NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7077 8.2833 119.2047 53.2393 40.5178 175.1904 3 K 3.7860 8.6212 125.0388 58.5003 32.2507 177.8251 4 K 3.8592 8.8777 120.7207 59.9820 32.3949 178.3949 5 T 3.8477 8.2453 115.6750 66.5981 68.4190 176.2122 6 Q 3.9398 8.2133 121.6618 59.3943 28.9338 178.5286 7 L 3.9725 8.0700 121.1031 57.9008 42.1232 178.5400 8 L 3.9376 8.0201 120.3441 58.3100 41.8116 178.8940 9 E 4.0076 8.1631 117.4159 59.2521 29.7670 179.2297 10 V 3.7327 7.8542 118.2412 66.2238 31.6651 178.2645 11 I 3.7555 8.1194 119.6171 64.2334 36.6825 178.2737 12 A 4.0437 8.4726 121.0528 54.3370 18.2493 177.9267 13 A 4.4209 7.3783 117.1656 51.7921 19.6181 176.9752 14 L 4.1009 7.5106 119.4298 53.8217 42.8082 175.0560 15 P 4.2604 0.0000 0.0000 63.4973 32.1477 177.7212 16 E 3.9939 9.0069 118.6357 58.9973 29.6882 176.5005 17 E 4.2831 8.1687 114.1489 57.8757 30.0016 177.6258 18 L 4.5717 8.0303 119.6276 54.5003 42.4625 178.1140 19 V 3.5943 7.5853 119.2995 66.2198 31.4534 177.4063 20 D 4.3806 8.1019 117.9199 57.7235 40.7155 178.8554 21 Q 4.0207 8.0694 117.6886 58.7365 28.7739 178.4353 22 A 4.0379 8.1685 121.9774 54.9859 18.3947 179.4470 23 L 3.9149 8.2890 119.2700 58.2961 41.9715 178.6099 24 N 4.3058 8.1360 115.9196 56.7985 38.9268 175.9136 25 Y 4.1440 7.8755 119.7198 60.9889 39.2830 178.2063 26 V 3.7976 8.1006 113.3129 64.1243 31.3273 179.1674 27 Q 4.4149 8.0941 115.8668 56.3639 27.4620 177.5627 *29 L 4.2055 7.9812 122.0526 54.8111 43.6261 179.2326 30 Q 4.0349 7.5807 116.1698 57.9772 28.7812 175.9089 31 N 4.5302 7.2872 115.2050 52.4057 39.0934 173.1488 32 P 4.4073 0.0000 0.0000 64.5000 32.5299 175.9019 33 I 4.7645 7.9925 120.6411 59.5535 38.9631 175.0972 34 Q 4.5925 9.3321 127.2463 54.2636 32.6317 173.8481 35 I 4.7968 8.3340 125.3129 59.8372 40.3109 175.1699 36 T 4.5181 8.3270 123.0587 61.0683 72.1234 171.8865 37 P 4.3939 0.0000 0.0000 63.9789 31.8352 177.0969 38 G 3.8996 8.9152 109.2640 45.7026 0.0000 173.0742 39 V 4.2828 7.7237 119.9405 62.1657 33.8130 175.3930 40 C 4.2741 9.7096 124.7973 60.9759 25.7623 174.1452 41 G 3.9133 9.0066 102.5649 46.3996 0.0000 175.4639 42 G 3.9438 8.4303 106.3872 45.2048 0.0000 174.6874 43 Q 4.3487 7.6858 117.8141 55.2207 29.6721 176.1830 44 A 4.2859 8.5710 124.1419 52.5522 19.5240 176.7098 45 R 4.8663 8.8944 117.5686 54.3915 34.1327 174.2658 46 I 4.1272 8.1948 120.9264 60.6423 38.2225 176.1273 47 R 4.1059 8.5099 127.4154 58.2568 30.1749 175.7812 48 N 4.2786 9.2796 121.3843 54.1942 36.5359 173.5936 49 T 4.6964 7.5655 106.8859 60.1662 71.6816 173.4210 50 R 4.4545 8.2535 117.9078 56.1455 30.8044 177.1433 51 I 3.9889 7.2566 121.1734 58.7271 36.9713 173.7098 52 P 4.6724 0.0000 0.0000 61.8345 32.3547 178.0268 53 V 3.4771 8.6549 122.4799 66.0765 31.2662 178.7431 54 W 4.2741 8.1624 115.9117 59.5685 27.8701 178.2411 55 T 3.0693 6.7712 110.8756 64.1426 68.1443 176.7583 56 L 4.1805 7.6311 121.4064 57.6193 41.6547 179.4658 57 V 3.7049 7.8939 117.5866 65.8581 31.4590 177.8749 58 A 3.9981 8.2575 120.7367 55.5257 18.2929 179.1479 59 Y 4.2949 8.1582 115.5956 61.2326 37.8503 178.8820 60 R 4.2512 8.2130 120.8487 59.2059 29.9931 178.6171 61 Q 4.0241 8.2518 116.6705 58.8217 28.7599 177.9883 62 Q 4.4121 8.0088 116.3863 55.9432 28.9642 176.5369 63 G 4.0304 8.1431 108.6905 45.0265 0.0000 173.7550 64 A 4.3964 8.6511 124.0150 50.2460 18.9165 176.4377 65 P 4.4992 0.0000 0.0000 62.4205 33.7487 177.0651 66 D 4.5512 8.7356 118.3783 57.4165 40.8113 179.0561 67 K 3.9135 8.1634 118.8541 60.1712 32.3432 178.6288 68 E 3.8823 8.1142 119.8987 58.7584 29.5456 178.4599 69 L 4.0880 7.8583 