NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 25 V 4.0782 7.8976 120.3906 62.5724 33.4630 177.1747 26 S 4.0016 8.1662 113.3633 60.4576 63.0479 173.3302 27 L 4.4622 8.5078 120.5724 54.5384 43.2437 178.8635 28 E 3.9247 8.1709 121.0245 59.6857 29.4530 179.4994 29 S 4.0772 7.8996 113.5022 61.4908 63.2463 176.3678 30 S 3.6580 7.8373 118.3248 61.0043 62.4332 176.5440 31 R 3.6930 8.0548 121.8753 59.6149 29.8085 178.7480 32 T 3.8263 7.7608 109.6588 64.6720 68.6719 176.2173 33 Q 3.9305 7.8230 122.1879 59.3250 29.0203 177.9890 34 Y 4.3920 7.7453 117.7837 61.0597 37.8055 178.4670 35 V 3.6435 8.1835 119.4962 66.1251 31.6342 177.8079 36 N 4.3383 8.5201 116.5068 56.3472 38.3177 177.2188 37 Q 4.0025 8.1193 120.9588 59.1756 29.2098 178.1541 38 L 4.0183 8.2738 120.3612 57.7059 41.6414 179.5380 39 R 3.9401 8.3298 119.0760 59.5279 30.0694 178.8123 40 S 4.2438 8.2479 114.1556 61.5524 62.9047 175.8213 41 H 4.1233 8.5449 121.7650 59.0790 29.5514 177.1798 42 A 4.1105 8.2580 122.5851 55.1313 18.2033 179.4008 43 Q 3.8873 8.6311 118.5360 59.3971 29.1570 177.9810 44 D 4.3606 8.5310 120.1469 57.5671 40.8034 178.9291 45 A 3.9677 7.8764 120.6434 54.9424 18.2977 179.5220 46 A 3.8752 8.2408 119.6025 55.6104 18.5239 180.0723 47 T 3.7840 8.1109 114.0535 66.6918 68.5548 176.9194 48 A 3.9850 8.0053 122.7736 55.0100 18.3594 179.5079 49 L 4.3054 8.4959 120.3181 57.6563 41.9491 178.9072 50 A 3.9598 8.0268 120.1129 55.0869 18.4507 179.0509 51 L 4.0494 7.8691 118.8652 58.3568 42.2943 179.4353 52 S 4.1446 8.1367 114.1341 61.1861 62.9408 176.1160 53 L 4.1664 8.1746 122.1047 56.7676 41.1836 179.1517 54 T 3.8388 7.1964 115.7460 66.3831 68.3697 173.7346 55 P 4.4888 0.0000 0.0000 63.8463 31.7047 176.4623 56 N 4.9833 8.3561 115.5812 52.6902 39.6170 176.1122 57 I 3.7003 7.8405 119.7919 63.6284 38.1760 176.0880 58 D 4.6501 8.0000 117.6651 54.0219 40.8237 175.9005 59 D 4.7839 7.7686 120.2040 51.3559 41.3538 173.5042 60 P 4.3167 0.0000 0.0000 65.3318 31.8673 179.3994 61 A 3.8209 7.9752 117.2889 52.9658 17.9591 179.0181 *63 V 3.9703 7.9345 120.0907 64.3959 33.4486 177.3046 64 E 3.8923 8.1436 119.9052 59.1017 29.3222 178.4069 65 L 3.9500 7.9926 120.2855 58.3104 42.1011 179.0199 66 L 3.9771 7.8456 118.3482 57.6557 41.5559 179.4832 67 V 3.5661 7.9692 118.2702 66.2479 31.5194 178.3261 68 S 4.2102 8.2252 114.8845 61.5693 62.4033 176.5356 69 S 4.1733 8.1248 115.1893 61.4934 62.2697 176.1555 70 I 3.9290 7.6683 122.1289 64.3089 36.7413 178.0492 71 F 4.1848 8.4411 121.6403 61.6175 39.0160 176.8259 72 D 4.7046 8.8346 117.4527 56.0330 40.7303 177.7208 73 S 4.8156 7.6768 113.0556 57.7610 63.7001 173.1572 74 G 3.8048 7.5609 109.2838 44.5134 0.0000 172.9954 75 Y 3.7720 6.8447 115.7718 55.5051 37.0150 174.2218 76 Y 4.9351 7.2191 118.8651 55.8792 41.6775 176.3080 77 S 4.7184 9.0183 119.8758 61.7163 64.0870 174.2124 78 S 5.3328 7.9825 110.3640 57.5720 65.5991 174.4233 79 I 4.7082 8.5860 121.6888 59.7004 40.8692 174.4082 80 R 5.0045 8.6242 125.8242 54.4578 33.5922 174.0741 81 V 4.3835 8.7727 125.2001 61.0720 34.1509 174.0880 82 V 4.6657 8.2796 127.6284 60.9378 33.6122 174.3417 83 D 4.5131 8.9551 128.5272 54.1408 41.3372 177.0132 84 L 4.1037 8.6757 126.6087 56.9850 42.1921 178.4113 85 K 4.1201 8.4800 119.9615 58.4225 32.1875 177.3411 86 T 4.3887 7.8280 105.8311 60.1927 70.2547 173.2630 87 D 4.4464 8.4232 120.9076 55.5446 40.2983 172.7486 88 Q 4.7752 7.6232 113.6260 53.4334 33.1624 175.2445 89 T 4.1624 8.5103 118.7811 64.6075 68.5799 174.0758 90 I 4.2093 9.1716 128.8243 63.2288 37.6111 176.4300 91 V 4.6000 7.4296 120.0389 60.2368 35.1368 173.0716 92 E 5.0363 8.4889 121.6797 55.0745 32.9181 