NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2505 8.1744 117.3842 63.8250 69.6784 173.1978 3 T 4.0702 7.2173 118.0071 60.1338 70.2719 171.6110 4 P 3.9744 0.0000 0.0000 65.6418 31.6780 178.4582 5 S 4.1191 7.9205 111.2155 61.7367 62.3570 175.8660 6 M 4.0244 7.9938 120.8349 58.5392 31.6220 178.4635 7 E 3.9575 8.4362 118.8410 59.4903 29.6362 179.1392 8 D 4.4001 8.2795 118.9744 57.4657 40.7683 178.4965 9 Y 3.8861 8.1939 117.2080 61.2046 37.8930 178.5822 10 I 3.7739 8.0601 120.8734 64.2807 37.1836 178.0560 11 E 3.9721 8.5056 120.3380 59.5991 29.4283 179.0239 12 Q 4.0677 8.2347 117.9732 58.9321 28.7557 178.7961 13 I 3.7565 8.2426 121.3160 64.4461 37.1580 177.7706 14 Y 4.0266 8.3355 120.4830 61.1042 38.5748 178.1555 15 M 4.1284 8.3231 119.5388 58.3870 32.0615 178.7794 16 L 3.9360 8.2245 119.3608 57.8571 41.7799 179.6462 17 I 3.7457 7.7691 119.7241 64.4345 36.7826 178.4047 18 E 3.8812 7.7251 118.4884 58.8885 29.2553 178.7609 19 E 3.9827 8.0578 119.2263 58.7538 29.9869 178.1579 20 K 4.0974 8.2344 116.8428 55.9387 33.0385 177.7299 21 G 3.8854 8.6726 106.4977 44.8592 0.0000 172.1158 22 Y 4.7885 6.3011 115.1570 56.2714 41.3962 173.8181 23 A 4.7063 8.5277 120.0290 50.2990 21.8846 175.6730 24 R 4.3808 8.7230 120.8120 56.3843 31.6270 178.5246 25 V 3.6946 8.6331 121.4327 66.1967 31.7094 178.6532 26 S 4.1833 8.0837 113.6612 61.5779 62.8420 176.1198 27 D 4.4320 7.9833 121.9823 57.0375 40.7002 178.6071 28 I 3.7227 7.8823 120.2847 64.0536 36.9936 178.2482 29 A 3.9846 8.1220 121.7161 55.2179 18.1264 179.3702 30 E 3.8419 8.1153 117.1650 59.2559 29.4914 178.7751 31 A 3.9924 7.9427 119.8996 54.7358 18.5957 178.7281 32 L 4.2252 7.7796 113.6506 53.3198 43.0970 176.2730 33 A 3.7599 7.5395 121.2715 53.4348 16.3123 176.7984 34 V 4.5998 7.9174 112.9140 59.3958 36.4403 175.9843 35 H 4.4771 8.5520 120.9151 55.3196 30.6418 174.3553 36 P 4.2863 0.0000 0.0000 65.8779 31.1512 178.9319 37 S 4.1355 7.9064 112.4669 61.7539 62.8148 176.7303 38 S 4.1665 8.2403 118.7513 61.1623 62.5338 176.8020 39 V 3.8695 7.7758 120.5033 66.2958 31.3518 177.8672 40 T 3.8252 8.0520 115.5153 66.5842 68.2157 176.2802 41 K 3.8282 7.8465 120.9138 59.8295 32.1419 178.4712 42 M 3.7914 7.9284 118.3464 58.4842 31.9468 178.2448 43 V 3.5808 8.1372 118.8685 66.1416 31.6300 178.0356 44 Q 3.9665 8.0635 117.8560 58.6997 28.5154 178.7274 45 K 3.9545 7.7148 120.8349 59.5457 32.2492 178.9653 46 L 4.3156 8.2210 119.5942 57.8056 41.5908 179.0762 47 D 4.7310 8.3965 119.6917 56.6120 40.9571 178.2448 48 K 3.9962 7.9383 119.2182 59.5842 32.3941 177.9929 49 D 4.5450 8.4240 115.5355 53.9793 40.7970 175.9262 50 E 3.8112 7.7182 117.4970 57.7794 27.6050 175.1981 51 Y 4.3507 8.4255 118.1241 59.5360 38.6844 175.1246 52 L 5.0428 7.4455 118.7551 54.9558 44.0653 173.7097 53 I 4.8234 9.1376 112.2313 59.4220 41.4856 173.3541 54 Y 4.9927 7.9874 123.2178 56.5255 41.1550 173.5227 *59 G 3.3010 9.0148 113.6579 45.0708 0.0000 173.0734 60 L 4.6699 5.6200 116.9186 54.1856 43.3100 177.6569 61 V 4.4580 8.7352 124.4535 60.8224 34.2110 174.8288 62 L 4.8426 8.6852 127.9475 54.8527 42.7504 177.0519 63 T 4.4241 8.5608 113.3720 60.3507 70.5307 175.9194 64 S 4.2485 8.5432 116.0841 61.3423 62.6659 176.4042 65 K 4.0161 8.0819 122.9094 59.4077 32.0547 178.9235 66 G 3.8745 8.1672 105.8959 47.8206 0.0000 175.8782 67 K 4.3292 8.7065 121.3562 59.1503 32.1473 179.6299 68 K 3.9584 8.3919 118.9857 59.5995 31.9858 179.5340 69 I 3.9042 7.9272 120.1820 64.2314 37.0379 178.6818 70 G 3.4396 8.5223 107.0529 47.6017 0.0000 175.5447 71 K 3.2585 7.6054 122.2150 59.1267 32.1070 179.1506 72 R 4.0081 7.7497 117.7567 59.1018 29.8506 179.1045 73 L 4.1287 8.1743 119.1450 57.7207 41.6333 179.6461 74 V 3.6079 7.8762 118.3251 65.9846 31.4103 177.4395 75 Y 4.0783 8.1895 119.3361 60.6576 38.6860 177.9330 76 R 3.7432 8.4883 119.9381 59.7096 30.2173 177.8140 77 H 3.9771 8.3615 117.9767 