NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 R 4.2556 8.2544 119.7053 54.5679 30.4022 172.4741 14 S 4.1987 6.5593 119.5908 54.1099 68.6523 175.1525 15 N 4.8216 7.9311 118.9569 53.8726 40.1515 176.3772 16 A 3.9665 7.8874 122.8154 54.9305 18.5009 179.2278 17 E 3.9156 8.0691 115.6961 59.7487 29.6711 179.3052 18 I 3.7893 7.5769 120.2829 63.7756 37.2917 178.3756 19 V 3.5748 8.6856 120.5889 65.9587 31.3389 177.7030 20 C 4.1362 8.4875 119.0464 62.2979 31.3643 175.1638 21 E 3.9693 8.3984 120.8086 58.8264 29.0556 178.6680 22 A 3.9475 8.2092 121.4697 54.9787 18.3411 178.9947 23 I 3.5850 7.8489 116.8973 64.2865 37.7493 177.8474 24 K 3.9112 7.8589 118.5639 60.0480 32.2339 178.5578 25 T 3.9785 7.7753 114.6271 64.7770 68.5281 175.6912 26 I 3.8757 8.5008 120.9589 62.2576 36.2821 177.2351 27 G 4.4898 4.0000 121.6287 45.2606 0.0000 173.1935 28 I 3.9358 6.8366 113.6571 60.0830 40.0100 177.4239 29 E 4.1074 8.4237 120.5925 57.1929 30.0931 177.8051 30 G 3.8013 6.9527 104.2619 47.2570 0.0000 173.6238 31 A 4.6149 8.7736 121.9106 50.5290 18.9014 176.5221 32 T 4.7275 8.2870 115.9553 60.7843 68.9493 173.8773 33 A 4.2397 8.1766 122.4974 53.8305 17.8786 179.2529 34 A 3.9426 7.9201 119.6095 55.7541 19.0947 179.0359 35 Q 3.4561 8.5876 111.3942 59.9340 28.5616 179.3963 36 L 4.1138 7.4966 120.4271 59.0466 42.0147 179.7254 37 T 3.8204 8.1191 115.2548 66.4750 68.0761 175.9935 38 R 4.1278 8.5285 120.4904 58.7076 30.6215 177.9573 39 Q 4.1588 8.0948 116.6110 58.7011 28.7165 176.4629 40 L 4.4751 7.9445 118.4387 54.5237 42.1095 176.3124 41 N 4.5137 7.5021 126.5615 51.9168 42.9184 176.9212 42 M 5.2671 7.4509 130.3091 56.5814 35.5619 175.8578 43 E 4.4362 7.4159 116.4167 55.3581 29.2747 178.4111 44 K 4.1736 7.8461 119.7688 59.2199 32.4638 179.0038 45 R 3.8489 7.9066 118.8456 59.6800 30.1427 178.1920 46 E 4.0584 8.0691 117.9636 59.0641 29.7244 179.4179 47 V 3.8516 8.3330 119.5485 64.3501 31.3289 178.3271 48 N 4.3456 8.2201 117.7537 56.1186 38.7305 177.2694 49 K 4.0468 8.0419 120.6790 59.3131 32.1738 178.7661 50 A 3.9484 8.4262 121.4364 55.2210 18.4100 179.4988 51 L 3.3033 7.6156 117.4611 57.7496 41.4037 179.3466 52 Y 4.0839 8.5708 119.7279 60.7355 38.8106 177.2170 53 D 3.9643 8.3306 118.8672 57.5135 41.3692 178.4387 54 L 3.9621 8.3710 119.5131 57.6694 41.2870 179.3173 55 Q 4.2001 7.9572 119.1868 58.9474 29.1175 177.7673 56 R 4.1537 7.7092 117.8688 57.6830 30.3996 178.4332 57 S 4.2255 7.8630 113.8173 59.1093 63.2628 175.0262 58 A 4.0100 7.9993 122.6078 52.5219 16.6381 178.6655 59 M 4.3009 8.0705 119.7732 58.3469 32.2935 177.1531 60 V 4.8678 7.7472 109.3140 59.7646 35.7040 174.0755 61 Y 5.1467 9.3166 119.1267 56.6617 41.7395 174.2374 62 S 4.8330 8.4499 113.0851 57.1389 65.4369 175.1950 63 S 3.5635 7.8453 118.6387 58.6526 63.1811 174.8127 64 D 4.3863 9.1917 116.7544 54.4127 38.7903 172.5432 65 D 4.4178 7.3288 112.9183 53.1038 43.8763 174.3496 66 I 4.2373 8.0070 123.7832 59.3769 38.2389 174.4496 67 P 4.4900 0.0000 0.0000 61.2551 32.5276 173.7644 68 P 4.2916 0.0000 0.0000 62.7047 32.5093 175.4068 69 R 4.6557 8.0324 123.0854 53.7981 34.1026 174.5217 70 W 4.7996 9.1202 124.2313 56.6759 30.4535 175.6910 71 F 5.3758 9.1867 125.6577 56.0083 42.3874 174.3182 72 M 4.6361 8.7186 117.4781 54.6374 31.0139 173.7195 73 T 2.0000 8.4041 122.8721 61.4538 68.0027 171.7089 74 T 3.9744 7.6877 117.3711 62.7271 68.3831 171.7571 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 13 R 8.25 4.26 0.00 1.81 1.98 0.00 3.38 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 14 S 6.56 4.20 0.00 3.84 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 15 N 7.93 4.82 0.00 2.88 2.98 0.00 0.00 5.82 7.43 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 16 A 7.89 3.97 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 17 E 8.07 3.92 0.00 2.24 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 2.42 2.45 0.00 18 I 7.58 3.79 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 1.52 0.79 0.91 0.00 0.00 19 V 8.69 3.57 2.23 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 1.07 0.00 0.00 0.87 0.00 0.00 20 C 8.49 4.14 0.00 3.22 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.40 3.97 0.00 2.32 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 2.32 0.00 22 A 8.21 3.95 1.40 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 0.00 0.00 0.00 23 I 7.85 3.59 1.98 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.65 0.99 0.00 0.00 24 K 7.86 3.91 0.00 2.05 1.80 0.00 1.86 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.46 7.81 25 T 7.78 3.98 4.52 0.00 0.00 0.00 0.00 0.00 