NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 5.0470 8.2300 117.6171 52.2871 38.9920 174.7687 2 L 4.0458 8.5395 120.5707 57.6613 41.6567 173.8804 3 V 3.7640 7.7902 118.5861 66.0898 32.0857 177.0610 4 Q 4.2154 8.5154 116.3855 57.8582 28.6545 177.9233 5 F 4.4037 8.1281 123.9267 61.7906 39.5430 177.0256 6 S 3.9020 8.1301 114.5226 61.7455 62.4763 176.5051 7 Y 3.8757 7.9036 119.3898 61.0409 37.7091 178.3177 8 L 3.8839 7.8386 119.8700 57.5459 41.6150 179.8202 9 I 3.3596 7.5048 119.8557 64.5259 37.0598 178.5921 10 Q 4.7562 7.8667 120.0350 58.3290 28.4931 178.0392 11 C 4.1867 8.2843 119.7508 59.6161 43.4826 175.5206 12 A 3.5471 7.4370 121.3437 54.1413 18.0508 178.2952 13 N 4.6131 8.0330 113.4335 51.9934 37.6967 174.9256 14 H 4.0075 8.1508 115.9410 57.4143 27.4905 174.7319 15 G 4.1687 7.9506 101.9319 47.0611 0.0000 174.7806 16 R 4.3332 7.9665 116.0334 56.5583 31.8985 177.8673 17 R 4.3687 7.5120 116.3451 53.3148 33.0781 172.8062 18 P 4.3343 0.0000 0.0000 62.7209 32.2359 177.5672 19 T 4.1031 8.4702 117.8175 66.7710 68.8794 176.8470 20 R 4.0301 8.0528 121.1665 59.4889 30.2818 177.8988 21 H 4.2178 7.8192 114.4598 58.1735 28.5818 175.4921 22 Y 4.6223 7.8013 114.7803 58.1992 38.3067 176.1435 23 M 4.4868 8.2275 119.7030 56.2782 33.3041 175.6264 24 D 4.9587 7.8123 118.0890 52.9939 41.7519 173.1520 25 Y 4.8793 8.2770 121.8786 56.6630 42.8634 176.2130 26 G 3.8211 7.8681 114.1607 46.7342 0.0000 172.2972 27 C 4.4364 8.8775 113.6861 59.1176 40.6094 174.5439 28 Y 4.3600 8.4788 114.2422 57.4768 39.9863 174.8743 29 C 4.5620 8.6011 118.3704 59.5699 40.0098 174.3494 30 G 4.1649 8.7444 116.3204 47.0490 0.0000 171.8012 31 W 3.3434 8.1239 131.1337 57.5046 29.1591 173.0679 32 G 4.1806 8.2280 111.9708 46.4535 0.0000 174.3536 33 G 3.6963 7.2143 107.0332 45.2580 0.0000 173.2340 34 S 4.2870 6.5114 109.4961 58.2454 65.9846 176.5693 35 G 3.8645 8.7895 115.4347 45.0094 0.0000 172.0923 36 T 4.4155 8.1819 115.0477 61.5263 69.3728 173.3845 37 P 4.7075 0.0000 0.0000 63.1675 31.6861 177.0794 38 V 3.8208 8.7058 116.7560 63.3672 32.0347 175.7357 39 D 4.7914 7.5855 117.3922 51.4228 45.8556 175.2474 40 E 3.9072 8.6733 121.4265 59.3649 29.5790 178.3081 41 L 4.0464 8.3674 120.3649 58.2431 42.1817 178.4123 42 D 4.5390 8.1414 117.5151 57.1634 41.2938 178.2192 43 R 3.9091 8.0489 118.8367 58.9146 29.9677 178.2391 44 C 4.3586 8.0955 116.4276 60.4340 38.4000 175.5637 45 C 4.4134 8.2347 118.0662 59.5100 39.7744 176.2001 46 K 3.6067 7.8530 121.2626 59.4862 31.7111 178.8203 47 I 3.5724 7.5863 120.0648 64.7667 36.9956 177.9502 48 H 3.9423 8.3338 118.9863 59.1231 29.5110 176.8806 49 D 4.0327 7.9071 119.9752 57.2983 41.0269 177.9633 50 D 4.3314 8.3102 119.6802 57.0589 40.6189 177.9277 51 C 4.4836 8.1625 119.4912 59.9752 39.8503 175.2691 52 Y 4.1751 7.9972 118.2798 61.1033 37.4217 178.6222 53 S 4.2392 7.9279 116.5770 61.6169 62.6620 176.3619 54 D 4.3973 8.0189 120.3478 57.0021 40.7844 178.3494 55 A 3.7492 8.0032 121.6676 55.1135 18.2446 179.5820 56 E 4.0134 8.2049 117.0887 59.3113 29.5494 179.2915 57 K 4.0363 7.9808 117.3468 58.2273 31.9811 178.5782 *59 K 4.5028 7.2656 116.6405 55.6575 33.6128 176.4948 60 G 3.9171 7.9261 107.9622 45.0956 0.0000 173.0731 61 C 4.2416 8.1968 118.8609 55.9362 38.1592 172.7612 *67 S 4.7451 8.3672 117.9982 57.5406 62.1869 172.4318 68 P 4.1332 0.0000 0.0000 64.7004 31.4989 178.2540 69 K 4.0699 7.9860 119.6754 59.6193 32.2835 178.2541 70 M 4.1963 7.4964 115.5110 56.2312 32.2924 176.6691 71 S 4.0568 7.9341 115.1413 58.5516 62.2927 173.9557 72 A 4.2337 8.4594 130.2249 50.7424 18.6032 175.6626 73 Y 4.7388 7.3838 120.3304 56.2661 40.7770 173.9827 74 D 5.2447 8.7619 119.5958 52.8715 43.0451 174.7110 75 Y 5.7116 8.3625 122.6069 56.0447 41.4113 173.5242 76 Y 4.7288 8.9387 118.2074 55.4126 41.4877 173.6698 77 C 4.7018 9.2574 124.2493 56.0585 42.2747 173.1558 78 G 4.1781 8.6037 117.2411 44.3569 0.0000 172.8145 79 E 4.2215 8.8197 117.7445 59.2241 29.5926 178.4694 80 N 4.6121 8.5549 115.2961 54.4927 39.5288 175.5554 81 G 3.6206 6.8955 102.9467 43.7607 0.0000 170.3711 82 P 4.7342 0.0000 0.0000 62.9078 32.3442 175.9461 83 Y 4.7703 8.3387 119.5249 56.6626 42.3316 173.5917 84 C 5.2897 9.0645 120.9830 56.3344 41.4369 173.7283 85 R 4.4855 8.7606 120.4759 56.1571 31.3961 176.5072 86 N 4.6725 8.2873 116.8461 53.4281 