NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.2623 8.3031 121.7896 56.4274 33.4302 175.2285 4 G 3.6475 8.8373 115.0329 47.5218 0.0000 173.3301 5 H 4.7649 7.8878 115.1776 55.3428 29.8447 175.1562 6 S 4.2234 8.1273 117.2474 60.6962 62.8283 175.0881 7 L 4.4398 7.6398 122.7045 56.6244 43.0050 177.7061 8 Q 3.8329 7.7988 118.8165 59.2671 29.0843 177.6564 9 D 4.3218 7.9476 119.4631 57.0253 40.8981 176.8936 10 P 4.2581 0.0000 0.0000 65.9277 31.3505 177.7157 11 Y 3.9931 7.8515 117.4696 60.7168 38.7031 178.0277 12 L 3.7245 8.1955 119.9437 57.9240 41.6419 179.1677 13 N 4.4938 8.6961 117.0802 57.1155 38.8050 177.0392 14 T 3.8575 8.0555 117.4193 66.5156 68.6790 176.7584 15 L 3.8669 7.7582 120.9337 57.5265 41.5399 179.6474 16 R 4.3902 7.9954 119.9690 59.0136 29.9382 178.5040 17 K 3.8999 8.0519 117.1809 59.5651 32.2482 178.4109 18 E 4.2396 8.1228 115.0836 55.6739 29.7950 176.5542 19 R 3.7695 7.7213 116.9790 56.7431 28.5226 176.4476 20 V 3.7302 7.4283 117.0569 62.2728 32.2225 173.9449 21 P 4.6152 0.0000 0.0000 62.8875 32.4953 175.7800 22 V 4.9119 8.9046 117.4183 59.6465 35.9456 174.5208 23 S 5.0979 9.0041 119.0996 56.9816 65.3674 173.2692 24 I 4.8250 8.7097 125.7565 59.8723 39.5577 174.1016 25 Y 4.8629 8.9920 126.0736 56.6548 39.5112 175.8188 26 L 4.8840 9.0803 124.9236 53.6497 43.2916 178.5902 27 V 3.7036 8.9775 114.8162 64.1400 31.5291 177.2341 28 N 4.6309 8.1979 115.0707 52.6046 37.5265 175.8822 29 G 4.0595 8.4404 108.8967 45.2258 0.0000 174.2737 30 I 3.8420 8.0252 121.7042 61.4029 38.2259 174.8172 31 K 4.5716 8.5454 127.7640 54.7222 33.5896 175.2657 32 L 4.8095 8.8415 127.3553 53.3511 44.7690 175.4666 33 Q 4.8049 8.7048 118.7445 53.4765 32.5594 176.3562 34 G 4.0219 7.2892 109.1421 46.4728 0.0000 170.8024 35 Q 4.8645 7.9144 120.0974 53.8736 32.9325 175.4718 36 I 4.3148 8.2906 123.7554 61.5217 37.3493 175.9760 37 E 4.1836 8.9793 129.8360 58.3662 30.5363 175.8408 38 S 4.8237 7.8685 111.6786 58.3901 65.7424 174.9030 39 F 5.2547 8.1252 116.2014 56.0808 39.1474 173.2729 40 D 4.7111 8.5823 120.6645 52.0855 41.7174 175.5383 41 Q 4.0492 8.7953 118.2414 58.8285 29.1492 177.9722 42 F 5.0283 9.2353 115.2043 57.3536 41.5924 174.9150 43 V 5.0866 7.7141 109.5055 59.5975 36.5474 174.5451 44 I 5.1193 8.6559 121.8517 59.5873 41.2705 174.4905 45 L 4.7934 9.2374 128.9756 53.8204 43.6339 174.8393 46 L 4.9401 8.9343 129.9109 53.3463 43.9243 174.7491 47 K 4.7781 8.9563 129.2422 55.0188 33.7960 175.5177 48 N 5.1364 7.9819 123.0723 53.0046 41.7217 172.8564 49 T 3.8768 8.6944 111.1863 64.4954 65.9350 174.6503 50 V 4.2908 7.6155 120.8674 60.9343 33.5725 174.7124 51 S 5.0567 8.3610 123.3037 58.3264 64.8845 172.9843 52 Q 4.7084 8.2288 115.8170 55.8507 31.9263 172.4338 53 M 4.7357 8.7474 121.8022 54.6177 33.5413 175.0238 54 V 4.4414 8.7149 126.4606 61.1168 34.3801 174.4207 55 Y 4.3697 8.6019 125.6283 57.4856 38.6999 176.8915 56 K 4.0199 9.2628 124.6781 59.4862 32.3682 179.1834 57 A 4.0200 8.2565 119.9613 54.3292 18.6192 177.5875 58 A 4.4608 8.0954 117.8693 52.2841 19.4145 176.5309 59 I 4.6171 7.7121 118.3198 59.9749 38.6116 175.6796 60 S 4.5367 8.9075 120.8300 60.7251 63.8745 174.3695 61 T 4.7133 7.7383 113.9167 60.0352 70.9961 171.9379 62 V 4.7867 8.4273 125.9790 61.1579 34.0880 174.8424 63 V 4.4245 9.2455 128.4964 60.3280 32.2183 173.0346 64 P 4.8017 0.0000 0.0000 62.6177 32.1098 177.7469 65 S 4.3363 8.8600 117.2077 60.3737 63.4784 174.0366 66 R 4.6249 7.4850 115.4404 53.9139 32.2420 172.8510 67 P 4.2298 0.0000 0.0000 63.3141 31.7332 176.1261 68 V 4.4281 8.2440 121.3668 60.7768 34.2616 174.4957 69 R 4.6498 8.2007 122.0979 53.9898 31.2469 176.1692 70 L 4.0823 8.5979 123.1572 57.4035 42.5212 174.9111 71 P 4.4337 0.0000 0.0000 63.0235 31.2540 175.7109 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 3 K 8.30 4.26 0.00 1.72 1.80 0.00 1.62 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.52 7.81 4 G 8.84 3.65 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 0.00 0.00 0.00 5 H 7.89 4.76 0.00 3.18 3.46 0.00 5.66 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.13 4.22 0.00 4.03 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 7 L 7.64 4.44 0.00 1.73 1.61 0.90 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 7.80 3.83 0.00 2.03 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.68 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 9 D 7.95 4.32 0.00 3.05 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 10 P 0.00 4.26 0.00 2.21 2.15 0.00 3.66 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 2.42 2.20 0.00 11 Y 7.85 3.99 0.00 3.17 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 12 L 8.20 3.72 0.00 0.67 0.66 0.38 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.70 4.49 0.00 3.15 2.90 0.00 0.00 7.31 7.88 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 14 T 8.06 3.86 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 1.13 0.00 0.00 15 L 7.76 3.87 0.00 1.69 1.58 0.61 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 16 R 8.00 4.39 0.00 2.04 2.18 0.00 3.30 0.00 0.00 3.43 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 17 K 8.05 3.90 0.00 1.92 1.87 