59.2677 29.8898 176.7146 78 E 3.9556 8.2777 121.0305 59.2345 29.3782 178.4915 79 L 3.8489 7.9194 120.6954 58.1870 42.1084 179.0080 80 L 4.1151 7.9857 118.8879 57.7321 41.4080 179.4025 81 E 3.9795 8.2502 118.7541 59.3877 29.3457 179.2583 82 Q 4.0004 8.1958 118.1260 58.8466 28.8095 178.6716 83 F 4.2969 8.5254 121.7876 61.5650 39.5326 177.2605 84 L 3.3583 7.8211 118.4609 57.2885 41.2921 179.5748 85 R 3.7784 8.1970 119.1242 59.5401 29.8612 178.6214 86 I 3.6510 7.7680 118.8791 63.9938 37.1378 177.5212 87 I 3.9213 7.0847 110.9733 60.8538 37.6524 176.5310 88 G 3.8214 7.5632 108.6450 45.4391 0.0000 174.1368 89 V 3.6162 7.2553 119.1833 62.0043 32.1346 175.7016 90 D 4.3343 8.6774 125.9649 54.8380 41.4678 176.7960 91 E 3.8706 9.1726 124.7981 59.8776 29.2448 178.8991 92 E 4.0493 8.1773 116.3330 58.8069 29.6784 178.4794 93 K 4.3153 8.2008 117.6696 57.3381 32.3942 178.9391 94 I 3.6965 7.5285 120.5659 64.4623 37.0166 177.2066 95 Y 4.1021 8.1297 119.7061 61.1571 38.4096 178.0013 96 N 4.3069 8.2864 116.5313 56.3456 38.5921 177.0627 97 D 4.2936 7.8312 120.3495 57.3235 40.8741 178.9472 98 V 3.4506 7.8895 118.9508 66.0572 31.2669 177.7504 99 E 4.1092 7.4370 118.9899 58.4767 29.2508 179.3176 100 G 3.7827 7.5500 104.9408 47.4306 0.0000 175.8025 101 I 3.9768 8.0270 116.1466 62.9811 37.5107 177.7285 102 E 3.7607 8.2079 119.4082 59.7294 29.1574 178.7457 103 H 4.3619 7.7893 113.7929 57.3684 29.0261 175.4106 104 H 4.7919 8.0599 115.5733 55.1295 28.9693 173.7389 105 L 4.5911 7.4179 120.0930 52.5992 43.5424 177.2416 106 S 4.1590 8.2204 118.2939 57.7960 65.1310 175.3858 107 W 4.5022 8.3489 122.0914 59.7844 28.7536 178.3336 108 N 4.3837 8.2564 116.8647 56.8745 38.4315 176.9600 109 S 4.1301 8.0696 116.5185 61.5825 62.8586 176.7465 110 I 3.7239 7.9568 122.5215 64.5105 36.8790 178.2051 111 D 4.4647 8.6623 120.1428 57.6019 40.6927 179.1669 112 R 4.0058 8.1432 118.5098 59.1478 29.9558 179.1773 113 I 3.7234 8.1063 120.1657 63.8934 36.9892 178.6422 114 G 3.6852 8.2091 106.8918 48.0588 0.0000 175.5789 115 D 4.4724 8.2007 121.5709 56.7869 40.8259 178.6719 116 L 3.9905 7.9946 121.0921 58.1380 42.1142 179.2065 117 V 3.8944 8.2140 118.4616 66.1236 31.6187 177.7815 118 Q 4.0312 8.3380 119.4240 59.1587 28.6552 177.3101 119 Y 4.0616 8.0426 120.0170 61.1137 39.1283 178.2783 120 F 4.1974 8.2248 117.6182 60.2023 38.8033 177.6089 121 E 4.1737 8.1344 117.9480 58.5344 29.3940 177.9997 122 E 4.5304 7.8097 115.0787 56.0186 30.4364 176.2437 123 D 4.2921 7.4089 119.4071 52.6177 43.1831 175.3591 124 D 4.4667 8.7942 128.1068 57.0971 40.6662 178.5093 125 A 4.0248 8.4838 121.8922 55.2029 18.3317 179.8399 126 R 3.9498 7.9606 116.5442 59.3428 29.9887 179.4600 127 K 4.1315 8.0578 117.9172 59.3188 32.1451 179.4288 128 K 3.9870 8.2064 118.8415 59.6424 31.7831 179.1742 129 D 4.4222 8.3014 118.3619 57.1852 41.1007 178.3455 130 L 4.1725 8.2302 120.9315 58.0888 42.1199 178.9028 131 K 3.9386 8.3618 119.8533 59.6713 32.0830 178.8980 132 S 4.2203 8.2282 115.4510 61.5244 62.4391 176.7744 133 I 3.7508 7.3558 121.5230 64.2151 36.9020 177.9579 134 Q 4.0752 7.9193 118.9113 59.1718 29.1226 177.6017 135 K 3.9960 8.1417 118.6203 59.4882 32.2118 177.3224 136 K 4.2551 8.0109 122.8357 56.7103 32.2919 176.2145 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 T 8.17 4.25 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 1.29 0.00 0.00 3 T 7.22 4.07 4.22 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 1.21 0.00 0.00 4 P 0.00 3.97 0.00 2.05 1.77 0.00 3.60 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 5 S 7.92 4.12 0.00 3.90 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 6 M 7.99 4.02 0.00 1.95 2.25 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.53 0.00 7 E 8.44 3.96 0.00 2.23 2.06 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 2.34 2.49 0.00 8 D 8.28 4.40 0.00 2.95 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 