NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 R 4.2220 8.0976 119.6841 55.4518 31.0729 175.8678 10 P 3.9835 0.0000 0.0000 64.0958 31.5045 176.5831 11 H 4.0751 8.8226 115.7556 58.4446 28.3880 178.2981 12 E 2.9056 6.6092 119.3322 58.2125 29.1812 178.6646 13 R 4.2296 7.5122 116.8774 56.4991 30.7919 176.7058 14 L 4.2778 7.6769 120.8703 54.2773 42.5810 177.3213 15 D 4.4387 9.1953 123.7755 57.7514 40.8216 178.9007 16 A 4.1071 8.1246 120.4465 54.9366 18.2536 179.4211 17 W 4.0392 8.1372 126.2590 60.6013 31.0083 178.3082 18 R 3.7732 8.4433 118.0858 59.5907 29.6046 178.9570 19 D 4.3936 8.6414 119.0412 57.0665 40.7344 178.9764 20 S 4.1440 7.7401 114.6411 61.3426 63.2207 176.4748 21 M 3.7017 7.7112 122.5338 57.9612 31.5907 178.1742 22 E 3.8337 7.9534 119.3922 59.1363 29.7712 178.5052 23 L 3.8916 7.7228 120.2904 58.2503 42.1238 179.0966 24 V 3.6359 7.7175 118.0303 66.0260 31.4818 177.5128 25 E 3.9270 8.2178 118.9624 59.6274 29.4112 178.6874 26 M 4.0841 7.9603 118.6448 58.3333 31.9490 178.7795 27 I 3.6070 7.8706 119.8238 64.7363 37.1324 177.9118 28 Y 3.9645 7.7380 117.3151 60.6274 37.7653 178.9776 29 R 4.1068 8.1035 118.7176 58.8062 30.3183 178.8155 30 L 4.0629 8.2339 121.0215 58.2771 42.2711 178.6801 31 T 2.9048 7.9305 108.1620 62.7130 68.4749 176.2046 32 E 4.0002 7.5486 120.6458 59.3371 29.6193 178.0717 33 V 4.1798 7.2538 108.1532 61.0779 31.8321 176.2984 34 F 4.2968 7.6145 117.9551 56.4271 39.5901 173.5446 35 P 4.3379 0.0000 0.0000 62.8036 31.6749 177.6104 36 D 4.3717 8.4528 120.1261 56.6725 40.6133 178.5495 37 Q 3.9154 8.0674 119.4031 58.4696 29.1090 176.9224 38 E 4.3954 7.5734 117.3743 55.8277 30.1979 177.1650 39 R 3.6684 7.1549 118.2690 59.7399 29.7744 177.1735 40 Y 4.8762 7.1482 112.2873 55.7081 39.0111 176.0944 41 G 3.8562 8.5920 108.7113 44.8148 0.0000 175.7113 42 L 4.0569 6.8306 127.7807 58.3244 42.5484 176.9746 43 T 3.5513 7.9159 109.0057 64.7706 68.7708 176.2477 44 A 3.9615 7.5806 122.5716 54.7602 18.3456 179.7232 45 Q 3.9404 8.2304 116.7758 59.0312 28.8483 178.6863 46 L 4.1838 8.5309 122.0202 57.4243 41.6541 179.9110 47 R 3.6715 7.7487 117.9105 58.8900 29.5630 179.1399 48 R 3.8955 8.0207 118.5283 59.1619 29.8822 178.3026 49 A 4.0116 7.8176 119.3684 55.1071 18.8226 179.2336 50 A 4.0648 8.0152 119.0916 55.4976 18.2435 180.0136 51 V 3.6356 7.8649 116.6718 66.2703 31.4488 178.1201 52 S 4.2015 7.8313 112.5731 61.4307 62.2891 175.3580 53 I 3.7623 7.8066 122.8814 63.7412 36.7787 176.2460 54 P 4.3840 0.0000 0.0000 66.2365 31.2186 178.3835 55 S 4.1829 7.8651 114.5822 61.6866 62.7195 176.7139 56 N 4.3534 8.2486 118.7348 56.2477 38.3847 177.2814 57 I 3.8183 7.7537 120.7670 64.7027 37.0859 178.0835 58 A 3.7201 8.2978 120.0375 55.2563 18.3128 179.1869 59 E 3.7390 8.0492 117.0734 59.0719 29.4542 179.8109 60 G 3.6615 7.9457 105.7097 47.7419 0.0000 175.2018 61 A 3.2871 7.2996 118.7815 51.9359 18.1047 177.9923 62 A 4.3866 6.9867 118.8435 51.3838 19.7937 177.9193 63 R 4.3694 7.6371 116.8629 56.9272 30.2052 176.4818 *68 D 4.6522 8.9044 125.7367 55.4408 42.6662 176.3171 69 Y 4.4432 8.1575 118.9291 60.9718 38.6837 177.9592 70 S 4.1015 8.1930 115.5994 61.6062 62.9804 176.3373 71 R 3.8251 8.0430 120.8027 59.6527 29.7648 178.3698 72 F 4.3377 7.8450 116.2316 60.6473 38.8790 177.7094 73 L 4.1818 8.1377 118.5211 57.5650 41.3718 179.3507 74 S 4.1047 8.4255 113.5818 61.4687 62.3301 176.3031 75 I 3.7191 7.8622 122.2146 64.3924 36.8592 178.2142 76 A 4.0812 8.0890 121.5698 55.3195 18.0767 179.7202 77 R 4.0803 8.4225 117.3735 59.3043 30.1201 179.0010 78 G 3.6502 8.2427 105.9127 47.8843 0.0000 175.9707 79 S 4.2065 8.2739 117.5851 61.0006 62.7684 176.4194 80 L 3.9855 7.9967 123.2374 58.4187 41.7959 179.2884 81 S 4.1573 7.9113 115.0439 61.5305 62.7185 176.2899 82 E 3.9131 8.3565 122.0234 59.0809 29.3993 178.5828 83 L 3.9178 8.3100 120.7266 58.3504 42.3571 178.3589 84 D 4.4189 8.5244 118.3152 57.7748 41.1155 178.4603 85 T 3.9070 8.1882 116.3485 66.7823 68.3053 176.7790 86 Q 4.1118 8.2974 119.9577 58.5395 28.6656 178.8062 87 V 3.7643 8.3876 120.0857 66.0984 31.5008 178.0977 88 Q 3.9993 8.0371 117.4634 58.8993 28.4148 