NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4736 8.1627 120.2618 55.3513 34.4010 173.1227 2 V 4.6497 8.1874 119.3361 60.8547 33.9584 173.1715 3 R 4.6978 9.2354 126.6580 54.3158 34.1323 174.6076 4 G 4.2689 8.8564 110.4696 45.8161 0.0000 172.8125 5 I 4.8172 8.9729 123.3028 59.3594 40.3127 174.9259 6 R 4.9518 9.0219 125.6243 54.9244 32.6045 175.5126 7 G 4.7695 8.5469 107.7984 44.6805 0.0000 171.3537 8 A 5.1486 7.8734 120.6354 50.9269 22.7030 175.1100 9 I 5.0187 8.6899 120.1175 60.1896 41.9611 173.7010 10 T 5.2258 8.5051 117.4071 60.1738 71.2044 173.8869 11 V 4.5061 7.9964 121.2350 59.9091 33.5280 175.9968 12 E 4.1204 9.0371 122.9892 59.1276 29.6976 176.5882 13 E 4.6532 7.5360 113.7001 55.1334 32.2352 175.0190 14 D 4.6178 8.2952 120.6134 53.2123 39.9180 175.5498 15 T 4.6928 7.5196 113.1127 57.8164 73.5051 172.7584 16 P 4.0044 0.0000 0.0000 65.8232 31.4372 178.7715 17 E 3.9119 8.1061 116.5294 59.4253 29.4489 179.2397 18 A 3.9889 7.7909 120.1487 55.1127 18.4140 179.7681 19 I 3.6378 7.8053 118.3574 64.9800 37.1654 178.4990 20 H 4.2634 8.4377 117.4268 58.7548 28.4913 177.7534 21 Q 3.9292 8.2752 121.2595 59.1115 28.8877 178.1272 22 A 4.0209 8.0727 121.8123 55.5112 18.3381 179.7968 23 T 3.8879 8.1651 114.3730 66.7338 68.5282 177.1793 24 R 3.9192 8.2083 120.1384 59.1706 30.1357 178.6708 25 E 3.9186 8.2100 118.9966 59.1746 29.5839 178.6078 26 L 3.9218 8.0719 120.3112 58.1252 42.3079 178.7689 27 L 3.9514 8.1786 119.1535 57.9174 41.5566 179.5497 28 L 4.0123 7.9764 118.7148 57.7851 41.5637 179.5927 29 K 3.9240 8.1672 119.4882 59.6832 31.7459 178.7989 30 M 3.9907 8.3409 119.4442 58.2091 31.7362 178.8098 31 L 3.6408 7.7607 118.8815 57.5287 41.8604 178.9600 32 E 3.8228 8.2723 119.1368 59.3584 29.4004 178.7922 33 A 3.9937 7.9077 120.0944 54.5445 18.5277 177.7811 34 N 4.7678 7.3323 110.8815 52.3551 38.8279 174.8422 35 G 3.8595 7.8055 105.6031 46.5432 0.0000 174.3217 36 I 4.0873 7.7351 121.6883 60.1087 36.8692 176.0751 37 Q 4.3330 8.4985 124.0233 55.7593 29.5402 175.7744 38 S 4.4363 7.3940 111.3544 56.5284 65.7283 173.1194 39 Y 4.6657 8.0746 121.7379 59.2222 38.2199 177.4582 40 E 4.1622 7.9124 119.0315 58.9637 29.7821 177.9728 41 E 4.2627 8.2539 117.3871 57.8584 30.0926 175.7437 42 L 4.8611 7.8928 119.5177 53.8857 41.4623 176.8722 43 A 4.2412 9.2429 127.5748 54.6327 18.9887 176.9476 44 A 4.4622 7.3521 114.1774 51.7275 22.7721 175.5143 45 V 4.6047 8.4110 118.8111 61.2508 34.9876 174.1670 46 I 5.0207 8.5470 128.6095 59.5670 39.8797 174.6694 47 F 5.5645 9.5454 125.2810 55.9658 42.5450 174.5293 48 T 5.8170 8.9464 110.5715 59.2770 72.5153 173.1544 49 V 5.1305 8.2245 115.6119 59.6330 36.2805 175.2758 50 T 4.5413 8.4345 114.0000 61.2976 69.6299 175.4224 51 E 4.0699 8.8838 120.6143 58.8512 30.0165 177.3968 52 D 4.5088 8.0727 118.0809 53.6577 39.8704 175.3444 53 L 4.7229 7.8377 120.6402 53.6777 42.8787 176.0260 54 T 4.5499 8.9030 111.6198 60.8652 70.1958 175.2368 55 S 4.1089 8.5151 117.1734 60.6471 63.4297 173.5896 56 A 4.2073 7.1719 121.3625 51.2787 21.7997 174.9080 57 F 4.7680 8.2628 118.3228 55.6967 40.2423 175.9489 58 P 4.2015 0.0000 0.0000 65.2322 31.1658 178.4055 59 A 3.3616 7.5525 119.2600 54.8672 18.1125 179.1466 60 E 3.7969 8.0519 117.0257 59.5166 29.5245 179.3401 61 A 4.4139 8.1161 121.8705 54.5599 18.3120 179.5240 62 A 3.9102 7.6606 118.8818 55.1787 18.3340 179.8720 63 R 3.5179 7.6355 116.7581 59.5838 30.2292 178.4758 64 Q 4.0318 8.0735 118.1166 58.4387 28.3895 177.9531 65 I 4.3295 7.3536 110.7424 60.6925 37.7094 176.1051 66 G 4.0966 8.3465 107.8989 47.1702 0.0000 173.8302 67 M 4.1545 7.9342 118.0290 55.1196 32.3852 178.5618 68 H 4.0992 8.5295 118.4519 58.8393 28.9876 176.7362 69 R 4.3168 7.9178 115.1796 56.0521 30.3737 175.9246 70 V 4.0938 7.4015 119.3556 60.7090 32.4264 173.7228 71 P 4.4695 0.0000 0.0000 62.7133 32.1540 175.2707 72 L 5.4411 8.4771 123.6038 53.1042 45.2804 175.6341 73 L 4.8329 8.8379 122.9578 53.7982 45.8606 174.6040 74 S 5.5687 8.7010 118.8138 56.9474 66.3741 172.5205 75 A 4.7740 8.8944 121.4865 50.8306 23.1920 175.3152 76 R 4.5794 8.4446 118.4372 55.6494 30.9277 176.6777 77 E 4.2961 8.7442 125.1113 55.6147 30.8407 176.2052 78 V 3.8862 8.1891 124.1835 61.5797 32.3289 174.2218 79 P 4.4388 0.0000 0.0000 62.5174 32.0858 176.0358 80 V 4.4105 