9 Y 8.19 3.89 0.00 3.21 3.03 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 10 I 8.06 3.77 1.85 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.63 0.95 0.00 0.00 11 E 8.51 3.97 0.00 2.20 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 2.35 2.39 0.00 12 Q 8.23 4.07 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.55 2.46 0.00 13 I 8.24 3.76 2.11 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 1.52 1.20 1.01 0.00 0.00 14 Y 8.34 4.03 0.00 3.22 3.17 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 0.00 0.00 0.00 0.00 15 M 8.32 4.13 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.99 2.73 0.00 16 L 8.22 3.94 0.00 1.84 1.70 0.95 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.77 3.75 1.83 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 1.52 0.71 0.82 0.00 0.00 18 E 7.73 3.88 0.00 1.96 1.90 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 1.90 2.12 0.00 19 E 8.06 3.98 0.00 1.95 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 2.23 2.29 0.00 20 K 8.23 4.10 0.00 1.12 1.08 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.25 1.28 7.81 21 G 8.67 3.89 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 0.00 0.00 0.00 22 Y 6.30 4.79 0.00 2.87 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 23 A 8.53 4.71 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 24 R 8.72 4.38 0.00 2.03 1.90 0.00 3.14 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 25 V 8.63 3.69 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 1.13 0.00 0.00 1.01 0.00 0.00 26 S 8.08 4.18 0.00 4.11 4.13 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 27 D 7.98 4.43 0.00 2.93 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 28 I 7.88 3.72 2.07 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.19 0.87 0.00 0.00 29 A 8.12 3.98 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 30 E 8.12 3.84 0.00 2.09 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 2.30 2.32 0.00 31 A 7.94 3.99 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 32 L 7.78 4.23 0.00 1.43 1.54 -0.11 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 33 A 7.54 3.76 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 34 V 7.92 4.60 2.16 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 0.78 0.00 0.00 1.01 0.00 0.00 35 H 8.55 4.48 0.00 3.22 3.21 0.00 5.89 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.29 0.00 2.05 2.06 0.00 3.06 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 2.03 2.12 0.00 37 S 7.91 4.14 0.00 4.09 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 0.00 38 S 8.24 4.17 0.00 4.15 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 39 V 7.78 3.87 2.33 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 1.27 0.00 0.00 1.06 0.00 0.00 40 T 8.05 3.83 4.40 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 1.17 0.00 0.00 41 K 7.85 3.83 0.00 1.84 1.95 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.42 7.81 42 M 7.93 3.79 0.00 1.36 1.31 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.81 0.00 43 V 8.14 3.58 2.27 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 1.11 0.00 0.00 1.04 0.00 0.00 44 Q 8.06 3.97 0.00 2.28 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.65 0.00 45 K 7.71 3.95 0.00 1.73 1.92 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.49 7.81 46 L 8.22 4.32 0.00 1.92 1.83 0.95 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.40 4.73 0.00 2.85 2.88 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 48 K 7.94 4.00 0.00 1.81 2.01 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.49 7.81 49 D 8.42 4.55 0.00 2.99 2.74 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 50 E 7.72 3.81 0.00 2.02 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 2.22 2.40 0.00 51 Y 8.43 4.35 0.00 3.23 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 52 