NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2734 8.1593 117.3738 63.5689 69.7409 173.5069 2 S 4.4382 8.3603 121.1716 55.7978 65.1466 173.2004 3 K 4.0065 9.4383 122.2909 59.7191 32.7734 179.6398 4 K 3.8258 8.1320 118.1578 59.6502 31.8207 178.8086 5 K 4.1269 7.7183 117.4522 58.3127 32.1197 177.7905 6 R 4.4751 7.6279 116.4091 56.6498 30.8600 177.5111 7 Q 4.1463 7.9622 120.2710 57.2736 28.4661 176.1441 8 R 4.0178 7.5689 118.8207 58.6383 30.1715 176.3399 9 G 4.1087 9.0496 111.5402 45.5429 0.0000 174.2310 10 S 4.1821 8.2588 113.5294 58.6137 63.4595 174.2285 11 R 4.1604 7.9617 124.7340 57.2544 29.2150 176.5878 12 T 4.2760 7.6220 104.9712 61.4363 69.6270 174.2250 13 H 4.5850 8.3173 118.0849 55.9924 26.9163 175.6755 14 G 3.9108 8.5166 104.2554 45.9409 0.0000 174.9704 15 G 3.8550 8.2900 107.3445 45.1820 0.0000 176.0868 16 G 3.9279 7.9069 106.3238 44.5769 0.0000 173.7778 17 S 4.1296 8.6647 116.8486 58.8393 62.6414 174.9571 18 H 4.4151 8.8805 121.3003 57.1530 28.2095 175.7599 19 K 4.1157 7.7047 119.1611 56.9051 31.8569 177.4944 20 N 4.3519 7.7990 117.5144 55.8060 39.2293 177.2273 21 R 4.4673 7.4791 119.3841 56.2182 28.9875 177.2977 22 R 4.5938 7.3253 122.2759 56.1632 30.7394 179.9970 23 G 4.0717 8.4764 121.7143 45.6874 0.0000 173.6699 24 A 4.1398 8.6587 121.5499 54.4549 19.0159 180.2459 25 G 3.6102 8.1201 105.2023 48.7839 0.0000 174.9801 26 H 4.4752 8.0524 117.5651 57.7589 28.6797 175.6517 27 R 4.4056 8.1169 117.0842 55.9292 30.6687 176.6702 28 G 3.8054 8.4053 105.5827 46.6647 0.0000 173.9304 29 G 4.1170 7.2763 103.6919 43.5310 0.0000 174.5901 30 R 3.9857 8.7110 120.6894 57.1022 31.6723 176.1391 31 G 3.7422 8.2150 113.7800 47.5300 0.0000 173.4016 32 D 4.7105 8.6748 124.1310 53.8070 40.5673 175.4785 33 A 4.0813 7.5373 122.7052 54.0610 18.7246 178.8897 34 G 3.7816 8.9842 109.3506 45.8382 0.0000 175.2496 35 R 4.0172 7.8071 115.9732 57.3792 29.2485 177.2344 36 D 5.0802 7.9071 116.1353 52.7951 41.9018 175.6697 37 K 4.4215 8.7853 116.8460 57.4200 32.7616 176.8329 38 H 4.6101 9.5911 125.0264 58.1322 29.7991 176.3009 39 E 4.7389 7.6783 120.6393 55.7157 30.5553 177.9638 40 F 4.8987 8.3318 115.7430 59.3575 38.3584 175.0650 41 H 3.5063 5.4979 114.6980 57.4221 28.6852 174.4478 42 N 4.2905 8.8946 120.2521 54.7288 35.7545 173.5577 43 H 4.9533 7.6861 113.8841 53.6125 31.6876 174.1589 44 E 4.1941 8.6293 122.5300 55.2610 30.0358 175.3709 45 P 4.4112 0.0000 0.0000 62.7246 31.8053 176.2057 46 L 4.1105 8.0900 119.6503 55.1141 42.2243 175.7318 47 G 4.1982 8.1246 105.6512 43.7050 0.0000 173.4039 48 K 4.5696 8.1495 119.2022 54.8170 34.0384 176.6985 49 S 4.3514 8.3132 115.8960 58.0436 65.1372 175.2298 50 G 4.0027 9.3531 118.4690 45.1861 0.0000 171.6238 51 F 4.9738 8.1677 112.5323 55.5402 40.8939 173.3048 52 K 4.3518 8.4233 119.7022 54.5203 34.8694 176.2451 53 R 4.6265 8.0891 120.8880 53.8450 31.7159 174.7769 54 P 4.2849 0.0000 0.0000 63.2821 31.4024 177.0038 55 Q 3.9085 9.0231 121.2111 59.1118 28.7274 178.6994 56 K 4.3568 7.9775 113.3624 57.1233 32.8737 177.0214 57 V 4.2607 8.0399 118.1160 62.8348 31.9898 174.8543 58 Q 4.5517 7.5874 117.4956 54.9702 29.9652 174.7768 59 E 4.5613 8.5533 121.4989 54.4788 31.7881 174.9772 60 E 4.4850 8.3570 122.8688 54.2502 32.0919 174.3279 61 A 4.0119 8.2733 129.1000 51.0227 20.0121 176.3671 62 A 4.3896 9.1468 125.5031 51.1942 19.6763 176.7287 63 T 5.3967 8.0740 111.6631 60.6409 71.6517 173.9694 64 I 4.3598 7.7283 119.6002 60.4176 41.5496 173.2088 65 D 5.2152 8.5777 128.4269 53.4016 42.2777 177.8538 66 V 3.6623 8.5114 116.1368 64.7706 31.6307 178.8274 