174.1747 93 R 4.4167 9.0183 125.3326 54.2495 33.3950 174.3021 94 N 5.4451 8.5976 119.8889 51.7100 42.0102 174.3838 95 G 4.7485 8.7771 110.0227 44.6926 0.0000 173.1765 96 I 4.2270 8.3478 113.0093 59.3040 38.6393 173.6881 97 P 4.4230 0.0000 0.0000 62.2539 31.8105 176.6861 98 A 4.1178 8.6646 122.9096 54.5711 18.4421 178.2017 99 V 4.4295 7.5062 112.6059 61.1410 34.4078 174.1175 100 T 4.5586 8.1980 118.0911 60.3752 69.0437 173.6540 101 N 4.7640 8.4465 124.9623 52.1784 37.8361 175.0425 102 V 2.0000 7.0047 119.0389 61.5693 31.6172 174.8613 103 P 3.9884 0.0000 0.0000 61.6957 33.1199 176.9673 104 D 4.2360 8.3577 119.9961 57.0412 41.2274 178.7383 105 W 4.2630 7.8095 116.9891 59.2541 28.1317 178.0764 106 F 4.0241 6.8287 121.2117 60.8775 38.7860 176.9814 107 V 3.5066 7.5006 117.9234 66.2243 30.9995 178.2191 108 K 3.9697 7.9628 116.7676 59.3230 31.9267 178.9913 109 L 4.1256 7.6267 118.4029 57.8834 41.6023 179.4090 110 I 3.7303 7.5219 118.8122 62.5723 37.9023 176.9220 111 G 3.9583 8.2347 106.5236 46.2649 0.0000 173.9228 112 L 4.0520 7.6197 116.7724 54.6458 42.6289 177.8337 113 E 4.3700 8.4063 122.1781 54.5933 30.6582 174.7077 114 P 4.1388 0.0000 0.0000 63.0712 31.9738 176.1128 115 A 4.5858 8.5672 123.9582 50.5759 20.2773 175.9297 116 G 4.4627 8.6532 108.1437 45.2933 0.0000 171.2026 117 G 4.5838 8.9167 106.9187 44.7574 0.0000 171.4474 118 D 5.5443 8.5244 119.3090 51.8202 42.9990 174.1036 119 A 4.7555 8.9148 119.9117 50.7653 23.1771 174.9575 120 L 5.0195 8.4373 119.0258 53.2601 43.9948 176.1875 121 V 4.3241 8.7942 123.3040 61.6162 33.1677 174.8643 122 S 5.1907 8.7237 122.7913 56.8855 66.6511 174.3650 123 R 4.4166 9.2112 122.1153 54.9334 31.1089 176.8287 124 G 3.6850 8.2975 116.2234 46.5760 0.0000 172.9156 125 W 4.5786 8.8564 122.0450 56.6177 28.5866 175.6803 126 E 4.4434 8.4805 121.4358 55.3312 30.1670 174.7310 127 Q 4.6331 8.5707 124.4391 54.8565 30.0600 174.7806 128 A 4.6609 9.0255 125.0078 53.2915 20.8243 176.6365 129 A 4.6891 7.7052 114.4621 50.6433 23.1374 174.9781 130 R 4.9420 8.4864 119.3738 54.5093 32.7862 174.8808 131 V 4.2983 8.9176 126.8716 61.5635 33.3431 174.1615 132 E 5.1632 8.7912 126.8040 54.5359 32.2871 175.4354 133 V 4.5019 8.9342 123.9870 60.9537 35.2030 174.1918 134 V 4.8492 8.3253 126.0591 61.2534 33.8181 174.6953 135 S 4.6628 8.7954 124.6391 57.6365 63.9801 173.7802 136 H 4.2644 8.8129 124.5573 55.4589 30.4910 174.1672 137 P 4.4898 0.0000 0.0000 61.5623 30.3155 175.7597 *139 F 4.1793 8.1793 128.3241 58.7823 41.5060 176.7176 140 A 4.1174 8.2114 121.6470 55.4298 18.0531 179.4802 141 L 4.0109 8.1824 117.2285 57.8741 41.6775 179.6070 142 A 3.9556 7.8485 120.2828 54.9921 18.3086 179.7601 143 K 3.8541 7.9505 116.9869 59.5182 32.0785 179.4867 144 L 4.0964 8.1894 119.4518 57.6214 41.5917 179.4849 145 W 3.7352 8.5526 128.3903 60.5474 30.4202 178.0229 146 Q 3.7241 7.9001 116.6157 59.0488 28.3734 178.8304 147 S 4.1913 8.1297 115.9651 61.4250 62.6227 176.5353 148 A 3.9974 7.8205 122.9302 54.9989 18.1873 179.2431 149 L 3.7189 7.3624 115.8097 55.0209 41.7130 177.5242 150 G 4.2152 7.5280 112.8757 45.9492 0.0000 173.3499 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 25 V 7.90 4.08 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 0.97 0.00 0.00 0.92 0.00 0.00 26 S 8.17 4.00 0.00 4.09 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 27 L 8.51 4.46 0.00 1.70 1.67 0.93 0.97 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 28 E 8.17 3.92 0.00 2.25 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 2.31 2.46 0.00 29 S 7.90 4.08 0.00 3.99 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 0.00 30 S 7.84 3.66 0.00 3.82 3.41 