NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3213 8.4449 120.2255 55.8042 30.1605 175.0680 4 R 3.9160 7.9576 121.4975 54.8418 31.5315 175.3206 5 P 4.1659 0.0000 0.0000 66.1644 32.2012 178.4333 6 L 3.9475 7.8197 117.8863 57.5382 42.0245 178.6554 7 D 4.2735 8.1907 119.6098 57.2671 40.5989 178.5344 8 V 3.5329 7.6529 116.7424 66.2747 31.6956 177.6254 9 I 3.6871 7.4889 119.1626 64.4952 36.7165 177.9469 10 H 4.1611 7.9976 119.1433 59.3322 29.4955 177.5923 11 R 4.0098 7.8318 118.7432 58.7006 30.3087 178.2234 12 S 4.4134 7.6208 113.4630 57.9423 63.0161 174.1826 13 L 4.3782 6.9695 122.4341 55.9332 41.8806 176.0617 14 D 4.4865 9.0288 118.9734 54.1397 38.9120 173.2411 15 K 4.8947 7.6949 116.4501 54.8440 37.1735 175.2017 16 D 5.0437 8.5370 121.3902 53.8336 40.7723 175.7236 17 V 4.8179 9.2122 114.9966 59.7271 37.0391 173.7774 18 L 4.8379 9.2265 125.4069 53.6316 44.1689 175.5932 19 V 4.6003 9.1117 128.6165 61.5222 32.6906 174.4594 20 I 4.4554 8.7496 130.5070 60.7752 37.9678 175.8232 21 L 5.1277 8.6631 126.6844 52.9600 44.0171 177.8651 22 K 4.2379 8.3898 118.6095 58.2999 31.9251 178.0737 23 K 4.6459 8.0335 117.5723 55.9943 32.7776 177.0591 24 G 4.0009 8.7010 109.7698 45.3661 0.0000 174.5841 25 F 4.6291 8.2807 117.9524 57.5926 40.7028 173.8640 26 E 5.1851 8.4933 116.7884 56.0024 33.3481 174.1129 27 F 5.4319 9.3324 118.4440 55.8459 43.4025 174.3954 28 R 5.1184 8.7946 120.9465 54.3512 33.8914 175.2832 29 G 4.1261 8.1307 108.2351 46.3184 0.0000 171.2905 30 R 4.8580 7.8645 120.4920 54.9432 31.5200 175.4332 31 L 4.7058 9.5123 131.0719 55.2010 42.6847 176.7871 32 I 4.6487 8.5709 118.5037 60.4953 39.2984 175.0141 33 G 4.2217 7.3185 108.8276 45.8966 0.0000 171.4567 34 Y 5.7297 7.7022 117.2937 57.1285 40.2664 171.6341 35 D 4.9248 8.0128 118.4389 51.7068 43.1453 176.0848 36 I 3.9172 8.5280 117.8891 63.9915 37.0766 176.7613 37 H 4.5659 8.2352 115.7746 55.4363 29.0524 175.2065 38 L 3.7959 8.1311 119.1755 55.6227 39.4787 173.5971 39 N 5.0085 8.4354 116.2089 53.2721 39.9407 174.8445 40 V 4.9922 8.8232 114.9213 59.6246 36.7968 174.4638 41 V 4.8006 8.5715 122.2253 61.1878 34.0081 174.3702 42 L 5.4074 8.9284 127.1854 52.9015 45.3574 175.3678 43 A 5.0573 8.5355 123.2755 50.0770 22.4757 175.5761 44 D 4.4117 8.3908 117.3891 55.4208 39.1164 173.5193 45 A 5.2565 8.3580 120.7199 50.7816 22.5064 177.4731 46 E 5.2190 9.0462 116.7227 55.0690 33.3187 174.2384 47 M 4.4165 9.7142 124.8446 55.0964 33.8926 174.7336 48 I 5.0252 8.8388 126.7570 59.5210 41.0006 174.3875 49 Q 4.2215 8.5478 126.8596 55.1415 31.7268 175.1445 50 D 4.3374 9.3857 124.2662 54.2159 40.2583 172.6738 51 G 3.5465 7.4428 105.6664 45.8884 0.0000 173.5260 52 E 4.6504 7.8810 119.6906 53.9660 32.7754 175.3272 53 V 4.1989 8.1845 120.6452 62.9985 31.6683 175.9530 54 V 4.1643 8.6246 121.7364 63.0681 32.7834 176.6147 55 K 4.5750 7.7320 117.1194 55.1678 36.6279 175.2123 56 R 5.1128 8.0748 120.3239 54.7086 33.5417 174.7210 57 Y 4.7250 9.5344 120.0219 56.2610 41.8093 176.8717 58 G 3.7130 9.0077 110.5801 49.0705 0.0000 173.4811 59 K 5.2081 7.8382 119.9116 54.9692 35.4596 175.2163 60 I 4.4822 9.0616 127.2297 59.4580 41.8174 173.4522 61 V 4.4332 8.2928 129.2084 61.7406 32.6026 174.6608 62 I 4.2987 8.6230 129.4084 59.3324 39.5540 175.4645 63 R 4.5026 8.4730 126.4736 55.5437 30.9214 177.9960 64 G 3.7259 9.7244 111.9957 47.8294 0.0000 175.1615 65 D 4.3537 8.1168 118.3811 56.6998 40.9933 176.2594 66 N 4.7184 7.9088 115.0629 52.9075 39.0832 174.4667 67 V 4.2985 7.4630 119.5837 62.2357 32.5174 175.1752 68 L 4.4249 8.9150 129.8784 57.2545 42.6615 176.2650 69 A 4.7239 7.6144 117.7222 50.9526 22.6721 174.7655 70 I 4.9827 8.2746 119.6255 59.5534 40.6853 175.1843 71 S 4.6633 9.1462 121.0427 55.7780 65.8195 170.9853 72 P 4.9079 0.0000 0.0000 62.1532 31.6102 176.2654 73 T 4.1176 7.9521 113.4500 61.9768 68.1440 174.0836 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 E 8.44 4.32 0.00 1.97 1.98 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 2.21 2.34 0.00 4 R 7.96 3.92 0.00 2.18 1.84 0.00 3.20 0.00 0.00 3.33 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.77 0.00 5 P 0.00 4.17 0.00 2.12 2.10 0.00 3.58 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 6 L 7.82 3.95 0.00 1.73 1.64 0.93 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.19 4.27 0.00 2.94 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 8 V 7.65 3.53 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 0.83 0.00 0.00 1.00 0.00 0.00 9 I 7.49 3.69 1.45 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.15 0.27 0.00 0.00 10 H 8.00 4.16 0.00 3.37 3.46 0.00 5.78 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 R 7.83 4.01 0.00 1.94 1.97 0.00 3.20 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.99 0.00 12 S 7.62 4.41 0.00 3.92 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 13 L 6.97 4.38 0.00 1.64 1.64 1.03 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 14 D 9.03 4.49 0.00 2.85 2.80 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 15 K 7.69 4.89 0.00 1.86 1.69 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.64 7.81 16 D 8.54 5.04 0.00 2.81 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 