NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.4051 8.0433 122.6807 54.9362 42.7177 174.3172 4 I 4.5775 8.1456 125.9833 58.6419 38.5584 169.9515 5 V 4.3878 9.6633 128.5820 61.1213 34.7098 173.5401 6 N 5.0318 8.9970 125.8395 52.2223 40.2882 174.1769 7 V 4.7551 8.5875 124.6588 61.4491 33.6934 174.2559 8 I 4.8466 8.8309 130.2173 59.6861 39.6793 174.4820 9 N 5.4236 9.3972 125.5948 51.7385 40.7341 175.2858 10 G 4.2790 9.0306 115.5549 43.9849 0.0000 171.2592 11 P 4.4185 0.0000 0.0000 64.4817 32.0387 177.2686 12 N 4.5360 9.3407 117.5630 53.8012 37.5614 176.2452 13 L 4.2467 7.6066 117.6222 56.6515 41.9512 178.5602 14 G 3.6247 8.0356 106.7093 47.8232 0.0000 174.1088 15 R 4.5010 7.5220 118.2125 55.9409 30.4769 176.4376 16 L 3.9929 7.8552 119.4205 56.0404 42.1910 177.3786 17 G 4.5224 8.7820 111.7378 47.5575 0.0000 174.2133 18 R 4.4615 8.1159 119.8796 57.3409 33.0660 178.8290 19 R 4.2920 8.2765 117.4809 58.6944 30.8586 180.2628 20 E 4.6347 7.5537 115.4922 56.4875 30.5253 179.4104 *24 Y 4.2705 8.4300 116.0917 58.9052 38.2946 173.3177 25 G 4.0644 8.4169 111.1333 45.7345 0.0000 174.1620 26 G 3.8489 8.2925 115.1163 46.3008 0.0000 172.7256 27 T 4.0542 7.7938 117.0635 63.6679 68.9783 174.9462 28 T 4.9147 8.3381 118.4542 60.4594 71.4558 175.4719 29 H 4.0512 8.5807 119.8342 59.3461 29.5891 176.6166 30 D 4.3463 8.1381 120.3395 57.5789 40.6606 178.5305 31 E 4.0845 7.9350 118.6200 58.7912 29.4984 178.9724 32 L 3.7862 7.9627 120.6595 58.0602 42.1930 178.9073 33 V 3.3896 7.6832 118.0411 66.2038 31.3508 177.9014 34 A 3.9570 7.5585 118.7718 54.9913 18.1986 179.5398 35 L 3.9155 7.9803 117.5511 58.0624 41.6256 179.8915 36 I 3.7036 7.7723 119.6267 64.3596 36.9490 178.4099 37 E 3.9272 8.0472 119.3017 59.5208 29.3016 179.6804 38 R 3.8948 8.0224 118.1118 59.1825 29.9738 178.7933 39 E 3.9369 8.3105 119.0280 59.0037 29.6426 178.7312 40 A 3.9777 8.3518 120.9983 55.1325 18.4845 179.4255 41 A 4.1879 8.0963 120.7836 54.9095 18.2398 179.7546 42 E 4.0366 8.0909 115.8214 58.6420 29.5388 178.4648 43 L 4.5529 7.3684 117.1261 53.7503 42.0036 176.7353 44 G 3.8473 7.9239 106.8734 46.3010 0.0000 173.2296 45 L 4.9193 8.3700 118.6777 52.2417 46.3897 175.2703 46 K 4.7112 8.7945 120.5174 54.7069 34.8860 174.3777 47 A 5.0161 8.6664 129.1947 50.5868 20.8825 176.4464 48 V 3.9926 8.6834 123.7484 61.3438 32.6028 174.0920 49 V 4.6551 8.0084 127.7591 61.4775 32.5542 175.1047 50 R 4.6018 8.7695 126.1684 54.3765 34.5284 173.9693 51 Q 5.2688 8.6168 121.9314 54.6863 32.3122 174.1788 52 S 4.7964 9.1538 119.4429 57.2611 65.9872 174.2359 53 D 4.6267 8.9358 124.8500 55.2505 41.4885 176.6938 54 S 4.4767 7.9711 115.6177 56.7331 63.5623 173.8589 55 E 3.8267 8.6916 129.6727 59.3274 29.5756 178.3196 56 A 3.8931 7.9003 120.2851 55.3149 18.3896 179.2383 57 Q 3.4202 7.4786 117.0584 59.0004 29.0225 178.4191 58 L 3.9456 7.5384 119.9551 57.7607 41.5964 179.4221 59 L 3.8487 8.1089 119.3005 57.7163 41.6327 179.0781 60 D 4.2481 7.8619 117.8088 57.2584 41.2401 178.4112 61 W 4.5220 7.9343 119.3838 59.9199 28.9133 178.6706 62 I 3.8490 7.9470 119.8895 64.4686 36.4845 177.9212 63 H 4.2420 8.3281 117.3499 59.3212 28.5654 177.7705 64 Q 4.0359 8.1733 119.0139 58.9759 28.4710 178.8043 65 A 4.0112 8.1599 121.4880 54.9165 18.2378 179.6367 66 A 3.9472 8.3789 119.6660 55.5785 18.3085 179.7097 67 D 4.3092 8.2484 116.0746 56.9251 40.9865 178.0427 68 A 4.2506 8.2311 118.9057 51.1930 19.7076 176.5449 69 A 3.6933 7.4600 119.2540 53.3670 16.6042 176.9524 70 E 4.9021 8.1054 119.5152 54.3142 32.1674 176.0498 71 P 4.6232 0.0000 0.0000 63.0717 33.0214 175.0301 72 V 4.8567 8.4836 120.9756 61.3005 34.6929 174.1203 73 I 4.7325 9.1016 129.1733 59.7737 39.1058 174.2767 74 L 5.0626 9.0426 130.4748 53.1900 44.7941 174.5469 75 N 5.2688 9.3039 125.5314 51.2208 40.2239 174.4619 76 A 4.4531 8.6903 128.7984 51.3291 20.4814 178.0044 77 G 3.8332 7.9710 106.1001 46.5760 0.0000 178.1737 78 G 3.7526 8.6770 111.8644 47.9284 0.0000 174.8993 79 L 4.3102 7.7018 119.2932 56.7311 42.2385 179.2069 80 T 3.8776 7.7808 116.4947 66.8639 68.3539 