67 R 3.8898 7.9233 117.9478 59.5446 29.4755 178.1857 68 E 3.9445 7.9615 118.1805 59.1917 30.0221 178.2915 69 I 3.7532 7.6875 119.3268 64.5577 37.0349 177.4439 70 D 4.3063 8.2728 118.3169 57.7502 41.1304 178.2722 71 E 4.2179 8.0103 116.8252 58.0151 29.7968 177.0513 72 N 5.0290 7.9333 116.8232 52.8799 39.9930 177.3254 73 V 3.2854 7.9135 113.2655 64.6467 31.7333 178.0491 74 T 3.9560 7.4894 108.0751 64.5678 68.7018 175.5860 75 L 4.0877 7.7108 120.5779 56.8496 42.2079 176.9702 76 L 4.4237 7.4322 119.8177 53.6940 41.4989 178.2669 77 A 3.9937 8.0997 122.5242 55.3939 18.6361 178.3202 78 A 4.4874 7.7829 117.3900 52.2865 18.7776 176.8921 79 D 4.6986 8.1762 119.6267 55.8760 45.5489 175.5660 80 D 4.2366 7.5213 121.3401 49.5143 41.2374 175.3379 81 V 4.5655 8.4536 122.2682 61.1997 33.7085 174.3535 82 A 4.7739 7.9975 131.9414 50.7301 20.9028 175.1212 83 E 3.7559 8.9513 111.5260 59.6889 29.7336 177.0364 *89 F 4.5253 7.7370 117.3228 57.3394 41.1161 173.6861 90 R 5.2467 8.6816 120.2158 54.6934 32.3718 174.9802 91 V 4.5002 8.9043 125.5757 60.0427 35.3835 174.4161 92 D 4.5028 8.7625 123.6571 53.0025 41.1050 176.5874 93 V 3.5622 8.4701 126.8471 66.2420 31.7505 178.3780 94 R 3.6092 7.6243 117.3414 59.6411 29.9264 177.9068 95 D 4.5693 8.3854 116.6387 55.4354 41.1272 178.4617 96 V 3.9208 8.1878 119.6607 64.0984 32.1435 176.3911 97 V 3.5752 7.2887 117.1517 63.0640 31.5292 175.4961 98 E 4.1899 8.6289 126.3048 56.8947 30.2469 176.4612 99 E 4.1533 8.6654 116.9988 57.6487 26.8619 174.5194 100 A 4.5378 7.4372 119.6325 52.6668 19.2121 178.3450 101 D 4.7739 7.9784 117.5299 57.7485 42.8985 178.0812 102 D 4.5226 8.0786 113.7388 53.6843 39.3108 175.4613 103 A 4.6443 7.4177 122.2505 50.9040 20.5058 177.6739 104 D 4.4472 8.6787 121.0098 55.9266 41.7592 175.7259 105 Y 4.6672 6.6981 116.3925 56.9642 40.5046 172.0222 106 V 4.7601 8.7331 121.0543 61.2149 33.7683 174.3103 107 K 4.8074 9.0846 129.1681 54.5586 35.3042 174.5370 108 V 4.5479 8.3939 127.5089 61.6513 33.1012 174.7426 109 L 4.5336 9.3643 128.6372 52.7468 44.2345 176.7692 110 G 4.4004 7.7454 108.2491 45.1907 0.0000 173.1609 111 A 4.6787 7.9967 121.7990 51.6473 22.1313 178.6598 112 G 4.0393 8.9756 108.6973 44.5451 0.0000 172.2011 113 Q 4.4794 8.1160 117.1591 54.2241 30.8915 175.5067 114 V 4.4106 7.9993 117.4626 61.8476 33.0137 175.3594 115 R 4.6755 8.7078 129.5783 55.4837 30.6001 176.0984 116 H 4.8178 7.7348 111.8575 54.7376 32.7596 173.2629 117 E 4.6539 8.7316 121.4381 55.3363 30.0856 176.1097 118 L 5.0955 8.6410 124.1876 53.2594 45.8155 175.8918 119 T 5.0199 9.2518 120.3635 62.0228 70.1960 172.4309 120 L 5.1866 8.6270 126.8581 53.0641 44.4981 175.7057 121 I 5.6526 8.7954 123.6910 58.9629 39.9004 174.6779 122 A 5.0252 8.6884 127.2606 50.8023 22.4246 175.7892 123 D 4.4757 8.6274 117.3084 56.2448 42.0397 176.3597 124 D 4.5153 7.0653 115.4032 53.6796 44.3502 174.3099 125 F 5.4849 9.1248 120.9937 54.9926 43.6499 173.8954 126 S 4.7235 8.6122 114.4269 57.0305 65.5059 174.4662 127 E 4.0134 9.2303 120.3270 60.2788 29.2737 179.9933 128 G 3.7706 8.2724 104.4423 47.9016 0.0000 175.2349 129 A 4.0736 8.1024 122.8073 55.1949 18.3653 179.8533 130 R 3.7280 7.9832 116.0495 59.3841 30.3102 178.5853 131 E 3.9300 8.4708 118.6396 59.8236 29.3925 180.0849 132 K 3.9963 8.0060 117.8680 59.5192 32.0728 179.7534 133 V 3.7335 7.8523 118.5383 65.7920 31.3931 177.9180 134 E 4.7636 8.0593 120.2825 58.4330 29.3126 179.1058 135 G 3.9910 8.1778 104.2473 46.6759 0.0000 174.3332 136 A 4.6827 7.5805 121.1682 51.0566 20.2967 176.7751 137 G 3.7687 8.5720 106.2802 48.1923 0.0000 