NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 N 4.7297 8.4249 118.2254 52.2719 39.0470 174.0986 7 S 4.2683 7.9280 115.0427 58.1111 63.7491 172.0168 8 D 4.8984 8.3879 121.6586 54.6665 42.8669 175.0642 9 F 5.3313 7.9122 113.8839 55.5760 41.4261 173.9346 10 V 4.5511 8.8592 112.9463 59.6032 34.8832 174.8005 11 V 4.8215 8.7347 124.2868 61.3318 33.9149 174.4456 12 I 4.8577 9.1288 128.3780 59.5010 40.5769 174.2259 13 K 4.9879 9.0351 129.6187 54.1877 34.1522 175.1823 14 A 4.3972 8.7060 130.8627 52.4260 18.9849 177.3990 15 L 4.6705 9.1209 122.6798 54.7646 42.5026 176.1138 16 E 4.6902 7.7015 115.5395 54.7110 32.4090 174.4477 17 D 4.3720 8.3370 119.4698 55.7320 41.3127 177.1404 18 G 3.8946 8.7509 110.4594 45.2492 0.0000 173.8875 19 V 3.8523 7.4061 120.1886 63.2558 32.8598 174.4852 20 N 5.2620 9.1108 124.6216 51.5380 41.2403 173.7440 21 V 4.4821 8.8194 125.1519 61.4626 33.3275 174.1988 22 I 4.6092 8.5356 130.5058 59.5560 39.1942 175.2718 23 G 4.0972 8.7480 115.2229 45.2769 0.0000 172.4432 24 L 5.5161 8.7016 125.2615 53.1249 44.1206 176.1773 25 T 4.6254 8.7374 114.2770 61.5773 69.5137 174.3169 26 R 4.2018 7.7708 126.4901 56.1270 30.8295 175.7273 27 G 3.8072 8.8152 111.1434 43.7947 0.0000 172.8455 28 A 4.0534 8.4838 121.9536 54.4337 18.5964 177.6360 29 D 4.7462 7.8715 114.7049 53.2740 42.4452 175.2867 30 T 4.8265 8.3295 122.5004 61.8165 70.9016 173.3512 31 R 4.6230 8.6755 121.7252 54.7859 33.5872 174.1162 32 F 5.2317 8.5631 119.0648 57.9571 39.1227 175.2678 33 H 5.0098 9.1787 117.9546 56.0573 30.5152 173.7405 34 H 4.7444 7.6605 117.4556 55.1171 33.3115 172.0717 35 S 4.7470 8.2366 119.4416 56.4534 64.7477 172.4348 36 E 4.3762 9.2070 130.0402 54.8707 30.8382 174.6257 37 K 4.8187 8.6135 128.9879 55.5848 33.2775 175.4362 38 L 4.9499 9.1953 127.6729 53.2175 44.6842 175.8267 39 D 4.9650 9.8288 123.6566 51.9312 43.9745 175.8574 40 K 3.9984 8.9058 121.6972 58.5326 32.3665 176.2290 41 G 4.0980 8.9179 114.9240 45.3914 0.0000 173.8294 42 E 4.2089 8.0126 118.7939 56.4907 30.7510 176.3660 43 V 4.9196 8.2480 121.3919 61.0287 34.6991 174.2657 44 L 4.7562 9.1273 129.3990 53.2541 45.1144 174.9545 45 I 5.0311 8.5369 126.3351 59.6927 39.0635 174.5247 46 A 4.7368 9.0609 129.6213 50.0535 21.7374 175.2835 47 Q 4.8456 8.5956 120.8492 54.7999 30.5351 175.8000 48 F 4.6596 8.4809 120.5728 58.0175 39.8429 175.0248 49 T 4.7206 8.8267 111.5065 60.0147 71.9849 173.1420 50 E 4.0003 8.9517 121.3032 59.4369 29.6072 177.2984 51 H 4.5880 8.1710 113.9394 56.3246 29.8678 174.1250 52 T 5.2061 8.5385 117.5031 61.9033 70.4422 174.5435 53 S 5.0055 9.0034 119.7242 58.0618 64.9392 173.4428 54 A 5.0052 7.9080 121.3888 51.1314 22.6242 175.1228 55 I 4.9602 8.5354 120.5173 59.3570 40.6109 174.7073 56 K 4.5629 8.9784 128.3970 54.4866 34.7433 174.6212 57 V 4.7573 8.3508 126.6242 61.0760 33.6110 174.4156 58 R 4.4734 9.0323 128.2769 55.3777 32.6993 174.6833 59 G 4.1907 9.0910 112.1713 43.6900 0.0000 172.7479 60 K 4.4729 9.4729 121.5507 56.3359 33.1133 175.6450 61 A 5.0320 8.7390 127.2020 51.1285 23.3800 173.8835 62 Y 4.8422 9.1311 122.3623 56.2324 40.6971 174.5597 63 I 5.0561 8.3773 127.1642 59.5460 41.1242 174.3655 64 Q 5.0442 9.0953 125.1386 54.4017 32.0014 174.8658 65 T 4.7285 8.4120 113.1313 59.5565 72.2398 174.6016 66 R 3.7436 8.4808 120.1971 59.2400 30.0676 176.6590 67 H 4.6536 7.7750 113.2230 55.3741 29.5045 173.7303 68 G 3.8007 7.6885 105.9655 44.0280 0.0000 173.1673 69 V 4.5401 8.0329 112.2674 60.6144 33.0564 175.6512 70 I 4.5947 8.4238 122.8894 59.6196 42.0151 173.1900 71 E 5.1190 8.5732 125.8472 54.4815 32.4178 175.7357 72 S 4.6442 8.7579 119.1799 57.5912 65.3043 172.7966 73 E 4.9033 8.5303 121.0405 54.1149 32.0441 176.3362 74 G 3.7450 8.7567 112.0876 45.9295 0.0000 173.0936 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 N 8.42 4.73 0.00 2.86 3.02 0.00 0.00 6.10 6.76 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 7 S 7.93 4.27 0.00 4.12 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 8 D 8.39 4.90 0.00 2.81 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 9 F 7.91 5.33 0.00 2.96 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 V 8.86 4.55 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 0.60 0.00 0.00 0.88 0.00 0.00 11 V 8.73 4.82 2.17 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 1.18 0.00 0.00 1.18 0.00 0.00 12 I 9.13 4.86 1.87 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 1.09 0.49 0.92 0.00 0.00 13 K 9.04 4.99 0.00 1.86 1.77 0.00 1.59 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.37 7.81 14 A 8.71 4.40 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.12 4.67 0.00 1.64 1.73 1.02 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.70 4.69 0.00 2.02 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 2.33 0.00 17 D 8.34 4.37 0.00 2.69 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 18 G 8.75 3.89 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 0.00 0.00 0.00 19 V 7.41 3.85 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 0.96 0.00 0.00 