NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 81 I 4.2666 7.8676 114.3988 60.8405 39.5839 173.8975 82 I 4.6992 8.2229 119.2623 58.9621 40.2671 169.4940 83 V 5.0674 8.5949 117.4109 59.5327 36.4524 175.8911 84 V 4.9156 8.5334 121.5741 59.6262 34.4533 174.7940 85 A 4.3815 8.6764 126.2022 52.2280 18.6681 178.2569 86 L 4.1313 8.9474 123.2206 56.6144 42.4332 176.3897 87 Y 5.0658 7.5182 113.8410 56.3105 42.3321 174.5812 88 D 4.9530 8.8999 120.3934 54.8672 41.6759 175.6481 89 Y 4.6518 8.6976 122.2667 56.1454 42.2628 173.4773 90 E 4.3746 7.8982 125.7618 54.4456 31.1471 175.9353 91 A 3.9202 8.0784 128.0359 52.4522 18.9938 176.9699 92 I 3.9997 8.6223 124.1697 63.6758 38.1551 176.1021 93 H 4.5887 8.0268 117.7466 55.4568 31.3260 173.7850 94 H 4.5758 7.6516 113.5175 57.6812 29.3091 175.8564 95 E 4.7981 7.9835 118.1768 56.7059 30.2266 175.8175 96 D 5.5994 7.9187 119.5190 53.0925 42.8134 175.5896 97 L 4.8467 9.0932 124.2377 53.6452 43.9967 175.7101 98 S 4.9234 9.0559 122.4022 56.7019 63.9578 173.3460 99 F 5.2955 8.0421 118.5806 55.4292 42.0764 173.1298 100 Q 5.3707 9.6464 118.2797 53.2956 32.6716 175.4472 101 K 4.3311 9.0808 120.6917 58.5766 32.9565 176.4544 102 G 4.0991 9.1548 111.1040 45.4419 0.0000 173.8369 103 D 4.5563 7.7780 118.7061 55.0418 42.1669 175.8225 104 Q 5.2114 8.6779 120.5349 54.4290 31.6160 174.4565 105 M 5.1590 8.8318 119.7707 53.6487 35.4770 173.9443 106 V 4.2822 8.6252 121.3593 61.6987 33.2934 175.0063 107 V 4.1290 8.2031 129.1117 62.9849 31.1948 175.6665 108 L 4.2756 8.7835 129.3653 57.2022 42.4265 177.6683 109 E 4.5311 7.8391 116.9791 54.0331 33.7762 176.3337 110 E 3.8204 8.0794 125.7684 54.6207 28.8132 176.1673 111 S 4.4683 8.0695 116.8302 60.9658 65.2051 176.9454 112 G 4.3326 7.6197 109.0134 46.7137 0.0000 175.0378 113 E 4.2546 9.0832 129.3259 57.0793 31.5540 175.3008 114 W 5.0623 8.4170 120.0123 54.6274 31.7769 174.8318 115 W 5.5203 9.0542 124.6440 54.8826 31.9074 174.9603 116 K 4.4317 9.1448 124.7668 55.9046 33.2900 175.3767 117 A 5.1303 9.3028 127.6363 50.9239 23.5749 174.7350 118 R 4.9451 8.8799 119.4394 54.3027 32.8343 174.7047 119 S 4.5222 8.9036 121.8394 58.5550 62.9488 174.8366 120 L 4.0221 8.8747 126.9462 57.3186 41.6867 178.2171 121 A 4.2076 8.2504 121.7876 54.8235 19.4324 178.6451 122 T 4.0329 8.0853 104.7714 62.6467 69.4196 176.9558 123 R 4.3140 7.7702 119.1180 55.9047 29.3499 176.4977 124 K 4.3413 7.3980 116.6341 55.9780 32.7384 175.3293 125 E 5.1599 8.9751 117.3966 54.0040 33.1279 175.3475 126 G 3.8946 7.8599 104.4761 46.3871 0.0000 170.8663 127 Y 5.3472 8.2311 117.7544 57.2352 40.1068 175.1415 128 I 5.1083 9.1134 114.9025 58.6689 41.9377 172.4680 129 P 3.5283 0.0000 0.0000 61.6558 31.5148 177.6707 130 S 3.1449 8.0440 120.7139 59.9456 62.7510 174.8269 131 N 4.4660 7.5896 116.8428 53.7930 37.8626 175.0141 132 Y 4.5283 7.9682 116.7590 58.5688 38.6766 175.0201 133 V 4.9467 7.2905 111.5686 59.2546 35.7382 174.6280 134 A 4.7778 8.6142 122.8056 50.0507 22.4430 175.8391 135 R 4.3121 8.6528 120.6175 55.9665 31.0825 177.1222 136 V 3.7739 8.0614 122.0758 63.1660 31.4957 175.5373 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 81 I 7.87 4.27 1.81 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.38 0.86 0.00 0.00 82 I 8.22 4.70 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 1.33 0.58 0.89 0.00 0.00 83 V 8.59 5.07 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 0.95 0.00 0.00 0.99 0.00 0.00 84 V 8.53 4.92 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.96 0.00 0.00 85 A 8.68 4.38 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 8.95 4.13 0.00 0.34 0.67 0.66 0.57 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 87 Y 7.52 5.07 0.00 2.80 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 88 D 8.90 4.95 0.00 2.66 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 89 Y 8.70 4.65 0.00 2.28 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 7.90 4.37 0.00 1.58 1.58 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 2.11 2.13 0.00 91 A 8.08 3.92 1.25 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 0.00 0.00 92 I 8.62 4.00 2.02 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.70 