NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3688 8.4045 118.7952 54.4560 33.7117 176.3819 2 D 4.4679 7.9650 120.1406 51.6783 40.0856 176.3368 3 I 4.0057 9.1682 127.6910 60.6560 39.0811 175.2104 4 K 5.1985 8.5855 124.3733 54.8130 36.0052 175.3729 5 R 4.7038 9.2793 121.4039 54.7718 33.7267 173.4911 6 Y 4.6661 8.8896 127.0479 57.9297 40.2976 173.5643 7 C 4.7440 8.6105 128.1581 56.8435 32.6721 172.6738 8 P 4.1357 0.0000 0.0000 64.8729 31.6068 178.0443 9 V 3.6389 7.4947 118.9066 65.9786 31.5177 176.7792 10 T 3.9311 7.4734 106.2237 61.2275 69.5143 173.4104 11 D 4.3691 7.5846 120.5543 53.7943 40.2268 171.6958 12 S 4.7826 7.0152 110.9386 57.0397 67.6572 173.0381 13 E 4.9866 8.7291 119.6325 55.5983 30.1696 176.3080 14 L 4.8625 8.8577 124.5587 52.0044 45.4294 174.2420 15 P 4.8775 0.0000 0.0000 62.7293 31.8427 177.9169 16 A 4.0446 8.7349 127.1067 54.8190 18.4537 178.3172 17 D 4.6225 8.0985 113.2242 54.4711 39.9454 176.2055 18 H 4.4482 8.4381 121.3619 56.2225 30.5622 176.2092 19 V 3.8129 8.0363 123.7862 63.5802 31.5137 177.6495 20 Y 3.8093 8.0805 120.8082 61.0567 38.5042 178.0857 21 F 4.0251 7.8286 117.9848 59.9964 38.8687 177.7823 22 K 3.5699 7.6842 119.0823 59.1589 32.0274 178.0958 23 F 4.0809 8.0213 121.1202 61.6538 39.1566 177.1044 24 R 3.4123 7.8227 118.4505 59.2708 29.8051 178.5891 25 S 4.0032 7.8101 113.7672 60.9910 62.9071 176.3728 26 E 3.9035 7.8622 122.6891 59.1255 29.1750 178.9857 27 I 3.3058 7.0021 119.7945 64.3774 36.9566 178.3704 28 E 3.7197 7.9931 119.1497 59.0261 29.1176 179.2339 29 A 3.6202 7.8106 120.6737 54.9253 18.4648 179.3855 30 A 4.0401 8.0342 119.3925 55.6582 18.3917 179.8405 31 E 3.8828 8.2671 116.8290 59.2762 29.4153 179.4614 32 A 3.8294 8.0504 121.2176 55.2548 18.2778 179.3502 33 Y 4.1134 7.9832 115.6429 61.1771 37.9650 178.5024 34 L 4.0695 8.2217 120.1441 57.6443 41.6759 179.7898 35 G 3.6159 8.3601 106.0677 47.8304 0.0000 175.7903 36 L 3.8564 7.9126 121.5862 56.6273 41.6856 179.1734 37 A 4.4080 8.2251 121.0387 55.3830 18.2252 179.5338 38 I 3.7732 8.4068 118.9788 64.7595 37.2647 178.6653 39 S 4.2597 8.2327 114.3991 60.9208 62.5572 176.0111 40 E 4.3441 8.4461 121.7508 56.6811 29.8492 176.3101 41 G 3.8053 8.3242 106.4722 46.2283 0.0000 174.1715 42 I 4.2094 7.1328 118.0381 60.1453 41.5344 175.5843 43 K 3.5682 8.3714 126.3016 57.7575 30.2048 177.5121 44 V 3.6875 7.5962 119.4745 65.7714 31.8489 176.3351 45 R 3.8865 7.8889 117.9858 59.7423 29.9540 178.3510 46 E 4.6034 8.0602 118.8188 58.9359 29.4975 179.3262 47 T 4.1442 7.9705 115.7795 66.5506 68.6385 177.2165 48 R 4.0188 8.2303 120.0691 59.1185 30.0426 178.8967 49 E 3.9795 8.3924 118.5949 59.5268 29.4975 179.2428 50 I 3.8272 7.6731 118.4759 63.5276 37.9474 177.5766 51 L 3.9462 8.0422 121.5052 58.2175 41.9043 178.6168 52 D 4.3772 8.2486 118.7480 57.4724 40.6857 178.9608 53 I 3.7196 7.7711 120.0927 64.4119 37.0660 178.5038 54 I 3.6891 7.8141 120.5310 64.5648 36.9191 178.0108 55 D 4.5649 8.3540 118.9201 57.6085 41.0890 178.3872 56 T 3.9955 8.0681 117.5851 66.1882 68.3026 176.6394 57 V 3.6323 7.8297 118.8700 66.2928 31.5998 177.1132 58 Y 4.4758 8.4256 119.4219 60.7600 38.7987 177.0721 59 N 4.2991 8.6788 116.4932 54.3896 38.6538 176.9258 60 S 4.4717 7.6920 115.3662 60.4453 63.1010 175.8893 61 L 4.1919 7.5203 122.6091 56.8729 41.4272 177.4639 62 S 4.7700 7.9189 109.6734 57.4730 65.5467 172.8479 63 D 4.5248 7.2660 120.1622 54.0273 40.6976 178.1050 *66 S 4.1460 8.9002 119.5702 58.3345 61.8365 172.1704 67 K 4.7164 8.1191 127.5268 52.1210 35.3152 173.9090 68 L 4.4080 8.4119 123.1149 53.5887 42.5617 177.4044 