NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.3266 8.3444 119.6872 55.8376 30.1727 174.1257 3 R 4.4256 8.2972 120.2463 54.3525 32.9358 169.3286 4 V 4.5975 9.0484 118.4709 59.8421 36.5811 174.2797 5 T 4.6389 8.3477 118.0646 61.7589 70.8734 173.5514 6 I 4.7530 8.0523 117.4939 59.1675 41.0160 174.3168 7 T 4.6462 8.2592 109.5743 59.6522 71.0059 173.1955 8 L 4.8483 8.2269 124.8318 52.4644 44.0266 176.3601 9 D 4.4196 8.6202 120.5262 53.8562 40.5818 177.1470 10 D 4.4039 8.7521 123.3473 58.2177 41.0571 178.4267 11 D 4.3347 8.1925 117.7991 56.9586 41.1125 177.5141 12 L 3.8813 8.4069 120.2688 58.4440 42.2585 178.9561 13 L 3.9461 7.8782 121.9490 59.1240 41.8933 179.4783 14 E 3.9984 7.9710 117.7706 61.5926 29.1229 181.1568 15 T 4.0982 7.7768 116.4418 66.1316 68.4528 176.5226 16 L 3.9283 8.0253 122.4311 58.3791 42.2803 178.7887 17 D 4.3714 8.6769 119.3233 57.0062 40.6483 178.9741 18 S 4.0954 8.1525 115.0785 61.4398 62.8928 176.2515 19 L 3.9438 7.5324 123.5552 57.6167 41.5525 178.4765 20 S 4.1707 7.8467 111.8302 61.8618 62.3220 176.1584 21 Q 4.4604 7.6759 119.6888 58.3627 28.7261 177.8668 22 R 4.0951 8.1368 118.6505 58.6906 31.3897 177.0558 23 R 4.6279 8.3215 114.7039 54.2186 31.2727 175.0044 24 G 3.6566 8.8590 111.3960 44.4719 0.0000 172.3228 25 Y 4.2149 8.1226 125.0334 58.2991 38.2129 176.2404 26 N 4.8539 8.6315 125.8818 53.4098 39.6835 175.1777 27 N 4.9548 7.7483 116.5873 50.8941 42.0615 173.0768 28 R 3.7804 8.6438 128.0585 59.9291 30.2791 177.8227 29 S 4.0444 8.1692 113.9991 62.2600 62.7092 176.3143 30 E 3.9287 9.2036 120.5070 60.0103 29.2713 179.7895 31 A 2.5800 7.4457 119.8271 54.7228 18.5177 179.4509 32 I 3.5035 7.7166 118.1544 64.6087 37.2056 178.4222 33 R 3.8551 8.2326 118.7884 60.0149 29.9064 178.4461 34 D 4.4721 8.4816 118.2568 57.9865 40.7965 179.4519 35 I 3.7988 7.5191 119.6784 63.7825 36.9851 178.3159 36 L 3.9488 8.2178 122.0069 58.2354 42.1536 179.1620 37 R 3.9991 8.6822 117.7832 58.5586 29.6748 179.3240 38 S 4.0772 7.5202 114.8034 61.9629 63.2141 175.5942 39 A 3.9806 7.7752 122.8491 56.0041 17.8502 179.0934 40 L 3.7972 8.5621 115.0491 58.3637 41.7794 179.6611 41 A 4.0914 8.0423 121.5176 54.5035 18.6341 179.2463 42 Q 4.0809 7.9112 118.6309 58.8258 29.1101 177.3267 43 E 4.9623 7.9354 117.7772 55.9763 29.7781 176.6910 44 A 4.6727 7.8621 120.2100 52.1319 21.4012 178.6696 45 T 4.1291 7.8359 112.1420 66.5094 69.2737 176.3482 46 Q 4.3392 7.7477 120.4043 54.3547 26.8565 173.7462 47 Q 4.5390 7.3022 122.2603 56.6364 33.5828 174.5789 *48 H 4.4252 8.5592 115.5466 55.0689 28.6563 174.8423 49 G 3.9870 8.7932 106.4968 46.5893 0.0000 173.8908 50 T 3.7944 7.9645 118.9878 64.7376 68.7134 174.1639 51 Q 4.8703 9.1211 124.0444 52.4378 33.2108 172.2288 52 G 4.2204 7.2895 106.0561 47.2938 0.0000 172.3166 53 F 5.5771 8.1543 121.9967 55.9076 43.2929 173.8862 54 A 4.9656 9.2450 120.7790 51.0125 23.2094 175.8833 55 V 4.5354 9.1497 121.1827 61.0095 33.4103 174.0724 56 L 4.8470 8.9561 131.4359 54.1500 42.6949 175.3586 57 S 5.1796 8.5980 122.0313 56.8363 66.2773 172.5591 58 Y 5.0023 7.2701 117.9377 57.0496 41.5542 172.2853 59 V 5.7625 8.0948 118.8068 60.8557 35.6496 173.2697 60 Y 5.2081 8.1918 123.4282 57.3937 41.0795 172.7468 61 E 5.7039 9.1225 117.9628 54.5639 30.8219 175.1885 62 H 4.5403 9.0735 123.0836 57.5425 29.0522 177.2088 63 E 3.7680 8.2817 117.5188 59.2904 29.6439 182.9510 64 K 4.1328 8.0772 124.9828 54.8790 31.0689 180.1522 65 R 3.9282 8.7814 127.0262 58.2423 29.3808 174.7673 66 D 5.0136 8.1788 115.4027 54.1434 40.7333 182.5945 67 L 4.5898 8.6747 121.6171 56.2762 43.1346 181.8121 68 A 4.4175 7.4416 121.5425 55.3357 18.7052 177.4642 69 S 4.6902 8.1288 110.9019 58.7574 62.9642 176.8651 70 R 4.2968 7.8639 122.8133 60.2473 29.5836 181.9576 71 I 3.7630 7.1253 120.4846 64.1226 37.0468 178.8215 72 V 3.6527 