NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3507 8.0333 117.3378 63.6619 70.6425 172.2945 2 T 4.6457 8.3177 122.1200 62.7367 69.1398 172.4701 3 Y 4.9963 9.9243 124.8773 56.1454 41.8295 174.3773 4 K 4.9968 9.4354 122.6146 54.6473 36.3391 174.6486 5 L 4.7133 8.6755 126.8528 53.2873 44.7814 175.0252 6 I 4.6440 9.0704 128.7335 59.8356 39.2285 174.7233 7 L 4.8608 9.0151 128.0598 53.0494 43.9424 175.2528 8 N 5.1744 9.5942 121.6190 50.7412 41.6292 174.7001 9 G 4.1051 8.0351 109.3841 46.8046 0.0000 171.6266 10 K 4.3972 8.4576 117.6485 57.9684 32.9312 178.9272 11 T 4.0497 7.6247 114.3253 65.7143 68.5782 174.6921 12 L 4.5347 7.6949 120.0040 53.4990 45.0644 174.2022 13 K 4.7247 8.6326 124.5444 54.4787 35.0208 175.9379 14 G 4.0274 8.0334 110.3622 46.8280 0.0000 170.9213 15 E 5.9090 8.8675 117.9646 54.5312 33.5411 175.1882 16 T 4.8857 8.3371 112.6662 60.1506 72.8231 172.4039 17 T 5.4932 8.4435 111.2320 60.6612 72.3191 172.7083 18 T 4.6899 9.1613 115.7441 60.7845 71.4341 171.7372 19 E 5.1337 8.7467 127.7262 54.9069 30.7249 174.7207 20 A 4.6986 8.9827 127.6143 50.3636 22.3444 176.2441 21 V 3.7095 8.5246 119.0997 65.6296 32.0117 175.8331 22 D 4.9307 7.7249 118.7563 50.8609 43.6236 175.6633 23 A 3.2558 8.3773 120.2896 54.6701 18.1001 179.5084 24 E 3.7644 7.9719 116.8922 59.8822 29.6144 179.5475 25 T 3.6562 8.5606 115.6077 66.3988 68.4419 176.3846 26 A 3.3741 7.3029 122.5891 55.2060 18.2120 179.0727 27 E 3.0865 8.1979 117.7130 59.2709 29.5158 179.1962 28 R 3.6680 7.3696 118.2884 59.2141 30.1894 178.6242 29 V 3.4744 7.3318 117.8707 66.1580 31.5088 177.9977 30 F 4.7223 8.0041 117.6411 60.6721 38.6131 177.8346 31 K 4.1362 8.3808 118.4358 59.4789 31.7657 179.0181 32 E 3.9521 8.2449 119.5522 59.3037 29.5736 178.3166 33 Y 4.1178 8.3698 119.5014 60.5703 38.8624 177.6243 34 A 3.9489 8.8615 122.1694 55.1367 18.5856 179.7076 35 K 3.9011 8.4000 117.2178 59.6374 31.9608 179.3659 36 K 3.9012 7.9866 118.4650 59.0948 31.9787 177.3670 37 N 4.7689 7.5289 114.4002 52.1608 38.9574 174.9758 38 G 3.8711 7.9348 107.4868 46.7659 0.0000 174.1972 39 V 4.4302 7.9097 118.6210 60.5986 34.4456 172.2764 40 D 4.5088 9.0145 124.4641 52.3734 41.9666 179.0059 41 G 4.3542 8.8629 114.3816 44.7927 0.0000 171.9560 42 E 4.6177 8.3098 118.6057 54.9645 31.0096 174.6618 43 W 5.3720 9.1451 126.8612 55.8474 30.9590 175.7732 44 T 4.9193 9.4417 120.7261 61.8962 72.0425 172.2310 45 Y 4.9507 8.5838 125.0206 55.7333 42.4245 173.2968 46 D 4.6839 7.7864 126.4688 52.0791 42.6727 176.2548 47 D 4.1166 8.3310 126.6739 56.1721 39.7368 178.6587 48 A 3.9174 7.8751 121.9777 54.4053 18.4693 177.8589 49 T 4.3399 7.1412 103.0445 60.4341 69.4705 174.3473 50 K 4.1095 7.2135 120.0872 57.1104 30.6565 174.1930 51 T 5.3232 7.4552 112.9988 61.9207 71.8566 173.7329 52 F 5.3905 9.9142 125.2148 56.3833 41.6080 174.9045 53 T 4.8973 9.3269 119.7752 61.6414 71.8959 173.0152 54 V 4.4622 8.5495 126.2906 61.2422 34.2917 174.0685 55 T 4.9060 8.4070 124.7182 61.9174 70.7396 174.7481 56 E 4.2298 8.6428 124.7690 56.5818 29.2350 176.5009 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 T 8.03 4.35 4.34 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 0.89 0.00 0.00 2 T 8.32 4.65 4.19 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 1.25 0.00 0.00 3 Y 9.92 5.00 0.00 3.10 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.44 5.00 0.00 1.89 1.70 0.00 1.58 0.00 0.00 1.67 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.37 7.81 5 L 8.68 4.71 0.00 0.27 0.42 0.56 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 6 I 9.07 4.64 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 1.17 0.58 0.88 0.00 0.00 7 L 9.02 4.86 0.00 1.54 1.69 0.71 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 8 N 9.59 5.17 0.00 2.54 2.64 0.00 0.00 6.34 7.19 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 9 G 8.04 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 0.00 0.00 0.00 10 K 8.46 4.40 0.00 1.74 1.86 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.44 7.81 11 T 7.62 4.05 4.45 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 1.25 0.00 