118.8866 58.0674 41.5711 179.6830 70 L 4.0464 7.9449 117.0413 57.6149 41.5481 179.1388 71 A 4.1285 7.5846 119.8064 54.8350 18.4216 178.8736 72 N 4.4102 8.0205 115.0381 55.0764 39.5878 174.1819 73 Y 4.6681 7.5380 119.4272 55.4237 38.7756 174.2794 74 P 4.3857 0.0000 0.0000 64.6577 31.9684 177.7773 75 G 3.7860 7.9951 105.9968 45.8263 0.0000 173.3125 76 L 4.2381 7.6755 123.0306 54.7851 42.9210 176.7708 77 T 4.5224 8.5830 116.1660 59.7292 72.4033 175.4731 78 A 3.9741 8.3398 122.2856 55.5569 18.2381 179.7064 79 E 3.9492 8.0978 116.4165 59.3812 29.4911 179.1978 80 D 4.2130 7.8683 118.9914 57.2360 40.8381 178.7663 81 L 3.1870 7.4664 119.0128 57.5983 41.6109 179.3850 82 S 4.0620 8.4232 113.0723 61.4746 62.1570 176.1461 83 A 4.0400 8.3558 123.5304 54.9091 18.0003 179.3507 84 A 3.9429 8.1004 119.7297 55.3043 18.4231 179.9291 85 W 4.8010 8.2257 117.8122 60.3858 29.1109 178.3172 86 H 4.3363 8.7017 118.3281 59.3838 29.3227 176.6857 87 Y 3.9195 8.5524 121.7755 60.7707 38.4117 177.3435 88 Y 4.4826 8.4842 119.6469 61.0725 39.0155 177.6280 89 E 3.8833 8.0891 118.1425 59.4680 29.6472 178.9816 90 Q 4.1327 7.8271 116.3024 57.0286 30.2062 175.7590 91 N 5.0228 7.7645 117.5889 51.0201 39.5584 174.1733 92 P 4.4478 0.0000 0.0000 65.9222 31.9155 177.8428 93 E 3.9424 8.1142 117.8943 59.1949 29.4925 178.7458 94 Q 3.9906 8.1077 118.8900 59.4760 29.0784 178.4812 95 I 3.8456 7.8671 120.3601 64.5990 37.1852 178.1971 96 D 4.4000 8.6339 120.0622 57.1733 40.5784 178.9391 97 R 3.7917 8.1413 119.2682 59.4452 29.9316 178.2139 98 E 3.4730 7.6696 116.8508 59.4080 29.4581 179.2496 99 I 3.6051 7.4422 118.0922 64.3081 37.2682 178.0968 100 A 4.1233 7.9072 122.8005 55.5551 18.2726 178.5598 101 Q 4.1646 8.1394 123.0603 57.4685 28.4278 177.9342 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 N 8.28 4.71 0.00 2.74 2.75 0.00 0.00 7.10 6.24 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 3 K 8.62 3.79 0.00 1.92 1.84 0.00 1.74 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.56 7.81 4 K 8.88 3.86 0.00 1.82 1.82 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.55 7.81 5 T 8.25 3.85 4.39 0.00 0.00 0.00 0.00 0.00 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 Q 8.21 3.94 0.00 2.28 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 7 L 8.07 3.97 0.00 1.81 1.80 0.94 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.02 3.94 0.00 1.81 1.80 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.16 4.01 0.00 2.12 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 0.00 2.35 2.52 0.00 10 V 7.85 3.73 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 1.03 0.00 0.00 0.98 0.00 0.00 11 I 8.12 3.76 1.94 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 1.60 0.84 0.92 0.00 0.00 12 A 8.47 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 13 A 7.38 4.42 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 14 L 7.51 4.10 0.00 1.67 1.68 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 15 P 0.00 4.26 0.00 2.21 2.05 0.00 3.66 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 16 E 9.01 3.99 0.00 1.89 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 2.32 1.89 0.00 17 E 8.17 4.28 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 18 L 8.03 4.57 0.00 1.77 1.69 0.91 0.68 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 19 V 7.59 3.59 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 1.13 0.00 0.00 0.93 0.00 0.00 20 D 8.10 4.38 0.00 2.73 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 21 Q 8.07 4.02 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 22 A 8.17 4.04 