NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 26 P 4.3838 0.0000 0.0000 61.9613 33.1066 176.8473 27 L 3.7438 8.5722 124.5145 57.5394 42.0380 177.4594 28 R 3.8805 8.8484 119.5242 59.6705 30.3117 177.4445 29 D 4.4686 8.2489 118.2713 56.8293 40.8573 178.8795 30 S 4.1650 7.8266 115.6684 61.4487 63.0096 176.6490 31 V 3.7353 8.0035 114.8938 63.6926 31.2211 178.7618 32 K 3.9743 7.9416 118.5744 59.4036 31.8748 179.0754 33 Q 3.9001 8.1364 119.6873 59.0637 29.1267 177.9840 34 A 3.9812 7.9332 121.8589 55.1358 18.2883 179.6164 35 L 3.7188 7.9542 117.4661 57.2874 41.6585 179.5432 36 K 3.9444 8.1208 118.7740 59.8808 31.8710 179.1334 37 N 4.4192 7.9821 114.8833 56.1768 38.6351 176.7469 38 Y 4.2423 7.7615 120.7900 60.7921 38.7907 177.8618 39 F 4.3742 8.2013 118.6110 60.3643 38.7523 177.1982 40 A 4.1391 8.0117 119.1930 54.0528 18.2277 178.4295 41 Q 4.4362 7.7054 114.8084 54.8614 29.6765 175.7236 42 L 4.0953 7.0225 121.3329 54.5217 41.9207 176.8641 43 N 4.7177 8.2606 121.5445 51.6435 38.9198 175.1587 44 G 3.9226 8.4823 107.2703 45.5073 0.0000 171.3331 45 Q 4.1429 7.7204 119.6776 55.1517 28.7005 176.0440 46 D 4.5515 8.5217 123.2556 54.3091 41.5749 176.1920 47 V 4.5087 8.1447 120.5375 61.5465 34.0505 174.7484 48 N 5.1816 8.9408 122.9436 52.5058 38.3406 173.9783 49 D 4.9220 8.0433 115.5303 52.8082 40.6567 176.9042 50 L 4.0055 8.2935 124.1765 58.9317 41.8049 177.9798 51 Y 4.0124 8.0965 119.0624 60.9145 38.8589 177.8023 52 E 3.9055 8.3099 118.9296 59.2666 29.7577 178.9867 53 L 3.9288 8.0296 120.4469 58.0655 42.0991 179.2309 54 V 3.5662 7.6511 118.1535 65.5056 31.5125 177.7584 55 L 3.7263 7.9286 120.2764 58.0555 41.9951 178.8664 56 A 4.1516 8.3077 122.4772 54.4686 17.7402 179.2919 57 E 3.7333 7.6326 117.0584 59.1651 29.7068 179.2675 58 V 3.5155 7.6056 118.2320 65.9209 31.6594 177.8405 59 E 3.8868 8.3656 118.6852 59.5293 29.3059 179.3650 60 Q 3.6328 7.3541 117.3667 58.7909 28.6614 178.8698 61 A 3.9276 7.4964 120.8755 54.8278 18.3003 179.5244 62 L 3.8138 7.9308 118.7966 58.3568 42.2211 179.0823 63 L 3.9585 7.9739 119.0410 57.7632 41.5443 179.0464 64 D 4.2930 8.1211 117.7659 57.8018 41.2394 178.3032 65 M 4.0891 8.1385 119.1901 58.3856 31.8899 179.0434 66 V 3.6542 8.1024 118.6488 66.1934 31.6552 178.0554 67 M 4.1012 8.3104 118.6763 58.3572 31.8731 178.5469 68 Q 3.9804 8.2409 119.8775 59.3195 29.0222 177.6345 69 Y 4.1123 7.8528 119.7272 60.5946 39.3062 177.1154 70 T 4.2221 8.3759 114.6633 62.6982 68.9249 174.9187 71 R 3.8437 8.6725 118.7662 57.2624 28.2558 177.3055 72 G 3.8469 8.5877 103.8906 45.9280 0.0000 174.3251 73 N 4.4380 7.9482 118.9914 53.4456 39.5138 175.5172 74 Q 4.0570 8.6634 127.9590 59.1404 29.0489 178.4474 75 T 3.8638 7.9269 116.3308 66.7423 68.5812 176.6028 76 R 3.9192 8.4473 119.5958 59.1591 30.1210 178.9913 77 A 4.0061 7.9089 119.7429 55.2748 18.4659 179.6011 78 A 4.0018 8.2838 119.4942 55.2555 18.1730 179.9028 79 L 3.9928 7.8060 116.8868 58.2187 41.7576 179.3189 80 M 4.2268 8.0101 117.8688 58.3755 31.9754 178.1818 81 M 4.3013 8.0015 117.6556 55.7742 32.3348 177.4995 82 G 3.8878 8.1906 106.7362 45.3409 0.0000 172.7712 83 I 4.5190 7.2088 111.3220 57.9773 40.5074 175.1319 84 N 4.4957 8.3206 118.7208 53.4183 40.7312 175.7316 85 R 4.0002 8.6667 126.2993 59.3354 30.2631 179.1483 86 G 3.6260 8.4117 105.8837 47.9554 0.0000 175.9476 87 T 3.8907 7.7051 117.6588 66.1548 68.5921 176.1386 88 L 3.9634 8.0435 122.4329 58.6520 42.0778 179.4780 89 R 3.9705 8.0972 117.5852 58.9584 29.8592 179.1872 90 K 3.9415 8.1355 118.4399 59.5393 