17 V 9.21 4.82 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 1.02 0.00 0.00 18 L 9.23 4.84 0.00 1.72 1.69 0.98 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 19 V 9.11 4.60 2.25 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 1.07 0.00 0.00 0.97 0.00 0.00 20 I 8.75 4.46 1.99 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.61 0.95 0.00 0.00 21 L 8.66 5.13 0.00 1.84 1.65 1.16 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.39 4.24 0.00 1.81 1.89 0.00 1.65 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.50 1.66 7.81 23 K 8.03 4.65 0.00 1.83 2.13 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.46 7.81 24 G 8.70 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.28 4.63 0.00 2.94 2.88 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 26 E 8.49 5.19 0.00 2.15 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 0.00 2.26 2.22 0.00 27 F 9.33 5.43 0.00 2.99 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.79 5.12 0.00 1.80 1.83 0.00 3.22 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 29 G 8.13 4.13 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 0.00 0.00 0.00 30 R 7.86 4.86 0.00 1.97 1.83 0.00 3.11 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 31 L 9.51 4.71 0.00 1.76 1.75 1.07 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 32 I 8.57 4.65 1.88 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 1.35 0.86 1.00 0.00 0.00 33 G 7.32 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 7.70 5.73 0.00 3.01 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 35 D 8.01 4.92 0.00 2.76 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 8.53 3.92 1.73 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.78 0.88 0.00 0.00 37 H 8.24 4.57 0.00 3.30 3.33 0.00 5.79 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.13 3.80 0.00 1.93 1.81 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 39 N 8.44 5.01 0.00 2.97 2.72 0.00 0.00 6.80 7.10 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 40 V 8.82 4.99 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 0.76 0.00 0.00 0.89 0.00 0.00 41 V 8.57 4.80 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 0.96 0.00 0.00 0.91 0.00 0.00 42 L 8.93 5.41 0.00 1.55 1.52 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.54 5.06 1.23 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 0.00 0.00 44 D 8.39 4.41 0.00 2.80 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.36 5.26 1.38 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 0.00 0.00 46 E 9.05 5.22 0.00 2.06 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 0.00 2.43 2.31 0.00 47 M 9.71 4.42 0.00 2.20 2.30 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.39 0.00 48 I 8.84 5.03 1.81 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 1.09 0.79 0.90 0.00 0.00 49 Q 8.55 4.22 0.00 1.83 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 5.94 0.00 0.00 0.00 0.00 0.00 1.94 2.07 0.00 50 D 9.39 4.34 0.00 2.66 2.65 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 51 G 7.44 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 E 7.88 4.65 0.00 1.93 1.78 0.00 0.00 0.00 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 2.16 0.00 53 V 8.18 4.20 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 0.79 0.00 0.00 0.93 0.00 0.00 54 V 8.62 4.16 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 0.70 0.00 0.00 1.00 0.00 0.00 55 K 7.73 4.58 0.00 1.66 1.18 0.00 1.55 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.36 1.48 7.81 56 R 8.07 5.11 0.00 1.54 1.76 0.00 3.12 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 57 Y 9.53 4.72 0.00 2.89 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 58 G 9.01 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 59 K 7.84 5.21 0.00 1.75 1.65 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.44 7.81 60 I 9.06 4.48 1.58 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 1.12 0.66 0.00 0.00 61 V 8.29 4.43 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 0.80 0.00 0.00 0.88 0.00 0.00 62 I 8.62 4.30 1.70 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.18 0.74 0.00 0.00 63 R 8.47 4.50 0.00 1.83 1.82 0.00 3.09 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.57 0.00 64 G 9.72 3.73 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 0.00 0.00 0.00 65 D 8.12 4.35 0.00 2.62 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 66 N 7.91 4.72 0.00 2.75 2.81 0.00 0.00 6.46 7.56 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 67 V 7.46 4.30 2.24 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 0.78 0.00 0.00 1.00 0.00 0.00 68 L 8.92 4.42 0.00 1.68 1.88 0.94 0.97 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 69 A 7.61 4.72 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 70 I 8.27 4.98 1.85 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 1.24 0.72 0.90 0.00 0.00 71 S 9.15 4.66 0.00 3.83 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 72 P 0.00 4.91 0.00 2.11 2.07 0.00 3.82 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 1.98 1.95 0.00 73 T 7.95 4.12 4.25 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 1.23 0.00 0.00