NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.7419 8.2133 109.7342 44.0618 0.0000 174.9725 4 S 3.8580 9.1245 120.2774 59.0110 60.0100 171.6715 5 H 4.5985 7.6730 119.9301 55.8486 28.7855 176.9403 *7 Y 4.6737 8.0887 121.6171 57.7916 40.6434 176.8074 8 L 3.8137 8.4194 119.7718 57.8527 41.4615 179.3956 9 S 4.1628 8.2219 114.0951 61.8155 62.9092 176.7262 10 K 4.1090 7.9233 118.8549 59.6779 32.1047 178.9594 11 Q 4.1329 7.7876 118.2147 58.6576 28.4474 179.2974 12 L 4.2393 8.0468 118.0162 55.1376 41.5029 178.9792 *14 F 4.6854 8.0048 121.4702 58.3513 41.1556 176.9566 15 L 3.9591 8.2138 120.2988 57.8298 41.2837 179.7295 16 F 4.4126 8.3839 119.3008 59.8304 38.8767 177.2107 17 Y 3.9420 7.9862 118.7641 60.7694 38.7231 178.0251 18 V 3.3315 8.0909 119.7006 65.7746 31.6018 178.0352 19 S 4.0451 8.1561 114.4903 61.4990 62.7819 176.7226 20 S 4.0772 7.9497 118.1222 60.8285 62.6579 176.5333 21 K 3.6919 7.5820 122.0179 59.1943 31.9057 179.1714 22 E 3.9313 8.2386 118.8208 59.3225 29.3559 179.5365 23 I 3.8097 7.9044 119.7510 64.4706 37.1815 178.2774 24 I 3.1622 7.8875 120.9019 64.2505 36.4731 178.0654 25 K 3.7711 8.1112 120.4128 59.8433 32.0736 178.8770 26 K 3.9349 7.9127 117.9810 59.4288 31.7688 179.1238 27 Y 4.2129 7.9748 117.3160 61.2919 37.8572 177.9879 28 T 3.9670 8.3843 117.1484 66.9006 68.3346 176.0388 29 N 4.2019 7.5360 116.3097 56.8154 38.4553 176.8905 30 Y 4.3297 7.4935 116.4885 60.9084 37.8581 178.2368 31 L 4.0849 8.6268 119.9397 56.9451 41.7316 179.2133 32 K 3.9717 7.9773 118.7154 59.6155 31.8260 178.4350 33 E 4.1602 7.7354 115.9694 57.9083 29.3887 177.4957 34 Y 4.5873 7.8775 115.4637 56.3210 39.5071 174.4905 35 D 4.5196 8.4417 118.3354 55.5623 40.2079 173.1604 36 L 4.9588 8.0268 115.1987 52.4875 45.5883 177.0992 37 T 4.5815 8.1145 111.8509 60.2946 72.0726 175.2657 38 Y 4.1784 8.5127 121.3657 61.5373 38.7491 178.4225 39 T 3.7925 8.1237 116.0721 66.3885 68.5863 176.8768 40 G 3.5956 8.0433 107.5880 47.6588 0.0000 175.2531 41 Y 4.0003 7.8960 121.0765 60.5220 38.9012 177.8323 42 I 3.1759 7.2877 119.5291 64.0749 36.9762 178.1690 43 V 3.6812 7.5996 118.8996 65.8938 31.0710 179.0711 44 L 3.8492 7.2989 114.0075 55.2710 41.3977 178.0432 *46 A 4.1040 7.9539 122.2207 51.5544 20.2484 177.8578 47 I 4.1695 6.9511 116.0238 59.0000 36.4225 175.2898 48 E 4.0204 8.5737 124.7629 56.1542 30.0398 177.5567 49 N 4.2174 8.5302 119.2151 54.6953 39.6015 174.6638 50 D 4.2975 8.7140 120.9926 55.2807 38.9921 173.0995 51 E 4.4816 7.7245 118.4159 54.3224 32.7315 174.5870 52 K 4.5418 8.5938 128.0102 55.0999 31.5421 174.8589 53 L 4.8523 8.6477 127.0139 52.7876 44.7739 175.2443 54 N 5.1608 8.3114 118.1653 51.0796 39.3235 175.6272 55 I 3.6187 8.5846 120.6357 64.5428 37.4186 178.2690 56 K 3.9034 7.9911 118.5261 59.4468 32.1145 179.0813 57 K 3.9115 9.6605 120.8045 59.2009 32.0639 178.6741 58 L 4.0011 7.9327 120.9185 57.9880 42.1080 179.1059 59 G 3.6461 8.4682 105.5596 46.9103 0.0000 174.9458 60 E 3.8634 7.5547 121.0785 58.4958 29.6484 178.2328 61 R 3.7446 7.5298 117.5880 58.8490 30.2152 178.0355 62 V 4.2565 7.4040 108.9220 59.8460 32.3171 175.8072 63 F 3.7136 6.9963 114.6595 58.8604 36.9711 175.5047 64 L 4.8328 7.8292 118.5360 52.4572 44.5645 177.6089 65 D 4.6019 8.4516 122.9335 52.9892 41.6867 177.2046 66 S 4.1367 8.8102 115.1139 61.7632 61.9423 176.7487 67 G 3.7038 8.1929 107.4125 47.6922 0.0000 174.7597 68 T 4.3043 8.6573 111.7249 63.2238 69.5451 176.9388 69 L 3.8959 8.0828 123.2584 58.3175 42.2588 178.6556 70 T 3.8574 8.1204 116.0449 66.6844 68.4774 174.6960 71 P 4.2951 0.0000 0.0000 65.2879 31.2891 178.4985 72 L 3.9814 7.7737 118.9793 58.2192 41.8074 179.1133 73 L 4.0153 8.2976 118.2109 57.4955 41.7962 179.3866 74 K 4.1235 7.9295 118.5437 59.1666 32.1366 179.1018 75 K 3.9040 8.1516 119.8569 59.7054 32.2357 178.6401 76 L 4.3406 8.2546 118.2308 56.4571 