NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 F 4.8184 8.1676 115.8679 57.1705 39.9544 175.8028 11 H 4.1786 5.5801 115.5221 54.2446 29.2831 170.4829 12 E 4.4405 9.4293 123.9252 57.6292 29.8921 176.6058 13 M 4.4544 7.1199 114.4274 55.2700 32.4583 176.5646 14 R 4.5259 7.6938 116.7960 55.9942 32.8996 176.0137 15 E 4.0150 8.0025 117.0830 55.3046 30.0220 174.7018 16 P 4.6253 0.0000 0.0000 63.0701 32.3569 175.1761 17 R 4.4781 8.3096 116.5940 55.2781 33.3557 173.6966 18 I 4.6540 8.3814 120.8387 60.5153 38.3056 175.0927 19 E 4.5473 9.0666 128.7028 54.5280 31.7786 172.1203 20 K 4.4422 8.8444 131.5774 55.5503 33.8935 174.4307 21 V 4.2323 7.8016 119.9404 61.0035 34.2979 173.9772 22 V 4.1200 8.2733 129.0308 62.4265 32.6504 175.0987 23 V 4.7689 8.5051 122.0885 59.1007 33.7686 174.3080 24 H 5.0331 8.5950 124.8924 54.4875 33.7901 172.0646 25 M 4.4363 8.7424 124.8320 53.6917 33.5473 175.2042 26 G 4.0118 8.2376 112.4828 45.5576 0.0000 172.6195 27 I 4.2894 7.7651 130.9023 60.2238 40.0760 176.6924 28 G 4.1321 7.8723 115.5554 45.9444 0.0000 172.0061 29 H 4.5196 7.9546 121.2869 55.6798 31.0615 174.6058 *35 A 4.4261 6.9111 121.9944 51.1640 19.1674 179.3686 36 N 4.2294 9.0395 115.8599 58.0774 37.2896 176.6418 37 A 3.8913 8.5375 121.6689 56.3406 18.1052 179.4424 38 E 3.5759 7.9905 112.3294 59.1592 29.2670 180.7193 39 D 4.3550 8.0706 118.5603 56.9570 40.9824 179.6853 40 I 3.7639 7.8327 114.0055 63.8334 37.6442 178.0736 41 L 4.0182 8.3417 121.3369 57.5191 41.6201 179.4455 42 G 3.7758 8.1397 105.0345 48.1088 0.0000 175.3352 43 E 3.9901 7.6953 119.8273 59.1198 29.6969 178.9575 44 I 3.8842 7.9382 117.7683 63.6983 37.9981 177.0464 45 T 4.3321 8.7730 109.5457 64.0620 69.6379 174.5117 46 G 3.4480 6.5684 110.8931 44.0617 0.0000 173.2038 47 Q 4.5479 7.4724 116.8592 54.1498 31.7094 174.5714 48 M 4.0171 8.5024 119.0825 55.6799 32.6818 174.8583 49 P 4.9035 0.0000 0.0000 61.4199 34.1955 174.7614 50 V 4.5132 7.9123 117.1374 61.6668 34.8999 175.9179 51 R 4.3687 8.7663 126.0617 57.0730 31.0875 176.8017 52 T 4.5006 8.5689 118.1801 61.3369 70.0758 173.9553 53 K 5.0470 8.7640 124.8173 55.8942 33.4887 175.4751 54 A 4.9875 7.6410 124.5243 50.7561 21.6998 175.5326 55 K 4.5422 8.1522 113.5592 56.3793 36.1490 176.4247 56 R 4.2594 8.6420 118.8189 56.8241 29.1759 175.8124 57 T 4.5708 8.2237 116.7142 62.2096 69.6739 174.5703 58 V 4.5522 9.1730 127.0313 60.4596 34.6343 176.6379 59 G 3.7259 8.6524 112.7606 48.1511 0.0000 174.5428 60 E 4.2364 8.0893 119.3206 58.0537 29.0057 176.3433 61 F 4.1824 7.9325 114.9701 60.8085 38.5079 175.6014 62 D 4.8598 8.1953 118.5349 51.9871 41.1382 174.5976 63 I 3.7624 7.7516 114.6627 61.0628 39.9185 177.4685 64 R 3.8559 7.9644 121.0817 56.3802 29.8284 175.3283 65 E 3.9069 9.0043 126.8873 58.8496 30.0346 176.3854 66 G 4.1187 7.7122 110.8936 44.6756 0.0000 172.4767 67 D 4.4456 7.9361 121.8980 51.4857 41.5276 173.7188 68 P 4.6173 0.0000 0.0000 63.1291 31.4859 176.6027 69 I 4.5862 7.9499 119.0727 60.4321 41.1166 174.4838 70 G 3.9649 7.2718 106.7743 46.1632 0.0000 171.6664 71 A 5.9400 8.1693 120.3930 49.2580 23.1022 175.3673 72 K 5.1497 8.4718 118.0581 55.3016 37.1856 175.2719 73 V 4.5802 8.1517 120.2081 61.9390 35.0010 172.9630 74 T 4.6251 8.5362 118.8916 60.2757 70.2356 173.7697 75 L 4.6929 8.1854 127.2602 52.9407 43.8163 175.9344 76 R 4.7494 8.1822 121.6787 55.3885 33.4839 177.1554 77 D 4.3713 8.6386 120.2326 55.0018 39.0974 174.8991 78 E 3.9524 9.0794 119.6254 61.3939 29.3557 178.8382 79 M 4.1045 8.2893 117.4340 58.7541 31.8457 178.7010 80 A 4.1283 8.3136 120.7759 55.2083 18.6652 179.1473 81 E 3.9387 8.2857 116.2139 59.9459 29.4212 179.2206 82 E 3.8840 8.4049 117.5449 59.7567 29.8495 179.4576 83 F 4.3360 7.9920 120.2337 61.4887 39.5484 177.1872 84 L 3.9514 8.4075 118.8234 57.7887 41.1395 179.3006 85 Q 4.2428 7.8556 114.1761 57.1741 28.3524 176.6221 86 T 4.4595 7.8073 108.3552 61.6780 73.0900 175.5784 87 A 3.9077 7.3665 124.3606 54.3739 18.1773 179.1275 88 L 3.4386 7.7818 115.6893 57.6009 41.6814 178.3131 89 P 4.2449 0.0000 0.0000 64.6814 31.2377 177.4750 90 L 4.5410 8.1668 117.0297 53.4991 41.8795 175.6152 91 A 4.8735 7.4962 121.4867 