8.0548 121.0862 60.2520 34.5299 172.4832 81 P 4.3857 0.0000 0.0000 64.3868 31.4888 176.9111 82 G 3.9958 8.9502 110.9901 45.3336 0.0000 173.8978 83 S 4.2631 7.7082 114.0787 57.6849 63.5285 174.0154 84 L 4.0586 8.2606 124.1978 54.4518 42.4002 175.2051 85 P 4.5157 0.0000 0.0000 63.1495 33.0213 176.0945 86 R 4.1466 9.0594 115.8512 56.2407 28.0458 175.2307 87 V 4.8524 8.1740 118.1807 61.0336 35.0467 174.7719 88 I 4.9434 8.8108 128.6452 59.7578 39.3665 174.7531 89 R 5.1753 9.1872 126.3791 54.3460 33.4574 175.1841 90 V 4.5846 8.7128 121.8579 60.9696 35.4475 174.2810 91 L 4.9142 8.8065 128.1590 53.4013 44.8441 174.4938 92 A 4.8429 8.8356 129.2442 50.4959 21.2140 175.5880 93 L 4.8333 8.9117 123.0953 53.1654 43.4874 175.3237 94 W 5.3081 9.2330 135.0000 55.6279 32.9245 174.5926 95 N 5.0051 9.3844 126.0781 53.5267 38.1380 174.3100 96 T 4.2195 8.1817 117.7503 61.1005 70.3901 173.0663 97 D 4.4958 8.2879 123.1275 53.6348 40.3814 177.0764 98 T 3.7695 7.2711 118.2371 63.1487 68.9038 172.3594 99 P 4.4102 0.0000 0.0000 62.2073 32.5326 176.8078 100 Q 3.9586 8.9118 121.4701 59.5443 28.8304 178.5913 101 D 4.5761 8.1105 114.4829 55.1461 39.5460 176.6479 102 R 4.5177 7.9510 118.0700 55.8067 30.7991 175.9729 103 V 3.9936 7.5820 118.6820 62.3866 32.1437 175.3689 104 R 4.4700 9.1846 126.7655 55.0765 31.0931 175.5230 105 H 5.0067 8.5501 120.1240 54.4377 31.0090 174.6960 106 V 4.4029 8.4394 121.3193 61.3223 34.1322 173.7507 107 Y 4.9559 8.8263 125.2174 56.3561 40.2330 175.0025 108 L 4.7692 8.9439 124.4282 52.5136 45.3334 178.5424 109 R 3.5362 8.7007 119.2822 57.6529 28.9568 179.8442 110 E 4.1446 9.1038 124.0644 59.4464 29.1337 178.0334 111 A 4.2266 8.1278 121.0837 54.2900 18.3503 179.6514 112 V 3.6668 7.7117 111.0736 63.9247 31.3620 177.8896 113 R 4.0975 7.8956 115.9678 57.3161 30.0527 176.8610 114 L 4.3290 7.6583 118.5192 55.6058 43.0762 176.7503 115 R 3.0969 6.7734 119.8077 55.8949 30.5728 175.1088 *116 P 4.2330 0.0000 0.0000 62.2308 31.4596 174.2358 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 M 8.16 4.47 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.56 0.00 2 V 8.19 4.65 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 0.81 0.00 0.00 0.97 0.00 0.00 3 R 9.24 4.70 0.00 1.77 1.81 0.00 3.31 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.65 0.00 4 G 8.86 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 0.00 0.00 0.00 0.00 5 I 8.97 4.82 1.84 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.94 0.88 0.00 0.00 6 R 9.02 4.95 0.00 1.64 1.72 0.00 3.29 0.00 0.00 3.33 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 7 G 8.55 4.77 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 8 A 7.87 5.15 1.18 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 9 I 8.69 5.02 1.87 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 1.30 1.57 0.99 0.00 0.00 10 T 8.51 5.23 4.26 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 0.00 0.00 0.00 1.23 0.00 0.00 11 V 8.00 4.51 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 0.76 0.00 0.00 1.02 0.00 0.00 12 E 9.04 4.12 0.00 1.98 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 2.32 2.30 0.00 13 E 7.54 4.65 0.00 2.01 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 0.00 2.17 2.27 0.00 14 D 8.30 4.62 0.00 2.71 2.61 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 15 T 7.52 4.69 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 1.22 0.00 0.00 16 P 0.00 4.00 0.00 2.09 2.00 0.00 3.54 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 2.05 2.27 0.00 17 E 8.11 3.91 0.00 2.02 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 2.39 2.43 0.00 18 A 7.79 3.99 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 19 I 7.81 3.64 1.75 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.65 0.89 0.00 0.00 20 H 8.44 4.26 0.00 3.19 3.49 0.00 5.64 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 Q 8.28 3.93 0.00 2.24 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 22 A 8.07 4.02 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 T 8.17 3.89 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 1.36 0.00 0.00 24 R 8.21 3.92 0.00 2.03 1.99 0.00 3.14 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.90 0.00 25 E 8.21 3.92 0.00 2.14 2.12 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 