69 N 4.6178 8.6411 120.9515 52.7819 39.2529 176.1314 70 D 4.3349 8.4629 119.3569 57.3957 40.9101 178.5734 *71 F 3.9849 8.1361 120.9531 61.2812 39.1363 176.8432 72 Q 4.1572 8.7090 116.9523 58.6637 28.6632 178.0277 73 E 4.0859 8.2785 123.1550 59.5077 29.4323 179.5326 74 K 3.8788 8.0036 123.9390 60.0677 31.9146 180.9350 75 R 4.1034 7.9884 120.0422 59.6403 29.6470 178.4416 76 L 4.2028 7.5876 116.7483 57.3166 41.7845 178.4619 77 N 4.6353 7.9617 115.0743 54.9783 38.8298 176.9074 *78 F 4.2993 8.2644 122.3456 59.7678 39.2012 175.1682 79 T 4.1502 7.0323 112.6692 61.4469 67.3015 173.8230 80 E 4.4894 8.4754 128.3018 54.6342 31.4180 175.2079 81 E 3.7481 7.8467 121.3093 55.4886 29.5586 176.1686 82 D 4.7540 8.2644 126.2469 53.0059 42.0986 175.9021 83 W 4.3649 8.6056 130.7824 57.7231 31.2976 174.6310 84 Y 3.9051 6.1974 120.5901 55.8512 39.6497 173.5213 85 D 4.1074 7.6774 118.9977 51.4526 43.1091 175.7605 86 I 3.1344 8.0726 127.7075 63.8148 37.9300 177.2782 87 K 3.7976 8.0010 120.4087 59.6259 31.7219 178.6189 88 E 4.0214 7.5897 120.0231 59.8899 29.4327 179.7999 89 K 4.1457 7.8508 122.2799 59.4649 31.8921 180.8657 90 A 4.2119 7.6707 120.9235 55.2143 18.4035 179.0569 91 N 4.3869 8.2469 115.6682 57.4377 38.7656 175.8907 92 N 4.5522 7.7818 118.1195 51.1840 38.8495 175.3472 93 G 3.7522 7.8623 110.1000 47.0951 0.0000 173.3482 94 N 4.6369 7.9789 117.7330 52.5180 40.3889 174.3320 95 R 3.6183 8.5218 127.2188 58.9011 30.5109 178.2796 96 W 4.4113 8.3957 128.0191 60.9647 30.6001 178.0455 97 S 3.8909 8.7502 113.1481 61.1810 62.3857 176.1937 98 L 3.9953 7.6051 122.4411 57.7171 41.2835 178.7917 99 Y 4.2283 7.6469 116.8948 61.2345 37.6499 178.6384 100 M 3.7278 7.6417 119.4802 58.2800 31.9019 178.6572 101 F 3.8858 7.9964 117.7832 60.6370 39.0506 177.6749 102 L 3.6576 8.0726 118.4573 57.5749 41.1463 179.5427 103 A 4.0891 7.9968 120.9284 55.1346 18.2702 179.5738 104 R 3.7467 8.0925 117.5332 59.6113 30.0400 178.7176 105 S 4.1155 8.3320 114.9660 61.6245 62.7884 176.5948 106 A 4.1567 8.1091 123.1817 55.1953 18.1871 179.5777 107 V 3.5016 8.0342 117.0591 66.5589 31.5800 177.8916 108 D 4.4580 8.4419 118.6726 57.6422 40.5606 179.1646 109 S 4.2598 8.4326 115.5737 61.5342 62.8168 176.5126 110 A 4.2086 8.4035 123.8476 55.0264 17.8103 179.9362 111 V 3.5672 7.8979 116.1007 66.6496 31.9151 176.9453 112 Y 4.1413 8.0347 118.8759 61.2854 38.4770 178.4018 113 W 4.3501 8.6875 119.7246 59.7921 29.2330 178.7652 114 S 3.7869 8.7051 114.6385 61.2256 61.9691 176.2448 115 Y 4.0422 7.7512 120.4596 60.9416 37.4428 178.0957 116 R 3.8878 7.7549 117.5880 59.1968 30.4160 178.4421 117 M 4.1128 8.1660 118.1547 58.5637 32.3019 178.2350 118 K 4.0121 8.1269 119.4520 58.9496 31.9608 177.3278 119 E 4.5451 7.6124 117.0475 55.7048 29.9643 175.8913 120 T 4.5991 7.5487 112.9911 60.3514 70.8714 176.1470 121 E 3.9761 8.9303 119.5586 59.3633 29.7612 179.1224 122 E 3.9246 8.1392 117.3759 58.1304 29.8504 177.4172 123 F 4.6147 7.5237 114.8284 56.2265 40.9560 176.8424 124 K 4.2690 8.1619 119.9759 58.8239 32.0392 177.4625 125 E 4.3999 7.9833 115.8502 56.5089 30.5066 176.6478 126 I 4.0009 7.5754 118.5115 62.4935 38.1814 176.0514 127 V 3.9650 7.7536 120.5959 61.5989 31.9205 175.0507 128 K 4.6569 8.1543 126.4332 54.4317 34.6448 177.3891 129 E 3.9171 8.5892 121.4889 59.0083 29.4595 179.1269 130 E 3.8802 8.2167 119.4403 59.5841 29.5883 178.4904 131 M 4.0017 7.8351 117.3751 58.7168 32.3296 178.0410 132 I 3.5935 7.6308 119.4711 64.6327 37.2504 178.2312 133 S 4.0764 8.6031 114.0294 61.1278 62.0551 176.3910 134 K 3.9571 7.8710 121.1711 59.0461 31.8848 178.9133 