175.3086 81 H 5.0142 7.7584 115.2160 56.2790 29.4054 175.8071 82 T 4.6108 7.8114 107.8932 60.9514 70.5657 173.0715 83 S 4.6036 8.1636 117.5933 56.5896 62.7824 174.5217 84 V 3.2518 7.9502 128.1782 65.3931 31.3605 177.4924 85 A 3.9281 7.8002 120.2749 55.0803 18.2130 179.2238 86 L 3.8862 7.9102 118.8068 58.0313 42.1731 178.9016 87 R 3.8983 7.6308 118.7598 59.8409 29.7894 178.2230 88 D 4.3714 8.1856 117.0929 57.2562 40.9232 178.4009 89 A 4.1906 8.1257 121.3289 55.4612 18.4178 179.5645 90 C 4.1378 8.4010 115.0047 62.6589 27.9319 176.0669 91 A 4.1385 7.9226 121.5330 54.6497 17.9878 179.0203 92 E 4.1249 7.7771 116.2561 57.5002 29.7951 177.4033 93 L 4.2048 7.3706 120.4206 54.6519 42.1831 176.8125 94 S 4.5019 8.6173 117.2792 59.4581 64.5617 174.7284 95 A 4.2962 7.7403 121.1262 50.6218 19.3258 175.7086 96 P 4.2708 0.0000 0.0000 63.3717 32.8083 174.8909 97 L 5.1676 8.7095 125.4630 53.3092 44.8557 174.8700 98 I 4.8178 8.6243 127.3374 59.2911 39.9947 174.5171 99 E 4.5732 8.8912 129.4243 55.9608 30.5526 175.5502 100 V 4.8057 8.9277 126.3859 61.3798 35.1533 173.7786 101 H 4.9251 9.1175 124.0182 54.1818 32.3643 174.2741 102 I 3.9525 8.7371 124.5081 64.4280 37.7690 176.8606 103 S 4.6625 7.8970 114.2222 56.7244 64.6956 173.3299 104 N 4.4665 8.4264 119.7697 53.0897 38.0131 175.9602 105 V 3.6163 8.1835 126.5450 64.4074 31.6702 176.9313 106 H 4.3999 8.1462 115.8676 56.6440 28.9133 175.4959 107 A 4.5791 7.7095 121.4105 51.8383 19.4059 177.5315 108 R 4.7382 7.2014 116.7834 55.7100 32.2449 175.2897 109 E 3.9171 8.2397 120.6391 57.0504 30.2920 177.4261 110 E 3.8526 8.6924 123.0345 59.2396 29.8193 179.0416 111 F 4.2948 7.7627 112.0309 59.1758 37.9440 175.9429 112 R 3.6992 7.0117 118.9239 57.1217 30.0479 177.0933 113 R 4.1905 7.8947 116.6610 56.3554 30.4767 175.4164 114 H 4.8180 7.9586 118.3950 54.0546 31.5657 173.1129 115 S 4.7276 8.0780 120.5076 56.5335 64.5768 173.4577 116 Y 4.2577 8.4780 125.3073 60.2466 38.3093 176.9445 117 L 4.3262 7.9085 119.5807 56.9888 42.6888 178.8269 118 S 4.1899 8.2156 115.1112 61.3035 62.8898 175.1483 119 P 4.2736 0.0000 0.0000 64.7808 31.1126 177.0733 120 I 4.2294 7.5318 108.2017 60.3386 38.0199 175.3465 121 A 4.5457 7.3737 124.0404 51.4375 20.1459 177.8988 122 T 4.0041 8.6430 117.5673 66.3238 68.8082 174.8431 123 G 4.0907 7.5253 105.4349 45.2065 0.0000 170.8394 124 V 5.0086 8.0821 118.5670 61.0049 34.5659 174.4696 125 I 4.5371 9.0676 128.3864 59.4875 39.8751 174.7204 126 V 4.6348 8.1279 126.2257 62.0131 34.3392 175.5203 127 G 3.9326 8.9689 115.1612 46.0422 0.0000 173.5118 128 L 4.5216 7.7896 117.3158 53.8650 42.6776 178.5904 129 G 3.9162 7.9089 109.3146 45.8231 0.0000 175.1793 130 I 4.1359 8.2493 111.6693 63.6360 37.5992 177.5076 131 Q 4.1899 8.2363 121.1496 58.2251 28.9084 177.6813 132 G 3.6226 7.9389 106.8033 48.2947 0.0000 175.0396 133 Y 4.1128 7.6543 119.0512 61.0558 38.0307 179.0663 134 L 4.1404 7.9427 119.1520 57.6505 41.8924 179.3405 135 L 4.1131 8.3489 119.0402 57.4356 41.4067 179.2839 136 A 4.0831 8.1857 121.0725 54.9567 18.1991 179.6214 137 L 4.0043 8.0359 117.7006 58.0720 41.6837 179.7720 138 R 3.9003 8.0001 118.4922 59.2956 29.7450 177.8515 139 Y 4.0917 7.8366 118.6798 60.7361 39.1645 177.9137 140 L 4.0636 7.9557 119.7359 57.7874 41.5345 179.3876 141 A 4.0216 8.0632 119.8283 54.9451 18.4225 178.7777 142 E 4.1962 8.0977 114.4526 57.4698 29.7350 176.9285 143 H 4.7266 7.3508 115.6721 55.2153 29.8456 173.9177 144 V 3.7418 7.7512 124.8954 63.2300 31.3670 175.6633 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 L 8.04 4.41 0.00 1.36 1.68 0.92 0.57 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 4 I 8.15 4.58 1.99 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 1.21 1.09 0.89 0.00 0.00 5 V 9.66 4.39 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 1.10 0.00 0.00 0.95 0.00 0.00 6 N 9.00 5.03 0.00 2.80 2.68 0.00 0.00 6.08 7.21 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 7 V 8.59 4.76 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 1.14 0.00 0.00 0.97 0.00 0.00 8 I 8.83 4.85 