50.5877 22.1785 175.1665 92 E 4.4429 8.2752 115.0481 58.0984 31.9117 176.6962 93 L 3.8132 7.1270 117.2084 53.8746 43.0483 176.0393 94 A 4.4858 8.5583 121.8888 52.7001 21.3698 174.8923 95 T 3.1624 9.0534 108.1683 63.4212 68.9450 174.3525 96 S 3.8521 8.7060 114.6412 59.8934 63.4537 172.4595 97 Q 4.5695 9.4913 120.2812 55.6326 28.7230 174.5785 98 F 4.9292 7.9255 113.8112 54.9166 41.5495 175.0733 99 D 4.6729 9.6995 123.9821 54.7031 41.7680 175.5954 100 D 4.9018 8.5648 117.7725 54.7048 41.3415 177.1154 101 T 4.7202 7.3821 113.7741 61.7829 69.9206 173.7899 102 G 3.8620 8.4224 107.6072 47.2849 0.0000 172.8902 103 N 5.2634 7.7054 114.7228 51.1855 42.6901 173.5740 104 F 4.5666 7.5753 110.6393 56.1005 41.4071 172.9581 105 S 4.8702 8.8863 117.1141 56.4427 63.9045 172.6796 106 F 4.9455 8.3813 121.7992 54.9362 41.1364 173.8690 107 G 4.1728 8.9293 102.9565 43.7578 0.0000 174.1818 *128 L 3.9873 8.2395 126.2221 55.1951 42.8162 176.7425 129 D 4.7285 8.6839 126.4269 53.4939 43.7938 176.6356 130 V 4.3823 7.6320 119.1426 62.8304 33.8955 172.4353 131 T 4.4281 9.0872 125.6172 61.8267 70.5188 174.1932 132 V 4.3972 7.6690 124.8969 61.0758 34.2661 173.5891 133 N 4.9684 8.6440 127.2620 52.3981 40.3090 173.8146 134 L 5.3459 7.9896 124.9355 53.2054 45.8238 175.2653 135 V 4.1601 7.8588 119.0970 61.6315 35.1949 171.1162 136 R 4.6857 7.8957 116.6560 54.8148 31.6387 177.1657 137 P 4.0606 0.0000 0.0000 65.1776 32.3256 177.6352 138 G 4.0819 7.3985 105.5097 44.8051 0.0000 173.3970 139 Y 4.3875 7.7319 120.6631 59.5825 40.1187 176.7092 140 R 3.8187 8.3220 119.5461 59.5440 29.7935 177.8963 141 V 3.4787 7.8869 117.0878 66.2727 31.1472 177.4268 142 A 4.3389 7.5717 118.7984 52.8740 18.4695 178.5409 143 K 4.2157 7.3464 115.4683 58.0758 33.8290 177.0327 144 R 4.1623 8.0170 114.4974 56.5492 29.5329 174.6317 145 D 4.6774 8.5498 114.8819 56.3616 42.6263 177.4103 146 K 4.0514 7.8617 118.2844 57.3987 32.6799 176.8204 147 A 3.8181 8.7221 124.2548 52.5970 16.2461 176.9327 148 S 5.0094 7.2438 111.9387 59.8961 63.9726 173.3005 149 R 4.3840 7.7842 116.6580 55.5480 32.8545 173.3923 150 S 4.3729 8.7584 119.4777 58.0297 63.4622 173.6918 151 I 3.9574 8.2650 126.8801 60.2366 37.6135 174.3340 152 P 4.3402 0.0000 0.0000 62.9745 31.4316 177.4236 153 T 3.8872 8.6253 111.3588 64.6071 68.7017 176.3414 154 K 4.1030 8.0626 120.2804 58.5507 32.3691 176.9208 155 H 4.7422 8.2621 117.3195 55.7577 29.7543 174.3593 156 R 4.4988 7.3190 115.5770 54.4467 31.1971 175.6661 157 L 4.3602 8.1372 121.3773 54.5097 43.2883 175.5343 158 N 4.9503 8.3021 121.9575 50.8530 42.2237 173.8435 159 P 4.2358 0.0000 0.0000 66.1733 31.4521 178.4074 160 A 3.8686 7.9503 118.2891 55.6902 18.1387 179.0450 161 D 4.3540 8.2489 116.2834 57.6875 40.7925 178.9743 162 A 4.1480 8.3942 121.4906 55.1384 18.4258 179.3151 163 V 3.1537 7.8974 116.2155 66.9690 31.4394 177.6372 164 A 3.8450 8.1763 118.2903 55.4123 17.9507 178.9378 165 F 4.1417 8.1538 118.9394 61.5925 39.9763 178.0503 166 I 3.5866 7.9773 118.7327 64.3468 36.8131 177.7729 167 E 4.4579 8.5541 120.9705 58.6607 29.7826 179.5305 168 S 4.4824 8.4930 113.1834 57.1825 63.5126 175.1763 169 T 4.6060 7.8085 111.8967 63.7121 71.8297 173.4218 170 Y 3.3864 7.7722 120.4943 57.8202 35.6305 168.6314 171 D 4.3619 6.6408 117.1202 53.8188 43.1881 175.4937 172 V 4.7841 7.9666 117.1295 60.9986 35.6920 178.6423 173 E 4.4110 8.7035 122.5018 56.1870 28.5957 179.2442 174 V 2.6944 7.4851 111.5200 67.2923 33.1080 176.0146 *175 S 4.2830 8.1912 120.8516 58.3580 62.8314 175.9498 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 10 F 8.17 4.82 0.00 3.33 3.40 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 11 H 5.58 4.18 0.00 3.17 2.58 0.00 5.62 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 9.43 4.44 0.00 1.74 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 2.09 2.18 0.00 13 M 7.12 4.45 0.00 2.23 2.08 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.59 0.00 14 R 7.69 4.53 0.00 1.82 1.98 0.00 3.37 0.00 0.00 3.37 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00 15 E 8.00 4.02 0.00 2.16 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 2.39 2.30 0.00 16 P 0.00 