31.9479 179.5499 91 K 3.9223 8.2037 118.6511 59.1985 31.8558 179.4561 92 L 4.0693 8.1062 119.4486 57.7878 41.5089 179.5470 93 K 3.8810 8.1295 119.5441 59.1996 31.9181 178.4814 94 K 3.6491 7.9620 119.4744 59.3384 31.8286 177.2171 95 Y 4.6534 7.4850 114.4925 56.4118 38.1806 175.7992 96 G 3.8050 8.1972 108.0917 47.4396 0.0000 174.4608 97 M 4.5484 8.3568 116.5733 53.9601 33.0454 176.4836 98 N 4.0372 7.8413 121.9660 53.7544 36.8135 174.2859 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 26 P 0.00 4.38 0.00 2.19 2.03 0.00 3.66 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.07 0.00 27 L 8.57 3.74 0.00 1.81 1.65 0.88 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.85 3.88 0.00 1.91 1.92 0.00 3.23 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 29 D 8.25 4.47 0.00 2.85 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 30 S 7.83 4.16 0.00 4.00 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 31 V 8.00 3.74 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 0.89 0.00 0.00 32 K 7.94 3.97 0.00 1.97 1.87 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.70 7.81 33 Q 8.14 3.90 0.00 2.26 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 34 A 7.93 3.98 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 35 L 7.95 3.72 0.00 1.67 1.16 0.88 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.12 3.94 0.00 1.95 1.90 0.00 1.83 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.76 7.81 37 N 7.98 4.42 0.00 2.72 2.90 0.00 0.00 7.08 6.74 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 38 Y 7.76 4.24 0.00 3.03 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 39 F 8.20 4.37 0.00 3.19 2.92 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 0.00 0.00 0.00 40 A 8.01 4.14 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.71 4.44 0.00 1.87 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.81 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 42 L 7.02 4.10 0.00 1.68 1.55 0.35 0.93 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 43 N 8.26 4.72 0.00 2.71 2.69 0.00 0.00 7.03 7.75 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 44 G 8.48 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 7.72 4.14 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.85 0.00 0.00 0.00 0.00 0.00 2.39 2.30 0.00 46 D 8.52 4.55 0.00 2.68 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.14 4.51 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.06 0.00 0.00 48 N 8.94 5.18 0.00 2.84 2.83 0.00 0.00 6.02 8.06 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 49 D 8.04 4.92 0.00 2.83 2.88 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 0.00 50 L 8.29 4.01 0.00 1.94 1.85 0.98 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 8.10 4.01 0.00 3.11 3.01 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 52 E 8.31 3.91 0.00 2.07 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 0.00 2.54 2.41 0.00 53 L 8.03 3.93 0.00 1.74 1.88 0.82 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.65 3.57 1.93 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 0.82 0.00 0.00 0.84 0.00 0.00 55 L 7.93 3.73 0.00 1.43 1.59 0.68 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.31 4.15 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 57 E 7.63 3.73 0.00 2.19 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 0.00 2.19 2.25 0.00 58 V 7.61 3.52 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 0.90 0.00 0.00 0.86 0.00 0.00 59 E 8.37 3.89 0.00 1.86 1.97 