NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *4 H 4.6040 8.4449 117.3690 54.4287 29.9257 173.0952 5 H 4.4646 8.2459 119.5280 54.3338 28.5140 173.6397 6 H 4.0234 8.8524 125.2977 56.4382 31.3496 174.3834 7 N 4.6461 8.3803 124.7483 51.5300 39.8682 174.2465 8 A 4.0488 8.7267 129.2863 55.4048 18.5168 178.7527 9 M 3.8093 8.3180 119.2502 59.0874 31.6686 179.5157 10 Q 4.0300 7.9364 119.8871 59.7330 28.3197 180.9239 11 G 3.9472 7.4611 104.7650 44.7554 0.0000 174.0941 12 I 3.7481 6.5809 121.2088 61.4710 38.8424 175.3415 13 H 4.6770 9.0017 126.9094 55.2354 29.6564 174.2963 14 F 5.4697 9.0559 126.9154 56.7605 40.7249 174.5970 15 R 4.2466 7.4017 124.8219 53.7912 32.1399 177.8678 16 R 2.5100 7.3830 119.5424 59.1588 29.9638 177.6218 17 H 4.5696 7.6098 109.7015 56.4451 28.8219 174.5604 18 Y 4.8430 7.5464 118.2078 58.2014 37.9830 174.5934 19 V 5.1172 7.3843 119.8782 61.2043 34.2303 174.8833 20 R 4.8059 8.7306 122.5875 55.3866 32.9773 174.0673 21 H 5.0653 8.2590 118.0617 55.4750 30.1994 174.7248 22 L 5.0436 8.6097 120.1090 52.1637 45.1249 174.9540 23 P 4.7424 0.0000 0.0000 61.8476 32.2817 177.4503 24 K 3.9700 8.6679 120.5524 60.5221 32.3769 178.4226 25 E 4.2533 8.0287 113.0702 56.6491 30.0912 181.2062 26 V 4.0155 7.2192 111.3103 62.2101 32.2347 176.8135 27 S 4.5865 9.2300 119.6152 56.9841 65.8154 175.0869 28 Q 3.7410 8.4093 122.1050 59.7742 28.4807 178.4662 29 N 4.4822 7.9866 116.5730 56.1101 38.6746 177.0976 30 D 4.3757 8.0435 120.5598 57.2524 40.8672 178.6691 31 I 3.7252 8.0044 120.4550 64.6779 37.2142 178.4627 32 I 3.7977 7.7648 120.3645 64.3254 37.0268 178.7923 33 K 3.9459 8.2710 118.9633 59.5061 31.7618 179.0633 34 A 4.0441 8.3274 119.8804 55.4960 18.3101 179.3399 35 L 4.1731 8.0652 115.8202 57.3265 42.0743 179.0607 36 A 4.2226 8.0571 120.9933 54.5850 18.2242 179.2814 37 S 4.0512 7.9564 112.0374 61.3318 62.4465 174.7860 38 P 4.1967 0.0000 0.0000 65.8973 31.0603 178.2174 39 L 3.7665 7.6376 118.2079 57.4127 41.5140 179.3633 40 I 3.6507 8.0696 120.0469 64.6077 36.8914 178.1991 41 N 4.3449 8.7413 116.5210 56.1662 38.4492 176.2368 42 D 4.7506 8.1457 117.4526 53.6461 41.2495 177.1168 43 G 3.9361 7.8941 107.5176 46.5056 0.0000 174.9594 44 M 4.2626 8.0105 121.5380 57.2605 32.9312 176.4281 45 V 4.7707 7.2909 109.5446 59.0344 36.4060 175.6406 46 V 4.0063 8.6355 115.3822 61.3496 32.1251 178.1763 47 S 4.1901 8.8384 117.0786 61.2479 62.7179 174.5127 48 D 4.8307 7.9076 119.8841 54.2296 41.4032 178.2830 49 F 4.0944 8.3315 123.7428 61.3371 39.2428 176.2770 50 A 3.8963 8.0922 119.8386 55.3023 18.1610 178.8820 51 D 4.2183 7.9898 116.7689 58.1140 40.7932 178.9430 52 H 4.0590 7.3458 115.4886 58.6317 28.5372 178.0820 53 V 3.4185 7.3633 120.0691 65.9017 31.1344 178.0921 54 I 3.6686 7.7914 119.6007 64.7263 35.4114 178.4813 55 T 3.8828 8.0189 116.5786 66.5578 68.2504 176.5423 56 R 4.0670 8.2264 120.7069 59.6628 29.9472 177.9248 57 E 4.0289 8.1640 117.6153 59.7135 29.5191 178.6078 58 Q 4.1136 7.7656 117.1390 58.3800 28.8697 176.9485 59 N 4.6239 7.5679 113.2877 53.3710 40.5758 175.1826 60 F 4.8455 8.5332 116.2925 54.3753 39.2837 172.6840 61 P 4.8713 0.0000 0.0000 63.3849 32.2364 177.1809 62 T 4.7006 9.2584 108.6191 61.4765 70.4244 173.2929 63 G 4.1231 8.2934 110.3253 46.7316 0.0000 173.3186 64 L 5.1613 8.9666 125.4753 51.3009 44.2159 176.2152 65 P 4.7193 0.0000 0.0000 62.2386 30.3128 176.8910 66 V 4.0333 7.2907 112.6735 61.5182 33.1280 175.8915 67 E 4.9392 8.3618 121.8073 54.1164 32.6958 174.2898 68 P 4.4366 0.0000 0.0000 63.0572 32.0261 175.8780 69 V 4.1618 7.4742 119.6291 60.9591 31.9842 175.2188 70 G 4.0344 8.3459 114.9517 44.8655 0.0000 171.4353 71 V 5.5625 8.5233 119.1084 59.7841 35.8826 173.9855 72 A 5.1137 8.2956 124.7852 49.5537 22.5113 175.3522 73 I 5.7223 8.5117 112.6874 57.5911 36.5313 173.6137 74 P 4.6589 0.0000 0.0000 64.0397 32.7160 176.9708 75 H 5.0289 8.4999 117.7064 55.1880 31.2064 