2.31 2.32 0.00 26 L 8.07 3.92 0.00 1.79 1.80 0.93 0.46 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 27 L 8.18 3.95 0.00 1.79 1.72 1.05 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.98 4.01 0.00 1.85 1.73 0.96 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.17 3.92 0.00 1.98 1.92 0.00 1.62 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.50 7.81 30 M 8.34 3.99 0.00 1.96 2.15 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.47 0.00 31 L 7.76 3.64 0.00 1.82 1.80 1.13 0.54 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 E 8.27 3.82 0.00 2.05 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 2.28 2.31 0.00 33 A 7.91 3.99 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 34 N 7.33 4.77 0.00 2.20 2.16 0.00 0.00 6.94 7.53 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 35 G 7.81 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 I 7.74 4.09 1.60 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.15 0.80 0.00 0.00 37 Q 8.50 4.33 0.00 1.97 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.76 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 38 S 7.39 4.44 0.00 3.70 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 39 Y 8.07 4.67 0.00 3.09 2.85 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 40 E 7.91 4.16 0.00 2.00 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 0.00 2.40 2.34 0.00 41 E 8.25 4.26 0.00 2.27 2.48 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 0.00 2.57 2.46 0.00 42 L 7.89 4.86 0.00 1.69 1.65 0.92 0.66 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 43 A 9.24 4.24 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 44 A 7.35 4.46 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 45 V 8.41 4.60 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 0.21 0.00 0.00 0.81 0.00 0.00 46 I 8.55 5.02 1.80 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 1.22 0.58 0.97 0.00 0.00 47 F 9.55 5.56 0.00 2.92 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 48 T 8.95 5.82 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 1.25 0.00 0.00 49 V 8.22 5.13 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 0.93 0.00 0.00 0.96 0.00 0.00 50 T 8.43 4.54 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 1.28 0.00 0.00 51 E 8.88 4.07 0.00 2.09 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 2.28 2.30 0.00 52 D 8.07 4.51 0.00 2.92 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 53 L 7.84 4.72 0.00 1.75 1.59 0.90 0.80 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 54 T 8.90 4.55 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 1.21 0.00 0.00 55 S 8.52 4.11 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 56 A 7.17 4.21 1.08 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 0.00 0.00 57 F 8.26 4.77 0.00 3.07 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 58 P 0.00 4.20 0.00 1.64 1.98 0.00 3.59 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 59 A 7.55 3.36 1.07 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 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.05 3.80 0.00 1.75 1.77 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 2.47 2.54 0.00 61 A 8.12 4.41 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 62 A 7.66 3.91 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 63 R 7.64 3.52 0.00 1.71 2.01 0.00 3.19 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.32 0.00 64 Q 8.07 4.03 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.69 0.00 0.00 0.00 0.00 0.00 2.34 2.57 0.00 65 I 7.35 4.33 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 1.46 0.56 0.94 0.00 0.00 66 G 8.35 4.10 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 0.00 0.00 0.00 67 M 7.93 4.15 0.00 1.72 1.84 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.81 0.00 68 H 8.53 4.10 0.00 3.09 3.39 0.00 5.88 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 R 7.92 4.32 0.00 1.85 1.99 0.00 3.23 0.00 0.00 3.18 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 70 V 7.40 4.09 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 0.73 0.00 0.00 0.82 0.00 0.00 71 P 0.00 4.47 0.00 2.12 1.97 0.00 3.71 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.12 0.00 72 L 8.48 5.44 0.00 1.51 1.74 