NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.6254 8.2233 120.1924 53.8599 42.4671 176.0524 6 D 4.2775 8.7617 127.4950 57.1874 40.8019 177.0190 7 D 4.4779 9.0203 120.3289 57.5807 41.1219 178.3787 8 D 4.3903 8.2719 118.9897 56.9214 40.7714 178.8206 9 K 3.9177 7.9458 118.7060 59.3265 32.1174 178.8308 10 K 4.0066 7.9550 119.3953 60.0136 32.0400 178.8048 11 T 3.7686 7.9101 115.7129 66.8497 68.3806 176.4831 12 N 4.2375 8.5017 118.6941 55.9320 38.4260 177.5903 13 W 4.1908 8.2364 120.4939 59.7473 29.1568 178.5464 14 L 3.6992 8.1691 119.0776 57.5134 40.9751 179.7822 15 K 3.8924 8.2036 118.7039 59.2632 31.9882 179.3001 16 R 3.7813 7.8402 118.9121 59.5314 29.7865 178.2894 17 I 3.6453 8.0565 119.9485 64.8379 36.8762 177.7520 18 Y 3.8612 7.7053 118.6013 60.4994 38.6296 177.7927 19 R 3.9204 7.6737 118.8372 59.3260 30.4297 178.3520 20 V 4.1827 7.7015 109.3705 61.3516 32.2325 176.3992 21 R 4.3814 7.1157 117.3130 53.1249 30.6238 173.4888 22 P 4.3661 0.0000 0.0000 61.4036 32.5539 175.6540 23 C 3.8569 9.0576 117.6901 59.9915 31.5044 175.2249 24 V 3.7494 8.6511 120.3473 63.3254 31.5257 176.9541 25 K 3.8398 7.8844 119.6859 57.8942 32.9774 176.8951 26 C 4.1916 7.8301 112.0370 58.0074 30.3383 174.7964 27 K 4.0665 7.9781 117.7842 56.9821 30.0454 175.1642 28 V 4.1149 7.2506 114.2554 64.2672 33.5217 175.9453 29 A 4.1607 7.6396 122.6099 51.2038 18.9341 175.2999 30 P 4.5044 0.0000 0.0000 62.2464 32.1128 176.8249 31 R 4.2578 7.8681 119.1309 55.9942 30.9465 176.3845 32 D 4.9706 8.8442 121.3557 54.8131 42.5630 174.7400 33 W 5.4759 8.1946 117.6990 55.9691 30.7425 173.2181 34 K 4.4598 8.9179 119.1066 55.6584 35.9998 174.7975 35 V 4.4530 8.3754 121.4065 62.2257 32.6853 176.0321 36 K 4.4853 8.9063 128.9640 54.8593 34.0303 178.3458 37 N 4.2937 9.1761 125.0502 53.4056 37.3356 175.7303 38 K 4.7694 6.5607 114.6034 56.0678 34.4401 175.6994 39 H 5.3744 8.5564 118.0397 53.9610 31.9739 173.0806 40 L 4.7085 9.1259 124.6292 53.9804 43.7501 175.0937 41 R 4.9132 9.0989 128.0515 55.2307 31.6893 174.9343 42 I 4.8121 8.6605 128.7259 59.8756 38.7000 175.3693 43 Y 4.8059 8.4641 125.4190 57.7274 38.2255 176.4786 44 N 4.6088 9.5140 119.3088 55.7137 39.1702 175.3834 45 M 5.0659 7.8330 116.6433 52.8549 35.2969 174.8714 46 C 5.0119 8.3282 116.4559 57.9526 31.9363 174.7765 47 K 4.0367 8.5210 120.9487 59.8492 31.7827 178.6234 48 T 3.8934 7.9604 115.5880 67.0708 68.3458 176.2079 49 C 4.1960 8.0699 118.0070 62.4853 28.1100 175.5252 50 F 4.2217 8.4643 122.4255 61.5825 38.9626 176.7298 51 N 3.9867 8.5265 116.2629 56.3989 38.3348 176.8470 52 N 4.2589 8.1100 118.4232 56.7187 38.9742 177.0235 53 S 4.1367 8.3202 115.8400 61.4085 62.4645 176.7040 54 I 3.6018 7.2203 123.6356 64.2883 36.5953 178.0648 55 D 4.3866 7.5928 118.5079 57.1257 40.7840 178.3278 56 I 4.0470 7.8353 111.4739 61.1667 38.0189 176.2047 57 G 3.7032 7.6713 107.4969 46.6015 0.0000 172.6431 58 D 4.7748 8.3313 120.0121 52.2573 42.6666 175.2004 59 D 4.3211 8.3775 124.8346 53.1994 40.0166 177.9961 60 T 3.5857 7.9163 118.4123 67.1452 68.2712 174.6702 61 Y 4.5650 7.5554 114.4443 57.8322 38.5062 175.5959 62 H 4.3731 7.9399 117.8650 56.0102 29.4099 175.2791 63 G 4.3446 7.9904 109.1494 44.3688 0.0000 170.8119 64 H 5.2310 7.5233 114.7057 55.0683 31.2803 173.4348 65 V 4.3118 8.6001 118.0599 61.3258 34.4955 173.7536 66 D 5.2395 8.5887 127.6961 53.3796 42.3788 175.8689 67 W 4.8191 9.2347 122.4805 54.3160 32.7595 174.6254 68 L 4.1572 8.8570 127.2811 55.9751 41.4873 176.8138 69 M 4.1187 8.8375 125.7846 56.8141 32.4270 176.0391 70 Y 4.7882 7.5136 115.0479 55.6687 40.7315 175.6576 71 A 4.1109 9.4250 125.7208 54.2510 18.6816 177.6219 72 D 4.8924 8.0232 115.3569 52.2937 42.7753 175.8774 73 S 4.3731 8.7043 120.2696 58.6322 63.2927 173.9220 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 5 D 8.22 4.63 0.00 2.70 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 6 D 8.76 4.28 0.00 2.85 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 7 D 9.02 4.48 0.00 3.03 2.79 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 8 D 8.27 4.39 0.00 2.93 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.95 3.92 0.00 2.04 1.99 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.68 7.81 10 K 7.96 4.01 0.00 1.96 1.98 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.15 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.64 1.57 7.81 11 T 7.91 3.77 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 1.12 0.00 0.00 12 N 8.50 4.24 0.00 2.61 2.67 0.00 0.00 7.09 7.22 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 13 W 8.24 4.19 0.00 3.60 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 14 L 8.17 3.70 0.00 1.69 1.48 0.83 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.20 3.89 0.00 1.69 1.78 0.00 1.58 0.00 0.00 1.49 0.00 0.00 2.77 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.54 7.81 16 R 7.84 3.78 0.00 1.73 2.06 0.00 2.84 0.00 0.00 2.65 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.65 0.00 17 I 8.06 3.65 1.66 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.79 0.48 0.00 