7.8051 119.5077 65.0143 30.7805 178.4967 73 S 4.1301 7.8985 114.2762 61.6085 63.0746 176.1579 74 T 3.9218 7.4728 118.3524 66.8538 68.2267 176.4942 75 Q 3.8872 8.0244 119.7287 59.4984 28.5726 178.9207 76 H 4.4559 8.3948 118.1379 59.3410 28.7025 177.8674 *77 H 4.4077 8.1830 120.7155 58.6912 28.5111 180.6823 78 H 5.2942 8.1783 118.6191 55.3773 29.1150 175.2946 79 H 4.4767 8.5437 114.6186 57.3630 28.6771 175.6855 80 D 4.4674 7.8879 118.8632 54.4211 40.0729 176.8307 81 L 4.7813 8.1948 118.9066 53.8960 42.8895 175.7156 82 S 4.8678 7.8848 113.4834 57.0251 63.4492 172.9176 83 V 4.1620 8.2485 127.9799 64.2428 31.8392 175.5459 84 A 4.6693 7.4936 118.8636 51.5846 23.2394 174.4385 85 T 4.8908 8.1273 115.1976 62.3942 71.6656 174.1978 86 L 4.3644 8.7778 129.6104 55.1779 43.6742 175.1029 87 H 5.2668 8.5097 122.7714 54.7943 33.1643 172.3853 88 V 4.3753 8.8216 124.4445 61.4989 35.1809 173.9109 89 H 5.2952 8.4708 122.2175 53.4205 27.6671 173.5751 90 I 3.7833 7.8968 122.7948 63.8239 37.7314 175.6862 91 N 4.8066 7.9554 114.2988 52.0459 39.8118 175.0081 92 H 4.0518 8.2906 115.5150 57.7744 29.0535 175.5782 93 D 4.9983 8.5945 114.5202 52.7755 41.9421 174.5874 94 D 5.3644 8.8759 120.8135 53.0934 43.4397 175.0377 95 C 4.8808 9.0166 120.6178 57.6625 31.5910 172.7415 96 L 4.9997 8.4357 125.6527 53.6083 43.6486 174.5442 97 E 5.0764 8.8856 126.3960 54.4691 32.8617 175.4917 98 I 4.6937 8.6068 123.3789 59.4525 40.9356 174.0854 99 A 5.1082 9.1687 129.9725 50.0302 21.4305 175.2678 100 V 4.2955 8.4916 123.6863 62.4482 33.0204 175.0020 101 L 5.3284 9.3386 127.2228 52.8570 45.7038 175.3959 102 K 4.7057 9.9420 122.5658 53.8966 35.7918 175.3316 103 G 3.9766 7.4980 113.8869 45.6418 0.0000 169.2938 104 D 4.9890 8.0460 127.9717 54.1179 40.3378 177.5153 *106 G 3.9211 8.1517 101.4964 44.9961 0.0000 173.7247 107 D 4.5469 7.8958 116.3662 57.2553 40.9642 179.3774 108 V 3.8350 7.9151 118.3035 65.8728 31.4080 177.6548 109 Q 3.9939 8.1090 116.8597 60.3549 28.8591 178.0825 110 H 4.1121 9.2778 118.0128 58.7844 29.5351 177.2411 111 F 3.6332 9.4548 122.1681 61.0367 39.9964 177.5197 112 A 4.2522 9.2060 121.0999 55.8065 18.1445 178.8592 113 D 4.4015 8.3711 116.6561 57.9837 40.5768 179.0421 114 D 4.2839 7.8402 118.2873 57.8478 40.6829 179.6712 115 V 3.4023 7.2904 116.8166 65.7362 31.5323 177.8677 116 I 3.7584 8.1905 119.2928 64.1373 36.9951 177.2816 117 A 3.9803 9.2647 123.6776 52.9121 19.6361 180.9635 118 Q 3.4444 7.7917 120.4576 57.0746 24.3334 177.2046 119 R 3.8572 6.7682 119.1870 55.2793 29.8884 176.6890 120 G 4.0337 8.8466 110.7215 44.4452 0.0000 174.0079 121 V 4.2431 7.0047 118.7756 61.4246 30.7471 175.5015 122 R 4.3663 8.4275 126.1513 55.5141 31.4428 177.2085 123 H 4.0239 8.6492 113.2436 56.1483 27.0247 175.2486 124 G 4.0772 7.8212 107.7103 45.9357 0.0000 172.5459 125 H 5.0356 9.4966 124.4781 54.3244 33.9955 171.7102 126 L 5.1215 7.9955 124.6841 53.3523 45.1029 174.8965 127 Q 4.7149 8.7276 126.9260 54.5809 31.4393 173.7626 128 C 5.0461 8.7115 123.5002 58.0471 30.5294 173.9828 129 L 4.9532 9.1249 122.1487 51.5612 41.2661 173.8944 130 P 4.7252 0.0000 0.0000 63.5341 32.5622 178.4256 131 K 4.3090 8.3213 122.4886 55.5060 31.3588 177.4123 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 2 Q 8.34 4.33 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.65 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 3 R 8.30 4.43 0.00 1.78 1.74 0.00 3.18 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.71 0.00 4 V 9.05 4.60 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 0.80 0.00 0.00 0.92 0.00 0.00 5 T 8.35 4.64 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 1.21 0.00 0.00 6 I 8.05 4.75 1.86 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 1.46 0.65 0.90 0.00 0.00 7 T 8.26 4.65 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 