171.7952 76 T 4.6659 7.9621 112.7035 60.5840 70.3842 172.3547 77 D 4.9354 8.9486 119.7790 54.3630 41.8948 177.8041 78 S 4.5180 8.6809 118.5978 60.5095 62.9525 176.5406 79 K 3.8236 8.1630 119.2084 59.0247 32.4119 177.0051 80 Y 4.7157 7.7948 116.7866 57.9444 38.3015 174.7491 81 V 4.6235 7.8029 120.6503 61.1392 33.6547 175.0285 82 R 4.4916 8.9660 125.5587 57.4064 31.6836 176.9961 83 Q 4.6065 7.6864 115.4560 53.6926 32.8451 175.1971 84 N 4.7805 8.8538 120.6336 53.8470 39.8594 173.8338 85 A 5.2881 8.9245 123.4919 51.4571 23.5486 174.8304 86 I 5.0639 8.4882 118.9107 59.6217 40.9167 175.1842 87 S 4.9729 9.1489 120.7684 56.5609 65.2695 172.5139 88 V 4.7504 9.1379 127.5798 61.0708 33.9277 174.4230 89 G 4.4283 8.9878 114.6939 44.4088 0.0000 171.4847 90 I 4.8661 8.4977 125.0280 59.3867 39.3550 174.9190 91 L 4.7759 8.8058 127.6799 53.6642 42.6247 177.0870 92 A 4.3233 8.2990 124.6246 54.5200 18.5998 177.7569 93 E 4.7606 7.9300 110.3438 53.2157 32.8808 173.4856 94 P 5.3061 0.0000 0.0000 62.7443 32.4140 175.5996 95 V 4.5150 8.2391 120.6614 60.9374 34.7207 174.2055 96 N 5.1692 9.0294 125.6056 53.6291 39.1554 174.3085 97 F 5.1407 9.1445 122.1883 54.4022 42.5031 175.0107 98 E 4.4042 8.7831 121.5732 56.2852 31.0110 175.8588 99 D 4.6972 8.7228 122.3519 53.8478 41.8621 177.0331 100 A 4.2970 8.5884 130.5005 54.7416 18.5003 178.6326 101 G 3.6578 9.1510 104.0045 46.7813 0.0000 174.6455 102 G 3.9298 8.3509 108.3215 45.3914 0.0000 173.8038 103 E 4.2463 7.8244 118.3264 55.0687 30.2163 175.3404 104 P 4.3704 0.0000 0.0000 65.7863 31.6535 177.2065 105 D 4.4534 7.9493 118.9762 53.1489 41.1739 174.3237 106 P 4.5444 0.0000 0.0000 62.7997 32.6506 175.7142 107 V 4.0979 8.8941 122.2356 61.6517 32.5512 173.4868 108 P 4.9502 0.0000 0.0000 62.0133 31.5113 174.7943 109 V 4.0251 8.7311 127.5755 63.2705 32.4968 176.2570 110 R 4.5710 9.2485 124.4492 55.6487 33.7011 175.3956 111 V 4.7273 7.7186 118.6717 60.7584 34.7616 174.2066 112 V 4.6409 8.6995 127.6893 61.2034 34.3565 174.2788 113 F 4.9656 8.9636 126.9158 55.6174 40.2133 173.1870 114 M 4.7404 9.2580 124.2203 55.3483 33.3614 174.4277 115 L 5.0964 8.7530 126.0704 52.9726 44.1918 176.0197 116 A 4.6561 9.0387 125.1271 50.1962 21.5793 174.5062 117 L 4.9440 8.1764 121.1281 53.7734 44.5057 178.2539 118 G 3.6780 9.7956 113.1442 46.6664 0.0000 173.0684 119 N 4.7491 7.5634 118.6692 50.6268 41.7108 174.9104 120 W 4.3766 8.7588 125.8233 59.5372 28.9405 178.0975 121 F 4.7824 8.6081 117.1667 59.8508 38.7409 176.2658 122 D 4.6736 8.3108 117.8084 55.3009 40.9466 178.0385 123 I 3.8803 7.9559 120.1912 63.9293 37.9800 177.9294 124 T 3.9177 7.9472 116.5501 66.5430 68.5066 175.7579 125 N 4.4014 8.2371 118.4737 56.9019 38.9005 176.8707 126 V 3.6560 7.7822 119.1022 66.0882 31.6313 178.0351 127 L 4.0737 8.6479 119.1854 57.4624 41.3074 179.1663 128 W 4.4582 8.5531 128.5031 60.2029 30.5629 177.9353 129 W 3.8305 8.2467 127.7244 60.4543 30.1645 177.8758 130 I 3.1562 8.1944 120.1384 64.7635 36.0418 178.3096 131 M 3.8602 8.2254 119.6090 58.2427 31.4658 178.3329 132 D 3.8963 6.9540 117.5267 56.9920 41.5242 178.3152 133 V 3.0682 6.7818 118.8631 65.6016 31.3150 177.8530 134 I 3.8553 7.4317 109.8478 62.5781 37.7737 176.3101 135 Q 4.2352 7.2944 118.0501 55.9694 29.0321 176.1203 136 D 4.6215 7.8793 122.2515 53.1983 40.6711 176.7447 137 E 4.0000 8.4408 126.1828 61.0118 29.9387 176.6985 138 D 4.5026 8.0261 118.7231 57.0151 40.9355 177.7018 139 F 3.9907 8.4022 120.9916 61.8300 39.0976 177.1027 140 M 4.2296 8.1933 117.0840 58.3039 32.0561 178.4757 141 Q 4.1364 8.0358 118.4465 58.9180 28.7586 178.6160 142 Q 3.9925 7.9898 119.1407 58.7710 28.4561 178.6702 143 L 3.9143 7.2607 118.4226 57.1536 41.6870 178.6368 144 L 4.3072 7.4475 116.5087 55.7133 41.8900 177.5743 145 V 4.3527 7.3493 109.9586 61.5134 34.1466 176.1005 146 M 4.3690 8.0637 119.3289 54.8811 32.4089 176.3900 147 N 4.7708 9.1368 120.4028 52.0790 