4.63 0.00 0.93 1.62 0.00 3.55 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.94 0.00 17 R 8.31 4.48 0.00 1.84 1.88 0.00 2.77 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 18 I 8.38 4.65 1.99 0.00 0.00 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 1.49 0.91 0.99 0.00 0.00 19 E 9.07 4.55 0.00 1.83 1.71 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 2.20 2.24 0.00 20 K 8.84 4.44 0.00 2.09 1.97 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.32 7.81 21 V 7.80 4.23 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 1.14 0.00 0.00 1.00 0.00 0.00 22 V 8.27 4.12 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 0.79 0.00 0.00 0.86 0.00 0.00 23 V 8.51 4.77 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 0.48 0.00 0.00 0.67 0.00 0.00 24 H 8.60 5.03 0.00 3.15 2.98 0.00 5.63 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 25 M 8.74 4.44 0.00 1.89 1.88 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 2.45 2.39 0.00 26 G 8.24 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 0.00 0.00 0.00 27 I 7.77 4.29 1.87 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 1.10 0.69 0.75 0.00 0.00 28 G 7.87 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 29 H 7.95 4.52 0.00 3.13 3.34 0.00 5.76 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 *35 A 6.91 4.43 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 N 9.04 4.23 0.00 2.87 3.11 0.00 0.00 5.80 7.46 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 37 A 8.54 3.89 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 38 E 7.99 3.58 0.00 2.04 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 2.30 2.39 0.00 39 D 8.07 4.36 0.00 2.86 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 40 I 7.83 3.76 1.88 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 1.80 0.73 0.91 0.00 0.00 41 L 8.34 4.02 0.00 1.83 1.70 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.14 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 43 E 7.70 3.99 0.00 1.92 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 0.00 2.35 2.44 0.00 44 I 7.94 3.88 2.01 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.87 1.06 0.00 0.00 45 T 8.77 4.33 4.06 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 0.85 0.00 0.00 46 G 6.57 3.45 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 0.00 47 Q 7.47 4.55 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.76 0.00 0.00 0.00 0.00 0.00 2.19 2.27 0.00 48 M 8.50 4.02 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.58 0.00 49 P 0.00 4.90 0.00 2.00 1.97 0.00 3.61 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.01 0.00 50 V 7.91 4.51 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 1.01 0.00 0.00 0.91 0.00 0.00 51 R 8.77 4.37 0.00 1.72 1.84 0.00 3.35 0.00 0.00 3.26 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 52 T 8.57 4.50 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 1.21 0.00 0.00 53 K 8.76 5.05 0.00 1.63 1.74 0.00 1.72 0.00 0.00 2.35 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.28 7.81 54 A 7.64 4.99 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 55 K 8.15 4.54 0.00 1.70 1.66 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.45 7.81 56 R 8.64 4.26 0.00 1.99 2.05 0.00 3.19 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 57 T 8.22 4.57 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 1.24 0.00 0.00 58 V 9.17 4.55 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 1.00 0.00 0.00 0.95 0.00 0.00 59 G 8.65 3.73 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 0.00 0.00 0.00 60 E 8.09 4.24 0.00 2.14 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 2.31 2.34 0.00 61 F 7.93 4.18 0.00 3.02 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 62 D 8.20 4.86 0.00 2.89 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 63 I 7.75 3.76 1.93 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.88 1.06 0.00 0.00 64 R 7.96 3.86 0.00 1.76 2.09 0.00 3.19 0.00 0.00 3.10 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.61 0.00 65 E 9.00 3.91 0.00 2.04 1.92 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 2.37 2.30 