0.00 12 L 7.69 4.53 0.00 1.49 1.44 0.92 0.46 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 13 K 8.63 4.72 0.00 1.62 1.66 0.00 1.89 0.00 0.00 1.69 0.00 0.00 2.71 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.51 7.81 14 G 8.03 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 0.00 0.00 0.00 15 E 8.87 5.91 0.00 1.78 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.11 0.00 16 T 8.34 4.89 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 0.98 0.00 0.00 17 T 8.44 5.49 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 1.28 0.00 0.00 18 T 9.16 4.69 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 0.51 0.00 0.00 19 E 8.75 5.13 0.00 2.03 1.85 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 2.24 2.26 0.00 20 A 8.98 4.70 1.06 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 21 V 8.52 3.71 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 0.86 0.00 0.00 0.91 0.00 0.00 22 D 7.72 4.93 0.00 2.92 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 23 A 8.38 3.26 1.06 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 24 E 7.97 3.76 0.00 2.08 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 2.33 2.30 0.00 25 T 8.56 3.66 4.19 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 1.08 0.00 0.00 26 A 7.30 3.37 0.69 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 0.00 0.00 27 E 8.20 3.09 0.00 1.96 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 1.95 2.02 0.00 28 R 7.37 3.67 0.00 1.91 1.77 0.00 3.09 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 29 V 7.33 3.47 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.75 0.00 0.00 30 F 8.00 4.72 0.00 3.02 3.08 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 31 K 8.38 4.14 0.00 1.77 1.71 0.00 1.13 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.95 1.16 7.81 32 E 8.24 3.95 0.00 2.27 2.11 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 2.34 2.32 0.00 33 Y 8.37 4.12 0.00 3.23 3.29 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 34 A 8.86 3.95 1.75 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 0.00 0.00 0.00 0.00 0.00 0.00 35 K 8.40 3.90 0.00 1.83 1.89 0.00 1.75 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.68 7.81 36 K 7.99 3.90 0.00 1.77 2.00 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.38 1.46 7.81 37 N 7.53 4.77 0.00 2.41 2.60 0.00 0.00 7.01 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 38 G 7.93 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 0.00 0.00 0.00 39 V 7.91 4.43 2.17 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 0.85 0.00 0.00 0.89 0.00 0.00 40 D 9.01 4.51 0.00 2.72 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.86 4.35 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 0.00 42 E 8.31 4.62 0.00 2.17 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 2.39 2.51 0.00 43 W 9.15 5.37 0.00 3.26 3.38 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 44 T 9.44 4.92 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 1.23 0.00 0.00 45 Y 8.58 4.95 0.00 2.77 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 46 D 7.79 4.68 0.00 2.62 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 0.00 0.00 0.00 0.00 47 D 8.33 4.12 0.00 2.94 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 A 7.88 3.92 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 49 T 7.14 4.34 4.19 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 1.18 0.00 0.00 50 K 7.21 4.11 0.00 1.84 1.71 0.00 1.62 0.00 0.00 2.00 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.30 1.27 7.81 51 T 7.46 5.32 4.19 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 1.23 0.00 0.00 52 F 9.91 5.39 0.00 3.06 3.26 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 53 T 9.33 4.90 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 1.15 0.00 0.00 54 V 8.55 4.46 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 -0.88 0.00 0.00 55 T 8.41 4.91 4.21 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 0.00 0.00 0.00 1.19 0.00 0.00 56 E 8.64 4.23 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 2.26 2.37 0.00