NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.2742 8.1849 120.6361 53.6151 43.2183 176.3004 8 P 4.0937 0.0000 0.0000 61.0710 31.7751 172.3452 9 P 4.0332 0.0000 0.0000 63.9819 31.7554 176.6964 10 G 3.5181 8.9102 110.9234 45.2684 0.0000 172.3420 11 W 4.2055 7.9279 120.3256 56.4367 28.7263 175.3783 12 E 4.7922 8.0817 122.9687 54.2101 32.3722 175.9478 13 K 4.0377 8.4905 123.2221 56.2948 33.9061 175.1074 14 A 4.4022 7.5610 122.8406 51.6932 23.2768 173.9717 15 M 4.7861 8.3909 116.5891 53.6716 34.4862 176.0980 16 S 4.3408 8.8957 121.5343 58.2971 63.4883 174.3084 17 R 4.5472 8.6841 123.1453 56.4752 29.6530 176.5555 18 S 4.6292 8.2617 114.7573 60.0577 64.6180 175.1313 19 S 4.5373 7.9274 111.3073 57.0900 64.2433 174.9484 20 G 3.9559 8.5131 108.6760 46.1404 0.0000 172.9583 21 R 4.7135 7.5040 119.1524 54.0932 32.2761 176.0842 22 V 4.0093 8.5131 118.1122 62.7346 32.4520 174.7786 23 Y 5.1669 8.1798 119.4915 56.5158 41.9570 172.7542 24 Y 5.2790 9.7716 117.6806 56.1596 41.6059 175.0290 25 F 5.5511 8.8310 117.1101 55.1043 42.0792 173.2310 26 N 4.5651 9.0319 120.4113 51.7580 40.1701 174.8668 27 H 4.6074 8.1269 121.7705 56.7867 29.0374 175.9546 28 I 4.1743 8.2144 121.2576 62.1405 38.1432 176.3044 29 T 4.3896 7.3842 107.1682 60.0967 70.1681 174.1265 30 N 4.2304 8.7698 118.8717 54.1172 37.0124 173.5327 31 A 4.6358 7.5982 120.3880 51.9496 19.8096 177.6612 32 S 5.5673 8.6492 114.8862 56.7740 65.7668 173.2633 33 Q 4.6195 9.5800 121.4611 54.4087 31.9552 176.4389 34 W 4.5734 9.0372 120.4622 60.1063 29.5583 177.4138 35 E 4.2471 8.1435 116.1369 55.6001 29.5866 176.8032 36 R 2.5100 8.1891 122.2397 55.1090 30.5963 174.5470 37 P 3.4740 0.0000 0.0000 63.3358 33.0535 178.9603 38 S 3.4731 6.7216 108.4394 57.0908 67.3326 175.7181 *51 E 4.0771 8.7842 117.7212 54.6625 29.8952 172.7871 52 P 4.2945 0.0000 0.0000 63.4679 31.6495 175.8730 53 A 4.3397 8.6046 122.5305 53.9577 19.3506 177.8263 54 R 5.0510 7.7352 111.9444 54.6096 33.8883 175.8009 55 V 4.3449 8.3313 113.5478 59.5128 36.4481 174.2685 56 R 4.8406 9.1164 124.1294 54.8456 32.5348 174.5100 57 C 5.1421 8.8556 122.1630 58.2473 33.0954 172.9868 58 S 5.4975 8.7976 117.0604 57.5667 66.2494 172.6862 59 H 5.9211 9.5133 116.7081 54.8600 32.1092 172.4199 60 L 4.6719 9.5958 121.2631 53.2233 44.8140 174.6089 61 L 4.9527 8.7322 128.5695 53.2636 44.9244 175.2135 62 V 4.6733 8.6536 125.9767 60.8875 33.5287 175.0670 63 K 4.6161 8.5647 127.3807 56.4584 33.3903 175.6548 64 H 5.0198 9.7136 117.5345 53.9850 31.8659 174.4927 65 S 4.1104 8.5438 113.9596 61.8409 62.4229 175.7011 66 Q 4.2567 7.9212 116.1561 56.1718 28.6305 176.3939 67 S 4.3630 8.3439 115.2212 58.0985 63.1542 173.9333 68 R 3.8624 7.9563 122.2257 59.0593 29.9012 177.7075 69 R 4.4555 7.3937 124.4369 53.5202 31.0206 175.5883 70 P 4.6398 0.0000 0.0000 61.5290 29.9230 176.3117 71 S 4.8310 7.2384 111.0085 57.0869 66.1005 172.6269 72 S 4.6066 8.6874 117.7678 56.9000 65.4890 176.5560 73 W 4.4593 8.8150 119.6770 59.1940 27.8680 177.0033 74 R 3.8774 6.6402 117.0667 57.2744 30.6887 176.6293 75 Q 4.3972 7.9219 117.0621 55.0178 32.4995 174.4572 76 E 3.9607 8.8994 126.5423 58.1714 30.0877 176.5194 77 K 4.6151 7.6230 118.7020 54.3620 34.6106 175.3161 78 I 4.0555 8.7681 128.7091 61.2738 37.6868 176.0432 79 T 4.4855 8.2864 113.3540 61.6990 71.0826 174.7776 80 R 4.0036 8.0090 118.2395 56.7945 29.7955 176.5574 81 T 4.4948 8.8695 111.7776 61.1097 71.3570 175.4422 82 K 3.9836 8.3595 120.2638 59.6553 32.3522 178.1122 83 E 3.9784 8.2026 119.1342 59.5333 29.4547 178.6126 84 E 3.9326 8.2257 118.1242 58.9828 29.5232 178.7421 85 A 3.9151 7.7753 120.4951 