135 L 3.8965 8.0084 120.7434 58.0492 41.9634 178.7759 136 L 3.6953 7.9150 120.0430 58.1984 42.0225 178.9766 137 K 3.4299 7.8298 118.0511 59.4097 31.9288 179.1645 138 A 4.0559 8.2931 121.3334 54.9053 18.3154 179.9566 139 G 3.4862 7.7297 104.0699 48.0854 0.0000 175.7098 140 Y 4.3162 7.8023 119.1656 60.7310 37.7881 178.6287 141 V 3.5945 8.0473 119.4765 66.1462 31.5860 177.9906 142 I 3.5896 7.8048 119.5157 64.2476 36.7376 178.2122 143 L 3.2927 7.5261 120.6525 57.9653 41.7442 178.8621 144 R 3.8676 7.5689 117.1732 59.5946 30.3982 177.9851 145 E 4.2471 8.6059 118.9761 59.4471 29.2894 179.5036 146 S 4.1409 7.9588 113.2893 60.8316 63.0100 175.7089 147 L 4.5655 7.5673 120.7775 55.4688 41.8341 176.8291 148 G 3.8163 7.8469 112.5584 45.7395 0.0000 173.4707 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 M 8.40 4.37 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 2 D 7.97 4.47 0.00 2.77 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 I 9.17 4.01 1.87 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 1.34 0.36 0.89 0.00 0.00 4 K 8.59 5.20 0.00 1.63 1.73 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.37 7.81 5 R 9.28 4.70 0.00 1.52 1.42 0.00 2.50 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.39 0.00 6 Y 8.89 4.67 0.00 3.17 2.95 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 7 C 8.61 4.74 0.00 2.52 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.14 0.00 2.26 2.37 0.00 3.88 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 2.12 2.13 0.00 9 V 7.49 3.64 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 0.92 0.00 0.00 1.01 0.00 0.00 10 T 7.47 3.93 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 0.69 0.00 0.00 11 D 7.58 4.37 0.00 2.76 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 12 S 7.02 4.78 0.00 3.83 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 13 E 8.73 4.99 0.00 1.92 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 2.38 2.35 0.00 14 L 8.86 4.86 0.00 1.79 1.63 0.55 1.03 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 15 P 0.00 4.88 0.00 2.40 2.05 0.00 3.74 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 2.21 2.16 0.00 16 A 8.73 4.04 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 17 D 8.10 4.62 0.00 2.85 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 H 8.44 4.45 0.00 3.68 3.35 0.00 5.77 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 V 8.04 3.81 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 0.73 0.00 0.00 1.21 0.00 0.00 20 Y 8.08 3.81 0.00 2.54 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.83 4.03 0.00 3.12 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 22 K 7.68 3.57 0.00 1.44 1.32 0.00 1.24 0.00 0.00 1.36 0.00 0.00 2.46 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.30 0.21 7.81 23 F 8.02 4.08 0.00 3.12 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 24 R 7.82 3.41 0.00 1.29 1.78 0.00 3.41 0.00 0.00 3.41 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 25 S 7.81 4.00 0.00 3.99 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 26 E 7.86 3.90 0.00 2.06 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 0.00 2.41 2.71 0.00 27 I 7.00 3.31 1.06 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 -0.12 -0.44 0.00 0.00 28 E 7.99 3.72 0.00 1.90 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 2.19 2.19 0.00 29 A 7.81 3.62 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 30 A 8.03 4.04 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 31 E 8.27 3.88 0.00 2.02 1.93 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 