40.3067 175.9972 148 D 4.4259 8.5052 119.1803 57.6153 40.7860 178.6806 149 D 4.4127 8.1357 118.8456 57.5133 40.9198 178.4714 150 E 4.0179 9.0952 119.3647 59.4652 29.3813 179.5612 151 I 3.7410 8.1473 120.0214 64.5717 37.1495 177.6493 152 Y 4.5687 8.3630 120.5219 61.0149 38.5184 178.1263 153 Q 3.8255 8.4047 120.2989 59.1894 29.1976 178.1776 154 S 4.2080 8.5891 114.5233 61.6150 62.4120 176.2419 155 I 4.1156 8.4653 122.9773 64.4924 36.6590 177.5199 156 Y 4.0692 8.2998 119.6663 61.3132 38.5968 178.3268 157 T 4.0806 8.3499 116.4261 66.7209 68.3607 176.7729 158 R 4.0662 8.0330 119.5628 59.3335 30.1146 178.2899 159 I 3.6468 8.1332 122.0298 64.7688 37.1298 177.3681 160 S 4.3766 7.3789 121.3475 60.4232 62.3662 175.6264 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 *4 H 8.44 4.60 0.00 2.95 3.01 0.00 7.16 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 H 8.25 4.46 0.00 3.23 3.30 0.00 5.68 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 H 8.85 4.02 0.00 3.13 3.23 0.00 5.76 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.38 4.65 0.00 2.81 2.63 0.00 0.00 7.10 8.74 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 8 A 8.73 4.05 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 9 M 8.32 3.81 0.00 1.54 2.02 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.72 0.00 10 Q 7.94 4.03 0.00 2.19 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.87 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 11 G 7.46 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 12 I 6.58 3.75 1.90 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.75 0.82 0.00 0.00 13 H 9.00 4.68 0.00 3.42 3.36 0.00 5.61 0.00 0.00 0.00 0.00 6.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 F 9.06 5.47 0.00 3.01 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 15 R 7.40 4.25 0.00 0.67 1.15 0.00 2.80 0.00 0.00 3.05 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.22 0.00 16 R 7.38 2.51 0.00 0.76 1.37 0.00 2.83 0.00 0.00 3.05 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.38 0.00 17 H 7.61 4.57 0.00 3.29 3.26 0.00 5.57 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 7.55 4.84 0.00 2.94 3.06 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 0.00 0.00 0.00 0.00 19 V 7.38 5.12 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 0.91 0.00 0.00 1.26 0.00 0.00 20 R 8.73 4.81 0.00 1.94 1.99 0.00 2.85 0.00 0.00 3.20 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 21 H 8.26 5.07 0.00 3.14 3.30 0.00 5.79 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.61 5.04 0.00 1.58 1.54 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 4.74 0.00 2.23 2.19 0.00 3.73 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 24 K 8.67 3.97 0.00 2.04 2.01 0.00 1.58 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.45 7.81 25 E 8.03 4.25 0.00 2.01 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 2.23 1.90 0.00 26 V 7.22 4.02 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.03 0.00 0.00 27 S 9.23 4.59 0.00 3.95 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 28 Q 8.41 3.74 0.00 1.72 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.95 0.00 0.00 0.00 0.00 0.00 2.09 1.26 0.00 29 N 7.99 4.48 0.00 2.74 2.82 0.00 0.00 7.12 8.08 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 30 D 8.04 4.38 0.00 2.90 2.73 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 0.00 0.00 0.00 31 I 8.00 3.73 2.21 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.78 1.06 0.00 0.00 32 I 7.76 3.80 2.02 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 1.63 0.88 0.92 0.00 0.00 33 K 8.27 3.95 0.00 1.97 1.87 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.63 7.81 34 A 8.33 4.04 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 35 L 8.07 4.17 0.00 1.71 1.79 1.02 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.06 4.22 1.60 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 