NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3219 8.1733 120.1275 56.9674 34.5610 174.4474 2 D 4.7628 8.6846 120.5672 51.6628 43.2654 175.0747 3 G 3.8649 6.5260 108.6860 46.2666 0.0000 170.0112 4 Y 5.1853 8.1653 116.0972 54.5543 40.5585 174.0632 5 P 4.9087 0.0000 0.0000 62.9760 32.9096 175.6131 6 V 5.6048 8.3963 114.7145 59.0576 35.3015 174.9911 7 D 4.7894 8.2476 121.3459 52.0522 41.4754 176.9633 8 S 4.1400 8.5967 112.7589 60.7502 62.8248 174.8711 9 K 4.1039 8.1437 120.8973 56.8431 32.4812 176.9646 10 G 4.0405 8.6273 106.7934 45.6078 0.0000 172.1086 11 C 4.8432 9.1873 117.3253 54.3078 41.8972 173.7938 12 K 4.3805 8.5661 122.9136 57.0349 32.3640 176.3163 13 L 4.3611 8.7188 125.2985 54.3280 42.6938 176.2303 14 S 5.4055 9.1444 123.1759 58.6113 63.4707 172.9040 15 C 5.5454 8.8012 117.8425 53.8335 43.8188 174.0660 16 V 4.1171 8.9811 118.4916 61.3648 33.2955 175.7487 17 A 4.7922 7.6802 121.2445 49.5175 23.4597 176.4455 18 N 4.4387 8.7351 119.6396 56.3400 38.8368 177.4332 19 N 4.3056 8.3194 118.0984 56.3910 37.1599 175.9732 20 Y 4.3740 8.1826 121.2300 60.9496 38.8265 178.9107 21 C 3.8774 7.7244 116.1114 59.6667 40.7372 175.2133 22 D 4.4926 8.3822 121.5166 56.8206 40.7142 178.1191 23 N 4.2446 8.1493 116.8990 56.9770 38.8402 175.9620 24 Q 3.8633 7.6489 119.0878 59.7955 29.2289 177.6998 25 C 4.1264 8.5691 117.1907 60.1092 40.0072 176.0301 26 K 3.9037 7.9388 120.7181 60.3120 31.4779 178.4249 27 M 4.0678 7.9040 116.8273 57.9589 31.7873 177.7406 28 K 4.3407 7.9289 117.4004 55.4904 32.7263 176.3721 29 K 3.7071 8.1664 118.4822 57.7255 30.7912 175.1893 30 A 4.6210 7.8772 118.0006 50.2638 21.6097 176.7196 31 S 4.4135 9.2178 114.4689 58.6634 64.8450 174.6867 32 G 4.0084 8.0008 108.1292 44.1266 0.0000 170.5644 33 G 4.4694 8.0630 111.8880 45.0505 0.0000 169.4775 34 H 4.9604 8.7489 120.2814 54.9703 32.8139 171.5131 35 C 5.1117 9.2679 119.4713 55.2966 40.6386 172.1721 36 Y 4.5403 8.9253 126.7889 57.1580 41.7015 174.2458 37 A 3.8419 9.3420 127.1721 53.8391 16.5052 177.3081 38 M 3.2979 8.3457 114.8037 57.4080 30.2440 176.5159 39 S 5.2080 8.4400 114.6340 56.6389 66.8356 172.8400 40 C 4.7824 9.4685 124.4843 56.9335 45.2111 171.7336 41 Y 4.7564 8.7492 125.6457 56.1290 41.9877 172.9560 42 C 5.1913 7.9472 123.7326 54.9703 42.0479 172.6077 43 E 4.4344 8.7256 124.0433 57.5618 30.8791 175.4263 44 G 4.0221 8.6464 115.9690 45.2270 0.0000 173.0482 45 L 4.0884 7.7136 120.6392 53.5661 42.3163 175.2584 46 P 4.4321 0.0000 0.0000 62.3596 31.9046 177.2010 47 E 3.9507 8.7652 121.0169 58.3480 29.6533 177.0467 48 N 4.8797 7.8755 114.2912 52.6148 37.7018 174.5817 49 A 4.0933 7.8615 121.5159 52.6460 19.2749 178.6364 50 K 4.4113 8.2766 121.7117 55.3030 32.2808 175.5293 51 V 5.5957 7.8320 118.3435 58.4429 36.3950 174.3770 52 S 4.6562 8.7316 116.6666 57.0163 63.3228 173.1858 53 D 4.9919 8.6139 126.3661 52.9342 39.9246 176.2506 54 S 4.5128 7.7408 112.7565 58.1015 65.8863 174.1825 55 A 4.1758 8.6095 125.9920 53.0959 18.8027 177.6337 56 T 4.5763 7.2971 110.9850 61.8440 68.8508 172.5275 57 N 4.8657 7.6941 119.6988 51.0298 40.2662 175.5576 58 I 4.3880 7.8120 118.3153 59.5551 39.6077 175.7570 59 C 4.4570 8.8874 126.3538 54.6397 44.3278 173.5770 60 G 3.4876 8.8085 114.6661 45.6149 0.0000 172.3191 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 K 8.17 4.32 0.00 1.82 1.98 0.00 1.42 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.62 1.41 7.81 2 D 8.68 4.76 0.00 2.81 2.48 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 3 G 6.53 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 4 Y 8.17 5.19 0.00 3.03 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 5 P 0.00 4.91 0.00 2.09 2.11 0.00 3.86 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.90 0.00 6 V 8.40 5.60 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 0.89 0.00 0.00 0.99 0.00 0.00 7 D 8.25 4.79 0.00 2.92 2.86 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 0.00 0.00 0.00 8 S 8.60 4.14 0.00 4.00 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 9 K 8.14 4.10 0.00 1.74 2.01 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.38 1.43 7.81 10 G 8.63 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 11 C 9.19 4.84 0.00 3.18 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 12 K 8.57 4.38 0.00 1.74 1.80 0.00 1.49 0.00 0.00 1.46 0.00 0.00 2.98 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.46 