0.00 18 Y 7.71 3.86 0.00 2.84 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 19 R 7.67 3.92 0.00 2.07 1.99 0.00 3.28 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 20 V 7.70 4.18 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 0.82 0.00 0.00 1.00 0.00 0.00 21 R 7.12 4.38 0.00 1.83 1.86 0.00 3.21 0.00 0.00 3.33 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 22 P 0.00 4.37 0.00 2.11 2.10 0.00 3.78 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 23 C 9.06 3.86 0.00 3.04 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 24 V 8.65 3.75 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.03 0.00 0.00 25 K 7.88 3.84 0.00 1.41 1.71 0.00 1.28 0.00 0.00 1.40 0.00 0.00 3.11 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.28 1.36 7.81 26 C 7.83 4.19 0.00 3.12 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.98 4.07 0.00 1.93 1.94 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.32 1.47 7.81 28 V 7.25 4.11 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 0.77 0.00 0.00 0.97 0.00 0.00 29 A 7.64 4.16 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 30 P 0.00 4.50 0.00 2.19 1.80 0.00 3.72 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 31 R 7.87 4.26 0.00 1.94 2.24 0.00 3.28 0.00 0.00 3.47 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.61 0.00 32 D 8.84 4.97 0.00 2.88 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 33 W 8.19 5.48 0.00 3.52 3.09 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 34 K 8.92 4.46 0.00 1.75 1.84 0.00 1.32 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.39 7.81 35 V 8.38 4.45 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 1.17 0.00 0.00 36 K 8.91 4.49 0.00 1.81 1.78 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.41 7.81 37 N 9.18 4.29 0.00 3.06 2.64 0.00 0.00 6.19 7.13 0.00 0.00 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 K 6.56 4.77 0.00 1.77 2.13 0.00 1.51 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.63 1.50 7.81 39 H 8.56 5.37 0.00 3.30 3.24 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 9.13 4.71 0.00 1.70 1.62 0.86 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 41 R 9.10 4.91 0.00 1.86 1.72 0.00 2.85 0.00 0.00 2.68 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.28 0.00 42 I 8.66 4.81 2.16 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 1.38 0.84 1.17 0.00 0.00 43 Y 8.46 4.81 0.00 3.11 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 44 N 9.51 4.61 0.00 3.10 3.03 0.00 0.00 7.09 7.46 0.00 0.00 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 M 7.83 5.07 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.55 0.00 46 C 8.33 5.01 0.00 3.21 3.31 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 47 K 8.52 4.04 0.00 1.92 1.88 0.00 1.72 0.00 0.00 1.79 0.00 0.00 3.09 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.53 1.67 7.81 48 T 7.96 3.89 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 1.22 0.00 0.00 49 C 8.07 4.20 0.00 3.03 3.01 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 50 F 8.46 4.22 0.00 3.18 3.25 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 51 N 8.53 3.99 0.00 2.71 2.80 0.00 0.00 6.76 6.49 0.00 0.00 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 N 8.11 4.26 0.00 2.88 2.99 0.00 0.00 7.00 7.80 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 53 S 8.32 4.14 0.00 4.37 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 0.00 54 I 7.22 3.60 1.80 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.86 0.81 0.00 0.00 55 D 7.59 4.39 0.00 2.74 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.84 4.05 1.87 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 1.63 0.61 0.93 0.00 0.00 57 G 7.67 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.33 4.77 0.00 2.60 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.38 4.32 0.00 2.65 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.92 3.59 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 0.49 0.00 0.00 61 Y 7.56 4.56 0.00 3.16 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.94 4.37 0.00 3.36 3.37 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 63 G 7.99 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 H 7.52 5.23 0.00 3.05 3.34 0.00 5.48 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 V 8.60 4.31 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.96 0.00 0.00 66 D 8.59 5.24 0.00 2.48 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 W 9.23 4.82 0.00 3.22 3.11 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 68 L 8.86 4.16 0.00 1.67 1.65 1.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 69 M 8.84 4.12 0.00 1.39 1.69 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.39 0.00 70 Y 7.51 4.79 0.00 3.02 2.92 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 71 A 9.43 4.11 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.02 4.89 0.00 2.65 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 73 S 8.70 4.37 0.00 4.05 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00