2.22 2.34 0.00 32 A 8.05 3.83 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 Y 7.98 4.11 0.00 3.11 3.09 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 0.00 0.00 0.00 0.00 34 L 8.22 4.07 0.00 1.82 1.72 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.36 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 0.00 0.00 0.00 36 L 7.91 3.86 0.00 1.15 0.22 0.66 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.23 4.41 1.27 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 0.00 0.00 0.00 38 I 8.41 3.77 2.07 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 1.66 1.23 0.94 0.00 0.00 39 S 8.23 4.26 0.00 4.06 4.26 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 40 E 8.45 4.34 0.00 2.49 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 0.00 2.89 2.95 0.00 41 G 8.32 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 42 I 7.13 4.21 1.49 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.90 0.12 0.00 0.00 43 K 8.37 3.57 0.00 0.79 1.34 0.00 1.80 0.00 0.00 1.93 0.00 0.00 3.02 0.00 0.00 3.43 0.00 0.00 0.00 0.00 1.11 0.74 7.81 44 V 7.60 3.69 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 1.00 0.00 0.00 0.94 0.00 0.00 45 R 7.89 3.89 0.00 1.92 1.91 0.00 3.24 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 46 E 8.06 4.60 0.00 2.19 2.24 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 2.43 2.34 0.00 47 T 7.97 4.14 4.44 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 1.36 0.00 0.00 48 R 8.23 4.02 0.00 1.90 2.00 0.00 3.15 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.91 0.00 49 E 8.39 3.98 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 2.61 0.00 50 I 7.67 3.83 1.90 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.21 0.97 0.00 0.00 51 L 8.04 3.95 0.00 1.82 1.83 0.90 1.01 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 52 D 8.25 4.38 0.00 2.98 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 53 I 7.77 3.72 2.01 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 1.53 0.77 0.92 0.00 0.00 54 I 7.81 3.69 1.99 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 1.38 0.64 0.85 0.00 0.00 55 D 8.35 4.56 0.00 2.93 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 56 T 8.07 4.00 4.47 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 1.23 0.00 0.00 57 V 7.83 3.63 2.32 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 0.84 0.00 0.00 1.03 0.00 0.00 58 Y 8.43 4.48 0.00 3.03 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 59 N 8.68 4.30 0.00 2.84 2.77 0.00 0.00 6.78 6.94 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 60 S 7.69 4.47 0.00 4.06 4.26 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 61 L 7.52 4.19 0.00 1.59 1.79 0.98 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 62 S 7.92 4.77 0.00 3.90 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 D 7.27 4.52 0.00 2.83 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 *66 S 8.90 4.15 0.00 3.91 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 67 K 8.12 4.72 0.00 1.75 1.49 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.24 0.99 7.81 68 L 8.41 4.41 0.00 1.64 1.64 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.64 4.62 0.00 3.03 2.99 0.00 0.00 6.85 7.87 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 70 D 8.46 4.33 0.00 2.84 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 *71 F 8.14 3.98 0.00 2.44 2.48 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 72 Q 8.71 4.16 0.00 2.32 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.60 0.00 0.00 0.00 0.00 0.00 2.64 2.40 0.00 73 E 8.28 