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 31 R 8.05 3.69 0.00 1.78 2.07 0.00 3.07 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 32 T 7.76 3.83 4.21 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 33 Q 7.82 3.93 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.85 0.00 0.00 0.00 0.00 0.00 2.61 2.52 0.00 34 Y 7.75 4.39 0.00 3.00 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 35 V 8.18 3.64 2.30 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 1.14 0.00 0.00 0.98 0.00 0.00 36 N 8.52 4.34 0.00 2.97 2.88 0.00 0.00 6.67 8.56 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 37 Q 8.12 4.00 0.00 2.17 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 38 L 8.27 4.02 0.00 1.91 1.76 0.97 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.33 3.94 0.00 1.97 2.10 0.00 3.11 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 40 S 8.25 4.24 0.00 4.13 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 41 H 8.54 4.12 0.00 3.40 3.57 0.00 5.59 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.26 4.11 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.63 3.89 0.00 2.24 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.70 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 44 D 8.53 4.36 0.00 2.86 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 45 A 7.88 3.97 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.24 3.88 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 47 T 8.11 3.78 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 1.21 0.00 0.00 48 A 8.01 3.99 1.37 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 49 L 8.50 4.31 0.00 1.77 1.82 0.89 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.03 3.96 1.36 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 0.00 0.00 51 L 7.87 4.05 0.00 1.96 1.85 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.14 4.14 0.00 4.09 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 53 L 8.17 4.17 0.00 1.84 1.74 0.90 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 54 T 7.20 3.84 4.36 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 1.21 0.00 0.00 55 P 0.00 4.49 0.00 2.04 2.09 0.00 3.80 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 56 N 8.36 4.98 0.00 2.77 2.76 0.00 0.00 6.55 7.03 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 57 I 7.84 3.70 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 1.41 0.61 0.91 0.00 0.00 58 D 8.00 4.65 0.00 2.70 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 59 D 7.77 4.78 0.00 2.60 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 60 P 0.00 4.32 0.00 2.21 2.08 0.00 3.65 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 2.11 2.08 0.00 61 A 7.98 3.82 1.28 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 0.00 0.00 *63 V 7.93 3.97 2.23 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 1.01 0.00 0.00 0.96 0.00 0.00 64 E 8.14 3.89 0.00 2.08 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 0.00 2.30 2.30 0.00 65 L 7.99 3.95 0.00 1.81 1.78 0.93 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.85 3.98 0.00 1.85 1.70 0.92 0.83 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 67 V 7.97 3.57 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 1.06 0.00 0.00 0.95 0.00 0.00 68 S 8.23 4.21 0.00 4.13 3.96 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 69 S 8.12 4.17 0.00 3.88 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 0.00 70 I 7.67 3.93 1.85 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 1.58 0.94 0.81 0.00 0.00 71 F 8.44 4.18 0.00 3.16 3.25 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 72 D 8.83 4.70 