 0.00 1.97 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.55 7.81 24 D 7.66 4.51 0.00 2.75 2.70 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 0.00 0.00 0.00 0.00 25 L 7.30 4.03 0.00 1.67 1.54 0.32 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 26 M 7.78 4.05 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.52 0.00 27 E 8.03 4.08 0.00 1.92 1.98 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 0.00 2.31 2.54 0.00 28 K 7.34 4.49 0.00 1.83 1.78 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.58 7.81 29 V 7.33 4.27 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 1.05 0.00 0.00 1.03 0.00 0.00 30 K 8.05 4.41 0.00 1.78 1.81 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.58 7.81 31 S 7.90 4.79 0.00 3.97 4.01 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 0.00 0.00 0.00 0.00 32 P 0.00 4.19 0.00 2.21 2.31 0.00 3.66 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.95 0.00 33 E 8.11 4.02 0.00 2.07 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 0.00 2.32 2.30 0.00 34 L 7.87 3.98 0.00 1.62 1.75 0.93 0.87 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 35 Q 7.18 3.90 0.00 2.07 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.20 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 36 A 7.02 4.34 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.54 3.90 0.00 1.86 1.89 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 2.25 2.22 0.00 38 A 7.24 4.65 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.93 3.85 0.00 1.82 1.88 0.00 1.66 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.56 7.81 40 S 8.10 4.34 0.00 4.09 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 41 Y 8.12 3.91 0.00 3.24 3.31 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 42 F 8.68 4.29 0.00 3.11 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.89 4.19 0.00 2.15 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 2.31 2.37 0.00 44 K 8.21 4.46 0.00 1.73 1.66 0.00 1.61 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.54 1.43 7.81 45 S 8.04 4.03 0.00 3.97 4.11 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.73 4.13 0.00 2.03 1.90 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.47 1.70 7.81 47 E 7.68 4.25 0.00 2.12 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 2.30 2.52 0.00 48 Q 7.81 4.34 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.41 6.79 0.00 0.00 0.00 0.00 0.00 2.21 2.50 0.00 49 L 7.61 4.04 0.00 1.67 1.68 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.69 3.84 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 51 P 0.00 4.26 0.00 2.13 2.08 0.00 3.58 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.12 0.00 52 L 7.14 3.96 0.00 1.78 1.88 0.90 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.56 3.89 1.98 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 1.51 1.19 0.90 0.00 0.00 54 K 8.22 4.11 0.00 1.84 1.84 0.00 1.54 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.48 7.81 55 K 8.01 3.97 0.00 2.05 1.94 0.00 1.61 0.00 0.00 1.63 0.00 0.00 3.17 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.43 7.81 56 A 7.36 4.39 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 57 G 7.76 3.53 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 0.00 0.00 0.00 0.00 58 T 7.43 4.46 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 1.28 0.00 0.00 59 E 7.53 4.45 0.00 1.87 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.52 0.00 60 L 8.00 3.89 0.00 1.71 1.72 0.90 0.91 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 61 V 7.78 3.61 2.20 0.00 0.00 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 0.00 0.00 1.01 0.00 0.00 62 N 8.14 4.40 0.00 3.24 2.95 0.00 0.00 7.17 8.13 0.00 0.00 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 F 8.47 3.98 0.00 3.04 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 64 L 8.29 4.11 0.00 2.01 1.78 1.13 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.04 4.13 0.00 4.01 4.01 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 0.00 0.00 0.00 0.00 66 Y 7.34 4.11 0.00 2.87 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 67 F 7.55 4.40 0.00 3.27 2.94 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 68 V 7.48 3.71 2.22 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 0.85 0.00 0.00 1.03 0.00 0.00 69 E 8.23 4.17 0.00 1.97 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 2.35 2.52 0.00 70 L 7.55 4.26 0.00 1.24 1.41 0.98 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 71 G 7.48 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.21 4.58 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 1.20 0.00 0.00 73 Q 7.83 4.64 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.05 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 74 P 0.00 4.73 0.00 2.03 1.08 0.00 3.70 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 75 A 8.68 4.42 1.19 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 0.00 0.00 76 T 9.12 3.52 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 77 Q 8.23 4.10 0.00 1.93 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.65 0.00 0.00 0.00 0.00 0.00 2.22 2.37 0.00