0.00 66 G 7.71 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 67 D 7.94 4.45 0.00 2.81 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 68 P 0.00 4.62 0.00 2.04 2.01 0.00 3.62 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 69 I 7.95 4.59 1.96 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 1.20 1.30 0.90 0.00 0.00 70 G 7.27 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 71 A 8.17 5.94 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 72 K 8.47 5.15 0.00 1.76 1.90 0.00 1.46 0.00 0.00 1.71 0.00 0.00 2.77 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.35 7.81 73 V 8.15 4.58 1.92 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 0.88 0.00 0.00 0.85 0.00 0.00 74 T 8.54 4.63 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 1.17 0.00 0.00 75 L 8.19 4.69 0.00 1.47 1.56 0.45 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.18 4.75 0.00 1.64 1.79 0.00 3.32 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 77 D 8.64 4.37 0.00 2.89 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 78 E 9.08 3.95 0.00 2.02 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 2.43 2.46 0.00 79 M 8.29 4.10 0.00 2.02 2.28 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.60 0.00 80 A 8.31 4.13 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 81 E 8.29 3.94 0.00 2.05 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 0.00 2.46 2.47 0.00 82 E 8.40 3.88 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 83 F 7.99 4.34 0.00 3.22 3.37 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 84 L 8.41 3.95 0.00 1.88 1.75 1.07 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 7.86 4.24 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.74 0.00 0.00 0.00 0.00 0.00 2.16 2.48 0.00 86 T 7.81 4.46 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 1.15 0.00 0.00 87 A 7.37 3.91 0.98 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 0.00 0.00 88 L 7.78 3.44 0.00 1.59 1.62 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.24 0.00 1.96 2.08 0.00 3.65 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.12 0.00 90 L 8.17 4.54 0.00 1.78 1.72 0.92 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 91 A 7.50 4.87 0.98 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 0.00 0.00 92 E 8.28 4.44 0.00 1.92 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 2.19 2.29 0.00 93 L 7.13 3.81 0.00 1.77 1.77 0.98 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.56 4.49 1.38 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 0.00 0.00 0.00 95 T 9.05 3.16 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 1.12 0.00 0.00 96 S 8.71 3.85 0.00 4.20 4.15 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 97 Q 9.49 4.57 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.71 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 98 F 7.93 4.93 0.00 3.04 3.03 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 99 D 9.70 4.67 0.00 2.77 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 D 8.56 4.90 0.00 2.71 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 0.00 101 T 7.38 4.72 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 1.23 0.00 0.00 102 G 8.42 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 0.00 103 N 7.71 5.26 0.00 2.94 2.69 0.00 0.00 6.55 8.13 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 0.00 104 F 7.58 4.57 0.00 2.39 1.92 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 0.00 105 S 8.89 4.87 0.00 3.74 3.71 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 0.00 106 F 8.38 4.95 0.00 3.13 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 0.00 107 G 8.93 4.17 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 0.00 *128 L 8.24 3.99 0.00 1.68 1.65 0.93 1.14 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 0.00 129 D 8.68 4.73 0.00 2.62 2.45 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 0.00 130 V 7.63 4.38 0.99 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 0.93 0.00 0.00 0.94 0.00 0.00 131 T 9.09 4.43 4.09 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 1.08 0.00 0.00 132 V 7.67 4.40 