1.97 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 1.21 0.59 1.19 0.00 0.00 9 N 9.40 5.42 0.00 2.71 2.82 0.00 0.00 6.42 7.20 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 10 G 9.03 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 0.00 0.00 0.00 0.00 11 P 0.00 4.42 0.00 2.22 2.02 0.00 3.95 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.14 0.00 12 N 9.34 4.54 0.00 3.02 3.02 0.00 0.00 6.91 6.21 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 13 L 7.61 4.25 0.00 1.81 1.82 1.06 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.04 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 15 R 7.52 4.50 0.00 2.01 1.96 0.00 3.35 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 1.62 1.75 0.00 16 L 7.86 3.99 0.00 1.75 1.81 1.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.78 4.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.12 4.46 0.00 1.78 1.95 0.00 3.38 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.53 0.00 19 R 8.28 4.29 0.00 1.83 1.83 0.00 3.20 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.19 0.00 20 E 7.55 4.63 0.00 1.93 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 0.00 0.00 0.00 2.10 1.82 0.00 *24 Y 8.43 4.27 0.00 2.35 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 0.00 0.00 0.00 0.00 25 G 8.42 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 0.00 0.00 0.00 26 G 8.29 3.85 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 0.00 0.00 0.00 27 T 7.79 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 1.18 0.00 0.00 28 T 8.34 4.91 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 29 H 8.58 4.05 0.00 3.32 3.33 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 D 8.14 4.35 0.00 2.72 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 31 E 7.93 4.08 0.00 2.11 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 2.31 2.29 0.00 32 L 7.96 3.79 0.00 1.68 1.60 0.60 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.68 3.39 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 0.88 0.00 0.00 0.84 0.00 0.00 34 A 7.56 3.96 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 35 L 7.98 3.92 0.00 1.91 1.69 0.90 0.73 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 36 I 7.77 3.70 1.88 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.67 0.89 0.00 0.00 37 E 8.05 3.93 0.00 2.14 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 2.41 2.40 0.00 38 R 8.02 3.89 0.00 1.85 1.96 0.00 3.11 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 39 E 8.31 3.94 0.00 2.18 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 0.00 2.33 2.38 0.00 40 A 8.35 3.98 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 41 A 8.10 4.19 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 42 E 8.09 4.04 0.00 2.20 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 2.34 2.46 0.00 43 L 7.37 4.55 0.00 1.70 1.69 0.99 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 44 G 7.92 3.85 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 0.00 0.00 0.00 45 L 8.37 4.92 0.00 1.51 1.67 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.79 4.71 0.00 1.79 1.60 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.33 7.81 47 A 8.67 5.02 1.20 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 0.00 0.00 48 V 8.68 3.99 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 0.75 0.00 0.00 0.87 0.00 0.00 49 V 8.01 4.66 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 0.70 0.00 0.00 0.83 0.00 0.00 50 R 8.77 4.60 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.62 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.10 0.00 51 Q 8.62 5.27 0.00 1.97 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.11 0.00 52 S 9.15 4.80 0.00 3.92 3.52 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 0.00 0.00 0.00 0.00 53 D 8.94 4.63 0.00 2.70 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 54 S 7.97 4.48 0.00 3.80 3.57 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 55 E 8.69 3.83 0.00 2.03 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 