1.21 0.00 0.00 8 L 8.23 4.85 0.00 1.68 1.61 0.91 0.78 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 9 D 8.62 4.42 0.00 2.88 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 10 D 8.75 4.40 0.00 2.66 2.81 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 11 D 8.19 4.33 0.00 2.74 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 12 L 8.41 3.88 0.00 1.96 1.77 0.91 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.88 3.95 0.00 1.78 1.67 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 14 E 7.97 4.00 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 15 T 7.78 4.10 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 1.21 0.00 0.00 16 L 8.03 3.93 0.00 1.72 1.82 0.83 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.68 4.37 0.00 2.84 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 18 S 8.15 4.10 0.00 4.06 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 0.00 19 L 7.53 3.94 0.00 1.82 1.88 0.98 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 20 S 7.85 4.17 0.00 3.86 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 21 Q 7.68 4.46 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.62 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 22 R 8.14 4.10 0.00 1.81 2.08 0.00 3.22 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 23 R 8.32 4.63 0.00 1.90 1.88 0.00 3.22 0.00 0.00 3.28 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 24 G 8.86 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 25 Y 8.12 4.21 0.00 2.95 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 26 N 8.63 4.85 0.00 2.78 2.84 0.00 0.00 6.42 6.92 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 27 N 7.75 4.95 0.00 2.88 2.71 0.00 0.00 6.90 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 28 R 8.64 3.78 0.00 1.89 1.88 0.00 3.25 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 29 S 8.17 4.04 0.00 4.10 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 30 E 9.20 3.93 0.00 2.06 2.26 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 2.39 2.59 0.00 31 A 7.45 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 I 7.72 3.50 2.01 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 1.45 0.60 0.87 0.00 0.00 33 R 8.23 3.86 0.00 1.92 2.01 0.00 3.16 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 34 D 8.48 4.47 0.00 2.84 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 35 I 7.52 3.80 1.95 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 1.38 1.64 0.90 0.00 0.00 36 L 8.22 3.95 0.00 1.93 1.67 0.91 0.86 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 37 R 8.68 4.00 0.00 1.87 1.98 0.00 3.20 0.00 0.00 3.18 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 38 S 7.52 4.08 0.00 3.97 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 39 A 7.78 3.98 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 40 L 8.56 3.80 0.00 1.70 1.70 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.04 4.09 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 42 Q 7.91 4.08 0.00 2.21 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 7.04 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 43 E 7.94 4.96 0.00 1.92 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 2.36 2.25 0.00 44 A 7.86 4.67 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 45 T 7.84 4.13 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 1.22 0.00 0.00 46 Q 7.75 4.34 0.00 2.23 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.16 6.61 0.00 0.00 0.00 0.00 0.00 2.49 2.38 0.00 47 Q 7.30 4.54 0.00 2.18 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.07 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 *48 H 8.56 4.43 0.00 2.84 2.93 0.00 7.34 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.79 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 