0.95 0.00 0.00 93 H 8.03 4.59 0.00 2.93 3.28 0.00 5.94 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 H 7.65 4.58 0.00 3.28 3.46 0.00 5.50 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 E 7.98 4.80 0.00 2.11 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 2.57 2.60 0.00 96 D 7.92 5.60 0.00 2.82 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 97 L 9.09 4.85 0.00 1.99 1.88 1.05 0.99 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 98 S 9.06 4.92 0.00 3.81 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 99 F 8.04 5.30 0.00 3.15 3.19 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 0.00 0.00 0.00 0.00 100 Q 9.65 5.37 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 7.03 0.00 0.00 0.00 0.00 0.00 2.43 2.32 0.00 101 K 9.08 4.33 0.00 1.88 1.91 0.00 1.66 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.64 1.44 7.81 102 G 9.15 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 D 7.78 4.56 0.00 2.82 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 Q 8.68 5.21 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.83 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 105 M 8.83 5.16 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 106 V 8.63 4.28 2.06 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 0.97 0.00 0.00 0.92 0.00 0.00 107 V 8.20 4.13 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 0.52 0.00 0.00 1.03 0.00 0.00 108 L 8.78 4.28 0.00 1.62 1.65 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 109 E 7.84 4.53 0.00 1.86 1.80 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 2.27 2.30 0.00 110 E 8.08 3.82 0.00 1.61 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.70 0.00 111 S 8.07 4.47 0.00 4.45 4.15 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 0.00 112 G 7.62 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 E 9.08 4.25 0.00 2.05 1.89 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 2.40 2.42 0.00 114 W 8.42 5.06 0.00 3.27 3.23 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 0.00 115 W 9.05 5.52 0.00 3.30 3.04 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 0.00 116 K 9.14 4.43 0.00 1.44 1.59 0.00 1.37 0.00 0.00 1.61 0.00 0.00 2.68 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.18 0.74 7.81 117 A 9.30 5.13 1.25 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 0.00 0.00 118 R 8.88 4.95 0.00 1.83 1.73 0.00 3.10 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 119 S 8.90 4.52 0.00 4.03 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 0.00 120 L 8.87 4.02 0.00 1.67 1.71 0.92 1.07 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 0.00 121 A 8.25 4.21 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 0.00 122 T 8.09 4.03 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 1.26 0.00 0.00 123 R 7.77 4.31 0.00 2.02 2.29 0.00 3.17 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 124 K 7.40 4.34 0.00 1.97 1.78 0.00 1.63 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.41 7.81 125 E 8.98 5.16 0.00 2.16 1.87 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 2.17 2.29 0.00 126 G 7.86 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 0.00 0.00 0.00 127 Y 8.23 5.35 0.00 3.33 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 I 9.11 5.11 1.81 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.73 1.09 0.00 0.00 129 P 0.00 3.53 0.00 1.39 0.98 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 130 S 8.04 3.14 0.00 2.72 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 0.00 131 N 7.59 4.47 0.00 2.80 2.86 0.00 0.00 6.03 7.55 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 0.00 132 Y 7.97 4.53 0.00 3.20 3.28 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 0.00 133 V 7.29 4.95 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 0.36 0.00 0.00 0.74 0.00 0.00 134 A 8.61 4.78 1.13 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 0.00 135 R 8.65 4.31 0.00 1.75 1.91 0.00 3.27 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.78 0.00 136 V 8.06 3.77 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 0.70 0.00 0.00 0.96 0.00 0.00