0.00 2.80 2.81 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 73 S 7.68 4.82 0.00 3.92 3.94 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 74 G 7.56 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 0.00 0.00 0.00 75 Y 6.84 3.77 0.00 2.34 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 0.00 0.00 0.00 76 Y 7.22 4.94 0.00 2.78 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 9.02 4.72 0.00 3.93 4.03 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 0.00 0.00 0.00 78 S 7.98 5.33 0.00 3.87 3.88 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 79 I 8.59 4.71 1.87 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.89 0.85 0.00 0.00 80 R 8.62 5.00 0.00 1.74 1.72 0.00 3.16 0.00 0.00 3.30 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.71 0.00 81 V 8.77 4.38 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 0.87 0.00 0.00 0.90 0.00 0.00 82 V 8.28 4.67 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 0.82 0.00 0.00 0.92 0.00 0.00 83 D 8.96 4.51 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 84 L 8.68 4.10 0.00 1.67 1.71 0.92 0.94 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 85 K 8.48 4.12 0.00 1.69 1.91 0.00 1.63 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.42 7.81 86 T 7.83 4.39 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 87 D 8.42 4.45 0.00 2.79 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 Q 7.62 4.78 0.00 1.99 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.56 6.86 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 89 T 8.51 4.16 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 1.21 0.00 0.00 90 I 9.17 4.21 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 1.27 0.56 0.89 0.00 0.00 91 V 7.43 4.60 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 0.79 0.00 0.00 0.88 0.00 0.00 92 E 8.49 5.04 0.00 1.90 1.74 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 2.12 2.29 0.00 93 R 9.02 4.42 0.00 0.71 0.66 0.00 3.08 0.00 0.00 3.04 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.37 0.00 94 N 8.60 5.45 0.00 2.52 2.71 0.00 0.00 6.87 7.65 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 95 G 8.78 4.75 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 0.00 0.00 0.00 96 I 8.35 4.23 1.78 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.48 0.83 0.00 0.00 97 P 0.00 4.42 0.00 2.23 2.04 0.00 3.66 0.00 0.00 3.65 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 98 A 8.66 4.12 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 99 V 7.51 4.43 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 0.80 0.00 0.00 0.92 0.00 0.00 100 T 8.20 4.56 4.14 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 0.00 0.00 1.10 0.00 0.00 101 N 8.45 4.76 0.00 2.79 2.84 0.00 0.00 6.15 7.68 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 0.00 102 V 7.00 2.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.36 0.00 0.00 103 P 0.00 3.99 0.00 0.49 1.46 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 1.53 0.00 104 D 8.36 4.24 0.00 2.67 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 0.00 105 W 7.81 4.26 0.00 3.63 3.33 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 0.00 106 F 6.83 4.02 0.00 1.72 2.42 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 0.00 107 V 7.50 3.51 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 1.01 0.00 0.00 0.89 0.00 0.00 108 K 7.96 3.97 0.00 1.97 1.88 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.59 7.81 109 L 7.63 4.13 0.00 1.66 1.65 1.27 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 110 I 7.52 3.73 1.68 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.38 