4.09 0.00 2.09 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 2.33 2.55 0.00 74 K 8.00 3.88 0.00 1.78 1.83 0.00 1.84 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.34 7.81 75 R 7.99 4.10 0.00 2.06 2.17 0.00 3.07 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 76 L 7.59 4.20 0.00 1.81 1.71 0.96 1.11 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 77 N 7.96 4.64 0.00 2.78 2.89 0.00 0.00 6.98 7.50 0.00 0.00 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 F 8.26 4.30 0.00 2.62 2.37 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 79 T 7.03 4.15 4.42 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 1.43 0.00 0.00 80 E 8.48 4.49 0.00 1.97 1.82 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 2.28 2.30 0.00 81 E 7.85 3.75 0.00 1.16 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 2.01 1.69 0.00 82 D 8.26 4.75 0.00 2.74 2.70 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 83 W 8.61 4.36 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 84 Y 6.20 3.91 0.00 2.99 2.77 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 85 D 7.68 4.11 0.00 2.29 2.35 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 86 I 8.07 3.13 1.73 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.74 0.75 0.00 0.00 87 K 8.00 3.80 0.00 1.81 1.74 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.42 7.81 88 E 7.59 4.02 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 2.50 2.53 0.00 89 K 7.85 4.15 0.00 1.85 1.73 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.07 7.81 90 A 7.67 4.21 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 91 N 8.25 4.39 0.00 2.91 2.80 0.00 0.00 7.31 6.23 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 92 N 7.78 4.55 0.00 2.69 2.75 0.00 0.00 7.04 7.53 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 93 G 7.86 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 0.00 0.00 0.00 94 N 7.98 4.64 0.00 2.82 2.78 0.00 0.00 7.09 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 R 8.52 3.62 0.00 2.05 1.79 0.00 3.27 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 96 W 8.40 4.41 0.00 3.46 3.44 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 97 S 8.75 3.89 0.00 4.38 4.54 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.61 4.00 0.00 1.53 1.54 0.79 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 99 Y 7.65 4.23 0.00 2.95 3.09 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 0.00 0.00 0.00 0.00 100 M 7.64 3.73 0.00 1.45 1.60 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.41 0.00 101 F 8.00 3.89 0.00 3.00 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 0.00 102 L 8.07 3.66 0.00 1.10 0.13 0.80 0.70 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 0.00 103 A 8.00 4.09 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 0.00 104 R 8.09 3.75 0.00 1.65 1.98 0.00 2.93 0.00 0.00 2.82 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 105 S 8.33 4.12 0.00 4.03 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 0.00 106 A 8.11 4.16 1.56 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 0.00 0.00 0.00 0.00 0.00 0.00 107 V 8.03 3.50 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 1.01 0.00 0.00 0.91 0.00 0.00 108 D 8.44 4.46 0.00 2.91 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 0.00 109 S 8.43 4.26 0.00 4.28 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 0.00 110 A 8.40 4.21 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 0.00 111 V 7.90 3.57 2.36 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 0.99 0.00 0.00 1.02 0.00 0.00 