NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 H 4.7062 8.2876 120.3945 56.0597 30.5184 173.9453 6 S 4.0181 8.8670 111.4394 59.5782 62.9781 173.2979 7 L 4.5076 7.8591 122.4410 56.6653 43.8089 178.6604 8 Q 3.9384 8.0245 118.8152 59.4339 28.9445 177.9667 9 D 4.4938 7.8996 119.9292 57.0420 40.9130 177.0631 10 P 4.4369 0.0000 0.0000 65.9672 31.1387 177.7206 11 Y 3.9059 8.0868 119.2100 60.6972 38.7316 178.0864 12 L 3.7901 8.1133 120.1219 57.5843 41.5591 179.0744 13 N 4.5506 8.7852 117.4886 56.9134 38.8054 177.2099 14 T 3.9143 8.1417 117.5505 66.4837 68.6419 176.7415 15 L 3.8326 7.6728 120.9938 57.5417 41.6488 179.5547 16 R 4.1066 8.0537 120.2223 58.9869 29.9415 178.6356 17 K 3.9746 8.3168 117.3154 59.3860 32.2137 178.3743 18 E 4.2618 8.2498 115.4978 55.3708 30.0379 176.4372 19 R 3.6936 7.6336 117.1195 56.9198 28.4948 176.6461 20 V 3.8495 7.4444 116.5796 61.9114 32.4922 174.2212 21 P 4.5797 0.0000 0.0000 62.9459 32.5174 175.7820 22 V 4.9441 9.1006 117.1027 59.6014 36.3045 174.6548 23 S 4.9156 8.9818 118.3426 56.9973 65.5759 173.3233 24 I 4.7729 8.8085 126.9576 59.9113 39.1163 174.3467 25 Y 4.8509 9.1011 126.0812 56.7044 39.6651 175.5936 26 L 4.8838 8.9189 124.5719 53.6294 43.3386 178.5316 27 V 3.9297 8.9412 114.5213 63.7723 31.5602 177.5987 28 N 4.5113 8.0366 115.2207 53.0501 37.7396 175.4204 29 G 4.1628 8.0779 106.9588 45.6268 0.0000 174.5844 30 I 3.8780 8.4867 121.6467 61.4070 38.3085 174.9295 31 K 4.5823 8.5581 127.0990 54.6254 33.7949 175.0410 32 L 4.8193 8.8925 127.3883 53.1545 44.5042 175.5289 33 Q 4.8988 9.4611 119.8378 53.6146 32.8204 176.5651 34 G 3.8463 6.8893 107.2457 46.0271 0.0000 170.9180 35 Q 4.9009 7.4179 118.5275 53.8977 32.5446 175.3251 36 I 4.3049 8.2053 123.2763 61.4345 37.5915 176.2520 37 E 4.1665 9.2481 130.2186 58.7719 30.3086 176.1051 38 S 4.8327 7.7588 111.6818 58.4452 66.0074 174.2527 39 F 5.1685 7.9083 112.7868 56.2467 38.7724 173.4081 40 D 4.7923 8.4714 121.5692 52.2565 41.3516 175.9062 41 Q 3.9883 8.7525 117.8201 58.7115 29.2804 177.8601 42 F 5.0664 7.9773 112.4819 57.1712 41.4954 174.8954 43 V 5.0450 8.7927 113.1174 59.5372 36.5238 174.4823 44 I 5.0704 8.6906 122.3259 59.6791 40.8876 174.6649 45 L 4.9081 9.0271 127.5221 53.4541 43.2709 175.2586 46 L 5.0080 8.8545 127.8798 53.3239 43.6845 175.0850 47 K 5.1851 8.8083 126.5106 54.3039 35.1928 173.7404 48 N 4.6997 8.4180 125.5144 53.9269 45.2828 175.3151 49 T 4.0239 9.2070 110.5367 65.8086 68.5346 174.3745 50 V 4.4048 7.3141 118.2795 60.9000 34.6386 174.9894 51 S 4.8569 8.4589 122.5791 58.5423 64.5435 172.8155 52 Q 4.7410 8.9403 118.6687 54.9001 32.2554 173.4357 53 M 4.6244 8.6181 121.5394 54.5530 33.3677 174.9869 54 V 4.3740 8.6875 127.1272 61.1990 34.0908 174.3988 55 Y 4.4534 8.5273 125.8125 57.2590 38.7125 176.5395 56 K 3.9429 9.2115 125.5448 59.8307 32.3633 178.8227 57 H 4.2909 8.3675 112.4052 57.6042 28.5425 175.5567 58 A 4.5617 8.2347 122.6301 52.1919 19.5618 176.4683 59 I 4.6220 7.8118 117.8531 60.6719 38.2479 175.3367 60 S 4.7549 9.2854 121.5705 60.0566 63.8857 173.9743 61 T 4.9013 7.7525 108.3227 59.9079 72.7360 172.0059 62 V 4.7847 8.4888 122.3275 61.2975 33.9113 174.7972 63 V 4.4482 8.9508 129.0747 60.4575 33.4164 173.1566 64 P 4.8151 0.0000 0.0000 62.5217 31.5130 177.2102 65 S 4.5194 8.8557 117.8074 60.4178 63.6559 174.5324 66 R 4.7045 7.6908 115.0100 53.2136 32.3333 172.9265 67 P 4.3483 0.0000 0.0000 63.3021 31.8743 176.2128 68 V 4.3600 7.6527 113.7248 60.2906 35.3429 175.7681 69 R 4.1643 8.5229 120.5574 57.0005 30.7794 175.9415 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 H 8.29 4.71 0.00 3.16 3.21 0.00 5.65 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.87 4.02 0.00 4.15 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 7 L 7.86 4.51 0.00 1.74 1.64 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.02 3.94 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.68 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 9 D 7.90 4.49 0.00 2.87 2.86 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 10 P 0.00 4.44 0.00 2.31 2.35 0.00 3.84 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.25 0.00 11 Y 8.09 3.91 0.00 3.23 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 12 L 8.11 3.79 0.00 0.72 0.60 0.44 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.79 4.55 0.00 3.21 2.90 0.00 0.00 7.18 7.08 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 14 T 8.14 3.91 4.20 0.00 0.00 0.00 0.00 0.00 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 15 L 7.67 3.83 0.00 1.73 1.59 0.71 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 16 R 8.05 4.11 0.00 2.08 2.21 0.00 3.35 0.00 0.00 3.49 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.88 0.00 17 K 8.32 3.97 0.00 1.76 1.86 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.64 7.81 18 E 8.25 4.26 0.00 1.99 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 2.37 2.45 0.00 19 R 7.63 