178.8588 89 I 3.6306 7.8052 120.5666 64.1839 37.1582 177.9869 90 A 3.9421 8.0949 121.4165 55.2785 18.3025 179.4321 91 A 3.9570 7.9941 120.2204 55.0181 18.3047 180.2258 92 R 3.8634 8.0141 115.2126 58.9165 30.1842 178.4906 93 L 3.9972 7.6711 116.6737 54.4933 41.7086 177.6467 94 G 3.7691 7.4355 106.9142 46.1271 0.0000 174.2298 95 Y 4.4329 7.3114 117.1909 58.3529 38.0172 175.9099 96 S 4.8126 7.5944 114.6006 56.0331 66.1860 173.2540 97 R 4.3132 8.7133 119.7256 55.7644 30.6614 177.7155 98 S 3.9003 8.1419 116.4204 61.3256 63.4897 176.2995 99 E 3.9596 8.3488 122.0536 59.0229 29.0618 178.7246 100 D 4.4063 8.3607 119.2472 56.5881 41.1273 178.1509 101 D 4.3572 8.0673 118.1542 57.5288 41.2145 178.3206 102 Q 3.9896 8.7202 118.7015 59.0392 28.8276 178.6057 103 S 4.1226 7.7753 116.3487 61.8426 62.8458 177.2099 104 V 3.6011 7.7571 120.4212 65.9111 31.3118 178.1145 105 R 3.9200 8.0428 117.8234 59.4691 29.8806 179.2065 106 R 3.9253 8.1187 117.6548 59.3905 30.0121 178.9229 107 Q 3.9593 8.0227 119.1004 59.1056 28.9263 178.4422 108 V 3.6212 8.2159 119.7233 66.1345 31.5810 177.7853 109 D 4.3766 8.2610 118.6082 57.1285 40.6632 178.3268 110 L 3.9586 8.2622 121.2022 58.3733 42.1539 179.1279 111 V 3.6171 8.1371 118.3602 65.9886 31.4209 177.5905 112 F 4.0508 8.5965 120.2378 61.2620 39.2454 176.9781 113 A 3.9907 8.2367 120.1991 55.3120 18.2016 179.8743 114 K 3.9743 8.1188 116.9895 59.3130 31.9722 179.4239 115 L 4.0118 7.9877 121.0844 58.0244 42.0273 178.9942 116 T 3.7233 7.7121 109.6559 64.4638 68.6766 176.6404 117 A 4.0289 7.9774 123.5814 54.6933 18.4279 179.4436 118 L 3.8806 7.6183 118.5973 58.4239 42.2214 178.9313 119 M 3.9347 8.2020 118.9941 58.5856 31.7853 178.5311 120 N 4.2956 8.7231 116.5835 56.2169 38.7965 177.2530 121 A 4.0354 7.7715 122.0104 54.5605 18.2743 179.7370 122 L 3.8755 7.4623 116.9333 57.9771 41.7659 179.4727 123 R 4.0331 7.7063 117.0375 59.1620 30.0142 178.9542 124 R 4.0093 7.5152 117.2088 57.0942 30.2149 176.8058 125 R 4.3051 7.6768 121.4402 56.3000 30.5811 175.6163 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 9 R 8.10 4.22 0.00 1.66 1.54 0.00 2.99 0.00 0.00 3.39 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 10 P 0.00 3.98 0.00 2.27 2.22 0.00 3.64 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 2.04 1.99 0.00 11 H 8.82 4.08 0.00 3.10 3.39 0.00 5.46 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 12 E 6.61 2.91 0.00 1.82 1.68 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 1.47 1.47 0.00 13 R 7.51 4.23 0.00 1.93 1.97 0.00 3.14 0.00 0.00 3.19 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 14 L 7.68 4.28 0.00 1.96 1.72 1.06 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 15 D 9.20 4.44 0.00 2.80 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 16 A 8.12 4.11 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 17 W 8.14 4.04 0.00 3.48 3.53 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 18 R 8.44 3.77 0.00 2.13 2.01 0.00 3.45 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.13 0.00 19 D 8.64 4.39 0.00 2.69 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 20 S 7.74 4.14 0.00 4.00 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 0.00 21 M 7.71 3.70 0.00 1.49 1.56 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.17 0.00 22 E 7.95 3.83 0.00 1.98 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 2.28 2.29 0.00 23 L 7.72 3.89 0.00 1.87 1.85 0.92 0.95 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 24 V 7.72 3.64 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 1.09 0.00 0.00 0.97 0.00 0.00 25 E 8.22 3.93 0.00 2.02 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 2.29 2.29 0.00 26 M 7.96 4.08 0.00 2.13 2.25 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 2.82 2.58 0.00 27 I 7.87 3.61 2.01 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 1.70 0.84 0.71 0.00 0.00 28 Y 7.74 3.96 0.00 3.01 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 29 R 8.10 4.11 0.00 1.90 1.98 0.00 3.13 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 30 L 8.23 4.06 0.00 1.91 1.75 0.97 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 