37 S 7.96 4.05 0.00 4.10 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.20 0.00 2.55 2.45 0.00 3.79 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 39 L 7.64 3.77 0.00 1.60 1.41 0.66 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 40 I 8.07 3.65 2.02 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.73 0.93 0.00 0.00 41 N 8.74 4.34 0.00 2.84 2.92 0.00 0.00 7.12 6.66 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 42 D 8.15 4.75 0.00 2.88 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 43 G 7.89 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 44 M 8.01 4.26 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.78 0.00 45 V 7.29 4.77 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.58 0.00 0.00 46 V 8.64 4.01 2.21 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 1.05 0.00 0.00 1.18 0.00 0.00 47 S 8.84 4.19 0.00 4.00 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 48 D 7.91 4.83 0.00 2.76 2.52 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 49 F 8.33 4.09 0.00 3.30 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 50 A 8.09 3.90 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 51 D 7.99 4.22 0.00 2.58 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 52 H 7.35 4.06 0.00 2.78 2.90 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 7.36 3.42 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 1.02 0.00 0.00 0.23 0.00 0.00 54 I 7.79 3.67 1.97 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.59 0.93 0.00 0.00 55 T 8.02 3.88 4.39 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 1.26 0.00 0.00 56 R 8.23 4.07 0.00 1.91 2.16 0.00 3.49 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.91 0.00 57 E 8.16 4.03 0.00 2.19 2.16 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 2.35 2.43 0.00 58 Q 7.77 4.11 0.00 2.44 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.57 0.00 0.00 0.00 0.00 0.00 2.39 2.27 0.00 59 N 7.57 4.62 0.00 2.46 2.35 0.00 0.00 6.84 7.33 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 60 F 8.53 4.85 0.00 3.10 2.97 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 61 P 0.00 4.87 0.00 2.47 2.25 0.00 3.64 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.98 0.00 62 T 9.26 4.70 4.40 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 1.40 0.00 0.00 63 G 8.29 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 64 L 8.97 5.16 0.00 1.55 1.58 0.95 0.79 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 65 P 0.00 4.72 0.00 2.19 2.13 0.00 3.78 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 2.00 2.20 0.00 66 V 7.29 4.03 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 1.03 0.00 0.00 67 E 8.36 4.94 0.00 1.90 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 2.20 2.26 0.00 68 P 0.00 4.44 0.00 2.18 2.16 0.00 3.74 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 69 V 7.47 4.16 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 0.84 0.00 0.00 0.94 0.00 0.00 70 G 8.35 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 71 V 8.52 5.56 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 1.58 0.00 0.00 1.10 0.00 0.00 72 A 8.30 5.11 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 73 I 8.51 5.72 1.99 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.01 1.00 0.00 0.00 74 P 0.00 4.66 0.00 2.26 2.43 0.00 4.03 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.09 0.00 75 H 8.50 5.03 0.00 3.37 3.42 0.00 5.47 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 T 7.96 4.67 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 0.99 0.00 0.00 77 D 8.95 4.94 0.00 2.99 2.40 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 78 S 8.68 4.52 0.00 3.89 3.46 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 79 K 8.16 3.82 0.00 1.66 1.85 0.00 1.29 0.00 0.00 1.50 0.00 0.00 2.80 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.93 