NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.0439 8.1633 120.7025 55.1593 33.8455 173.8749 2 R 4.9596 9.0558 121.9901 51.7866 34.0405 169.6863 3 V 4.9416 8.5387 122.0812 60.0088 35.6815 174.0196 4 V 4.6962 8.9018 124.3197 61.5723 33.4258 174.1651 5 I 4.9676 8.8849 129.9185 59.8564 39.4186 174.7808 6 Q 5.2048 9.0134 125.9879 53.7755 32.1469 174.9786 7 R 4.3143 8.8368 125.2145 56.5313 31.4463 175.7041 8 V 5.0205 8.9294 118.3114 59.9057 35.8569 176.2544 9 K 4.2152 9.0844 121.8914 57.9771 33.0787 176.9218 10 G 4.2577 7.7537 104.5416 45.2537 0.0000 172.2411 11 A 5.2294 8.6003 121.3768 50.4469 23.4089 175.6244 12 I 4.7451 8.7988 122.0476 59.4648 40.6326 174.2374 13 L 4.8830 8.7688 130.5407 54.0799 43.5322 175.6489 14 S 5.3407 9.3953 121.6286 56.9206 67.3079 173.2762 15 V 4.8965 8.5136 114.2859 59.4046 35.8452 175.4057 16 R 4.5679 8.8808 123.0701 57.0795 30.9060 177.5292 17 K 4.8728 8.7574 126.3997 53.9210 34.7492 175.1945 18 E 4.6068 8.9427 109.8385 59.7138 31.8775 174.5810 19 N 4.9471 7.9251 117.4784 52.4780 38.8229 178.5684 *26 E 4.5207 7.9644 117.1011 56.9128 31.9265 178.1206 27 L 5.0211 7.7316 119.9098 53.7602 43.7890 175.4047 28 E 4.7232 8.9846 121.7520 54.6383 33.3623 174.4629 29 I 4.6432 8.4891 127.7316 61.4617 37.6758 175.7046 30 I 4.6908 8.6860 117.1750 60.3841 39.1962 175.0133 31 S 4.7032 7.8553 116.5219 57.5871 65.7904 172.2912 32 E 5.2644 8.4411 124.9244 55.1410 32.4552 173.9262 33 I 4.8589 8.8623 119.2513 58.4751 41.4133 175.4157 34 K 4.6478 9.0537 125.5670 55.7362 30.9280 177.6792 35 N 4.3583 8.5859 124.4726 53.6158 39.1314 175.3833 36 G 4.1894 7.0892 107.6182 45.8109 0.0000 170.5299 37 L 5.2146 8.0270 119.9210 53.0239 44.8234 175.5086 38 I 4.5386 8.4822 123.2744 59.5728 40.1390 173.8869 39 C 5.0692 8.6570 127.5983 58.0058 30.6828 173.1910 40 F 4.8550 9.2996 124.9437 56.5615 40.0447 174.7652 41 L 5.0460 9.6270 127.5880 53.2677 44.3516 175.0666 42 G 4.4675 9.5995 115.0011 44.7894 0.0000 171.9605 43 I 5.0028 8.7188 126.4777 60.3529 39.3107 174.8188 44 H 4.1063 9.7051 129.8778 55.4746 31.0489 176.4409 45 K 3.7588 7.8959 127.1477 57.4375 32.0008 178.8626 46 N 4.9679 8.1988 115.9612 52.7991 39.1980 174.4640 47 D 4.7330 7.7298 118.4773 54.2994 41.7777 176.6276 48 T 4.7768 8.8763 114.0334 59.6911 71.1303 175.5230 49 W 4.4898 8.8999 130.5093 60.6208 30.5135 177.5144 50 E 3.9330 8.1027 117.4692 59.3705 28.7177 178.9651 51 D 4.3310 8.0996 118.3969 57.4667 40.9728 178.7861 52 A 4.0091 7.9641 120.6697 54.9758 18.2945 179.4845 53 L 3.4333 7.6575 117.9059 57.7166 41.5319 178.8963 54 Y 3.8410 7.8040 119.3944 60.7797 38.6862 178.0563 55 I 3.6816 7.5306 120.3301 64.7124 37.3287 178.2654 56 I 3.1355 7.3833 120.1461 64.1817 36.6650 178.3933 57 R 3.7271 7.9561 119.6133 59.4665 29.9091 178.7752 58 K 3.8477 7.8986 118.3619 59.5362 31.7482 179.1933 59 C 4.2214 8.2678 116.5592 62.8383 28.2116 175.7837 60 L 4.2725 8.0053 118.6621 56.2785 41.4533 177.3025 61 N 4.9270 7.5507 113.5004 52.5082 40.8385 174.9265 62 L 3.9251 8.0101 119.8063 55.1275 42.0553 176.7286 63 R 4.7950 8.6080 123.0288 55.4105 29.0665 176.4165 64 L 5.1833 8.6427 120.5891 54.0019 43.0577 176.4970 65 W 4.7299 8.3643 118.9476 54.8448 32.4062 174.3790 66 N 4.9740 8.3565 