NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2443 8.3149 121.8010 56.1040 33.4655 175.1367 3 K 4.5999 8.2704 125.4324 55.6753 34.1188 174.0129 4 Y 5.0890 8.7254 119.5184 56.1299 42.7081 174.4548 5 V 4.9328 8.8603 122.4100 59.8188 34.6612 174.3371 6 C 3.4041 8.8471 125.6886 59.0472 32.0077 173.9276 7 T 4.2450 8.4721 116.2078 62.4019 69.0381 175.9428 8 V 3.8383 7.6432 122.4114 65.3494 31.8583 176.2432 9 C 4.6464 8.0682 110.2157 57.2483 31.0319 174.7111 10 G 3.9180 8.3524 108.8786 44.9121 0.0000 173.0571 11 Y 4.2531 7.8489 121.4158 58.0166 40.0618 174.4163 12 E 5.0145 7.9253 125.1757 54.5788 31.7537 174.8604 13 Y 4.2460 9.3484 127.5212 57.3656 40.3803 173.5417 14 D 4.6899 7.7574 126.5221 51.7698 42.9624 174.2807 15 P 4.4414 0.0000 0.0000 64.9034 31.8788 178.9898 16 A 4.1095 8.1559 121.5765 54.5263 18.4881 178.1228 17 E 4.2258 8.1044 114.5146 56.0566 30.9095 178.3198 18 G 4.1500 7.9018 106.6310 45.7736 0.0000 174.2148 19 D 4.9687 8.5919 111.4049 52.5730 42.9036 174.5850 20 P 4.4276 0.0000 0.0000 65.2202 31.9104 178.3376 21 D 4.5363 8.1809 115.1666 55.1047 39.5301 176.3058 22 N 4.8745 8.3458 117.0089 53.0733 38.8595 174.7997 23 G 3.7736 8.3889 105.4029 46.3959 0.0000 174.3331 24 V 4.2317 7.6780 119.9084 60.1423 32.6782 175.1087 25 K 4.4984 8.3287 126.7937 55.4503 33.5041 174.7466 26 P 4.1587 0.0000 0.0000 64.7361 31.5670 177.0318 27 G 3.9741 9.1625 111.0865 45.3609 0.0000 173.5792 28 T 4.2007 7.6772 118.4445 62.5077 69.2635 174.8627 29 S 4.5406 8.4750 121.0287 57.8304 64.1858 174.8017 30 F 3.3371 9.0539 123.9663 61.4118 39.0547 177.1984 31 D 4.2020 7.9807 118.2510 56.5516 40.7489 176.5336 32 D 4.6568 7.3939 117.5309 53.6715 40.9688 176.6785 33 L 3.7222 6.7303 119.7094 53.5640 42.1800 175.5027 34 P 4.2583 0.0000 0.0000 62.5290 31.9071 177.5187 35 A 3.9212 8.5601 123.9505 54.9460 18.3901 178.2555 36 D 4.7302 7.8725 112.5346 52.7580 39.9534 176.3893 37 W 4.1453 7.9725 130.5352 57.7092 31.1328 175.4109 38 V 4.3896 6.8795 116.7391 58.7041 35.0811 174.9147 39 C 3.7324 8.5533 121.9404 59.3120 31.5397 173.0159 40 P 4.0004 0.0000 0.0000 64.6285 31.5372 177.5451 41 V 3.8072 7.2855 118.5036 64.5715 31.7747 175.9972 42 C 4.6302 7.8698 110.5881 56.8858 30.9641 174.8089 43 G 3.7929 8.3328 108.3036 44.8651 0.0000 173.6670 44 A 4.1921 7.5902 123.0901 51.1433 19.3676 175.4113 45 P 4.8168 0.0000 0.0000 62.1549 32.7031 177.7264 46 K 4.2213 8.9158 120.3617 59.8285 32.1196 179.1856 47 S 4.4335 8.2549 111.2177 60.2160 63.1699 174.3180 48 E 4.6815 8.6381 120.8189 56.3086 29.5609 175.0859 49 F 5.2977 8.4489 118.1222 56.4756 40.7015 175.0761 50 E 4.9869 9.0707 118.4915 54.0522 33.2470 174.8725 51 A 3.4147 8.5238 122.5384 51.8765 19.1920 177.4186 52 A 4.2207 8.2671 123.0791 51.9623 18.9395 176.0355 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 2 K 8.31 4.24 0.00 1.76 1.98 0.00 1.56 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.17 1.24 7.81 3 K 8.27 4.60 0.00 1.78 1.68 0.00 1.60 0.00 0.00 1.77 0.00 0.00 2.82 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.46 1.51 7.81 4 Y 8.73 5.09 0.00 2.63 2.62 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 0.00 0.00 0.00 5 V 8.86 4.93 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 0.80 0.00 0.00 0.97 0.00 0.00 6 C 8.85 3.40 0.00 2.32 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 7 T 8.47 4.24 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 1.22 0.00 0.00 8 V 7.64 3.84 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 0.92 0.00 0.00 0.93 0.00 0.00 9 C 8.07 4.65 0.00 3.08 2.97 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 0.00 10 G 8.35 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 11 Y 7.85 4.25 0.00 3.15 