0.84 0.00 0.00 111 G 8.23 3.96 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 0.00 0.00 0.00 112 L 7.62 4.05 0.00 1.63 1.61 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 113 E 8.41 4.37 0.00 1.95 1.86 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 2.28 2.31 0.00 114 P 0.00 4.14 0.00 2.02 1.97 0.00 3.64 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 115 A 8.57 4.59 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 0.00 116 G 8.65 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 G 8.92 4.58 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 0.00 0.00 0.00 0.00 0.00 0.00 118 D 8.52 5.54 0.00 2.67 2.58 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 0.00 0.00 0.00 119 A 8.91 4.76 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.44 5.02 0.00 1.54 1.60 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 121 V 8.79 4.32 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 1.01 0.00 0.00 0.94 0.00 0.00 122 S 8.72 5.19 0.00 3.78 4.03 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 0.00 0.00 0.00 123 R 9.21 4.42 0.00 1.84 1.89 0.00 3.29 0.00 0.00 3.19 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 124 G 8.30 3.69 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 0.00 0.00 0.00 125 W 8.86 4.58 0.00 3.39 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 E 8.48 4.44 0.00 2.31 1.99 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 2.32 2.35 0.00 127 Q 8.57 4.63 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.63 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 128 A 9.03 4.66 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 0.00 129 A 7.71 4.69 1.20 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 0.00 0.00 0.00 130 R 8.49 4.94 0.00 1.79 1.78 0.00 3.22 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 131 V 8.92 4.30 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 0.90 0.00 0.00 0.93 0.00 0.00 132 E 8.79 5.16 0.00 1.84 1.81 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 2.19 2.26 0.00 133 V 8.93 4.50 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 0.94 0.00 0.00 0.93 0.00 0.00 134 V 8.33 4.85 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 0.93 0.00 0.00 0.93 0.00 0.00 135 S 8.80 4.66 0.00 3.82 3.83 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 0.00 136 H 8.81 4.26 0.00 3.12 3.17 0.00 5.72 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 0.00 137 P 0.00 4.49 0.00 2.25 2.18 0.00 3.34 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.87 0.00 *139 F 8.18 4.18 0.00 2.39 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 0.00 140 A 8.21 4.12 1.41 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 0.00 0.00 141 L 8.18 4.01 0.00 1.70 1.77 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.85 3.96 1.12 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 0.00 0.00 143 K 7.95 3.85 0.00 1.98 1.88 0.00 1.96 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.35 1.15 7.81 144 L 8.19 4.10 0.00 2.08 2.08 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 145 W 8.55 3.74 0.00 3.00 3.08 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 0.00 146 Q 7.90 3.72 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.59 2.49 0.00 147 S 8.13 4.19 0.00 4.08 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 A 7.82 4.00 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 0.00 149 L 7.36 3.72 0.00 1.24 1.42 -0.59 0.10 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 0.00 150 G 7.53 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 * Residues marked with a * may have inaccurate shift predictions.