NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 R 4.0623 8.2549 120.8325 56.0239 30.4838 174.6825 9 P 3.8886 0.0000 0.0000 61.9740 29.9794 177.2702 10 F 3.8068 8.7988 124.2180 59.9736 39.8803 177.5303 11 S 4.1363 8.2088 113.3249 62.0420 63.0597 176.2850 12 D 4.5149 8.6302 121.2697 57.5415 40.0669 179.1192 13 I 3.6486 7.5677 119.5754 64.3764 37.0569 178.0987 14 I 2.8584 7.7553 118.3231 62.8751 36.8808 176.6935 15 T 4.6140 7.1226 114.6609 63.8689 70.0120 175.7209 16 S 4.2262 7.7113 117.9103 58.4338 63.8516 175.5367 17 V 3.9360 8.6600 125.9472 65.4725 31.2933 177.9240 18 R 3.8702 8.0503 118.4025 59.7014 30.0691 177.0337 19 Y 3.8825 7.7844 118.9227 61.0340 38.6224 178.4953 20 W 4.5250 7.9138 118.4524 59.8973 29.0234 178.6586 21 V 3.8807 8.0306 117.3359 65.8344 31.0953 177.9074 22 I 3.9143 7.5741 119.4479 64.4447 37.2707 177.9196 23 H 4.7845 8.6471 118.1566 57.5206 28.2721 177.8886 24 S 4.2561 8.5715 116.0770 60.7552 62.8934 176.1454 25 I 4.0673 7.5798 123.3729 63.8621 37.4961 177.7015 26 T 3.8263 7.7532 110.3787 65.3273 68.5128 175.8275 27 I 3.7460 7.9536 123.5943 63.6507 37.1215 176.5594 28 P 4.3460 0.0000 0.0000 65.6229 31.2273 178.1568 29 A 4.0238 7.7842 119.8243 55.2204 18.2682 179.2697 30 L 3.9504 8.2297 116.4070 58.2572 41.7917 179.3396 31 F 3.9575 8.4452 120.0852 61.7009 39.3045 177.0338 32 I 3.8836 8.7359 119.3508 64.5246 36.8782 178.2734 33 A 4.1172 8.1234 121.7446 55.1352 18.4179 179.6792 34 G 3.6792 8.1932 103.7907 47.6905 0.0000 175.0764 35 W 4.0169 8.4224 130.7125 60.6199 30.6592 177.9116 36 L 4.7881 8.3614 119.9480 57.3124 41.0850 179.2371 37 F 4.3780 8.4974 120.7202 61.4201 39.1316 177.3297 38 V 3.1716 7.6433 117.2784 65.6588 31.4940 178.1765 39 S 4.1808 8.3157 114.3650 60.8131 62.4252 175.3020 40 T 4.5715 7.9142 111.8766 60.8365 69.4251 175.5300 41 G 3.9340 8.2804 110.3703 46.4452 0.0000 175.6370 42 L 3.9607 7.5864 121.3298 58.0972 41.9693 178.4555 43 A 3.3025 7.0127 120.5713 55.5382 18.1294 179.1389 44 Y 4.2832 7.1253 113.4723 61.3208 37.6649 178.4841 45 D 4.5442 8.0967 118.8370 56.5737 41.2764 178.7427 46 V 3.5969 7.6707 117.4890 64.6640 31.5723 176.2917 47 F 4.8730 7.6512 115.6190 56.1427 39.9303 175.3039 48 G 4.1606 7.8560 106.0109 46.4832 0.0000 173.8201 49 T 4.1532 7.6188 115.9578 61.9506 68.9615 173.2235 50 P 3.9750 0.0000 0.0000 62.5375 32.0037 176.4191 51 R 3.5896 7.7675 120.7150 54.4305 31.0365 175.9293 52 P 4.1910 0.0000 0.0000 65.2945 31.4467 176.7296 53 D 5.0449 7.8095 115.9780 53.1102 39.5953 176.2652 54 S 4.6334 8.4110 114.6105 59.4514 64.3582 175.4033 55 Y 3.8390 8.2427 119.1056 59.8230 38.2500 175.2963 56 Y 4.9337 7.5489 113.3407 55.7142 41.7764 174.6769 57 A 4.4129 8.7582 124.4425 51.2216 19.6264 177.6478 58 Q 4.1290 8.8144 120.4769 59.7364 29.0437 178.5415 59 E 4.0831 8.2191 114.9176 59.0596 30.0004 177.0073 60 Q 3.9344 7.8739 117.7735 56.7887 29.4160 176.4487 61 R 3.8661 8.1649 120.5732 55.5607 31.4509 174.8448 62 S 4.5655 7.8231 110.3359 57.5396 63.5450 172.9684 63 I 4.3984 7.9163 124.7215 59.2441 38.9870 175.1749 64 P 3.1125 0.0000 0.0000 61.1839 29.8021 176.1906 65 L 4.0451 7.1179 120.6527 54.9487 43.0182 176.2151 66 V 3.9153 8.5964 126.9126 63.4775 31.6690 175.4149 67 T 4.5398 8.9271 117.1791 61.4159 69.5581 174.1900 68 D 4.6138 7.8067 121.3107 51.9183 41.9874 174.8327 69 R 3.7603 8.2630 120.3977 59.4614 29.7938 178.5167 70 F 4.4390 7.4666 118.2874 59.8480 39.3267 177.2433 71 E 4.6203 8.4275 118.9334 56.4968 30.5521 178.9371 72 A 3.8776 7.9584 122.2901 55.1703 18.6110 179.6905 73 K 3.7358 8.0953 117.5234 59.9145 32.1002 178.2843 74 Q 3.9155 8.0598 118.9554 59.3602 28.7360 178.0200 75 Q 3.6783 7.6630 119.3198 58.8900 29.3129 178.0295 76 V 3.8022 8.2067 119.6385 66.0813 31.4811 177.6419 77 E 3.9554 8.1917 118.2890 60.0768 29.3627 