L 7.45 5.04 0.00 1.98 1.87 1.04 0.64 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 53 I 9.14 4.82 1.92 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 1.14 0.92 0.95 0.00 0.00 54 Y 7.99 4.99 0.00 3.02 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *59 G 9.01 3.30 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 0.00 60 L 5.62 4.67 0.00 1.70 1.73 1.06 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.74 4.46 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 0.99 0.00 0.00 0.90 0.00 0.00 62 L 8.69 4.84 0.00 1.67 1.71 1.13 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.56 4.42 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 1.28 0.00 0.00 64 S 8.54 4.25 0.00 4.09 4.19 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 0.00 0.00 0.00 0.00 65 K 8.08 4.02 0.00 1.79 1.79 0.00 1.49 0.00 0.00 1.52 0.00 0.00 2.13 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.43 7.81 66 G 8.17 3.87 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 0.00 0.00 0.00 67 K 8.71 4.33 0.00 2.01 2.04 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.61 1.76 7.81 68 K 8.39 3.96 0.00 1.97 1.85 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.77 7.81 69 I 7.93 3.90 2.02 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 1.84 1.22 0.99 0.00 0.00 70 G 8.52 3.44 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 0.00 71 K 7.61 3.26 0.00 1.77 1.82 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.49 7.81 72 R 7.75 4.01 0.00 2.09 2.04 0.00 2.60 0.00 0.00 3.03 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.49 0.00 73 L 8.17 4.13 0.00 1.83 1.75 0.97 0.73 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 74 V 7.88 3.61 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 1.10 0.00 0.00 1.04 0.00 0.00 75 Y 8.19 4.08 0.00 3.13 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 76 R 8.49 3.74 0.00 2.33 2.17 0.00 2.96 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 77 H 8.36 3.98 0.00 3.39 3.42 0.00 5.84 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 78 E 8.28 3.96 0.00 2.22 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 2.36 0.00 79 L 7.92 3.85 0.00 1.09 1.47 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 80 L 7.99 4.12 0.00 1.80 1.71 0.84 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.25 3.98 0.00 2.21 2.02 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 2.31 2.55 0.00 82 Q 8.20 4.00 0.00 2.33 2.21 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 2.67 2.54 0.00 83 F 8.53 4.30 0.00 3.07 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 84 L 7.82 3.36 0.00 1.60 1.50 0.86 0.31 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 85 R 8.20 3.78 0.00 1.91 2.04 0.00 3.09 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 86 I 7.77 3.65 1.98 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.79 0.59 0.00 0.00 87 I 7.08 3.92 1.68 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.27 0.72 0.00 0.00 88 G 7.56 3.82 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 0.00 0.00 0.00 89 V 7.26 3.62 2.06 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 0.73 0.00 0.00 0.79 0.00 0.00 90 D 8.68 4.33 0.00 2.75 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.17 3.87 0.00 2.05 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 2.38 2.49 0.00 92 E 8.18 4.05 0.00 1.97 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 2.31 2.40 0.00 93 K 8.20 4.32 0.00 1.88 1.83 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.46 7.81 94 I 7.53 3.70 2.00 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 1.35 0.85 0.91 0.00 0.00 95 Y 8.13 4.10 0.00 3.07 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 96 N 8.29 4.31 0.00 2.81 2.87 0.00 0.00 7.05 8.08 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 97 D 7.83 4.29 0.00 2.82 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 