172.8363 138 G 4.6833 7.7475 104.5923 43.1021 0.0000 171.7786 139 S 5.0683 8.9407 112.9970 56.2960 66.8735 173.4923 140 V 4.2662 8.1593 120.3441 61.2637 33.5492 174.3531 141 E 4.5349 9.3575 129.2853 54.6339 31.2466 175.1151 142 L 4.9097 8.4844 127.6336 54.5730 42.8772 176.5392 143 T 4.1505 8.8127 123.3321 63.6931 69.6045 175.1155 144 D 4.6403 8.6821 122.8871 56.7047 39.2323 178.9272 145 L 4.0261 7.9202 120.8929 58.0105 42.1194 178.7719 146 G 3.5177 7.3844 102.1189 45.7910 0.0000 173.4297 147 E 4.4079 8.1103 121.5578 57.2862 29.3282 177.4783 148 E 4.6151 7.4460 115.1413 56.4075 30.2820 177.9956 149 R 4.3553 7.5209 120.1449 52.9381 28.8830 176.3525 150 Q 4.2972 7.8790 121.6457 56.7816 29.2830 173.2075 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 1 T 8.16 4.27 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 1.20 0.00 0.00 2 S 8.36 4.44 0.00 4.05 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 3 K 9.44 4.01 0.00 1.83 1.84 0.00 1.74 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.53 7.81 4 K 8.13 3.83 0.00 1.83 1.87 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.53 7.81 5 K 7.72 4.13 0.00 1.67 2.01 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.14 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.52 7.81 6 R 7.63 4.48 0.00 1.90 1.90 0.00 3.20 0.00 0.00 3.21 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 7 Q 7.96 4.15 0.00 1.83 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.57 6.93 0.00 0.00 0.00 0.00 0.00 2.52 2.42 0.00 8 R 7.57 4.02 0.00 1.79 1.91 0.00 3.35 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 9 G 9.05 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.26 4.18 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 11 R 7.96 4.16 0.00 1.98 2.09 0.00 3.21 0.00 0.00 3.27 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 12 T 7.62 4.28 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 1.32 0.00 0.00 13 H 8.32 4.58 0.00 3.21 3.39 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.52 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 0.00 0.00 0.00 15 G 8.29 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 0.00 0.00 0.00 16 G 7.91 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 17 S 8.66 4.13 0.00 3.87 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 18 H 8.88 4.42 0.00 3.31 3.39 0.00 5.57 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.70 4.12 0.00 1.71 1.80 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.28 1.29 7.81 20 N 7.80 4.35 0.00 2.74 2.59 0.00 0.00 6.95 8.32 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 21 R 7.48 4.47 0.00 1.79 1.92 0.00 3.19 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 22 R 7.33 4.59 0.00 1.75 0.98 0.00 3.22 0.00 0.00 3.20 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 23 G 8.48 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 0.00 0.00 0.00 24 A 8.66 4.14 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 25 G 8.12 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.05 4.48 0.00 3.12 3.49 0.00 5.90 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.12 4.41 0.00 1.98 1.87 0.00 3.26 0.00 0.00 3.16 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 28 G 8.41 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 29 G 7.28 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 30 R 8.71 3.99 0.00 1.91 1.82 0.00 3.39 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 31 G 8.22 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 32 D 8.67 4.71 0.00 2.72 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 