1.00 0.00 0.00 20 N 9.11 5.26 0.00 2.62 2.60 0.00 0.00 6.38 8.52 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 21 V 8.82 4.48 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 0.77 0.00 0.00 0.90 0.00 0.00 22 I 8.54 4.61 1.37 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.38 -0.09 0.00 0.00 23 G 8.75 4.10 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 0.00 24 L 8.70 5.52 0.00 1.89 1.72 0.99 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.74 4.63 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 26 R 7.77 4.20 0.00 1.92 2.01 0.00 3.21 0.00 0.00 3.08 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.44 0.00 27 G 8.82 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 0.00 0.00 0.00 28 A 8.48 4.05 1.29 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 0.00 0.00 29 D 7.87 4.75 0.00 2.63 2.58 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 0.00 0.00 0.00 0.00 30 T 8.33 4.83 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 1.27 0.00 0.00 31 R 8.68 4.62 0.00 1.84 1.95 0.00 2.80 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 32 F 8.56 5.23 0.00 2.88 2.87 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.18 5.01 0.00 3.10 3.48 0.00 5.79 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.66 4.74 0.00 3.33 3.09 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.24 4.75 0.00 3.75 3.61 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 0.00 0.00 0.00 0.00 36 E 9.21 4.38 0.00 2.15 1.80 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 2.26 2.29 0.00 37 K 8.61 4.82 0.00 1.78 1.68 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.45 7.81 38 L 9.20 4.95 0.00 1.55 1.52 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.83 4.97 0.00 2.52 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 40 K 8.91 4.00 0.00 1.74 1.74 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.31 7.81 41 G 8.92 4.10 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 0.00 42 E 8.01 4.21 0.00 2.10 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 2.32 2.33 0.00 43 V 8.25 4.92 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 0.80 0.00 0.00 0.94 0.00 0.00 44 L 9.13 4.76 0.00 1.73 1.45 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.54 5.03 1.77 0.00 0.00 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 1.25 0.67 0.73 0.00 0.00 46 A 9.06 4.74 1.12 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 0.00 0.00 47 Q 8.60 4.85 0.00 1.96 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.93 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 48 F 8.48 4.66 0.00 3.03 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.83 4.72 4.30 0.00 0.00 0.00 0.00 0.00 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 50 E 8.95 4.00 0.00 1.92 1.97 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 2.03 2.27 0.00 51 H 8.17 4.59 0.00 3.27 3.24 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.54 5.21 4.35 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 1.33 0.00 0.00 53 S 9.00 5.01 0.00 3.86 4.09 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 0.00 0.00 0.00 0.00 54 A 7.91 5.01 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.54 4.96 1.82 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.64 0.82 0.00 0.00 56 K 8.98 4.56 0.00 1.72 1.40 0.00 1.55 0.00 0.00 1.51 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.26 1.33 7.81 57 V 8.35 4.76 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 0.81 0.00 0.00 0.90 0.00 0.00 58 R 9.03 4.47 0.00 1.83 1.68 0.00 3.10 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 59 G 9.09 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.47 4.47 0.00 1.83 1.72 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.42 7.81 61 A 8.74 5.03 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 62 Y 9.13 4.84 0.00 3.03 2.82 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 63 I 8.38 5.06 1.91 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 1.21 0.64 0.87 0.00 0.00 64 Q 9.10 5.04 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.51 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 65 T 8.41 4.73 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 1.16 0.00 0.00 66 R 8.48 3.74 0.00 1.61 1.81 0.00 3.19 0.00 0.00 3.34 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 67 H 7.77 4.65 0.00 3.18 3.26 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.69 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 69 V 8.03 4.54 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.83 0.00 0.00 70 I 8.42 4.59 1.81 0.00 0.00 0.84 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 1.55 0.85 0.00 0.00 71 E 8.57 5.12 0.00 1.83 1.82 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 2.12 2.12 0.00 72 S 8.76 4.64 0.00 3.96 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 73 E 8.53 4.90 0.00 1.83 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 2.20 2.27 0.00 74 G 8.76 3.75 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 0.00 0.00 0.00