NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.7658 8.3033 116.3224 55.3067 29.5845 175.3911 2 S 3.7634 8.7432 111.8761 59.4588 62.5770 173.3314 3 Q 4.3973 8.0140 116.2451 55.7625 30.4148 174.6657 4 G 3.8981 7.4527 110.7889 45.8414 0.0000 169.2090 5 T 3.6845 9.0569 116.1409 62.0277 70.1905 171.6640 6 F 4.7990 8.4587 126.0804 58.6473 44.9477 175.0243 7 T 4.3589 8.1199 109.1234 62.6460 70.2669 174.8022 8 S 4.6560 7.8122 118.4268 57.5052 64.6427 173.0055 9 D 4.4340 8.2523 128.5177 53.8188 47.3800 177.2729 10 Y 3.9916 5.8669 119.5188 59.9081 39.3526 175.5676 11 S 3.3647 7.4267 114.6928 59.9326 62.9195 175.8716 12 K 4.6345 7.7738 123.2497 57.4600 32.4360 177.9121 13 Y 3.7091 7.9866 119.4931 60.4456 38.4544 177.9877 14 L 4.0768 7.9076 121.0160 58.3339 42.4166 178.4158 15 D 4.3677 7.5169 118.0245 56.7729 40.3681 178.7865 16 S 4.2045 8.7812 117.1209 61.0049 62.4005 176.3220 17 K 4.0351 8.1219 121.1381 58.4268 31.8045 178.8297 18 K 4.2352 8.0580 117.0982 57.7726 32.1632 178.6155 19 A 4.2837 7.6924 121.6937 55.1221 18.7489 179.5882 20 Q 4.0322 7.7825 115.9812 58.9987 28.5720 179.2023 21 E 4.0360 7.9532 118.7727 59.3344 29.5862 178.8864 22 F 4.1646 8.1737 120.2028 60.6656 39.2135 176.7127 23 V 4.0240 7.6705 110.5029 62.5721 32.7365 177.3479 24 Q 4.0465 8.4278 119.0759 58.5219 28.8119 177.9564 25 W 4.2630 8.7396 129.2878 59.3665 32.1144 178.4805 26 L 3.6694 8.2488 118.5212 52.9384 39.5920 177.6426 27 M 3.9508 7.5003 124.7658 53.3957 33.2202 174.9594 28 N 3.8055 7.3479 111.9686 55.9132 37.9843 174.1112 29 T 3.7560 7.9140 112.1848 61.5868 70.2259 172.8947 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 H 8.30 4.77 0.00 3.37 2.73 0.00 5.66 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 S 8.74 3.76 0.00 4.08 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 3 Q 8.01 4.40 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.43 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 4 G 7.45 3.90 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 0.00 0.00 0.00 5 T 9.06 3.68 4.33 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 0.00 0.00 0.00 1.24 0.00 0.00 6 F 8.46 4.80 0.00 3.09 3.05 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 0.00 0.00 0.00 0.00 7 T 8.12 4.36 4.27 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 1.30 0.00 0.00 8 S 7.81 4.66 0.00 3.90 3.91 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 9 D 8.25 4.43 0.00 2.68 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 0.00 0.00 0.00 10 Y 5.87 3.99 0.00 2.74 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 11 S 7.43 3.36 0.00 3.67 3.62 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 12 K 7.77 4.63 0.00 1.80 1.82 0.00 1.52 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.48 7.81 13 Y 7.99 3.71 0.00 3.04 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 14 L 7.91 4.08 0.00 1.64 1.75 0.92 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 15 D 7.52 4.37 0.00 2.72 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.78 4.20 0.00 3.81 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 17 K 8.12 4.04 0.00 1.86 1.80 0.00 1.58 0.00 0.00 1.33 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.16 7.81 18 K 8.06 4.24 0.00 1.82 1.85 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.33 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.59 7.81 19 A 7.69 4.28 1.42 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 0.00 0.00 20 Q 7.78 4.03 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 21 E 7.95 4.04 0.00 2.31 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 0.00 2.39 2.35 0.00 22 F 8.17 4.16 0.00 3.10 3.23 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 23 V 7.67 4.02 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 0.88 0.00 0.00 1.05 0.00 0.00 24 Q 8.43 4.05 0.00 2.19 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.87 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 25 W 8.74 4.26 0.00 3.38 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 26 L 8.25 3.67 0.00 1.31 1.36 0.64 1.01 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 27 M 7.50 3.95 0.00 2.02 1.72 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.17 0.00 28 N 7.35 3.81 0.00 3.16 2.75 0.00 0.00 7.47 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 T 7.91 3.76 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 1.18 0.00 0.00