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.29 3.91 0.00 1.84 1.92 0.93 0.61 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 24 N 8.14 4.31 0.00 2.85 3.03 0.00 0.00 7.23 7.06 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 25 Y 7.88 4.14 0.00 3.08 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 26 V 8.10 3.80 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.06 0.00 0.00 27 Q 8.09 4.41 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 *29 L 7.98 4.21 0.00 1.78 1.65 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 7.58 4.03 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 31 N 7.29 4.53 0.00 2.63 2.70 0.00 0.00 7.20 7.57 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 32 P 0.00 4.41 0.00 2.05 2.17 0.00 3.61 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.08 0.00 33 I 7.99 4.76 1.83 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.82 0.57 0.00 0.00 34 Q 9.33 4.59 0.00 1.97 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.19 2.25 0.00 35 I 8.33 4.80 1.87 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.70 0.98 0.00 0.00 36 T 8.33 4.52 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 37 P 0.00 4.39 0.00 2.04 2.00 0.00 3.78 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 38 G 8.92 3.90 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 0.00 0.00 0.00 39 V 7.72 4.28 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 1.08 0.00 0.00 0.93 0.00 0.00 40 C 9.71 4.27 0.00 3.15 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 41 G 9.01 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.43 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 0.00 0.00 0.00 43 Q 7.69 4.35 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.75 0.00 0.00 0.00 0.00 0.00 2.72 2.42 0.00 44 A 8.57 4.29 0.63 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 0.00 0.00 45 R 8.89 4.87 0.00 1.82 1.89 0.00 2.90 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.51 0.00 46 I 8.19 4.13 1.68 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.15 0.78 0.00 0.00 47 R 8.51 4.11 0.00 1.75 1.79 0.00 3.31 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 48 N 9.28 4.28 0.00 2.88 2.89 0.00 0.00 6.83 7.22 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 49 T 7.57 4.70 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 1.20 0.00 0.00 50 R 8.25 4.45 0.00 2.03 1.93 0.00 3.29 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.19 0.00 51 I 7.26 3.99 1.52 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.73 0.28 0.00 0.00 52 P 0.00 4.67 0.00 1.38 1.93 0.00 3.22 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.98 0.00 53 V 8.65 3.48 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 1.22 0.00 0.00 0.68 0.00 0.00 54 W 8.16 4.27 0.00 3.52 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 55 T 6.77 3.07 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 -0.54 0.00 0.00 56 L 7.63 4.18 0.00 1.90 1.84 0.64 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 57 V 7.89 3.70 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 0.42 0.00 0.00 0.96 0.00 0.00 58 A 8.26 4.