0.28 7.81 80 Y 7.79 4.72 0.00 3.41 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 81 V 7.80 4.62 2.12 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 0.74 0.00 0.00 1.02 0.00 0.00 82 R 8.97 4.49 0.00 1.88 1.93 0.00 3.17 0.00 0.00 3.41 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 83 Q 7.69 4.61 0.00 1.85 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.91 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 84 N 8.85 4.78 0.00 2.64 2.72 0.00 0.00 6.80 7.69 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 85 A 8.92 5.29 1.19 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 0.00 0.00 86 I 8.49 5.06 1.98 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 1.27 0.71 1.12 0.00 0.00 87 S 9.15 4.97 0.00 3.69 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 88 V 9.14 4.75 2.28 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 0.68 0.00 0.00 1.18 0.00 0.00 89 G 8.99 4.43 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 0.00 0.00 0.00 90 I 8.50 4.87 1.47 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 1.07 0.76 0.87 0.00 0.00 91 L 8.81 4.78 0.00 1.50 1.71 1.06 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 92 A 8.30 4.32 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 93 E 7.93 4.76 0.00 2.05 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 2.18 2.28 0.00 94 P 0.00 5.31 0.00 2.14 2.13 0.00 3.33 0.00 0.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.83 0.00 95 V 8.24 4.51 2.28 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 1.04 0.00 0.00 1.04 0.00 0.00 96 N 9.03 5.17 0.00 2.66 2.78 0.00 0.00 6.90 7.45 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 97 F 9.14 5.14 0.00 2.92 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 98 E 8.78 4.40 0.00 1.97 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 2.41 2.31 0.00 99 D 8.72 4.70 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 0.00 100 A 8.59 4.30 1.46 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 0.00 101 G 9.15 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 0.00 0.00 0.00 102 G 8.35 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 0.00 103 E 7.82 4.25 0.00 2.06 1.91 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 2.33 2.34 0.00 104 P 0.00 4.37 0.00 2.18 2.19 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 105 D 7.95 4.45 0.00 2.69 2.68 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 0.00 106 P 0.00 4.54 0.00 2.12 2.08 0.00 3.77 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 2.01 1.98 0.00 107 V 8.89 4.10 2.25 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 1.08 0.00 0.00 1.01 0.00 0.00 108 P 0.00 4.95 0.00 2.19 2.24 0.00 3.78 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 2.08 1.98 0.00 109 V 8.73 4.03 2.33 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 0.83 0.00 0.00 0.87 0.00 0.00 110 R 9.25 4.57 0.00 1.75 1.89 0.00 3.13 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 111 V 7.72 4.73 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 0.58 0.00 0.00 0.89 0.00 0.00 112 V 8.70 4.64 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 1.00 0.00 0.00 0.80 0.00 0.00 113 F 8.96 4.97 0.00 3.02 3.01 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 0.00 114 M 9.26 4.74 0.00 2.30 2.05 0.00 0.00 0.00 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.72 0.00 115 L 8.75 5.10 0.00 1.59 1.54 0.90 0.72 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 0.00 116 A 9.04 4.66 1.01 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 0.00 0.00 117 L 8.18 4.94 0.00 1.25 1.36 0.85 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 118 G 9.80 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 0.00 119 N 7.56 4.75 0.00 2.60 2.76 0.00 0.00 7.21 7.95 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 0.00 120 W 8.76 4.38 0.00 3.33 3.20 