33 A 7.54 4.08 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 34 G 8.98 3.78 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 0.00 0.00 0.00 35 R 7.81 4.02 0.00 1.58 1.89 0.00 2.73 0.00 0.00 3.16 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 36 D 7.91 5.08 0.00 2.74 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 37 K 8.79 4.42 0.00 1.76 1.67 0.00 1.76 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.37 1.51 7.81 38 H 9.59 4.61 0.00 3.32 3.46 0.00 5.47 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.68 4.74 0.00 2.02 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 2.27 2.07 0.00 40 F 8.33 4.90 0.00 3.23 3.26 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 41 H 5.50 3.51 0.00 2.97 3.06 0.00 5.78 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 42 N 8.89 4.29 0.00 2.80 2.87 0.00 0.00 6.90 8.16 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 43 H 7.69 4.95 0.00 3.29 3.20 0.00 5.85 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.63 4.19 0.00 1.98 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 2.33 2.31 0.00 45 P 0.00 4.41 0.00 2.18 2.09 0.00 3.79 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 2.01 2.02 0.00 46 L 8.09 4.11 0.00 1.66 1.64 0.91 0.94 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 47 G 8.12 4.20 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 0.00 48 K 8.15 4.57 0.00 1.76 1.75 0.00 1.76 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.41 7.81 49 S 8.31 4.35 0.00 3.78 3.70 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 0.00 0.00 0.00 50 G 9.35 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.17 4.97 0.00 3.13 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 52 K 8.42 4.35 0.00 1.71 1.66 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.74 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.22 1.36 7.81 53 R 8.09 4.63 0.00 1.80 1.90 0.00 3.37 0.00 0.00 3.32 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.67 0.00 54 P 0.00 4.28 0.00 2.23 2.23 0.00 3.80 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.04 0.00 55 Q 9.02 3.91 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.05 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 56 K 7.98 4.36 0.00 1.86 1.91 0.00 1.53 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.43 7.81 57 V 8.04 4.26 2.19 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 0.85 0.00 0.00 0.95 0.00 0.00 58 Q 7.59 4.55 0.00 2.23 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.40 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 59 E 8.55 4.56 0.00 1.97 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 2.49 2.30 0.00 60 E 8.36 4.49 0.00 1.92 1.68 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 2.13 2.18 0.00 61 A 8.27 4.01 0.77 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 0.00 0.00 62 A 9.15 4.39 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 63 T 8.07 5.40 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 1.18 0.00 0.00 64 I 7.73 4.36 1.85 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 1.18 0.93 0.00 0.00 65 D 8.58 5.22 0.00 2.74 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 66 V 8.51 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 0.91 0.00 0.00 1.00 0.00 0.00 67 R 7.92 3.89 0.00 2.01 2.00 0.00 3.08 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.66 0.00 68 E 7.96 3.94 0.00 2.01 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 2.30 2.33 0.00 69 I 7.69 3.75 2.00 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 