41.4409 179.0469 77 E 3.8989 8.1126 120.7296 58.9676 29.5064 178.5811 78 K 3.8864 7.8488 116.9085 60.0969 32.9451 178.8264 79 K 3.7280 7.6277 117.9018 56.0030 33.2431 175.9405 80 D 4.3903 7.4669 118.0000 55.6326 39.4382 172.2285 81 Y 5.0736 8.6886 117.3862 57.9649 41.4320 177.3318 82 V 5.0042 7.8513 110.1893 59.6091 36.3440 175.4184 83 V 4.2342 9.1567 115.6230 59.9511 34.2912 175.6286 84 R 4.7683 8.5415 126.4051 55.4457 28.6073 176.3836 85 T 4.0465 8.6606 115.1949 62.5075 70.2194 175.0015 *94 L 4.2533 7.6165 123.7928 54.8694 43.6874 175.4994 95 Q 4.8570 8.2172 125.3221 55.2509 30.4850 174.9499 96 I 5.1025 9.9193 124.2149 58.9034 40.9705 174.6552 97 S 4.9138 8.1820 117.8396 57.4505 66.2027 173.3555 98 L 4.8506 8.3770 120.8869 54.6584 42.6875 178.2345 99 T 4.3424 8.2987 113.6847 60.9463 71.9029 175.5317 100 E 3.9699 8.5615 119.3540 59.8643 29.4076 179.3318 101 Q 4.2911 8.1671 116.9082 58.6442 28.5403 178.5723 102 G 3.7947 8.1496 107.8760 47.8745 0.0000 175.8824 103 K 4.1987 8.5077 121.2279 58.7449 31.9348 179.0846 104 A 3.9634 7.8415 121.5376 54.9939 18.3425 179.4994 105 I 3.7136 7.7017 110.9669 63.7966 37.2600 178.1600 106 K 3.8660 7.5788 120.1631 58.8023 31.4797 179.2484 107 S 4.1813 7.8316 114.5782 60.9470 63.5217 174.5842 108 P 4.5640 0.0000 0.0000 64.9742 31.1966 178.2946 109 L 3.8152 8.1198 119.1005 57.4444 41.2916 179.0930 110 A 4.1822 7.6073 119.9103 54.9103 18.6862 179.0540 111 E 4.1245 7.9382 117.0149 58.9748 29.4923 179.2246 112 I 3.4922 7.6529 120.6311 64.1178 36.9982 178.3743 113 S 4.0633 8.1407 114.7153 61.4629 62.6683 176.4471 114 V 3.6311 7.8357 121.2838 65.7951 30.9857 178.0773 115 K 3.8660 7.3417 116.9431 59.3317 31.6228 179.5088 116 V 3.4217 7.2320 117.3689 65.9994 31.8052 177.7341 117 F 4.5573 8.4575 116.4947 59.5117 38.8645 177.4365 118 N 4.6142 7.9787 117.1683 56.0867 38.1742 176.9912 119 E 4.2015 7.7604 119.0828 59.0565 29.5536 178.6208 120 F 4.1913 7.8692 114.4101 57.0526 40.5755 174.9117 121 N 4.1228 8.1207 116.4785 54.4860 37.2936 172.5267 122 I 4.5929 7.2163 112.2225 58.7484 41.0234 176.7261 123 S 4.5036 9.0892 117.6314 57.6348 65.2555 174.9390 124 E 3.9333 8.5518 121.7757 59.2193 29.2203 178.6452 125 R 3.8581 7.8639 118.3619 59.5066 30.2954 178.1531 126 E 3.9335 8.2201 118.2190 59.2961 29.3536 179.2619 127 A 3.9292 8.1185 120.8123 55.2111 18.4175 179.6318 128 S 3.9971 8.2201 111.7268 61.5728 62.3533 176.1481 129 D 4.3279 8.4362 121.9532 57.4224 40.4938 178.7613 130 I 3.6537 7.8947 120.3572 64.3207 37.0016 178.5281 131 I 3.6636 7.9127 120.6928 64.5986 36.8571 178.2739 132 N 4.3473 8.3310 117.3110 56.2693 38.2150 177.3618 133 N 4.3902 8.4638 118.1468 56.4617 38.7215 177.5874 134 L 4.1498 8.3192 120.7531 57.6947 41.6854 179.5062 135 R 3.9431 8.3202 119.0463 59.3112 29.7419 178.1976 136 N 4.3462 7.8355 116.2799 56.5891 39.1169 176.3272 137 F 4.2856 8.4146 121.2632 61.2755 39.6751 176.7201 138 V 3.7278 8.3658 117.7001 64.9301 31.2406 178.2549 139 S 4.2454 7.7238 113.4492 61.1720 62.7306 175.5562 140 K 4.1870 7.9245 117.5348 55.0286 32.9299 176.2032 141 N 4.4343 8.7006 124.0732 54.1574 39.1853 173.8409 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 3 G 8.21 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 0.00 0.00 0.00 4 S 9.12 3.86 0.00 4.23 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 5 H 7.67 4.60 0.00 3.40 3.34 0.00 5.66 0.00 0.00 0.00 0.00 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *7 Y 8.09 4.67 0.00 3.05 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 8 L 8.42 3.81 0.00 1.76 1.71 1.01 1.26 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 9 S 8.22 4.16 0.00 3.93 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 10 K 7.92 4.11 0.00 1.78 1.82 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.56 7.81 11 Q 7.79 4.13 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.09 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 12 L 8.05 4.24 0.00 1.92 1.90 1.03 0.85 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 *14 F 8.00 4.69 0.00 3.11 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 15 L 8.21 3.96 0.00 1.68 1.51 0.