NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7418 8.2085 109.7400 45.3299 0.0000 172.8752 *23 A 4.2948 8.1508 123.6892 51.7791 19.7153 176.1973 24 S 4.5771 8.3494 114.5200 57.4132 63.4075 174.4380 25 I 4.0808 8.2406 125.6955 62.4967 38.1969 176.0931 26 V 3.3862 7.7072 121.0563 62.0013 31.5556 176.0798 27 G 3.5976 7.4515 114.3254 45.3033 0.0000 170.2699 28 S 4.6549 7.3642 115.2894 56.4597 65.2046 173.4975 29 W 5.1600 8.7915 125.0945 55.0477 31.3266 175.4509 30 V 5.4182 9.3976 117.7747 59.7723 36.2188 174.0888 31 E 5.0822 9.3502 119.0586 53.8676 33.2743 173.3238 32 P 4.6203 0.0000 0.0000 62.9316 32.6796 176.1785 33 V 4.0706 8.3893 123.2371 60.9859 32.5533 173.8510 34 P 4.3679 0.0000 0.0000 64.1803 31.5443 176.8847 35 G 3.8422 8.9928 110.1403 45.6514 0.0000 173.2153 36 L 4.5671 7.6558 119.6360 52.1398 43.1718 175.6471 37 E 4.0074 8.6060 124.8304 57.3048 30.1372 176.8844 38 G 3.9727 8.9432 112.3857 45.9635 0.0000 172.8816 39 Q 4.7013 7.7426 116.3101 53.9180 32.7653 174.8292 40 V 5.0499 8.4150 114.9315 59.7773 36.0248 174.4845 41 Q 4.7485 9.1728 118.8923 54.6534 32.2050 175.3990 42 G 4.0751 7.4997 106.5594 46.4434 0.0000 170.9740 43 I 4.7950 7.5527 121.3671 59.5630 40.9662 175.7921 44 K 4.5559 8.8356 129.0116 55.0123 35.0315 174.5050 *46 E 4.5870 8.4035 118.8854 55.8224 31.2386 175.7634 47 E 4.1157 8.8097 120.3527 58.3408 29.9139 178.0844 48 G 3.8060 8.6792 110.3670 44.9459 0.0000 174.4792 49 G 3.0749 7.8636 108.1845 44.6524 0.0000 173.4498 50 V 4.3051 7.6274 119.8784 62.7473 32.0353 174.9570 51 A 5.4587 8.6862 129.6636 50.4326 21.7553 175.4862 52 S 5.1021 8.8803 113.7407 56.0928 67.0438 173.5803 53 S 4.8117 8.8830 117.7926 58.7303 63.8452 173.8197 54 V 3.9674 9.0404 124.8407 61.8683 32.8090 173.1649 55 N 4.3820 8.8662 126.6635 54.0346 36.3428 172.6147 *57 A 4.4556 8.0328 123.3706 51.9175 21.0554 178.4923 58 T 4.1756 7.8896 111.9606 65.9298 69.8249 175.0403 59 L 4.9162 7.9163 120.4461 53.2500 43.5543 176.9538 60 V 4.3278 8.9401 124.0634 61.0775 33.1512 174.0833 61 Y 4.3827 8.8681 125.7109 58.0738 38.8059 176.4202 62 E 4.8074 9.6695 120.0993 57.3668 33.6308 175.7250 63 S 5.4078 7.9637 112.5642 56.8842 66.8912 173.3651 64 W 5.8793 8.8354 117.4573 55.0762 31.5573 174.5199 65 K 4.1901 9.2078 122.3046 55.1912 35.3842 174.1911 66 Q 5.1174 8.8857 128.7098 54.7231 31.0204 174.9804 67 E 4.5382 9.1130 125.8916 55.0164 32.0737 177.2435 68 G 3.8550 8.1737 117.2699 47.1741 0.0000 172.5133 69 T 4.4021 8.6411 115.7930 61.0027 69.0100 173.3155 70 K 4.9072 8.0178 122.1629 54.8842 35.0501 174.9214 71 L 5.2080 8.3886 124.7974 53.4323 45.5113 174.6938 72 I 4.6949 9.0861 127.6157 59.7495 39.4864 174.5194 73 L 5.6304 9.2993 127.6544 53.1913 44.7355 175.7913 74 T 4.9654 8.9857 112.7487 58.5630 72.6748 174.3632 75 G 3.1507 6.3205 107.1965 45.8437 0.0000 171.3673 76 K 5.1185 7.6355 118.2711 55.3819 36.6136 175.4837 77 S 5.2972 9.0518 116.0920 56.8463 65.9164 172.6880 78 I 4.6731 8.6147 123.5378 59.8148 38.6340 175.2695 79 G 4.2198 8.7536 115.2914 43.3263 0.0000 172.0536 80 N 4.3743 8.8403 116.9449 56.8018 39.1298 176.3938 81 G 3.6816 8.2447 108.0209 48.7855 0.0000 173.4324 82 Q 4.5401 7.5401 116.6967 53.5643 31.9048 174.5726 83 T 5.2025 8.3007 109.6521 63.7121 72.3013 173.9585 84 I 4.6359 8.4518 125.7490 59.4339 40.6446 175.0810 85 E 4.7401 8.9144 126.4982 56.2816 30.3814 176.0133 86 F 5.0798 8.6188 116.6819 55.3059 42.1277 173.9114 87 V 4.6899 8.5728 119.0429 61.6504 33.9657 174.0061 88 D 5.0880 9.6886 129.1852 53.0460 42.8364 176.0781 89 T 5.2363 8.3945 119.4040 61.1025 71.6312 173.6039 *91 D 4.5527 8.3514 122.1805 54.3983 42.7643 174.6636 92 I 4.3960 9.0327 125.4322 60.9533 37.1032 175.8664 93 K 4.4306 9.1912 127.0764 57.0343 33.8378 177.0462 94 R 4.5885 7.6050 119.6399 54.7867 33.8036 173.9416 95 L 4.7982 8.3954 128.5018 54.6393 42.6700 173.9771 96 T 4.7624 9.0201 116.9834 59.2754 71.9666 174.6288 97 A 4.3477 8.7614 123.1177 54.7673 18.4577 178.0265 98 D 4.9505 7.7977 112.6298 54.5760 42.7069 175.9675 99 S 5.4421 8.4557 114.6090 56.9471 68.1740 172.9143 100 L 4.6581 8.8371 123.8990 53.2620 45.0883 175.0563 101 V 4.7776 8.5735 126.5219 61.1068 33.9066 174.2361 102 L 5.2788 8.7887 127.5364 53.1349 45.0178 175.0037 103 D 4.8778 8.8655 120.6745 52.7480 44.6178 174.5450 104 N 4.7016 8.6322 122.9825 52.1762 40.3727 173.8862 105 Q 3.1575 9.8294 128.1992 57.0238 27.0156 175.6754 106 G 3.9485 8.4912 103.8371 45.8920 0.0000 172.8754 *108 E 4.3765 7.3935 115.5662 56.3798 31.6780 176.8346 109 I 4.4421 8.4726 120.6927 59.2186 41.4893 173.6310 110 R 4.8746 8.4328 129.1213 54.8248 31.8744 174.4434 111 Y 5.1254 9.2978 123.4522 56.2643 41.6216 174.4114 112 A 5.4677 8.9509 123.5335 49.8973 22.2447 175.9738 113 K 3.8149 8.7010 123.2367 56.0140 32.6765 176.6281 114 Q 4.1251 8.6888 130.2513 56.0000 29.7978 176.1191 115 K 4.0993 8.2389 124.2130 56.7495 33.2794 176.0420 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 0 G 8.21 3.74 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 0.00 0.00 0.00 *23 A 8.15 4.29 1.34 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 24 S 8.35 4.58 0.00 3.89 3.80 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 25 I 8.24 4.08 1.82 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.61 0.69 0.00 0.00 26 V 7.71 3.39 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 0.81 0.00 0.00 1.09 0.00 0.00 27 G 7.45 3.60 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 0.00 0.00 0.00 28 S 7.36 4.65 0.00 3.55 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.79 5.16 0.00 2.75 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 30 V 9.40 5.42 2.15 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 0.76 0.00 0.00 1.02 0.00 0.00 31 E 9.35 5.08 0.00 1.93 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 2.48 2.30 0.00 32 P 0.00 4.62 0.00 1.96 2.04 0.00 3.66 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 33 V 8.39 4.07 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 0.96 0.00 0.00 0.97 0.00 0.00 34 P 0.00 4.37 0.00 2.08 1.99 0.00 3.83 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 35 G 8.99 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.66 4.57 0.00 1.71 1.59 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.61 4.01 0.00 1.93 1.85 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 2.29 2.31 0.00 38 G 8.94 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 0.00 0.00 0.00 39 Q 7.74 4.70 0.00 2.03 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.28 6.56 0.00 0.00 0.00 0.00 0.00 2.27 2.46 0.00 40 V 8.42 5.05 2.20 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 0.76 0.00 0.00 0.94 0.00 0.00 41 Q 9.17 4.75 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.78 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 42 G 7.50 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 I 7.55 4.80 1.47 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.43 0.64 0.00 0.00 44 K 8.84 4.56 0.00 1.74 1.69 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.32 7.81 *46 E 8.40 4.59 0.00 2.24 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 0.00 2.33 2.42 0.00 47 E 8.81 4.12 0.00 2.02 1.96 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 2.41 2.32 0.00 48 G 8.68 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.86 3.07 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 0.00 0.00 0.00 0.00 50 V 7.63 4.31 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 0.86 0.00 0.00 0.96 0.00 0.00 51 A 8.69 5.46 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.88 5.10 0.00 3.91 3.98 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 0.00 0.00 0.00 53 S 8.88 4.81 0.00 3.90 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 54 V 9.04 3.97 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 0.93 0.00 0.00 0.90 0.00 0.00 55 N 8.87 4.38 0.00 2.86 2.96 0.00 0.00 7.16 7.96 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 *57 A 8.03 4.46 1.34 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 58 T 7.89 4.18 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 1.30 0.00 0.00 59 L 7.92 4.92 0.00 1.68 1.67 1.09 0.74 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 60 V 8.94 4.33 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 1.08 0.00 0.00 0.95 0.00 0.00 61 Y 8.87 4.38 0.00 3.09 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 62 E 9.67 4.81 0.00 1.74 1.88 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 2.19 2.30 0.00 63 S 7.96 5.41 0.00 4.02 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 64 W 8.84 5.88 0.00 3.43 3.07 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 0.00 65 K 9.21 4.19 0.00 1.71 1.61 0.00 1.30 0.00 0.00 1.44 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.28 1.40 7.81 66 Q 8.89 5.12 0.00 2.43 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 67 E 9.11 4.54 0.00 2.01 1.83 