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.69 7.81 18 E 8.12 4.24 0.00 2.08 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 2.30 2.30 0.00 19 R 7.72 3.77 0.00 1.93 1.97 0.00 3.16 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 20 V 7.43 3.73 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 0.69 0.00 0.00 0.86 0.00 0.00 21 P 0.00 4.62 0.00 2.10 1.95 0.00 3.57 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 22 V 8.90 4.91 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 0.95 0.00 0.00 0.98 0.00 0.00 23 S 9.00 5.10 0.00 3.93 3.57 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.71 4.82 1.83 0.00 0.00 0.86 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 0.91 0.93 0.00 0.00 25 Y 8.99 4.86 0.00 2.96 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 26 L 9.08 4.88 0.00 1.75 1.72 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.98 3.70 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 0.71 0.00 0.00 0.98 0.00 0.00 28 N 8.20 4.63 0.00 2.82 2.93 0.00 0.00 6.27 7.00 0.00 0.00 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 G 8.44 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 30 I 8.03 3.84 1.98 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.78 0.89 0.00 0.00 31 K 8.55 4.57 0.00 1.31 1.50 0.00 1.40 0.00 0.00 0.93 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.03 0.67 7.81 32 L 8.84 4.81 0.00 1.52 1.49 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.70 4.80 0.00 1.82 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.07 0.00 0.00 0.00 0.00 0.00 2.18 2.25 0.00 34 G 7.29 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 7.91 4.86 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.94 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 36 I 8.29 4.31 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.97 0.96 0.00 0.00 37 E 8.98 4.18 0.00 1.98 2.12 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 2.29 2.25 0.00 38 S 7.87 4.82 0.00 3.88 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 39 F 8.13 5.25 0.00 3.28 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 40 D 8.58 4.71 0.00 2.83 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 41 Q 8.80 4.05 0.00 1.77 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.90 0.00 0.00 0.00 0.00 0.00 1.46 2.08 0.00 42 F 9.24 5.03 0.00 3.14 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 43 V 7.71 5.09 1.93 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 0.39 0.00 0.00 1.01 0.00 0.00 44 I 8.66 5.12 1.89 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 1.18 0.70 0.99 0.00 0.00 45 L 9.24 4.79 0.00 1.73 1.56 0.97 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.93 4.94 0.00 1.76 1.51 0.90 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.96 4.78 0.00 1.97 1.64 0.00 1.97 0.00 0.00 1.67 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.21 7.81 48 N 7.98 5.14 0.00 2.65 2.91 0.00 0.00 7.13 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 49 T 8.69 3.88 4.24 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 1.20 0.00 0.00 50 V 7.62 4.29 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 0.99 0.00 0.00 0.93 0.00 0.00 51 S 8.36 5.06 0.00 3.82 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 52 Q 8.23 4.71 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.88 0.00 0.00 0.00 0.00 0.00 2.27 2.20 0.00 53 M 8.75 4.74 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.22 0.00 54 V 8.71 4.44 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 1.05 0.00 0.00 0.93 0.00 0.00 55 Y 8.60 4.37 0.00 3.13 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 56 K 9.26 4.02 0.00 2.02 1.94 0.00 1.83 0.00 0.00 1.66 0.00 0.00 3.13 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.59 7.81 57 A 8.26 4.02 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 58 A 8.10 4.46 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 59 I 7.71 4.62 2.02 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.89 0.99 0.00 0.00 60 S 8.91 4.54 0.00 3.89 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 T 7.74 4.71 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 1.23 0.00 0.00 62 V 8.43 4.79 2.21 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 0.95 0.00 0.00 0.98 0.00 0.00 63 V 9.25 4.42 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 0.98 0.00 0.00 1.05 0.00 0.00 64 P 0.00 4.80 0.00 2.27 1.91 0.00 3.76 0.00 0.00 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.06 0.00 65 S 8.86 4.34 0.00 3.88 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 66 R 7.48 4.62 0.00 1.98 1.89 0.00 3.13 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 67 P 0.00 4.23 0.00 2.06 2.07 0.00 3.62 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 68 V 8.24 4.43 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 0.71 0.00 0.00 0.81 0.00 0.00 69 R 8.20 4.65 0.00 1.94 1.89 0.00 3.25 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.53 0.00 70 L 8.60 4.08 0.00 1.64 1.77 1.07 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 71 P 0.00 4.43 0.00 2.08 1.99 0.00 3.66 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00