3.69 0.00 1.92 2.18 0.00 3.15 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.53 0.00 20 V 7.44 3.85 2.01 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 0.69 0.00 0.00 0.87 0.00 0.00 21 P 0.00 4.58 0.00 2.10 1.95 0.00 3.57 0.00 0.00 3.92 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 9.10 4.94 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 0.93 0.00 0.00 0.99 0.00 0.00 23 S 8.98 4.92 0.00 3.89 3.42 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 24 I 8.81 4.77 1.82 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 1.22 0.69 0.92 0.00 0.00 25 Y 9.10 4.85 0.00 2.96 2.90 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 26 L 8.92 4.88 0.00 1.81 1.71 0.95 0.76 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 27 V 8.94 3.93 2.11 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 0.95 0.00 0.00 1.00 0.00 0.00 28 N 8.04 4.51 0.00 2.83 2.96 0.00 0.00 6.24 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 8.08 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.49 3.88 2.02 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 1.13 0.57 0.90 0.00 0.00 31 K 8.56 4.58 0.00 1.54 1.56 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.92 0.42 7.81 32 L 8.89 4.82 0.00 1.56 1.47 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 9.46 4.90 0.00 1.83 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.13 0.00 0.00 0.00 0.00 0.00 2.15 2.24 0.00 34 G 6.89 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 7.42 4.90 0.00 1.92 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.95 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 36 I 8.21 4.30 1.86 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 1.19 1.24 0.98 0.00 0.00 37 E 9.25 4.17 0.00 1.95 2.14 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 2.31 2.30 0.00 38 S 7.76 4.83 0.00 3.81 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 39 F 7.91 5.17 0.00 3.26 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 8.47 4.79 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 8.75 3.99 0.00 1.75 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.89 0.00 0.00 0.00 0.00 0.00 1.16 1.99 0.00 42 F 7.98 5.07 0.00 3.17 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 8.79 5.04 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 0.38 0.00 0.00 0.91 0.00 0.00 44 I 8.69 5.07 1.88 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 1.27 0.70 0.93 0.00 0.00 45 L 9.03 4.91 0.00 1.74 1.60 0.91 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.85 5.01 0.00 1.74 1.52 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.81 5.19 0.00 1.83 1.90 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.78 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.20 7.81 48 N 8.42 4.70 0.00 2.62 1.82 0.00 0.00 7.09 7.70 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 49 T 9.21 4.02 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 1.21 0.00 0.00 50 V 7.31 4.40 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 0.84 0.00 0.00 0.93 0.00 0.00 51 S 8.46 4.86 0.00 3.82 3.76 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 0.00 0.00 0.00 0.00 52 Q 8.94 4.74 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.85 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 53 M 8.62 4.62 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.15 0.00 54 V 8.69 4.37 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 1.02 0.00 0.00 0.92 0.00 0.00 55 Y 8.53 4.45 0.00 2.93 2.41 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 56 K 9.21 3.94 0.00 1.93 1.95 0.00 1.88 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.50 1.56 7.81 57 H 8.37 4.29 0.00 3.28 3.56 0.00 5.53 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 58 A 8.23 4.56 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 59 I 7.81 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 1.62 0.91 0.98 0.00 0.00 60 S 9.29 4.75 0.00 3.97 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 61 T 7.75 4.90 4.28 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 0.00 0.00 0.00 1.18 0.00 0.00 62 V 8.49 4.78 2.19 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 0.90 0.00 0.00 0.97 0.00 0.00 63 V 8.95 4.45 2.31 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 1.10 0.00 0.00 1.09 0.00 0.00 64 P 0.00 4.82 0.00 2.09 1.92 0.00 3.84 0.00 0.00 4.08 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 65 S 8.86 4.52 0.00 3.88 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 66 R 7.69 4.70 0.00 1.86 1.87 0.00 3.04 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.61 0.00 67 P 0.00 4.35 0.00 2.06 2.05 0.00 3.62 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 2.04 2.13 0.00 68 V 7.65 4.36 1.94 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 0.63 0.00 0.00 0.73 0.00 0.00 69 R 8.52 4.16 0.00 1.91 1.93 0.00 3.32 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00