2.33 2.34 0.00 56 A 7.90 3.89 1.24 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 0.00 0.00 57 Q 7.48 3.42 0.00 1.82 1.82 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 1.52 1.16 0.00 58 L 7.54 3.95 0.00 1.86 1.72 0.94 0.90 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 59 L 8.11 3.85 0.00 1.70 1.53 0.88 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 60 D 7.86 4.25 0.00 2.75 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 61 W 7.93 4.52 0.00 3.63 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 62 I 7.95 3.85 1.98 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.78 0.98 0.00 0.00 63 H 8.33 4.24 0.00 3.38 3.36 0.00 5.64 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 64 Q 8.17 4.04 0.00 2.41 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.64 0.00 65 A 8.16 4.01 1.44 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 0.00 0.00 66 A 8.38 3.95 1.44 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 0.00 0.00 67 D 8.25 4.31 0.00 2.69 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 68 A 8.23 4.25 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 69 A 7.46 3.69 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 70 E 8.11 4.90 0.00 1.85 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 2.26 2.40 0.00 71 P 0.00 4.62 0.00 2.16 2.22 0.00 3.81 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 2.09 1.99 0.00 72 V 8.48 4.86 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 1.10 0.00 0.00 0.97 0.00 0.00 73 I 9.10 4.73 1.96 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.69 0.97 0.00 0.00 74 L 9.04 5.06 0.00 1.73 1.50 1.05 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 75 N 9.30 5.27 0.00 2.79 3.03 0.00 0.00 6.92 8.10 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 76 A 8.69 4.45 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 77 G 7.97 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 0.00 0.00 0.00 78 G 8.68 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.70 4.31 0.00 1.82 1.74 0.92 0.91 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 80 T 7.78 3.88 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 1.23 0.00 0.00 81 H 7.76 5.01 0.00 3.25 3.46 0.00 5.59 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 82 T 7.81 4.61 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 1.28 0.00 0.00 83 S 8.16 4.60 0.00 3.86 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 84 V 7.95 3.25 1.86 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 1.00 0.00 0.00 0.29 0.00 0.00 85 A 7.80 3.93 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 86 L 7.91 3.89 0.00 1.77 1.66 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 87 R 7.63 3.90 0.00 1.91 2.09 0.00 3.42 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 88 D 8.19 4.37 0.00 2.80 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 89 A 8.13 4.19 1.41 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 0.00 0.00 0.00 90 C 8.40 4.14 0.00 3.22 3.01 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 91 A 7.92 4.14 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 92 E 7.78 4.12 0.00 2.14 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 2.36 2.37 0.00 93 L 7.37 4.20 0.00 1.74 1.64 0.95 0.98 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 94 S 8.62 4.50 0.00 3.98 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 95 A 7.74 4.30 1.29 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 0.00 0.00 96 P 0.00 4.27 0.00 2.21 2.18 0.00 3.59 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.21 0.00 97 L 8.71 5.17 0.00 1.77 1.49 0.97 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 98 I 8.62 4.82 1.83 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 0.88 0.54 0.79 0.00 0.00 99 E 8.89 4.57 0.00 2.05 1.78 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 2.31 2.24 0.00 100 V 8.93 4.81 1.67 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 0.09 0.00 0.00 0.67 0.00 0.00 101 H 9.12 4.93 0.00 2.98 3.11 0.00 5.67 