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 26 I 8.50 3.88 2.02 0.00 0.00 0.90 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 0.70 0.92 0.00 0.00 27 G 4.00 4.49 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 28 I 6.84 3.94 1.83 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 1.31 0.81 0.86 0.00 0.00 29 E 8.42 4.11 0.00 1.96 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 0.00 2.34 2.44 0.00 30 G 6.95 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 31 A 8.77 4.61 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 32 T 8.29 4.73 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 1.32 0.00 0.00 33 A 8.18 4.24 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 34 A 7.92 3.94 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 35 Q 8.59 3.46 0.00 2.31 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.78 0.00 0.00 0.00 0.00 0.00 2.53 2.52 0.00 36 L 7.50 4.11 0.00 1.74 1.74 1.03 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.12 3.82 4.38 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 1.28 0.00 0.00 38 R 8.53 4.13 0.00 2.01 1.92 0.00 3.34 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 39 Q 8.09 4.16 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.86 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 40 L 7.94 4.48 0.00 1.76 1.62 0.93 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 41 N 7.50 4.51 0.00 2.75 2.86 0.00 0.00 7.11 7.54 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 42 M 7.45 5.27 0.00 2.10 2.13 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 2.38 2.30 0.00 43 E 7.42 4.44 0.00 2.02 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 44 K 7.85 4.17 0.00 1.80 1.90 0.00 1.69 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.53 7.81 45 R 7.91 3.85 0.00 1.86 1.91 0.00 3.16 0.00 0.00 3.33 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 46 E 8.07 4.06 0.00 2.03 1.95 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 2.38 2.35 0.00 47 V 8.33 3.85 2.25 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 0.99 0.00 0.00 0.88 0.00 0.00 48 N 8.22 4.35 0.00 3.08 2.91 0.00 0.00 6.49 8.10 0.00 0.00 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 K 8.04 4.05 0.00 1.96 1.81 0.00 1.29 0.00 0.00 1.55 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.52 7.81 50 A 8.43 3.95 1.25 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 0.00 0.00 51 L 7.62 3.30 0.00 1.77 1.16 0.46 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 52 Y 8.57 4.08 0.00 3.06 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 53 D 8.33 3.96 0.00 3.06 2.64 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 54 L 8.37 3.96 0.00 1.58 1.65 0.83 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 55 Q 7.96 4.20 0.00 2.60 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.71 0.00 0.00 0.00 0.00 0.00 2.52 2.48 0.00 56 R 7.71 4.15 0.00 1.49 1.79 0.00 3.11 0.00 0.00 2.94 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.53 0.00 57 S 7.86 4.23 0.00 4.02 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 58 A 8.00 4.01 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 M 8.07 4.30 0.00 2.07 2.17 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 2.68 0.00 60 V 7.75 4.87 2.39 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 0.89 0.00 0.00 1.21 0.00 0.00 61 Y 9.32 5.15 0.00 3.07 2.93 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 62 S 8.45 4.83 0.00 3.39 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 63 S 7.85 3.56 0.00 3.23 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 64 D 9.19 4.39 0.00 2.71 2.75 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 65 D 7.33 4.42 0.00 2.52 2.39 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 66 I 8.01 4.24 1.84 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 1.42 0.62 0.89 0.00 0.00 67 P 0.00 4.49 0.00 2.17 2.06 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 68 P 0.00 4.29 0.00 1.96 2.07 0.00 3.61 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.94 0.00 69 R 8.03 4.66 0.00 1.32 1.94 0.00 3.53 0.00 0.00 3.43 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 70 W 9.12 4.80 0.00 3.50 3.24 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 71 F 9.19 5.38 0.00 2.97 2.95 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 72 M 8.72 4.64 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 73 T 8.40 2.00 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 1.05 0.00 0.00 74 T 7.69 3.97 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 1.22 0.00 0.00