112 Y 8.03 4.14 0.00 2.99 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 0.00 113 W 8.69 4.35 0.00 3.67 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 0.00 114 S 8.71 3.79 0.00 3.59 4.37 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 0.00 115 Y 7.75 4.04 0.00 2.96 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 0.00 116 R 7.75 3.89 0.00 2.04 2.08 0.00 3.12 0.00 0.00 3.03 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.17 0.00 117 M 8.17 4.11 0.00 1.91 1.99 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.78 0.00 118 K 8.13 4.01 0.00 1.86 1.96 0.00 1.59 0.00 0.00 1.65 0.00 0.00 3.24 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.57 7.81 119 E 7.61 4.55 0.00 2.11 1.97 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 2.52 2.45 0.00 120 T 7.55 4.60 4.56 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 0.00 0.00 0.00 1.33 0.00 0.00 121 E 8.93 3.98 0.00 2.01 1.93 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 2.24 1.92 0.00 122 E 8.14 3.92 0.00 1.55 1.27 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 2.11 2.23 0.00 123 F 7.52 4.61 0.00 3.42 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 0.00 124 K 8.16 4.27 0.00 1.84 2.16 0.00 1.58 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.66 1.39 7.81 125 E 7.98 4.40 0.00 1.90 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 2.20 2.21 0.00 126 I 7.58 4.00 1.89 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 1.14 0.64 0.98 0.00 0.00 127 V 7.75 3.97 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 0.56 0.00 0.00 0.84 0.00 0.00 128 K 8.15 4.66 0.00 1.76 1.64 0.00 1.72 0.00 0.00 1.79 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.34 7.81 129 E 8.59 3.92 0.00 2.01 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 2.37 2.39 0.00 130 E 8.22 3.88 0.00 2.02 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 2.37 2.38 0.00 131 M 7.84 4.00 0.00 2.20 2.02 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.75 0.00 132 I 7.63 3.59 1.79 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.38 0.57 0.00 0.00 133 S 8.60 4.08 0.00 3.83 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 0.00 134 K 7.87 3.96 0.00 2.02 1.83 0.00 1.73 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.57 7.81 135 L 8.01 3.90 0.00 1.90 1.66 1.04 0.41 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 0.00 136 L 7.92 3.70 0.00 1.80 1.58 0.91 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 137 K 7.83 3.43 0.00 1.75 1.94 0.00 1.79 0.00 0.00 1.86 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.40 7.81 138 A 8.29 4.06 1.35 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 0.00 0.00 139 G 7.73 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.80 4.32 0.00 3.15 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 0.00 141 V 8.05 3.59 2.27 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 1.10 0.00 0.00 1.01 0.00 0.00 142 I 7.80 3.59 1.89 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 1.31 0.54 0.66 0.00 0.00 143 L 7.53 3.29 0.00 1.59 1.69 -0.07 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 144 R 7.57 3.87 0.00 1.84 2.11 0.00 3.42 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 145 E 8.61 4.25 0.00 2.06 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 0.00 2.41 2.58 0.00 146 S 7.96 4.14 0.00 3.72 3.43 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 0.00 147 L 7.57 4.57 0.00 1.64 1.86 1.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 148 G 7.85 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.