55.2367 18.3330 179.1767 86 L 3.7851 7.8893 118.3404 58.4590 42.1321 178.7490 87 E 3.9242 7.9159 118.0236 59.7294 29.3495 179.5445 88 L 3.5820 7.8043 118.4910 57.6952 41.7162 179.8025 89 I 3.5999 7.5661 119.6612 64.4012 37.0555 178.1297 90 N 4.4092 8.8778 118.1592 56.2783 38.4331 177.6594 91 G 3.3940 7.6613 107.0542 48.0112 0.0000 175.4204 92 Y 4.4370 7.2817 118.9354 60.5411 37.8503 178.2614 93 I 3.7954 7.7222 120.5683 64.4229 37.1422 178.4019 94 Q 4.0019 8.1935 118.7625 59.0853 28.6272 179.0424 95 K 3.9931 7.9898 119.0237 59.4520 32.0386 179.5708 96 I 4.2993 8.3399 121.6681 64.1152 36.9557 178.6229 97 K 4.0752 8.5916 118.3763 59.0130 32.0153 178.4974 98 S 4.6181 8.4723 112.9248 57.5833 63.1708 176.0731 99 G 4.0288 8.1438 109.8520 46.0121 0.0000 174.5082 100 E 4.0808 7.7414 120.3232 59.0503 30.0529 176.6343 101 E 4.8007 8.3388 116.2143 53.8834 34.1089 173.6329 102 D 5.2774 8.2989 120.4222 51.3254 43.2906 176.9441 103 F 3.7968 8.8038 122.7178 61.8251 39.3263 177.4524 104 E 4.0927 8.4525 117.2262 59.7032 28.9352 178.8841 105 S 4.0294 7.8456 111.4267 61.6041 62.4422 175.9759 106 L 3.9980 7.8026 120.6185 57.9440 41.2904 179.6473 107 A 3.8496 8.3202 120.7157 55.1998 18.5050 179.5620 108 S 4.4442 8.7920 112.7051 60.2586 62.6162 175.8102 109 Q 4.2095 7.2662 119.0551 57.0235 30.0340 176.3826 110 F 4.6491 8.1352 116.4377 58.3315 40.1803 176.6312 111 S 4.2277 7.8322 115.3707 59.2371 62.2269 174.3164 112 D 4.1872 9.1540 126.8342 55.0690 41.0078 175.9827 113 C 4.6696 7.5309 121.3285 58.1875 32.9334 174.5870 114 S 4.2832 8.6881 119.7567 60.9446 62.7817 176.1921 115 S 4.2343 8.3128 117.1629 60.3456 62.4585 175.8662 116 A 4.0623 7.9191 124.9133 55.4005 17.9407 179.5289 117 K 3.6803 7.5725 115.4271 58.1867 32.3845 177.3444 118 A 4.6772 7.6400 122.3003 52.3488 19.5501 176.3564 119 R 4.1962 8.5259 114.6040 57.4307 28.6504 178.1535 120 G 4.1193 8.7239 104.9258 45.2378 0.0000 173.9315 121 D 5.1488 8.0503 119.1787 54.1782 41.5343 175.9445 122 L 4.5395 9.0504 124.6237 53.7879 42.4835 176.9450 123 G 4.0435 9.0437 108.4503 44.3332 0.0000 173.6064 124 A 4.4534 8.4364 120.8729 52.2765 19.3005 176.6910 125 F 4.7924 7.8093 112.7092 56.8365 41.6445 173.2017 126 S 5.2497 8.7396 113.9868 57.0013 66.3643 173.0641 127 R 4.3926 8.6938 118.7840 56.7332 30.7494 178.4069 128 G 4.2846 8.7085 107.3090 47.5016 0.0000 175.7589 129 Q 4.0727 8.7202 118.4008 58.8534 28.7737 176.4216 130 M 4.4392 7.6446 114.5716 53.1984 34.5169 176.1885 131 Q 4.1586 8.1533 118.5447 55.8553 30.6727 177.6772 132 K 3.9755 8.7144 124.3776 59.5642 32.3397 177.5694 133 P 4.5175 0.0000 0.0000 65.2325 31.2786 178.4439 134 F 4.0755 8.2559 119.5412 60.9160 39.4526 176.6304 135 E 4.2746 8.6045 119.0245 59.6269 29.3387 178.4083 136 D 4.4409 8.6275 117.5273 57.3722 41.2458 178.3997 137 A 4.1593 7.9212 120.9862 55.5637 18.2347 179.9037 138 S 3.9604 8.2211 111.9626 60.8891 62.9378 175.9513 139 F 4.4051 8.0370 117.7219 57.1916 39.6748 175.9180 140 A 4.6141 7.7864 120.1039 52.2172 20.3668 177.3377 141 L 4.3382 7.7017 115.0444 54.5823 42.7062 176.3620 142 R 4.5440 7.9556 119.4121 55.0829 32.2777 176.4238 143 T 4.0046 7.5777 117.3461 66.5937 66.4131 172.3979 144 G 4.1263 8.5817 117.0793 45.6824 0.0000 173.4261 145 E 4.2350 8.8471 120.1727 56.4478 30.4912 176.4279 146 M 4.8407 8.6156 123.6264 54.6411 33.9976 175.4266 147 S 4.5516 9.0626 119.1021 57.3063 65.1460 174.4725 148 G 4.3597 8.5571 108.9256 43.6971 0.0000 171.0825 149 P 4.5985 0.0000 0.0000 62.9474 32.1726 176.1493 150 V 4.6600 8.7313 122.9964 61.1082 34.8217 173.8093 151 F 5.3427 9.2585 126.1243 56.0890 41.1280 