50 T 7.96 3.79 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 1.28 0.00 0.00 51 Q 9.12 4.87 0.00 1.92 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.90 0.00 0.00 0.00 0.00 0.00 2.24 1.88 0.00 52 G 7.29 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 0.00 0.00 0.00 0.00 53 F 8.15 5.58 0.00 2.97 2.81 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 54 A 9.24 4.97 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 9.15 4.54 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 0.91 0.00 0.00 0.92 0.00 0.00 56 L 8.96 4.85 0.00 1.86 1.77 1.15 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.60 5.18 0.00 3.84 3.87 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 58 Y 7.27 5.00 0.00 3.15 3.19 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 59 V 8.09 5.76 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 1.11 0.00 0.00 1.00 0.00 0.00 60 Y 8.19 5.21 0.00 3.15 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 61 E 9.12 5.70 0.00 1.76 1.77 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 2.14 1.69 0.00 62 H 9.07 4.54 0.00 3.19 3.41 0.00 5.71 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.28 3.77 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 1.89 0.00 64 K 8.08 4.13 0.00 1.67 1.77 0.00 1.78 0.00 0.00 1.85 0.00 0.00 2.88 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.00 7.81 65 R 8.78 3.93 0.00 1.82 1.90 0.00 3.19 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.22 0.00 66 D 8.18 5.01 0.00 2.66 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 67 L 8.67 4.59 0.00 1.48 1.64 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 68 A 7.44 4.42 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 S 8.13 4.69 0.00 3.89 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 70 R 7.86 4.30 0.00 1.83 1.90 0.00 3.33 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 71 I 7.13 3.76 1.69 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.24 0.81 0.00 0.00 72 V 7.81 3.65 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 0.99 0.00 0.00 73 S 7.90 4.13 0.00 3.98 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 74 T 7.47 3.92 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 0.93 0.00 0.00 75 Q 8.02 3.89 0.00 2.35 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.80 0.00 0.00 0.00 0.00 0.00 2.81 2.69 0.00 76 H 8.39 4.46 0.00 3.40 3.35 0.00 5.66 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *77 H 8.18 4.41 0.00 3.01 2.98 0.00 7.15 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 H 8.18 5.29 0.00 3.63 3.59 0.00 5.78 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 H 8.54 4.48 0.00 3.36 3.67 0.00 5.52 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 80 D 7.89 4.47 0.00 2.74 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 81 L 8.19 4.78 0.00 1.84 1.57 1.09 0.73 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 82 S 7.88 4.87 0.00 3.93 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 83 V 8.25 4.16 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 0.82 0.00 0.00 1.07 0.00 0.00 84 A 7.49 4.67 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 85 T 8.13 4.89 4.30 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 1.28 0.00 0.00 86 L 8.78 4.36 0.00 1.76 1.48 0.90 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 87 H 8.51 5.27 0.00 3.17 3.03 0.00 5.74 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 88 V 8.82 4.38 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 0.89 0.00 0.00 0.88 0.00 0.00 89 H 8.47 5.30 0.00 3.04 3.13 0.00 5.79 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 90 I 7.90 3.78 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.30 0.89 0.00 0.00 91 N 7.96 4.81 0.00 2.89 2.87 0.00 0.00 6.17 7.90 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 