31 T 7.93 2.90 3.65 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 0.53 0.00 0.00 32 E 7.55 4.00 0.00 2.20 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 2.34 2.42 0.00 33 V 7.25 4.18 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 0.71 0.00 0.00 1.08 0.00 0.00 34 F 7.61 4.30 0.00 3.00 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 35 P 0.00 4.34 0.00 1.89 1.82 0.00 2.63 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.81 0.00 36 D 8.45 4.37 0.00 2.64 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 37 Q 8.07 3.92 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.86 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 38 E 7.57 4.40 0.00 1.88 1.87 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 2.13 2.45 0.00 39 R 7.15 3.67 0.00 1.01 0.90 0.00 3.02 0.00 0.00 2.96 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.45 0.00 40 Y 7.15 4.88 0.00 2.97 2.93 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 41 G 8.59 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 42 L 6.83 4.06 0.00 2.10 1.94 1.28 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.92 3.55 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 1.29 0.00 0.00 44 A 7.58 3.96 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 45 Q 8.23 3.94 0.00 2.33 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 46 L 8.53 4.18 0.00 1.63 1.58 0.90 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.75 3.67 0.00 1.67 1.56 0.00 2.77 0.00 0.00 2.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.30 0.00 48 R 8.02 3.90 0.00 1.96 1.92 0.00 3.12 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 1.64 1.67 0.00 49 A 7.82 4.01 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 50 A 8.02 4.06 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 51 V 7.86 3.64 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 1.05 0.00 0.00 1.14 0.00 0.00 52 S 7.83 4.20 0.00 3.97 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 53 I 7.81 3.76 1.97 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 1.80 1.17 0.95 0.00 0.00 54 P 0.00 4.38 0.00 2.30 1.94 0.00 3.95 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.93 0.00 55 S 7.87 4.18 0.00 4.11 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 56 N 8.25 4.35 0.00 3.00 3.25 0.00 0.00 7.06 7.30 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 57 I 7.75 3.82 2.26 0.00 0.00 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 1.60 1.13 1.14 0.00 0.00 58 A 8.30 3.72 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 59 E 8.05 3.74 0.00 1.59 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 2.01 2.18 0.00 60 G 7.95 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 61 A 7.30 3.29 1.15 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 0.00 0.00 62 A 6.99 4.39 1.13 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 63 R 7.64 4.37 0.00 1.86 1.09 0.00 3.49 0.00 0.00 3.15 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.98 0.00 *68 D 8.90 4.65 0.00 2.82 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 69 Y 8.16 4.44 0.00 3.06 2.86 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 70 S 8.19 4.10 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 71 R 8.04 3.83 0.00 1.78 1.85 0.00 3.04 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.62 0.00 72 F 7.84 4.34 0.00 3.47 3.31 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.14 4.18 0.00 1.83 1.75 0.72 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 74 S 8.43 4.10 0.00 4.01 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 75 I 7.86 3.72 2.14 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 1.46 0.82 1.03 0.00 0.00 76 A 8.09 4.08 1.47 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 0.00 0.00 77 R 8.42 4.08 0.00 2.04 1.98 0.00 3.19 0.00 0.00 3.47 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.57 0.00 78 G 8.24 3.65 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 0.00 0.00 0.00 79 S 8.27 4.21 0.00 4.10 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 80 L 8.00 3.99 0.00 2.05 1.91 1.18 