179.7170 78 T 3.8884 7.6272 115.0425 66.4765 68.1691 176.8285 79 F 4.6726 7.6304 119.2779 60.5942 39.1804 177.3983 80 L 4.3259 7.8693 118.5848 57.3844 41.0850 178.9693 81 E 4.1262 8.0559 119.3060 59.2540 29.2216 181.1399 82 Q 4.2734 7.9996 114.7360 56.0727 27.9452 176.0500 83 L 3.6213 9.7167 114.9927 56.6448 39.8397 174.8081 84 K 4.1255 7.6368 123.1779 56.6035 32.0498 175.8499 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 8 R 8.25 4.06 0.00 1.71 1.83 0.00 3.20 0.00 0.00 3.16 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.60 0.00 9 P 0.00 3.89 0.00 2.50 1.98 0.00 3.62 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 2.08 2.12 0.00 10 F 8.80 3.81 0.00 3.08 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 11 S 8.21 4.14 0.00 3.85 3.99 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 12 D 8.63 4.51 0.00 2.71 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 13 I 7.57 3.65 1.85 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.99 0.92 0.00 0.00 14 I 7.76 2.86 1.76 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.60 0.91 0.00 0.00 15 T 7.12 4.61 4.41 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 1.28 0.00 0.00 16 S 7.71 4.23 0.00 4.12 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 17 V 8.66 3.94 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 1.21 0.00 0.00 1.04 0.00 0.00 18 R 8.05 3.87 0.00 1.92 1.94 0.00 3.43 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 19 Y 7.78 3.88 0.00 3.02 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 20 W 7.91 4.53 0.00 3.60 3.26 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 0.00 21 V 8.03 3.88 2.37 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 0.85 0.00 0.00 1.04 0.00 0.00 22 I 7.57 3.91 1.69 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 1.45 0.94 0.71 0.00 0.00 23 H 8.65 4.78 0.00 2.77 3.28 0.00 5.82 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.57 4.26 0.00 4.03 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 0.00 25 I 7.58 4.07 1.97 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 1.70 1.35 0.90 0.00 0.00 26 T 7.75 3.83 4.18 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 0.00 0.00 0.00 1.13 0.00 0.00 27 I 7.95 3.75 2.11 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.07 1.04 0.00 0.00 28 P 0.00 4.35 0.00 2.16 2.07 0.00 3.89 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.15 0.00 29 A 7.78 4.02 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.23 3.95 0.00 1.96 1.81 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 31 F 8.45 3.96 0.00 3.27 3.22 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 32 I 8.74 3.88 1.95 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 1.49 0.74 0.92 0.00 0.00 33 A 8.12 4.12 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.19 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.42 4.02 0.00 3.57 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.36 4.79 0.00 2.13 1.86 0.99 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 37 F 8.50 4.38 0.00 3.00 3.26 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 0.00 38 V 7.64 3.17 1.90 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 0.75 0.00 0.00 0.69 0.00 0.00 39 S 8.32 4.18 0.00 4.23 4.17 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 0.00 0.00 0.00 0.00 40 T 7.91 4.57 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 1.30 0.00 0.00 41 G 8.28 3.93 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 0.00 0.00 0.00 42 L 7.59 3.96 0.00 1.85 1.85 0.96 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 43 A 7.01 3.30 0.37 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 44 Y 7.13 4.28 0.00 3.20 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 45 D 8.10 4.54 0.00 2.73 2.71 