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 2.21 2.23 0.00 68 G 8.17 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 69 T 8.64 4.40 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 70 K 8.02 4.91 0.00 1.86 1.76 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.77 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.51 7.81 71 L 8.39 5.21 0.00 1.74 1.49 1.17 0.90 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 72 I 9.09 4.69 1.93 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 1.27 0.88 0.97 0.00 0.00 73 L 9.30 5.63 0.00 1.82 1.98 0.93 0.39 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 74 T 8.99 4.97 4.19 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 1.22 0.00 0.00 75 G 6.32 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 0.00 0.00 0.00 76 K 7.64 5.12 0.00 1.81 1.88 0.00 1.24 0.00 0.00 1.79 0.00 0.00 3.23 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.21 1.34 7.81 77 S 9.05 5.30 0.00 3.94 4.04 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 78 I 8.61 4.67 1.89 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 1.17 0.73 0.92 0.00 0.00 79 G 8.75 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 80 N 8.84 4.37 0.00 2.68 2.86 0.00 0.00 6.87 7.98 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 81 G 8.24 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 82 Q 7.54 4.54 0.00 1.93 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.21 6.81 0.00 0.00 0.00 0.00 0.00 2.26 1.94 0.00 83 T 8.30 5.20 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 1.28 0.00 0.00 84 I 8.45 4.64 1.93 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 1.25 0.99 0.96 0.00 0.00 85 E 8.91 4.74 0.00 1.82 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 2.24 2.19 0.00 86 F 8.62 5.08 0.00 2.99 3.05 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 0.00 0.00 0.00 0.00 87 V 8.57 4.69 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 0.89 0.00 0.00 0.94 0.00 0.00 88 D 9.69 5.09 0.00 2.78 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 89 T 8.39 5.24 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 1.24 0.00 0.00 *91 D 8.35 4.55 0.00 2.74 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 92 I 9.03 4.40 1.91 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 1.14 0.46 0.82 0.00 0.00 93 K 9.19 4.43 0.00 1.54 1.82 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.48 7.81 94 R 7.60 4.59 0.00 1.84 1.72 0.00 3.21 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 95 L 8.40 4.80 0.00 1.50 1.47 0.85 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 96 T 9.02 4.76 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 1.23 0.00 0.00 97 A 8.76 4.35 1.33 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 98 D 7.80 4.95 0.00 2.77 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 99 S 8.46 5.44 0.00 3.79 3.74 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 0.00 100 L 8.84 4.66 0.00 0.27 0.55 0.46 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.57 4.78 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 0.76 0.00 0.00 0.89 0.00 0.00 102 L 8.79 5.28 0.00 1.62 1.52 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 103 D 8.87 4.88 0.00 2.60 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.63 4.70 0.00 2.65 2.68 0.00 0.00 7.32 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 0.00 105 Q 9.83 3.16 0.00 2.42 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.90 0.00 0.00 0.00 0.00 0.00 2.29 1.90 0.00 106 G 8.49 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 *108 E 7.39 4.38 0.00 2.13 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 2.14 2.27 0.00 109 I 8.47 4.44 1.73 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.71 0.91 0.00 0.00 110 R 8.43 4.87 0.00 1.77 1.70 0.00 3.22 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 111 Y 9.30 5.13 0.00 2.88 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 0.00 112 A 8.95 5.47 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 K 8.70 3.81 0.00 1.41 1.58 0.00 1.09 0.00 0.00 0.61 0.00 0.00 2.41 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.17 1.08 7.81 114 Q 8.69 4.13 0.00 1.94 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.52 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 115 K 8.24 4.10 0.00 1.66 1.55 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.22 1.49 7.81 * Residues marked with a * may have inaccurate shift predictions.