1.52 0.76 0.90 0.00 0.00 70 D 8.27 4.31 0.00 2.70 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 71 E 8.01 4.22 0.00 2.02 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 2.34 2.56 0.00 72 N 7.93 5.03 0.00 2.65 2.69 0.00 0.00 6.83 7.23 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 73 V 7.91 3.29 0.67 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 0.43 0.00 0.00 0.22 0.00 0.00 74 T 7.49 3.96 4.25 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 1.20 0.00 0.00 75 L 7.71 4.09 0.00 1.71 1.75 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.43 4.42 0.00 1.85 1.76 0.87 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 77 A 8.10 3.99 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 78 A 7.78 4.49 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 79 D 8.18 4.70 0.00 2.70 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 80 D 7.52 4.24 0.00 3.03 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 81 V 8.45 4.57 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 0.45 0.00 0.00 1.05 0.00 0.00 82 A 8.00 4.77 1.17 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 0.00 0.00 83 E 8.95 3.76 0.00 2.05 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 0.00 2.26 2.34 0.00 *89 F 7.74 4.53 0.00 3.02 3.10 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 90 R 8.68 5.25 0.00 1.84 1.81 0.00 3.22 0.00 0.00 3.30 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 91 V 8.90 4.50 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 0.68 0.00 0.00 0.95 0.00 0.00 92 D 8.76 4.50 0.00 2.78 2.86 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 93 V 8.47 3.56 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 0.86 0.00 0.00 0.99 0.00 0.00 94 R 7.62 3.61 0.00 1.97 2.03 0.00 3.22 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 95 D 8.39 4.57 0.00 2.70 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 96 V 8.19 3.92 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 0.79 0.00 0.00 0.93 0.00 0.00 97 V 7.29 3.58 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 0.82 0.00 0.00 0.96 0.00 0.00 98 E 8.63 4.19 0.00 2.05 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 2.38 2.31 0.00 99 E 8.67 4.15 0.00 2.09 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 2.18 2.27 0.00 100 A 7.44 4.54 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 0.00 101 D 7.98 4.77 0.00 2.67 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 0.00 102 D 8.08 4.52 0.00 2.76 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 0.00 103 A 7.42 4.64 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 0.00 104 D 8.68 4.45 0.00 2.55 2.53 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 0.00 0.00 0.00 0.00 105 Y 6.70 4.67 0.00 3.17 3.02 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 0.00 106 V 8.73 4.76 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 0.00 107 K 9.08 4.81 0.00 2.05 1.65 0.00 1.89 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.51 7.81 108 V 8.39 4.55 1.76 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 1.00 0.00 0.00 0.73 0.00 0.00 109 L 9.36 4.53 0.00 1.76 1.57 0.92 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 110 G 7.75 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 0.00 0.00 0.00 0.00 111 A 8.00 4.68 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 0.00 112 G 8.98 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 0.00 113 Q 8.12 4.48 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.80 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 