174.9310 152 T 4.8598 8.7724 112.6510 59.8080 72.2521 174.1544 153 D 4.5702 8.7120 119.0529 56.1432 40.9054 178.3947 154 S 4.4673 8.1690 115.5531 58.6079 64.9955 175.2216 155 G 3.9367 6.3256 109.4671 46.4039 0.0000 171.7393 156 I 4.7688 7.5844 123.6533 59.6695 40.1422 174.5501 157 H 5.5691 9.5129 123.5737 54.1560 32.3261 173.2224 158 I 4.9392 8.7814 121.7428 59.6612 40.2153 174.5921 159 I 4.9959 8.6893 127.6814 59.5190 39.9009 174.2224 160 L 4.8158 8.5594 129.7778 53.2952 44.4401 174.7972 161 R 4.8187 8.3873 126.1795 55.1539 31.3750 176.2043 162 T 4.2519 9.4407 117.6908 62.6441 70.9385 174.6693 163 E 4.1664 7.6378 125.6302 56.3033 30.7251 174.9038 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 7 L 8.18 4.27 0.00 1.78 1.89 1.11 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 4.09 0.00 2.57 2.13 0.00 3.64 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 2.03 2.15 0.00 9 P 0.00 4.03 0.00 2.05 2.07 0.00 4.13 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.05 0.00 10 G 8.91 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.93 4.21 0.00 3.47 3.13 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 12 E 8.08 4.79 0.00 1.16 1.70 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 0.00 2.17 2.20 0.00 13 K 8.49 4.04 0.00 1.65 1.57 0.00 1.67 0.00 0.00 1.49 0.00 0.00 2.60 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.89 0.29 7.81 14 A 7.56 4.40 1.02 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 0.00 0.00 15 M 8.39 4.79 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.59 0.00 16 S 8.90 4.34 0.00 4.21 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 0.00 17 R 8.68 4.55 0.00 1.97 2.02 0.00 3.01 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 18 S 8.26 4.63 0.00 3.94 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 19 S 7.93 4.54 0.00 3.93 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 20 G 8.51 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 21 R 7.50 4.71 0.00 1.95 1.86 0.00 3.06 0.00 0.00 3.02 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 22 V 8.51 4.01 2.13 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 0.69 0.00 0.00 1.03 0.00 0.00 23 Y 8.18 5.17 0.00 2.91 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 9.77 5.28 0.00 3.13 3.31 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 25 F 8.83 5.55 0.00 3.21 3.29 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 26 N 9.03 4.57 0.00 1.44 1.85 0.00 0.00 7.16 7.77 0.00 0.00 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 H 8.13 4.61 0.00 3.27 3.49 0.00 5.79 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 28 I 8.21 4.17 1.79 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.27 0.90 0.00 0.00 29 T 7.38 4.39 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 1.10 0.00 0.00 30 N 8.77 4.23 0.00 3.04 2.99 0.00 0.00 6.80 8.00 0.00 0.00 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 A 7.60 4.64 1.26 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 0.00 0.00 32 S 8.65 5.57 0.00 3.91 4.01 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 33 Q 9.58 4.62 0.00 2.30 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.87 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 34 W 9.04 4.57 0.00 3.43 3.39 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 35 E 8.14 4.25 0.00 1.85 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 2.35 2.45 0.00 36 R 8.19 2.51 0.00 1.65 1.65 0.00 3.27 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.34 0.00 37 P 0.00 3.47 0.00 1.36 0.49 0.00 2.44 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.02 