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 16 F 8.38 4.41 0.00 3.22 2.98 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 17 Y 7.99 3.94 0.00 3.06 3.05 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 0.00 0.00 0.00 18 V 8.09 3.33 1.66 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 0.95 0.00 0.00 0.08 0.00 0.00 19 S 8.16 4.05 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 20 S 7.95 4.08 0.00 4.00 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 21 K 7.58 3.69 0.00 1.70 1.69 0.00 1.47 0.00 0.00 1.38 0.00 0.00 2.46 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.72 0.85 7.81 22 E 8.24 3.93 0.00 2.20 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 2.31 2.60 0.00 23 I 7.90 3.81 1.98 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 1.15 0.58 1.07 0.00 0.00 24 I 7.89 3.16 1.79 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.22 0.27 0.69 0.00 0.00 25 K 8.11 3.77 0.00 1.82 1.92 0.00 1.57 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.44 7.81 26 K 7.91 3.93 0.00 1.89 1.75 0.00 1.21 0.00 0.00 1.51 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.24 1.51 7.81 27 Y 7.97 4.21 0.00 3.27 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 28 T 8.38 3.97 4.41 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 1.23 0.00 0.00 29 N 7.54 4.20 0.00 2.52 2.51 0.00 0.00 7.11 7.34 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 30 Y 7.49 4.33 0.00 3.06 2.98 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 31 L 8.63 4.08 0.00 1.85 2.02 1.02 1.04 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 32 K 7.98 3.97 0.00 1.96 1.89 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.73 7.81 33 E 7.74 4.16 0.00 1.69 1.72 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 2.28 2.33 0.00 34 Y 7.88 4.59 0.00 3.09 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 35 D 8.44 4.52 0.00 2.86 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 36 L 8.03 4.96 0.00 1.74 1.60 0.83 1.00 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 37 T 8.11 4.58 4.34 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 1.28 0.00 0.00 38 Y 8.51 4.18 0.00 3.03 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 39 T 8.12 3.79 4.27 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 1.20 0.00 0.00 40 G 8.04 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.90 4.00 0.00 2.87 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 42 I 7.29 3.18 1.70 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.10 0.71 0.00 0.00 43 V 7.60 3.68 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 0.98 0.00 0.00 0.91 0.00 0.00 44 L 7.30 3.85 0.00 1.61 1.50 0.53 0.55 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 *46 A 7.95 4.10 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 47 I 6.95 4.17 1.81 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 1.25 0.73 0.88 0.00 0.00 48 E 8.57 4.02 0.00 2.07 1.88 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 2.32 2.38 0.00 49 N 8.53 4.22 0.00 2.69 2.75 0.00 0.00 6.91 8.06 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 50 D 8.71 4.30 0.00 2.79 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 51 E 7.72 4.48 0.00 2.04 1.74 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 2.15 2.23 0.00 52 K 8.59 4.54 0.00 1.78 1.71 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.78 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.53 1.43 7.81 53 L 8.65 4.85 0.00 1.62 1.51 0.92 0.33 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 