98 V 7.89 3.45 1.91 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 0.76 0.00 0.00 0.86 0.00 0.00 99 E 7.44 4.11 0.00 1.90 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 1.47 1.89 0.00 100 G 7.55 3.78 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 0.00 0.00 0.00 101 I 8.03 3.98 1.86 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 1.76 0.53 0.91 0.00 0.00 102 E 8.21 3.76 0.00 1.98 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 0.00 2.20 1.69 0.00 103 H 7.79 4.36 0.00 2.92 3.22 0.00 5.66 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.06 4.79 0.00 3.08 3.24 0.00 5.62 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.42 4.59 0.00 1.46 1.46 0.85 0.86 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 0.00 106 S 8.22 4.16 0.00 4.01 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 0.00 107 W 8.35 4.50 0.00 3.39 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 0.00 108 N 8.26 4.38 0.00 2.89 2.84 0.00 0.00 7.25 7.63 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 0.00 109 S 8.07 4.13 0.00 4.03 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 0.00 110 I 7.96 3.72 2.38 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.93 1.21 0.00 0.00 111 D 8.66 4.46 0.00 2.88 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 0.00 112 R 8.14 4.01 0.00 1.93 1.94 0.00 3.28 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.80 0.00 113 I 8.11 3.72 1.85 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.51 0.45 0.00 0.00 114 G 8.21 3.69 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 0.00 0.00 0.00 115 D 8.20 4.47 0.00 2.88 2.75 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 0.00 116 L 7.99 3.99 0.00 1.86 1.91 1.05 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 117 V 8.21 3.89 2.34 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 1.05 0.00 0.00 1.12 0.00 0.00 118 Q 8.34 4.03 0.00 2.30 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.52 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 119 Y 8.04 4.06 0.00 2.91 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 0.00 120 F 8.22 4.20 0.00 3.33 3.09 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 0.00 121 E 8.13 4.17 0.00 2.16 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 2.64 2.53 0.00 122 E 7.81 4.53 0.00 2.13 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 0.00 2.44 2.17 0.00 123 D 7.41 4.29 0.00 2.67 2.35 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 0.00 124 D 8.79 4.47 0.00 2.80 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 0.00 125 A 8.48 4.02 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 0.00 126 R 7.96 3.95 0.00 1.93 1.86 0.00 2.54 0.00 0.00 2.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.47 0.00 127 K 8.06 4.13 0.00 2.02 1.86 0.00 1.70 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.62 1.78 7.81 128 K 8.21 3.99 0.00 2.01 1.87 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.75 7.81 129 D 8.30 4.42 0.00 2.85 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 0.00 130 L 8.23 4.17 0.00 2.06 1.85 0.98 -0.32 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 0.00 131 K 8.36 3.94 0.00 2.02 1.93 0.00 1.65 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.52 7.81 132 S 8.23 4.22 0.00 4.12 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 0.00 133 I 7.36 3.75 2.06 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.72 0.93 0.00 0.00 134 Q 7.92 4.08 0.00 2.02 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.99 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 135 K 8.14 4.00 0.00 1.91 1.88 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.74 1.61 7.81 136 K 8.01 4.26 0.00 1.91 1.84 0.00 1.85 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.60 7.81 * Residues marked with a * may have inaccurate shift predictions.