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 2.33 2.48 0.00 60 Q 7.35 3.63 0.00 1.90 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 1.88 1.26 0.00 61 A 7.50 3.93 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 62 L 7.93 3.81 0.00 1.78 1.84 0.88 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.97 3.96 0.00 1.71 1.73 1.07 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.12 4.29 0.00 2.88 2.84 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 65 M 8.14 4.09 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.79 0.00 66 V 8.10 3.65 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 1.06 0.00 0.00 0.93 0.00 0.00 67 M 8.31 4.10 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.83 0.00 68 Q 8.24 3.98 0.00 2.16 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 69 Y 7.85 4.11 0.00 3.05 3.12 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 70 T 8.38 4.22 4.66 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 1.37 0.00 0.00 71 R 8.67 3.84 0.00 1.93 1.97 0.00 3.18 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.48 0.00 72 G 8.59 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 0.00 0.00 0.00 73 N 7.95 4.44 0.00 2.86 2.74 0.00 0.00 7.21 6.22 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 74 Q 8.66 4.06 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.67 0.00 0.00 0.00 0.00 0.00 2.46 2.61 0.00 75 T 7.93 3.86 4.40 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 1.22 0.00 0.00 76 R 8.45 3.92 0.00 2.01 2.02 0.00 3.31 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 77 A 7.91 4.01 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.28 4.00 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 79 L 7.81 3.99 0.00 1.92 1.76 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 80 M 8.01 4.23 0.00 2.00 2.25 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.96 2.62 0.00 81 M 8.00 4.30 0.00 2.01 2.21 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.54 0.00 82 G 8.19 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 0.00 0.00 0.00 83 I 7.21 4.52 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.78 0.92 0.00 0.00 84 N 8.32 4.50 0.00 2.78 2.73 0.00 0.00 6.50 7.65 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 85 R 8.67 4.00 0.00 1.92 1.92 0.00 3.24 0.00 0.00 3.35 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 86 G 8.41 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 T 7.71 3.89 4.41 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 88 L 8.04 3.96 0.00 1.76 1.91 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 89 R 8.10 3.97 0.00 2.04 1.96 0.00 3.35 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.78 0.00 90 K 8.14 3.94 0.00 1.98 1.82 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.47 7.81 91 K 8.20 3.92 0.00 2.02 1.99 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.61 7.81 92 L 8.11 4.07 0.00 2.06 1.74 0.97 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 93 K 8.13 3.88 0.00 1.82 2.02 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.42 7.81 94 K 7.96 3.65 0.00 1.62 1.44 0.00 1.58 0.00 0.00 0.97 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.89 1.24 7.81 95 Y 7.49 4.65 0.00 3.00 2.91 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 96 G 8.20 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 M 8.36 4.55 0.00 1.99 2.23 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.49 0.00 98 N 7.84 4.04 0.00 2.80 2.75 0.00 0.00 5.98 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