54 N 8.31 5.16 0.00 2.82 2.91 0.00 0.00 6.34 7.66 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 55 I 8.58 3.62 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 1.62 1.54 0.90 0.00 0.00 56 K 7.99 3.90 0.00 1.99 1.81 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.48 7.81 57 K 9.66 3.91 0.00 1.71 1.86 0.00 1.60 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.39 7.81 58 L 7.93 4.00 0.00 1.79 1.79 0.86 0.97 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 59 G 8.47 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 60 E 7.55 3.86 0.00 1.93 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 2.06 2.08 0.00 61 R 7.53 3.74 0.00 1.77 1.96 0.00 3.30 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 1.58 1.59 0.00 62 V 7.40 4.26 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 0.75 0.00 0.00 0.93 0.00 0.00 63 F 7.00 3.71 0.00 3.21 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 64 L 7.83 4.83 0.00 1.60 1.56 0.92 0.87 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 65 D 8.45 4.60 0.00 2.95 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 66 S 8.81 4.14 0.00 3.90 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 67 G 8.19 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 68 T 8.66 4.30 4.27 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 1.31 0.00 0.00 69 L 8.08 3.90 0.00 1.95 1.69 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.12 3.86 4.29 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 0.00 0.00 1.21 0.00 0.00 71 P 0.00 4.30 0.00 2.17 2.11 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.14 0.00 72 L 7.77 3.98 0.00 2.04 1.79 0.92 0.43 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 73 L 8.30 4.02 0.00 1.77 1.72 0.91 0.94 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 74 K 7.93 4.12 0.00 2.01 1.86 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.70 7.81 75 K 8.15 3.90 0.00 1.97 2.06 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.53 7.81 76 L 8.25 4.34 0.00 1.78 1.82 0.95 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 77 E 8.11 3.90 0.00 2.27 2.18 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 2.30 2.35 0.00 78 K 7.85 3.89 0.00 1.92 1.91 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.55 7.81 79 K 7.63 3.73 0.00 1.59 1.43 0.00 2.04 0.00 0.00 1.85 0.00 0.00 3.26 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.59 7.81 80 D 7.47 4.39 0.00 2.82 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 81 Y 8.69 5.07 0.00 2.90 2.82 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 82 V 7.85 5.00 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 0.76 0.00 0.00 1.00 0.00 0.00 83 V 9.16 4.23 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 0.78 0.00 0.00 0.97 0.00 0.00 84 R 8.54 4.77 0.00 1.76 1.90 0.00 3.15 0.00 0.00 3.44 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 85 T 8.66 4.05 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 *94 L 7.62 4.25 0.00 1.77 1.62 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 8.22 4.86 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.51 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 96 I 9.92 5.10 1.85 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 0.90 1.84 0.90 0.00 0.00 97 S 8.18 4.91 0.00 3.85 4.05 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 0.00 0.00 0.00 98 L 8.38 4.85 0.00 1.56 1.65 1.04 0.85 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 99 T 8.30 4.34 4.27 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 1.30 0.00 0.00 100 E 8.56 3.97 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 2.41 2.32 0.00 101 Q 8.17 4.29 0.00 2.39 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.44 2.62 0.00 102 G 8.15 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 0.00 103 K 8.51 4.20 0.00 1.94 