92 H 8.29 4.05 0.00 3.19 3.40 0.00 5.64 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 D 8.59 5.00 0.00 2.64 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 94 D 8.88 5.36 0.00 2.82 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 95 C 9.02 4.88 0.00 1.62 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 0.00 0.00 0.00 96 L 8.44 5.00 0.00 1.72 1.45 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 97 E 8.89 5.08 0.00 2.08 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 2.47 2.38 0.00 98 I 8.61 4.69 1.79 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.90 0.84 0.00 0.00 99 A 9.17 5.11 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 0.00 100 V 8.49 4.30 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 0.87 0.00 0.00 0.89 0.00 0.00 101 L 9.34 5.33 0.00 1.39 1.32 0.24 0.13 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 0.00 102 K 9.94 4.71 0.00 1.86 1.54 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.69 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.99 0.29 7.81 103 G 7.50 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 D 8.05 4.99 0.00 2.66 2.56 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 *106 G 8.15 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 0.00 0.00 0.00 107 D 7.90 4.55 0.00 2.86 2.88 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 0.00 108 V 7.92 3.84 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 0.97 0.00 0.00 0.88 0.00 0.00 109 Q 8.11 3.99 0.00 2.29 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.59 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 110 H 9.28 4.11 0.00 3.30 3.40 0.00 5.64 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 0.00 111 F 9.45 3.63 0.00 2.95 3.12 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 0.00 112 A 9.21 4.25 1.50 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 0.00 0.00 113 D 8.37 4.40 0.00 2.90 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 D 7.84 4.28 0.00 2.59 2.55 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 0.00 115 V 7.29 3.40 2.15 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 0.38 0.00 0.00 0.59 0.00 0.00 116 I 8.19 3.76 1.92 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 1.49 0.96 0.92 0.00 0.00 117 A 9.26 3.98 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 0.00 118 Q 7.79 3.44 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.54 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 119 R 6.77 3.86 0.00 1.85 1.70 0.00 3.21 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.26 0.00 120 G 8.85 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 0.00 121 V 7.00 4.24 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 0.59 0.00 0.00 0.74 0.00 0.00 122 R 8.43 4.37 0.00 2.02 1.76 0.00 3.41 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 123 H 8.65 4.02 0.00 3.38 3.44 0.00 5.74 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 0.00 124 G 7.82 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 0.00 125 H 9.50 5.04 0.00 3.21 3.13 0.00 5.53 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.00 5.12 0.00 1.67 1.45 0.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 8.73 4.71 0.00 2.32 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.55 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 128 C 8.71 5.05 0.00 2.90 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 L 9.12 4.95 0.00 1.69 1.61 0.93 0.92 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 0.00 130 P 0.00 4.73 0.00 2.07 2.10 0.00 3.87 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 2.02 2.02 0.00 131 K 8.32 4.31 0.00 1.58 1.61 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.36 1.26 7.81 * Residues marked with a * may have inaccurate shift predictions.