NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 A 4.2928 8.2493 123.5812 51.0296 19.6594 176.5103 7 P 4.5381 0.0000 0.0000 60.6966 31.9519 175.3817 8 D 4.7546 8.7364 123.7906 51.9687 43.9449 177.4350 9 F 4.0198 8.6893 119.7672 62.3637 39.2046 176.8821 10 H 4.4314 8.2687 115.0906 59.2274 28.3961 177.3977 11 D 4.2808 8.5080 120.4441 57.3994 40.4943 179.0259 12 K 3.6967 7.4983 117.6017 58.4929 32.2218 177.5747 13 Y 4.6608 7.9102 115.0557 57.4164 40.4779 177.8772 14 G 4.0582 8.2819 107.5847 48.3036 0.0000 175.4003 15 N 4.3484 8.1746 118.1218 55.7633 38.5841 177.3460 16 A 3.9543 7.9058 121.6930 55.1298 18.6969 179.3879 17 V 3.5755 7.9014 116.8996 66.1989 31.4678 177.8526 18 L 3.9355 8.2297 119.6453 58.3730 41.9354 178.4177 19 A 4.0228 7.9563 120.6848 55.5342 18.3988 179.7891 20 S 4.2771 8.5917 112.1168 60.9838 63.1949 176.9086 21 G 3.6652 8.2710 109.7713 47.6317 0.0000 175.7094 22 A 4.0604 8.3341 123.3717 55.2456 18.5048 179.8074 23 T 3.8854 8.1848 114.4569 66.6852 68.4435 176.5735 24 F 4.2591 8.4215 122.4827 61.4919 39.5161 176.3575 25 C 3.7345 7.9874 117.9115 62.6731 31.1920 176.0223 26 V 3.5223 7.6991 118.6060 65.9837 31.2033 177.6213 27 A 4.0482 8.0079 120.7845 55.3862 18.1420 180.0418 28 V 3.6133 7.8572 117.5819 64.7139 31.5471 178.7020 29 W 4.0661 8.3777 119.6157 59.1338 28.7430 178.8469 30 V 3.6739 8.2451 118.7789 65.9589 30.9121 177.3579 31 Y 4.0279 8.0947 119.3349 60.9569 38.4560 177.6019 32 M 3.8918 8.2926 117.7111 58.8638 32.4183 177.9305 33 A 4.7088 8.2533 119.1195 54.4350 18.6541 177.8927 34 T 4.6245 7.7559 103.9508 61.1123 70.1968 174.6219 35 Q 4.4826 8.1486 120.4976 55.4793 29.1799 175.6957 36 I 4.3463 7.4190 108.1967 59.9534 38.5612 175.2422 37 G 3.7102 8.1650 107.8640 46.7197 0.0000 173.5973 38 I 3.7588 7.4670 119.4964 59.6962 38.1436 175.4113 39 E 4.2704 8.0745 125.8022 54.3875 29.4888 175.5636 40 W 4.2073 8.6156 127.5423 57.6463 30.0706 176.1291 41 N 4.1062 8.0635 115.8431 53.9248 36.5306 170.5625 42 P 4.6189 0.0000 0.0000 61.8720 33.3278 176.3655 43 S 4.3590 8.2805 112.7357 57.5022 63.0084 172.4977 44 P 4.3008 0.0000 0.0000 65.0084 31.4684 176.5742 45 V 3.5842 7.7847 117.3195 64.6166 31.2540 176.1508 46 G 4.1056 9.0592 115.6618 45.4123 0.0000 173.6741 47 R 4.4256 8.3492 114.6407 56.0866 31.3824 176.3390 48 V 4.1438 7.5006 117.3563 61.2675 32.8671 175.0675 49 T 4.3459 8.2633 123.8752 61.3596 68.2073 172.9380 50 P 4.3186 0.0000 0.0000 62.6638 31.9207 176.0520 51 K 4.6736 8.2745 122.6777 53.9663 34.7694 175.4285 52 E 4.0977 8.7656 123.7005 56.4501 29.7622 176.8666 53 W 4.6282 8.0481 119.8462 57.0075 30.4633 175.6180 54 R 3.0132 6.0510 122.4679 55.9326 29.2966 175.7250 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 6 A 8.25 4.29 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.54 0.00 2.19 2.03 0.00 3.34 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 1.94 1.92 0.00 8 D 8.74 4.75 0.00 2.93 2.89 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 9 F 8.69 4.02 0.00 3.23 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 10 H 8.27 4.43 0.00 3.41 3.43 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.51 4.28 0.00 2.77 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 12 K 7.50 3.70 0.00 0.79 0.74 0.00 1.32 0.00 0.00 1.35 0.00 0.00 2.90 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.17 1.35 7.81 13 Y 7.91 4.66 0.00 2.05 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 14 G 8.28 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 0.00 0.00 0.00 15 N 8.17 4.35 0.00 2.74 2.88 