1.88 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.61 1.67 7.81 104 A 7.84 3.96 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 0.00 105 I 7.70 3.71 1.68 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.39 1.04 0.00 0.00 106 K 7.58 3.87 0.00 1.87 1.86 0.00 1.64 0.00 0.00 1.87 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.35 1.58 7.81 107 S 7.83 4.18 0.00 4.05 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 0.00 108 P 0.00 4.56 0.00 2.37 2.43 0.00 3.83 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 2.18 2.13 0.00 109 L 8.12 3.82 0.00 1.72 1.93 0.78 0.39 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 0.00 110 A 7.61 4.18 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 0.00 111 E 7.94 4.12 0.00 2.09 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 2.33 2.57 0.00 112 I 7.65 3.49 1.86 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 1.47 0.73 0.60 0.00 0.00 113 S 8.14 4.06 0.00 4.47 4.56 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 0.00 114 V 7.84 3.63 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 1.06 0.00 0.00 0.95 0.00 0.00 115 K 7.34 3.87 0.00 1.41 1.35 0.00 1.34 0.00 0.00 1.31 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.39 7.81 116 V 7.23 3.42 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 0.20 0.00 0.00 0.21 0.00 0.00 117 F 8.46 4.56 0.00 3.25 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 0.00 118 N 7.98 4.61 0.00 2.86 2.88 0.00 0.00 6.83 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 7.76 4.20 0.00 1.79 1.74 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 2.30 2.57 0.00 120 F 7.87 4.19 0.00 3.24 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 0.00 121 N 8.12 4.12 0.00 2.69 2.78 0.00 0.00 6.99 7.87 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 0.00 122 I 7.22 4.59 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 1.56 0.87 1.03 0.00 0.00 123 S 9.09 4.50 0.00 4.04 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 0.00 124 E 8.55 3.93 0.00 2.06 1.99 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 2.37 2.36 0.00 125 R 7.86 3.86 0.00 1.92 1.90 0.00 3.24 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 126 E 8.22 3.93 0.00 2.20 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 2.33 2.33 0.00 127 A 8.12 3.93 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 0.00 128 S 8.22 4.00 0.00 3.97 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 0.00 129 D 8.44 4.33 0.00 2.84 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.89 3.65 1.96 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 1.45 0.79 0.84 0.00 0.00 131 I 7.91 3.66 2.02 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 1.44 0.63 0.89 0.00 0.00 132 N 8.33 4.35 0.00 2.90 2.87 0.00 0.00 7.11 6.57 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 0.00 133 N 8.46 4.39 0.00 2.90 2.87 0.00 0.00 7.01 7.60 0.00 0.00 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 8.32 4.15 0.00 1.71 1.81 0.95 0.87 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 0.00 135 R 8.32 3.94 0.00 2.11 1.95 0.00 3.10 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 136 N 7.84 4.35 0.00 2.75 3.08 0.00 0.00 7.18 6.96 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 0.00 137 F 8.41 4.29 0.00 3.11 3.29 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 0.00 0.00 0.00 138 V 8.37 3.73 2.39 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 1.03 0.00 0.00 0.95 0.00 0.00 139 S 7.72 4.25 0.00 4.03 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 0.00 140 K 7.92 4.19 0.00 1.82 1.91 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.36 7.81 141 N 8.70 4.43 0.00 2.76 2.81 0.00 0.00 6.75 7.44 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 * Residues marked with a * may have inaccurate shift predictions.