0.00 38 S 6.72 3.47 0.00 3.95 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 *51 E 8.78 4.08 0.00 2.00 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 2.30 2.41 0.00 52 P 0.00 4.29 0.00 2.39 2.08 0.00 3.87 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 2.12 2.01 0.00 53 A 8.60 4.34 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 54 R 7.74 5.05 0.00 1.59 1.87 0.00 3.17 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 55 V 8.33 4.34 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 0.17 0.00 0.00 -0.52 0.00 0.00 56 R 9.12 4.84 0.00 1.70 1.76 0.00 3.19 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 1.52 1.56 0.00 57 C 8.86 5.14 0.00 3.29 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 58 S 8.80 5.50 0.00 3.49 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.51 5.92 0.00 3.60 3.58 0.00 5.52 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 9.60 4.67 0.00 1.11 1.36 0.43 0.62 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 61 L 8.73 4.95 0.00 1.61 1.39 0.66 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 62 V 8.65 4.67 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 0.88 0.00 0.00 1.02 0.00 0.00 63 K 8.56 4.62 0.00 1.61 1.66 0.00 1.76 0.00 0.00 1.78 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.31 7.81 64 H 9.71 5.02 0.00 3.29 3.44 0.00 5.47 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.54 4.11 0.00 4.03 4.05 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 66 Q 7.92 4.26 0.00 1.92 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 7.07 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 67 S 8.34 4.36 0.00 3.93 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 68 R 7.96 3.86 0.00 2.00 1.93 0.00 3.21 0.00 0.00 3.22 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 69 R 7.39 4.46 0.00 1.80 1.85 0.00 3.27 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 70 P 0.00 4.64 0.00 2.17 2.03 0.00 3.58 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.35 0.00 71 S 7.24 4.83 0.00 3.76 3.66 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 72 S 8.69 4.61 0.00 3.99 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.81 4.46 0.00 3.51 3.29 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 74 R 6.64 3.88 0.00 1.26 1.55 0.00 2.58 0.00 0.00 2.83 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 75 Q 7.92 4.40 0.00 1.90 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.82 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 76 E 8.90 3.96 0.00 1.96 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 2.28 2.29 0.00 77 K 7.62 4.62 0.00 1.67 1.61 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.43 7.81 78 I 8.77 4.06 1.93 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 1.28 0.58 0.89 0.00 0.00 79 T 8.29 4.49 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 1.24 0.00 0.00 80 R 8.01 4.00 0.00 2.09 2.11 0.00 3.05 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 81 T 8.87 4.49 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 1.22 0.00 0.00 82 K 8.36 3.98 0.00 1.73 1.83 0.00 1.79 0.00 0.00 1.98 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.67 1.62 7.81 83 E 8.20 3.98 0.00 2.08 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 2.38 2.42 0.00 84 E 8.23 3.93 0.00 2.21 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 2.29 2.30 0.00 85 A 7.78 3.92 1.45 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 0.00 0.00 86 L 7.89 3.79 0.00 1.85 1.91 1.00 0.90 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 87 E 7.92 3.92 0.00 2.16 