0.00 0.00 6.99 8.05 0.00 0.00 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 7.91 3.95 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 17 V 7.90 3.58 2.33 0.00 0.00 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 1.13 0.00 0.00 18 L 8.23 3.94 0.00 1.95 1.81 0.95 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 19 A 7.96 4.02 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 20 S 8.59 4.28 0.00 4.09 4.17 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 0.00 0.00 0.00 0.00 21 G 8.27 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.33 4.06 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.18 3.89 4.32 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 1.27 0.00 0.00 24 F 8.42 4.26 0.00 3.16 3.36 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 25 C 7.99 3.73 0.00 3.08 3.06 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 26 V 7.70 3.52 2.10 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 1.05 0.00 0.00 0.94 0.00 0.00 27 A 8.01 4.05 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 28 V 7.86 3.61 1.65 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 0.69 0.00 0.00 0.80 0.00 0.00 29 W 8.38 4.07 0.00 3.48 3.37 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 30 V 8.25 3.67 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 1.06 0.00 0.00 0.98 0.00 0.00 31 Y 8.09 4.03 0.00 3.15 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 32 M 8.29 3.89 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 33 A 8.25 4.71 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.76 4.62 4.26 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 1.25 0.00 0.00 35 Q 8.15 4.48 0.00 1.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.90 0.00 0.00 0.00 0.00 0.00 2.12 2.33 0.00 36 I 7.42 4.35 1.77 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.53 0.68 0.00 0.00 37 G 8.17 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.47 3.76 1.40 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.42 -0.15 0.00 0.00 39 E 8.07 4.27 0.00 1.79 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 2.18 2.34 0.00 40 W 8.62 4.21 0.00 3.37 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 41 N 8.06 4.11 0.00 2.77 2.86 0.00 0.00 7.25 7.55 0.00 0.00 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 P 0.00 4.62 0.00 2.25 2.13 0.00 3.90 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 43 S 8.28 4.36 0.00 3.86 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 44 P 0.00 4.30 0.00 2.22 2.09 0.00 3.69 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 2.11 2.07 0.00 45 V 7.78 3.58 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 0.77 0.00 0.00 0.93 0.00 0.00 46 G 9.06 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 47 R 8.35 4.43 0.00 1.86 2.03 0.00 3.07 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 48 V 7.50 4.14 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 0.88 0.00 0.00 0.94 0.00 0.00 49 T 8.26 4.35 4.26 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 1.23 0.00 0.00 50 P 0.00 4.32 0.00 2.08 2.05 0.00 3.65 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 51 K 8.27 4.67 0.00 1.72 1.72 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.44 7.81 52 E 8.77 4.10 0.00 1.97 1.79 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 2.31 2.21 0.00 53 W 8.05 4.63 0.00 3.62 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 54 R 6.05 3.01 0.00 0.67 0.96 0.00 2.95 0.00 0.00 3.05 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.18 0.00