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Y 8.16 4.29 0.00 3.09 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 60 R 8.21 4.25 0.00 1.95 2.01 0.00 2.77 0.00 0.00 2.68 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.47 0.00 61 Q 8.25 4.02 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.56 0.00 62 Q 8.01 4.41 0.00 2.29 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.88 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 63 G 8.14 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 64 A 8.65 4.40 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.50 0.00 2.31 2.22 0.00 3.96 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 66 D 8.74 4.55 0.00 2.81 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.16 3.91 0.00 1.98 2.10 0.00 1.51 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.52 7.81 68 E 8.11 3.88 0.00 2.04 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 2.27 2.34 0.00 69 L 7.86 4.09 0.00 2.03 1.84 1.28 0.80 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 70 L 7.94 4.05 0.00 1.63 1.75 0.93 0.80 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 71 A 7.58 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 72 N 8.02 4.41 0.00 2.49 2.36 0.00 0.00 7.02 6.86 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 73 Y 7.54 4.67 0.00 2.91 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 74 P 0.00 4.39 0.00 2.18 2.17 0.00 3.82 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 2.00 1.96 0.00 75 G 8.00 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 0.00 0.00 0.00 76 L 7.68 4.24 0.00 1.73 1.70 0.78 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 77 T 8.58 4.52 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 1.18 0.00 0.00 78 A 8.34 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.10 3.95 0.00 1.98 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 2.38 2.38 0.00 80 D 7.87 4.21 0.00 2.79 2.54 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 81 L 7.47 3.19 0.00 1.63 1.00 0.99 0.25 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 82 S 8.42 4.06 0.00 3.87 3.90 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 83 A 8.36 4.04 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 84 A 8.10 3.94 0.97 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 0.00 0.00 85 W 8.23 4.80 0.00 3.51 3.18 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 86 H 8.70 4.34 0.00 3.34 3.59 0.00 5.79 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 8.55 3.92 0.00 3.26 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 88 Y 8.48 4.48 0.00 3.19 3.38 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 89 E 8.09 3.88 0.00 2.44 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.23 0.00 90 Q 7.83 4.13 0.00 1.73 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.38 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 91 N 7.76 5.02 0.00 2.41 2.59 0.00 0.00 6.58 8.17 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 92 P 0.00 4.45 0.00 2.17 2.01 0.00 3.63 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 2.01 1.93 0.00 93 E 8.11 3.94 0.00 2.13 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 2.40 1.94 0.00 94 Q 8.11 3.99 0.00 2.16 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.92 0.00 0.00 0.00 0.00 0.00 2.55 2.53 0.00 95 I 7.87 3.85 2.21 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.08 0.71 0.00 0.00 96 D 8.63 4.40 0.00 2.82 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 97 R 8.14 3.79 0.00 1.96 2.09 0.00 3.07 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 98 E 7.67 3.47 0.00 1.83 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 2.08 2.36 0.00 99 I 7.44 3.61 1.98 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.73 0.95 0.00 0.00 100 A 7.91 4.12 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 0.00 101 Q 8.14 4.16 0.00 2.12 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.49 0.00 0.00 0.00 0.00 0.00 2.30 2.24 0.00 * Residues marked with a * may have inaccurate shift predictions.