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 0.00 2.27 2.33 0.00 88 L 7.80 3.58 0.00 1.67 1.33 0.82 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 89 I 7.57 3.60 1.96 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.16 0.86 0.00 0.00 90 N 8.88 4.41 0.00 2.78 2.82 0.00 0.00 6.94 6.87 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 91 G 7.66 3.39 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 0.00 92 Y 7.28 4.44 0.00 2.95 2.83 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 93 I 7.72 3.80 2.09 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 1.60 0.90 0.96 0.00 0.00 94 Q 8.19 4.00 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 95 K 7.99 3.99 0.00 2.06 1.93 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.63 7.81 96 I 8.34 4.30 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 1.62 2.13 1.05 0.00 0.00 97 K 8.59 4.08 0.00 1.89 1.95 0.00 1.74 0.00 0.00 1.82 0.00 0.00 3.14 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.55 1.53 7.81 98 S 8.47 4.62 0.00 4.07 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 0.00 99 G 8.14 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 0.00 0.00 0.00 100 E 7.74 4.08 0.00 1.93 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 0.00 2.37 2.34 0.00 101 E 8.34 4.80 0.00 2.06 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 2.29 2.47 0.00 102 D 8.30 5.28 0.00 2.97 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.80 3.80 0.00 3.25 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 0.00 104 E 8.45 4.09 0.00 2.17 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 0.00 2.47 2.57 0.00 105 S 7.85 4.03 0.00 4.03 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 0.00 106 L 7.80 4.00 0.00 1.43 1.25 0.94 1.25 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 0.00 107 A 8.32 3.85 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 0.00 108 S 8.79 4.44 0.00 3.91 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 0.00 109 Q 7.27 4.21 0.00 1.34 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.80 0.00 0.00 0.00 0.00 0.00 2.04 2.23 0.00 110 F 8.14 4.65 0.00 2.77 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 0.00 111 S 7.83 4.23 0.00 3.92 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 0.00 112 D 9.15 4.19 0.00 2.68 2.57 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 0.00 0.00 0.00 0.00 113 C 7.53 4.67 0.00 3.11 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 0.00 114 S 8.69 4.28 0.00 4.06 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 0.00 115 S 8.31 4.23 0.00 4.33 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 0.00 116 A 7.92 4.06 1.62 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 0.00 0.00 117 K 7.57 3.68 0.00 1.69 1.75 0.00 0.83 0.00 0.00 0.87 0.00 0.00 2.13 0.00 0.00 2.39 0.00 0.00 0.00 0.00 1.20 1.23 7.81 118 A 7.64 4.68 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 0.00 119 R 8.53 4.20 0.00 1.97 2.06 0.00 3.19 0.00 0.00 3.08 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 120 G 8.72 4.12 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 0.00 121 D 8.05 5.15 0.00 2.64 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 0.00 122 L 9.05 4.54 0.00 1.79 1.58 0.67 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 123 G 9.04 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 0.00 0.00 0.00 124 A 8.44 4.45 1.23 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 0.00 0.00 125 F 7.81 4.79 0.00 3.20 3.14 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 0.00 126 S 8.74 5.25 0.00 4.08 4.05 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 