39.4446 173.9645 87 I 4.5134 8.2317 120.6126 63.1508 40.1521 177.2326 88 K 4.0930 8.1893 117.5533 58.6893 32.3028 177.9982 89 K 4.3738 7.8193 119.6350 53.9830 31.2463 176.9305 90 K 3.9324 8.3881 124.2786 60.3972 32.3865 179.3260 91 C 4.3216 8.1392 117.5366 59.4916 34.6940 175.9694 92 L 4.0283 7.9968 120.0126 57.7183 41.1941 179.4387 93 R 3.9437 8.1105 118.7337 58.9183 30.1404 178.1713 94 F 3.9493 8.5241 120.8368 61.4301 39.5222 177.3466 95 V 3.6217 8.3323 118.2576 65.8422 31.1731 177.0636 96 C 2.8708 7.6095 117.8588 59.5003 38.1352 175.4972 97 D 4.0243 7.8833 120.0649 57.1123 40.2342 178.3270 98 C 4.0844 7.5487 116.8787 60.1738 37.8466 175.8598 99 D 3.7947 7.7979 120.1908 56.9306 40.3397 179.0430 100 V 3.4979 7.9858 119.4713 65.5916 31.5345 177.7928 101 E 3.9056 7.9999 118.6890 59.1578 29.4474 178.6347 102 A 3.6086 7.7094 120.5753 54.7721 17.8899 179.2767 103 A 3.3888 7.5752 119.2069 55.4385 18.5287 180.0366 104 F 4.1885 7.9649 115.9633 60.5500 38.8222 177.2502 105 C 4.3828 8.1724 118.5210 59.6406 43.2043 175.6314 106 F 4.2277 8.1370 118.6492 60.3717 38.4341 177.2396 107 A 4.2340 7.5955 119.3601 54.9768 18.3140 179.4969 108 K 4.1250 7.9523 115.5333 58.0919 32.6308 178.1088 109 A 4.7738 8.0402 121.8046 50.5690 18.9044 175.4217 110 P 4.3599 0.0000 0.0000 62.8665 32.0032 175.1461 111 Y 4.3187 8.5587 122.9315 56.0199 39.6733 174.2716 112 N 4.8575 8.8372 126.0717 51.7902 39.5828 176.2177 113 N 4.4854 8.9119 121.2180 56.1762 38.8712 176.4804 114 A 4.3028 7.9741 118.3706 53.2680 18.8945 177.1671 115 N 4.4898 7.9047 112.9976 52.1902 39.3618 174.0803 116 W 4.6144 7.7282 129.8108 57.2997 31.6023 175.3885 117 N 3.6096 7.9225 124.7606 54.2852 36.8793 173.9310 118 I 3.8150 7.2137 109.3155 60.1060 39.0131 175.7224 119 D 4.5040 8.2588 120.5518 53.4900 41.3600 176.8044 120 T 3.9209 8.2564 119.0427 63.8256 68.6723 176.3549 121 K 3.8604 7.7893 122.1326 59.5304 32.5377 178.1142 122 K 4.1203 7.8833 117.8129 58.2879 32.2210 177.9097 123 R 4.4476 8.1548 117.1070 56.1007 32.8585 176.1931 124 C 4.8716 7.7793 116.3413 55.4477 39.4039 173.8701 125 Q 4.1141 7.5376 121.4114 56.0489 29.3629 175.6516 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 N 8.23 5.05 0.00 3.01 3.19 0.00 0.00 5.75 5.79 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 2 L 8.54 4.05 0.00 2.04 1.86 1.19 0.61 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 3 V 7.79 3.76 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 1.22 0.00 0.00 1.02 0.00 0.00 4 Q 8.52 4.22 0.00 1.87 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.59 0.00 0.00 0.00 0.00 0.00 2.48 1.85 0.00 5 F 8.13 4.40 0.00 3.12 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.13 3.90 0.00 4.15 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 7 Y 7.90 3.88 0.00 3.19 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 7.84 3.88 0.00 1.83 1.56 0.94 0.53 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 9 I 7.50 3.36 1.77 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 0.91 0.33 0.72 0.00 0.00 10 Q 7.87 4.76 0.00 1.95 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.19 0.00 11 C 8.28 4.19 0.00 3.10 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 A 7.44 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.03 4.61 0.00 3.02 3.00 0.00 0.00 7.06 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 14 H 8.15 4.01 0.00 3.40 3.38 0.00 6.00 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 15 G 7.95 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 16 R 7.97 4.33 0.00 1.88 1.96 0.00 3.12 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.77 0.00 17 R 7.51 4.37 0.00 1.54 1.70 0.00 2.60 0.00 0.00 2.