114 V 8.00 4.41 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 1.00 0.00 0.00 0.96 0.00 0.00 115 R 8.71 4.68 0.00 1.72 1.81 0.00 3.24 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 116 H 7.73 4.82 0.00 3.23 3.33 0.00 5.69 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.73 4.65 0.00 1.91 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 0.00 2.33 2.24 0.00 118 L 8.64 5.10 0.00 1.61 1.58 1.00 0.73 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 0.00 119 T 9.25 5.02 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 1.23 0.00 0.00 120 L 8.63 5.19 0.00 1.85 1.82 1.07 0.79 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 0.00 121 I 8.80 5.65 1.94 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 1.17 1.57 1.04 0.00 0.00 122 A 8.69 5.03 0.69 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 0.00 123 D 8.63 4.48 0.00 2.75 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 0.00 124 D 7.07 4.52 0.00 2.48 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 0.00 0.00 0.00 0.00 125 F 9.12 5.48 0.00 2.85 2.92 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 0.00 126 S 8.61 4.72 0.00 3.93 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 0.00 127 E 9.23 4.01 0.00 2.05 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 2.42 2.43 0.00 128 G 8.27 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 0.00 0.00 0.00 129 A 8.10 4.07 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 0.00 0.00 0.00 0.00 0.00 130 R 7.98 3.73 0.00 2.02 1.93 0.00 3.17 0.00 0.00 3.28 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.66 0.00 131 E 8.47 3.93 0.00 1.99 2.04 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 2.34 2.53 0.00 132 K 8.01 4.00 0.00 1.91 1.87 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.65 7.81 133 V 7.85 3.73 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 1.07 0.00 0.00 1.06 0.00 0.00 134 E 8.06 4.76 0.00 2.02 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 2.39 2.34 0.00 135 G 8.18 3.99 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 0.00 0.00 0.00 136 A 7.58 4.68 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.57 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 0.00 0.00 0.00 138 G 7.75 4.68 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 0.00 139 S 8.94 5.07 0.00 3.81 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 0.00 140 V 8.16 4.27 1.66 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 -0.88 0.00 0.00 0.44 0.00 0.00 141 E 9.36 4.53 0.00 1.95 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 2.24 2.21 0.00 142 L 8.48 4.91 0.00 1.70 1.61 1.20 1.11 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 0.00 143 T 8.81 4.15 4.35 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 1.26 0.00 0.00 144 D 8.68 4.64 0.00 2.69 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 0.00 145 L 7.92 4.03 0.00 1.72 1.80 1.01 1.37 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 0.00 146 G 7.38 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 0.00 147 E 8.11 4.41 0.00 2.20 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 2.33 2.47 0.00 148 E 7.45 4.62 0.00 1.95 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 2.21 2.50 0.00 149 R 7.52 4.36 0.00 1.78 1.88 0.00 3.31 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 150 Q 7.88 4.30 0.00 1.99 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.65 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 * Residues marked with a * may have inaccurate shift predictions.