0.00 127 R 8.69 4.39 0.00 1.80 1.93 0.00 2.94 0.00 0.00 3.35 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.91 0.00 128 G 8.71 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 0.00 0.00 0.00 0.00 129 Q 8.72 4.07 0.00 2.32 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.67 0.00 0.00 0.00 0.00 0.00 2.49 2.73 0.00 130 M 7.64 4.44 0.00 1.82 2.08 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.99 0.00 131 Q 8.15 4.16 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.88 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 132 K 8.71 3.98 0.00 1.91 1.86 0.00 1.66 0.00 0.00 1.85 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.65 7.81 133 P 0.00 4.52 0.00 2.41 2.18 0.00 3.75 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 2.21 2.21 0.00 134 F 8.26 4.08 0.00 3.06 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 0.00 135 E 8.60 4.27 0.00 2.44 2.29 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 2.61 2.88 0.00 136 D 8.63 4.44 0.00 2.75 2.76 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 0.00 137 A 7.92 4.16 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 0.00 138 S 8.22 3.96 0.00 4.02 3.86 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 0.00 139 F 8.04 4.41 0.00 3.14 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 0.00 140 A 7.79 4.61 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 0.00 141 L 7.70 4.34 0.00 1.58 1.59 0.88 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 142 R 7.96 4.54 0.00 2.08 1.80 0.00 3.23 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 143 T 7.58 4.00 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 1.22 0.00 0.00 144 G 8.58 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 0.00 0.00 0.00 145 E 8.85 4.23 0.00 1.92 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 2.37 2.62 0.00 146 M 8.62 4.84 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.69 0.00 147 S 9.06 4.55 0.00 4.01 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 0.00 148 G 8.56 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 0.00 0.00 0.00 0.00 149 P 0.00 4.60 0.00 2.09 2.04 0.00 3.77 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.04 0.00 150 V 8.73 4.66 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 0.87 0.00 0.00 0.96 0.00 0.00 151 F 9.26 5.34 0.00 2.94 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 0.00 152 T 8.77 4.86 4.34 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 1.35 0.00 0.00 153 D 8.71 4.57 0.00 2.76 2.78 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 0.00 0.00 0.00 154 S 8.17 4.47 0.00 3.88 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 0.00 155 G 6.33 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 0.00 0.00 0.00 156 I 7.58 4.77 1.65 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 0.46 0.57 0.48 0.00 0.00 157 H 9.51 5.57 0.00 3.13 3.47 0.00 5.56 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 I 8.78 4.94 1.99 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.78 1.19 0.00 0.00 159 I 8.69 5.00 1.74 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.81 0.59 0.00 0.00 160 L 8.56 4.82 0.00 0.61 0.81 0.80 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 161 R 8.39 4.82 0.00 1.81 1.66 0.00 3.10 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.50 0.00 162 T 9.44 4.25 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 1.12 0.00 0.00 163 E 7.64 4.17 0.00 1.91 1.73 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 2.25 2.24 0.00 * Residues marked with a * may have inaccurate shift predictions.