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 1.04 0.00 0.00 0.82 0.00 0.00 133 N 8.64 4.97 0.00 2.82 2.97 0.00 0.00 6.54 6.20 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 0.00 134 L 7.99 5.35 0.00 1.71 1.51 1.29 1.11 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 0.00 135 V 7.86 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 0.42 0.00 0.00 0.71 0.00 0.00 136 R 7.90 4.69 0.00 1.85 2.12 0.00 2.91 0.00 0.00 2.91 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 137 P 0.00 4.06 0.00 2.30 2.11 0.00 3.74 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 138 G 7.40 4.08 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 0.00 139 Y 7.73 4.39 0.00 3.13 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 0.00 140 R 8.32 3.82 0.00 1.93 1.94 0.00 3.27 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 141 V 7.89 3.48 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 0.95 0.00 0.00 0.96 0.00 0.00 142 A 7.57 4.34 1.04 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 0.00 143 K 7.35 4.22 0.00 1.58 1.78 0.00 1.76 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.83 1.36 7.81 144 R 8.02 4.16 0.00 1.86 1.97 0.00 3.05 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.65 0.00 145 D 8.55 4.68 0.00 2.65 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 0.00 146 K 7.86 4.05 0.00 1.80 1.71 0.00 1.80 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.42 7.81 147 A 8.72 3.82 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 S 7.24 5.01 0.00 3.91 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 0.00 149 R 7.78 4.38 0.00 1.83 1.71 0.00 3.16 0.00 0.00 3.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.48 0.00 150 S 8.76 4.37 0.00 3.92 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 0.00 151 I 8.27 3.96 1.99 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 1.48 1.19 1.08 0.00 0.00 152 P 0.00 4.34 0.00 2.21 2.02 0.00 3.63 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 153 T 8.63 3.89 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 1.23 0.00 0.00 154 K 8.06 4.10 0.00 1.79 1.94 0.00 1.63 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.50 7.81 155 H 8.26 4.74 0.00 3.09 3.31 0.00 5.93 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 R 7.32 4.50 0.00 2.07 1.86 0.00 3.43 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.74 0.00 157 L 8.14 4.36 0.00 1.68 1.75 0.88 0.58 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 0.00 158 N 8.30 4.95 0.00 3.00 2.69 0.00 0.00 7.09 8.03 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 0.00 159 P 0.00 4.24 0.00 2.13 2.15 0.00 3.63 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 2.16 2.47 0.00 160 A 7.95 3.87 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 0.00 161 D 8.25 4.35 0.00 2.97 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 0.00 162 A 8.39 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 163 V 7.90 3.15 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 0.73 0.00 0.00 0.31 0.00 0.00 164 A 8.18 3.85 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 F 8.15 4.14 0.00 2.97 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 I 7.98 3.59 1.98 0.00 0.00 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 1.61 0.89 0.87 0.00 0.00 167 E 8.55 4.46 0.00 1.86 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 2.28 2.15 0.00 168 S 8.49 4.48 0.00 3.86 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 0.00 169 T 7.81 4.61 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 170 Y 7.77 3.39 0.00 2.97 3.04 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 0.00 171 D 6.64 4.36 0.00 2.86 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 V 7.97 4.78 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 0.84 0.00 0.00 0.90 0.00 0.00 173 E 8.70 4.41 0.00 1.99 1.24 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 2.31 2.25 0.00 174 V 7.49 2.69 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 0.95 0.00 0.00 0.89 0.00 0.00 *175 S 8.19 4.28 0.00 3.64 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 * Residues marked with a * may have inaccurate shift predictions.