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.11 0.00 18 P 0.00 4.33 0.00 1.93 1.82 0.00 2.90 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.93 0.00 19 T 8.47 4.10 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 1.19 0.00 0.00 20 R 8.05 4.03 0.00 1.89 1.98 0.00 3.29 0.00 0.00 3.40 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.76 0.00 21 H 7.82 4.22 0.00 2.60 2.62 0.00 5.88 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 7.80 4.62 0.00 3.01 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 23 M 8.23 4.49 0.00 2.20 2.33 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.95 0.00 24 D 7.81 4.96 0.00 2.68 2.38 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 25 Y 8.28 4.88 0.00 3.13 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 26 G 7.87 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 27 C 8.88 4.44 0.00 3.36 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 28 Y 8.48 4.36 0.00 3.21 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 C 8.60 4.56 0.00 3.41 3.47 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 30 G 8.74 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 W 8.12 3.34 0.00 3.46 3.11 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 32 G 8.23 4.18 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 0.00 33 G 7.21 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 0.00 0.00 0.00 34 S 6.51 4.29 0.00 3.90 3.55 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 35 G 8.79 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 36 T 8.18 4.42 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 1.24 0.00 0.00 37 P 0.00 4.71 0.00 2.00 1.96 0.00 3.68 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.74 0.00 38 V 8.71 3.82 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 0.60 0.00 0.00 0.91 0.00 0.00 39 D 7.59 4.79 0.00 2.74 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 40 E 8.67 3.91 0.00 2.11 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 2.43 2.40 0.00 41 L 8.37 4.05 0.00 1.92 1.83 0.67 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.14 4.54 0.00 3.01 2.90 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 0.00 0.00 0.00 43 R 8.05 3.91 0.00 2.11 1.92 0.00 3.18 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.90 0.00 44 C 8.10 4.36 0.00 3.52 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 45 C 8.23 4.41 0.00 3.25 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 46 K 7.85 3.61 0.00 0.79 1.52 0.00 0.90 0.00 0.00 1.30 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.10 0.77 7.81 47 I 7.59 3.57 2.06 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 1.33 0.39 0.84 0.00 0.00 48 H 8.33 3.94 0.00 3.10 3.37 0.00 5.59 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 49 D 7.91 4.03 0.00 2.90 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 50 D 8.31 4.33 0.00 2.80 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 51 C 8.16 4.48 0.00 3.06 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 52 Y 8.00 4.18 0.00 3.13 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 53 S 7.93 4.24 0.00 4.01 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 54 D 8.02 4.40 0.00 3.11 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 55 A 8.00 3.75 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 56 E 8.20 4.01 0.00 2.22 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 2.32 2.58 0.00 57 K 7.98 4.04 0.00 1.79 1.81 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.70 7.81 *59 K 7.27 4.50 0.00 1.66 1.72 0.00 1.26 0.00 0.00 2.61 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.19 1.32 7.81 60 G 7.93 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 61 C 8.20 4.24 0.00 2.96 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 *67 S 8.37 4.75 0.00 3.86 3.79 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 68 P 0.00 4.13 0.00 0.95 0.81 0.00 3.56 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.83 0.00 69 K 7.99 4.07 0.00 1.80 1.78 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.50 7.81 70 M 7.50 4.20 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.51 0.00 71 S 7.93 4.06 0.00 3.97 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 72 A 8.46 4.23 1.21 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 0.00 0.00 73 Y 7.38 4.74 0.00 3.31 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.76 5.24 0.00 2.81 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 75 Y 8.36 5.71 0.00 3.25 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 76 Y 8.94 4.73 0.00 3.01 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 77 C 9.26 4.70 0.00 3.21 3.22 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 78 G 8.60 4.18 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 0.00 79 E 8.82 4.22 0.00 2.08 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 2.43 0.00 80 N 8.55 4.61 0.00 2.96 3.01 0.00 0.00 6.89 