1.53 7.81 13 L 8.72 4.36 0.00 1.89 1.60 1.03 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 14 S 9.14 5.41 0.00 3.87 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 15 C 8.80 5.55 0.00 3.03 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 16 V 8.98 4.12 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 0.79 0.00 0.00 0.95 0.00 0.00 17 A 7.68 4.79 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 18 N 8.74 4.44 0.00 2.79 2.93 0.00 0.00 6.67 6.93 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 19 N 8.32 4.31 0.00 2.96 3.15 0.00 0.00 5.86 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 8.18 4.37 0.00 3.03 3.28 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 21 C 7.72 3.88 0.00 3.19 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 22 D 8.38 4.49 0.00 2.88 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 23 N 8.15 4.24 0.00 2.87 2.86 0.00 0.00 6.98 7.27 0.00 0.00 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 Q 7.65 3.86 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.65 0.00 0.00 0.00 0.00 0.00 2.21 2.39 0.00 25 C 8.57 4.13 0.00 3.09 3.03 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 26 K 7.94 3.90 0.00 1.91 2.04 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.50 7.81 27 M 7.90 4.07 0.00 2.03 2.31 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.59 0.00 28 K 7.93 4.34 0.00 1.78 1.75 0.00 1.77 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.48 7.81 29 K 8.17 3.71 0.00 1.84 1.85 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.35 7.81 30 A 7.88 4.62 1.11 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 31 S 9.22 4.41 0.00 3.80 3.96 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 0.00 0.00 0.00 0.00 32 G 8.00 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 0.00 0.00 0.00 33 G 8.06 4.47 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 0.00 0.00 0.00 34 H 8.75 4.96 0.00 3.43 3.47 0.00 5.25 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 C 9.27 5.11 0.00 3.20 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 36 Y 8.93 4.54 0.00 3.22 2.83 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 37 A 9.34 3.84 1.47 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 0.00 0.00 38 M 8.35 3.30 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.56 0.00 39 S 8.44 5.21 0.00 3.89 3.79 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 0.00 0.00 0.00 40 C 9.47 4.78 0.00 3.03 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 41 Y 8.75 4.76 0.00 2.79 2.42 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 42 C 7.95 5.19 0.00 2.60 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 43 E 8.73 4.43 0.00 2.08 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 2.18 2.54 0.00 44 G 8.65 4.02 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 0.00 0.00 0.00 45 L 7.71 4.09 0.00 1.73 1.54 0.73 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 46 P 0.00 4.43 0.00 2.46 2.14 0.00 3.64 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.91 0.00 47 E 8.77 3.95 0.00 1.93 2.01 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 2.28 2.29 0.00 48 N 7.88 4.88 0.00 2.81 2.83 0.00 0.00 6.03 7.25 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 49 A 7.86 4.09 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 50 K 8.28 4.41 0.00 1.89 1.72 0.00 1.55 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.52 7.81 51 V 7.83 5.60 2.26 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 0.81 0.00 0.00 0.93 0.00 0.00 52 S 8.73 4.66 0.00 3.91 3.81 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 53 D 8.61 4.99 0.00 2.85 2.76 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 0.00 0.00 0.00 54 S 7.74 4.51 0.00 4.00 3.95 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 0.00 0.00 0.00 0.00 55 A 8.61 4.18 1.23 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 0.00 0.00 0.00 56 T 7.30 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 1.19 0.00 0.00 57 N 7.69 4.87 0.00 2.79 2.76 0.00 0.00 6.11 7.79 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 58 I 7.81 4.39 1.86 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 1.29 0.53 0.91 0.00 0.00 59 C 8.89 4.46 0.00 2.93 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 60 G 8.81 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00