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.84 4.83 0.00 1.76 1.47 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 74 S 8.70 5.57 0.00 3.98 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 75 A 8.89 4.77 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.44 4.58 0.00 1.74 1.90 0.00 3.24 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 77 E 8.74 4.30 0.00 2.01 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 2.32 0.00 78 V 8.19 3.89 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 0.86 0.00 0.00 0.94 0.00 0.00 79 P 0.00 4.44 0.00 2.09 1.97 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 80 V 8.05 4.41 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 1.02 0.00 0.00 0.94 0.00 0.00 81 P 0.00 4.39 0.00 2.08 2.00 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 82 G 8.95 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 0.00 0.00 0.00 83 S 7.71 4.26 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 84 L 8.26 4.06 0.00 1.62 1.64 0.96 1.03 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 85 P 0.00 4.52 0.00 2.22 2.03 0.00 3.97 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 86 R 9.06 4.15 0.00 1.98 1.94 0.00 3.12 0.00 0.00 3.18 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.50 0.00 87 V 8.17 4.85 2.12 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 1.03 0.00 0.00 1.01 0.00 0.00 88 I 8.81 4.94 1.92 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 1.26 0.82 1.03 0.00 0.00 89 R 9.19 5.18 0.00 1.73 1.79 0.00 3.19 0.00 0.00 3.14 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 90 V 8.71 4.58 1.93 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 0.52 0.00 0.00 0.92 0.00 0.00 91 L 8.81 4.91 0.00 1.67 1.40 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 92 A 8.84 4.84 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 93 L 8.91 4.83 0.00 1.61 1.65 0.92 0.55 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 94 W 9.23 5.31 0.00 3.26 3.23 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 95 N 9.38 5.01 0.00 2.80 2.74 0.00 0.00 6.79 7.09 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 96 T 8.18 4.22 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 0.20 0.00 0.00 97 D 8.29 4.50 0.00 2.71 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 98 T 7.27 3.77 3.80 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 0.00 0.00 1.24 0.00 0.00 99 P 0.00 4.41 0.00 2.45 2.15 0.00 3.69 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.93 0.00 100 Q 8.91 3.96 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.97 0.00 0.00 0.00 0.00 0.00 2.48 2.42 0.00 101 D 8.11 4.58 0.00 2.84 2.80 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 0.00 0.00 0.00 102 R 7.95 4.52 0.00 1.92 2.00 0.00 3.18 0.00 0.00 3.16 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 103 V 7.58 3.99 2.12 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 0.94 0.00 0.00 1.12 0.00 0.00 104 R 9.18 4.47 0.00 1.76 1.84 0.00 3.38 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.86 0.00 105 H 8.55 5.01 0.00 3.21 3.38 0.00 5.64 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 V 8.44 4.40 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 0.96 0.00 0.00 0.89 0.00 0.00 107 Y 8.83 4.96 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 0.00 108 L 8.94 4.77 0.00 1.57 1.55 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 109 R 8.70 3.54 0.00 2.03 1.49 0.00 3.32 0.00 0.00 3.35 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 110 E 9.10 4.14 0.00 2.06 2.01 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 2.34 2.34 0.00 111 A 8.13 4.23 1.57 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 0.00 0.00 112 V 7.71 3.67 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 1.00 0.00 0.00 1.01 0.00 0.00 113 R 7.90 4.10 0.00 1.87 1.97 0.00 3.15 0.00 0.00 3.23 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 114 L 7.66 4.33 0.00 1.76 1.69 1.01 1.09 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 0.00 115 R 6.77 3.10 0.00 0.93 1.55 0.00 3.39 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.09 0.00 *116 P 0.00 4.23 0.00 1.88 1.84 0.00 3.70 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 1.84 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.