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 81 S 7.91 4.16 0.00 4.06 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 82 E 8.36 3.91 0.00 2.06 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 0.00 2.32 2.34 0.00 83 L 8.31 3.92 0.00 1.96 1.81 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 84 D 8.52 4.42 0.00 2.79 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 85 T 8.19 3.91 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 1.22 0.00 0.00 86 Q 8.30 4.11 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 87 V 8.39 3.76 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 1.07 0.00 0.00 0.97 0.00 0.00 88 Q 8.04 4.00 0.00 2.35 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.64 0.00 89 I 7.81 3.63 2.04 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.82 0.91 0.00 0.00 90 A 8.09 3.94 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.99 3.96 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 92 R 8.01 3.86 0.00 1.82 1.92 0.00 3.11 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 93 L 7.67 4.00 0.00 0.58 0.46 0.80 1.06 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 94 G 7.44 3.77 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 0.00 0.00 0.00 95 Y 7.31 4.43 0.00 2.21 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 96 S 7.59 4.81 0.00 4.03 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 0.00 97 R 8.71 4.31 0.00 2.02 2.10 0.00 3.07 0.00 0.00 3.41 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 98 S 8.14 3.90 0.00 4.08 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 0.00 99 E 8.35 3.96 0.00 2.22 2.29 0.00 0.00 0.00 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 2.44 0.00 100 D 8.36 4.41 0.00 2.88 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 0.00 101 D 8.07 4.36 0.00 2.80 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 0.00 102 Q 8.72 3.99 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.52 0.00 0.00 0.00 0.00 0.00 2.57 2.55 0.00 103 S 7.78 4.12 0.00 3.95 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 0.00 104 V 7.76 3.60 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 1.12 0.00 0.00 0.94 0.00 0.00 105 R 8.04 3.92 0.00 2.03 1.97 0.00 3.34 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.84 0.00 106 R 8.12 3.93 0.00 1.86 1.99 0.00 3.14 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 107 Q 8.02 3.96 0.00 2.29 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 108 V 8.22 3.62 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 1.07 0.00 0.00 0.97 0.00 0.00 109 D 8.26 4.38 0.00 2.93 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 0.00 110 L 8.26 3.96 0.00 1.76 1.87 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 111 V 8.14 3.62 2.14 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 0.97 0.00 0.00 1.00 0.00 0.00 112 F 8.60 4.05 0.00 3.28 3.24 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 0.00 113 A 8.24 3.99 1.47 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 0.00 0.00 114 K 8.12 3.97 0.00 1.81 1.89 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.71 1.83 7.81 115 L 7.99 4.01 0.00 1.83 1.78 0.94 0.55 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 0.00 116 T 7.71 3.72 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 0.34 0.00 0.00 117 A 7.98 4.03 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.62 3.88 0.00 1.81 1.85 0.88 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 119 M 8.20 3.93 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.53 0.00 120 N 8.72 4.30 0.00 2.67 2.83 0.00 0.00 6.97 7.48 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 0.00 121 A 7.77 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 0.00 122 L 7.46 3.88 0.00 1.63 1.53 0.07 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 123 R 7.71 4.03 0.00 1.76 1.97 0.00 3.12 0.00 0.00 3.33 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 124 R 7.52 4.01 0.00 1.71 1.97 0.00 3.15 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 125 R 7.68 4.31 0.00 1.94 2.18 0.00 3.19 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.