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 12 E 7.93 5.01 0.00 1.67 1.73 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 2.16 2.35 0.00 13 Y 9.35 4.25 0.00 3.57 3.16 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 14 D 7.76 4.69 0.00 2.56 2.29 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 15 P 0.00 4.44 0.00 2.14 2.36 0.00 3.89 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.21 0.00 16 A 8.16 4.11 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 8.10 4.23 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 18 G 7.90 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.59 4.97 0.00 3.22 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 20 P 0.00 4.43 0.00 2.27 2.13 0.00 3.74 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.13 0.00 21 D 8.18 4.54 0.00 2.79 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 22 N 8.35 4.87 0.00 3.14 2.98 0.00 0.00 6.90 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 23 G 8.39 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.68 4.23 2.41 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 1.10 0.00 0.00 0.96 0.00 0.00 25 K 8.33 4.50 0.00 1.99 1.94 0.00 1.59 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.49 1.47 7.81 26 P 0.00 4.16 0.00 2.07 2.23 0.00 3.67 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.27 0.00 27 G 9.16 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 0.00 0.00 0.00 0.00 28 T 7.68 4.20 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 1.12 0.00 0.00 29 S 8.47 4.54 0.00 4.06 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 30 F 9.05 3.34 0.00 2.96 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 31 D 7.98 4.20 0.00 2.67 2.65 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 0.00 0.00 0.00 0.00 32 D 7.39 4.66 0.00 2.68 2.56 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 0.00 0.00 0.00 0.00 33 L 6.73 3.72 0.00 0.82 0.80 -1.52 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.26 0.00 2.30 1.97 0.00 3.42 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.04 0.00 35 A 8.56 3.92 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 36 D 7.87 4.73 0.00 2.78 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.97 4.15 0.00 3.13 2.96 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 38 V 6.88 4.39 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 0.84 0.00 0.00 0.65 0.00 0.00 39 C 8.55 3.73 0.00 3.26 2.96 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 40 P 0.00 4.00 0.00 2.00 1.94 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.87 0.00 41 V 7.29 3.81 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 0.95 0.00 0.00 0.92 0.00 0.00 42 C 7.87 4.63 0.00 3.04 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 43 G 8.33 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 0.00 0.00 0.00 44 A 7.59 4.19 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 45 P 0.00 4.82 0.00 2.33 2.24 0.00 3.89 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.04 0.00 46 K 8.92 4.22 0.00 1.85 1.88 0.00 0.90 0.00 0.00 1.61 0.00 0.00 2.77 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.71 7.81 47 S 8.25 4.43 0.00 4.06 4.07 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 48 E 8.64 4.68 0.00 2.28 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 2.30 2.34 0.00 49 F 8.45 5.30 0.00 3.17 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 50 E 9.07 4.99 0.00 1.99 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 2.16 2.19 0.00 51 A 8.52 3.41 0.82 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 0.00 0.00 52 A 8.27 4.22 1.10 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 0.00 0.00 0.00 0.00 0.00 0.00