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 0.00 121 F 8.61 4.78 0.00 3.06 2.97 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 0.00 122 D 8.31 4.67 0.00 2.91 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.96 3.88 2.15 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.95 1.23 0.00 0.00 124 T 7.95 3.92 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 1.17 0.00 0.00 125 N 8.24 4.40 0.00 2.81 3.02 0.00 0.00 6.77 7.71 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 0.00 126 V 7.78 3.66 2.12 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 1.07 0.00 0.00 0.97 0.00 0.00 127 L 8.65 4.07 0.00 2.00 1.81 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 128 W 8.55 4.46 0.00 3.51 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 0.00 129 W 8.25 3.83 0.00 3.41 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 0.00 130 I 8.19 3.16 1.96 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.77 0.70 0.00 0.00 131 M 8.23 3.86 0.00 1.85 1.89 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.99 0.00 132 D 6.95 3.90 0.00 2.06 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 0.00 0.00 0.00 0.00 133 V 6.78 3.07 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 0.70 0.00 0.00 -0.79 0.00 0.00 134 I 7.43 3.86 1.86 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 1.32 0.61 0.79 0.00 0.00 135 Q 7.29 4.24 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.08 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 136 D 7.88 4.62 0.00 2.64 2.62 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 0.00 137 E 8.44 4.00 0.00 2.01 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 2.32 1.95 0.00 138 D 8.03 4.50 0.00 2.84 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 8.40 3.99 0.00 3.37 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 0.00 140 M 8.19 4.23 0.00 2.10 2.28 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 3.12 0.00 141 Q 8.04 4.14 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.56 2.54 0.00 142 Q 7.99 3.99 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.51 2.46 0.00 143 L 7.26 3.91 0.00 1.70 1.67 1.05 0.79 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 0.00 144 L 7.45 4.31 0.00 1.78 1.71 0.92 1.06 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 0.00 145 V 7.35 4.35 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 0.74 0.00 0.00 0.91 0.00 0.00 146 M 8.06 4.37 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.45 0.00 147 N 9.14 4.77 0.00 2.96 2.97 0.00 0.00 7.22 7.66 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 0.00 148 D 8.51 4.43 0.00 2.74 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 0.00 149 D 8.14 4.41 0.00 2.87 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 0.00 150 E 9.10 4.02 0.00 2.20 2.02 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 2.35 2.51 0.00 151 I 8.15 3.74 2.13 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.79 1.09 0.00 0.00 152 Y 8.36 4.57 0.00 2.97 3.17 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 0.00 153 Q 8.40 3.83 0.00 2.23 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 154 S 8.59 4.21 0.00 3.93 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 0.00 155 I 8.47 4.12 2.22 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.96 0.66 0.00 0.00 156 Y 8.30 4.07 0.00 2.78 3.06 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 0.00 0.00 0.00 0.00 157 T 8.35 4.08 4.38 0.00 0.00 0.00 0.00 0.00 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 0.00 158 R 8.03 4.07 0.00 1.97 2.34 0.00 3.15 0.00 0.00 2.92 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.63 0.00 159 I 8.13 3.65 1.75 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.38 0.56 0.00 0.00 160 S 7.38 4.38 0.00 3.76 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 * Residues marked with a * may have inaccurate shift predictions.