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 46 V 7.67 3.60 1.55 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 0.14 0.00 0.00 0.98 0.00 0.00 47 F 7.65 4.87 0.00 3.07 2.96 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 48 G 7.86 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 49 T 7.62 4.15 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 50 P 0.00 3.98 0.00 0.67 1.44 0.00 3.53 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 1.67 1.84 0.00 51 R 7.77 3.59 0.00 1.52 1.46 0.00 2.96 0.00 0.00 3.09 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.03 0.00 52 P 0.00 4.19 0.00 2.03 2.20 0.00 3.49 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.17 0.00 53 D 7.81 5.04 0.00 2.72 2.71 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 54 S 8.41 4.63 0.00 3.50 3.64 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 55 Y 8.24 3.84 0.00 2.76 2.32 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.55 4.93 0.00 2.93 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 57 A 8.76 4.41 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.81 4.13 0.00 2.01 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.00 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 59 E 8.22 4.08 0.00 2.00 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 2.29 2.28 0.00 60 Q 7.87 3.93 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.16 0.00 0.00 0.00 0.00 0.00 2.47 2.42 0.00 61 R 8.16 3.87 0.00 1.54 1.64 0.00 3.15 0.00 0.00 2.99 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.08 0.00 62 S 7.82 4.57 0.00 3.87 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 63 I 7.92 4.40 1.87 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 1.50 0.86 0.86 0.00 0.00 64 P 0.00 3.11 0.00 1.41 1.41 0.00 3.58 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 65 L 7.12 4.05 0.00 1.59 1.66 0.92 1.04 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 66 V 8.60 3.92 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 0.90 0.00 0.00 1.05 0.00 0.00 67 T 8.93 4.54 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 1.34 0.00 0.00 68 D 7.81 4.61 0.00 2.75 2.63 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 69 R 8.26 3.76 0.00 1.60 1.89 0.00 2.58 0.00 0.00 2.61 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.50 0.00 70 F 7.47 4.44 0.00 3.13 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 71 E 8.43 4.62 0.00 2.24 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 0.00 2.34 2.48 0.00 72 A 7.96 3.88 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 73 K 8.10 3.74 0.00 1.84 1.85 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.53 7.81 74 Q 8.06 3.92 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.68 0.00 0.00 0.00 0.00 0.00 2.52 2.41 0.00 75 Q 7.66 3.68 0.00 2.08 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.72 0.00 0.00 0.00 0.00 0.00 1.89 1.83 0.00 76 V 8.21 3.80 2.26 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 1.05 0.00 0.00 1.08 0.00 0.00 77 E 8.19 3.96 0.00 2.28 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 2.32 2.36 0.00 78 T 7.63 3.89 4.07 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 0.00 0.00 1.16 0.00 0.00 79 F 7.63 4.67 0.00 3.25 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 L 7.87 4.33 0.00 1.82 1.73 0.92 1.13 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 81 E 8.06 4.13 0.00 2.27 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 0.00 2.54 2.47 0.00 82 Q 8.00 4.27 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.93 0.00 0.00 0.00 0.00 0.00 2.44 2.63 0.00 83 L 9.72 3.62 0.00 1.83 1.79 0.93 0.78 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 84 K 7.64 4.13 0.00 1.77 1.93 0.00 1.91 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.29 7.81