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 8.74 3.95 1.93 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.19 0.97 0.00 0.00 103 S 7.90 4.66 0.00 3.97 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 0.00 104 N 8.43 4.47 0.00 2.74 2.76 0.00 0.00 6.63 7.71 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 0.00 105 V 8.18 3.62 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 0.44 0.00 0.00 0.84 0.00 0.00 106 H 8.15 4.40 0.00 3.26 3.34 0.00 5.64 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 0.00 107 A 7.71 4.58 1.29 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 0.00 0.00 108 R 7.20 4.74 0.00 1.61 1.61 0.00 3.16 0.00 0.00 3.19 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.70 0.00 109 E 8.24 3.92 0.00 1.16 1.31 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 2.33 2.22 0.00 110 E 8.69 3.85 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 2.37 2.29 0.00 111 F 7.76 4.29 0.00 3.08 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 0.00 112 R 7.01 3.70 0.00 1.68 1.78 0.00 2.92 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.74 0.00 113 R 7.89 4.19 0.00 1.89 1.97 0.00 3.10 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.46 0.00 114 H 7.96 4.82 0.00 3.02 3.14 0.00 5.67 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 0.00 115 S 8.08 4.73 0.00 3.77 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Y 8.48 4.26 0.00 3.18 2.95 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 0.00 117 L 7.91 4.33 0.00 1.87 1.72 0.94 0.82 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 0.00 118 S 8.22 4.19 0.00 3.87 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 0.00 119 P 0.00 4.27 0.00 2.07 2.14 0.00 3.71 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.08 0.00 120 I 7.53 4.23 1.89 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 1.27 0.65 0.94 0.00 0.00 121 A 7.37 4.55 1.31 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 0.00 0.00 122 T 8.64 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 1.13 0.00 0.00 123 G 7.53 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 124 V 8.08 5.01 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 0.85 0.00 0.00 0.93 0.00 0.00 125 I 9.07 4.54 1.77 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 1.05 0.59 0.86 0.00 0.00 126 V 8.13 4.63 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 0.84 0.00 0.00 0.90 0.00 0.00 127 G 8.97 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 0.00 0.00 0.00 128 L 7.79 4.52 0.00 1.62 1.68 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 129 G 7.91 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 0.00 130 I 8.25 4.14 1.95 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 1.57 0.85 0.99 0.00 0.00 131 Q 8.24 4.19 0.00 2.17 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 132 G 7.94 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 0.00 133 Y 7.65 4.11 0.00 3.19 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 0.00 134 L 7.94 4.14 0.00 1.83 1.75 0.95 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.35 4.11 0.00 1.83 1.74 0.93 1.02 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 0.00 136 A 8.19 4.08 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 0.00 137 L 8.04 4.00 0.00 2.01 1.77 1.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 138 R 8.00 3.90 0.00 2.06 2.12 0.00 3.13 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 139 Y 7.84 4.09 0.00 3.06 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 0.00 140 L 7.96 4.06 0.00 1.91 1.73 0.99 1.17 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 0.00 141 A 8.06 4.02 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 0.00 142 E 8.10 4.20 0.00 1.89 1.82 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 2.41 2.45 0.00 143 H 7.35 4.73 0.00 2.79 3.06 0.00 5.85 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 0.00 144 V 7.75 3.74 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 0.73 0.00 0.00 1.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.