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 81 G 6.90 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 82 P 0.00 4.73 0.00 1.71 1.88 0.00 2.69 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.87 0.00 83 Y 8.34 4.77 0.00 2.15 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 84 C 9.06 5.29 0.00 2.90 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 85 R 8.76 4.49 0.00 1.96 2.03 0.00 3.64 0.00 0.00 3.63 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.91 0.00 86 N 8.29 4.67 0.00 2.75 2.81 0.00 0.00 6.73 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 I 8.23 4.51 1.90 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 1.45 0.77 0.93 0.00 0.00 88 K 8.19 4.09 0.00 1.77 1.88 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.48 7.81 89 K 7.82 4.37 0.00 1.84 1.80 0.00 1.74 0.00 0.00 1.91 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.51 7.81 90 K 8.39 3.93 0.00 2.03 2.13 0.00 1.41 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.65 7.81 91 C 8.14 4.32 0.00 3.02 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 L 8.00 4.03 0.00 1.94 1.89 1.00 0.95 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 93 R 8.11 3.94 0.00 2.06 2.11 0.00 3.14 0.00 0.00 3.40 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 94 F 8.52 3.95 0.00 3.25 3.13 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 95 V 8.33 3.62 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 0.92 0.00 0.00 1.03 0.00 0.00 96 C 7.61 2.87 0.00 2.60 2.94 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 97 D 7.88 4.02 0.00 2.59 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 98 C 7.55 4.08 0.00 3.17 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 99 D 7.80 3.79 0.00 2.74 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 0.00 100 V 7.99 3.50 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.86 0.00 0.00 101 E 8.00 3.91 0.00 2.30 1.80 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 2.21 2.30 0.00 102 A 7.71 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.58 3.39 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 0.00 104 F 7.96 4.19 0.00 3.24 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 0.00 105 C 8.17 4.38 0.00 3.15 3.21 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 0.00 106 F 8.14 4.23 0.00 2.71 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 0.00 107 A 7.60 4.23 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 K 7.95 4.13 0.00 1.90 1.92 0.00 1.70 0.00 0.00 1.96 0.00 0.00 3.04 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.51 1.53 7.81 109 A 8.04 4.77 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 P 0.00 4.36 0.00 2.25 2.13 0.00 4.03 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 2.04 2.00 0.00 111 Y 8.56 4.32 0.00 2.88 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 0.00 112 N 8.84 4.86 0.00 2.81 2.71 0.00 0.00 6.58 7.08 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 0.00 113 N 8.91 4.49 0.00 2.81 2.94 0.00 0.00 7.01 7.54 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 0.00 114 A 7.97 4.30 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 0.00 115 N 7.90 4.49 0.00 2.09 1.83 0.00 0.00 6.53 7.78 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 0.00 116 W 7.73 4.61 0.00 3.33 3.32 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 0.00 117 N 7.92 3.61 0.00 1.44 2.08 0.00 0.00 7.28 7.97 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 0.00 118 I 7.21 3.82 1.76 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.57 0.79 0.00 0.00 119 D 8.26 4.50 0.00 2.75 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 0.00 120 T 8.26 3.92 4.18 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 1.13 0.00 0.00 121 K 7.79 3.86 0.00 1.74 2.03 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.47 7.81 122 K 7.88 4.12 0.00 1.86 1.78 0.00 1.80 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.45 7.81 123 R 8.15 4.45 0.00 1.83 1.89 0.00 3.30 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.76 0.00 124 C 7.78 4.87 0.00 3.04 3.08 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 0.00 125 Q 7.54 4.11 0.00 1.97 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.65 0.00 0.00 0.00 0.00 0.00 2.34 2.27 0.00 * Residues marked with a * may have inaccurate shift predictions.