116.9768 51.8709 40.1661 174.5557 *71 T 4.7944 7.8751 108.6094 62.7672 70.2814 174.0071 72 W 4.2497 7.3165 120.3586 57.6886 26.5684 173.6308 73 D 4.7911 8.9853 121.6685 55.4015 43.4376 176.5597 74 K 4.8053 8.0017 119.6431 52.6547 34.3120 177.0461 75 N 5.7872 9.0326 122.5790 50.1180 40.6597 176.6596 76 V 3.4058 8.4951 119.8320 64.7251 31.1894 178.6195 77 K 3.5481 7.8643 118.6064 59.3154 31.8518 178.4769 78 D 4.3563 8.1735 118.0943 57.3279 40.8699 178.4692 79 L 3.9315 6.9744 115.6446 53.2305 41.8270 176.1339 80 N 4.4132 7.9991 114.8773 53.3538 36.6877 173.9939 81 Y 4.8872 7.8192 115.1712 57.7151 39.8138 174.7840 82 E 4.9140 8.8484 119.9684 55.0859 32.9338 175.3116 83 L 5.1676 8.6573 119.9667 53.0432 45.5404 175.7594 84 L 4.7819 8.8292 126.7788 53.7878 43.3878 175.1177 85 I 4.5444 8.6050 129.3230 59.9731 38.8189 175.1795 86 V 4.6109 8.6844 128.1241 60.6186 34.2501 174.8011 87 S 4.6563 8.6712 123.1127 58.6669 63.7379 174.6985 88 Q 4.4733 9.4743 125.2296 54.5861 29.4035 174.7765 89 F 4.5481 8.2601 119.3598 59.0658 38.8571 178.4253 90 T 4.1343 6.9305 111.2072 63.9611 68.3710 175.5888 91 L 4.0251 7.5637 121.1473 56.7533 41.6173 177.3612 92 F 4.8860 8.4775 116.6165 56.8340 39.8791 176.0469 93 G 3.5495 8.4591 107.7326 46.9944 0.0000 172.8143 94 N 4.9265 9.4334 126.9072 52.5311 40.2441 175.3614 95 T 4.4274 8.4875 116.4290 61.6698 69.9154 175.4546 96 K 4.0221 8.3312 127.4890 57.7924 32.3078 182.9818 97 K 4.6004 7.7470 118.6832 52.2401 31.9252 176.1050 98 G 4.1639 7.6652 107.0073 44.2102 0.0000 172.4383 99 N 4.5528 8.5537 115.7271 52.8087 38.6146 175.3044 100 K 4.3734 7.5891 120.5217 53.4198 32.7049 173.8474 101 P 4.4079 0.0000 0.0000 62.7023 31.8642 175.4854 102 D 4.5106 8.1520 119.6994 51.5102 42.3507 175.9022 103 F 5.4484 8.1582 118.1954 57.5175 39.6718 176.9726 104 H 4.4188 8.1446 118.4823 58.5406 29.1721 177.6433 105 L 3.9266 7.9563 118.3184 56.2700 41.9544 176.2894 106 A 4.1481 7.5188 121.8484 51.1762 18.6472 177.5107 107 K 3.7575 8.4170 127.1824 57.4610 32.8499 177.1144 108 E 4.0627 8.8790 124.1820 56.4183 30.6124 174.2585 109 P 4.3742 0.0000 0.0000 65.7956 30.8699 179.0173 110 N 4.3797 8.1817 117.0608 56.9801 38.6435 177.9175 111 E 4.0567 8.1571 119.0213 60.8834 29.9091 180.3878 112 A 4.3410 8.3424 122.0181 55.1570 18.3933 179.4371 113 L 2.9681 7.6414 118.3659 58.0172 41.9427 179.2547 114 I 3.6809 7.3945 118.9624 64.3279 37.0093 177.9764 115 F 4.0286 8.6011 121.6981 61.5688 39.1428 176.3753 116 Y 4.3690 8.9985 119.2342 61.0993 38.6943 177.8214 117 N 4.4010 8.8807 120.0577 57.0114 38.6653 178.1505 118 K 3.9910 8.4827 125.3516 59.7937 31.6637 181.1281 119 I 4.0061 8.1251 121.0799 64.4623 37.0460 178.6014 120 I 3.8549 8.0461 121.0136 64.4047 36.8360 178.2237 121 D 4.3701 8.2743 119.7516 57.4464 40.6367 178.4488 122 E 4.0129 8.3814 119.7583 59.1970 29.5720 178.7082 123 F 4.1812 8.3407 117.9195 60.8137 39.0761 177.9175 124 K 4.1974 8.4361 120.3609 59.8632 31.5432 180.3535 125 K 4.0671 8.0312 123.5989 59.7436 31.8243 181.8548 126 Q 4.5153 8.4325 117.5164 55.8011 29.1340 175.8030 127 Y 4.8288 8.3316 117.0977 57.1522 39.7143 175.3838 128 N 4.6882 5.7700 109.7482 52.2969 43.3856 173.8201 129 D 4.2786 8.9904 127.8295 58.1109 41.4059 177.5104 130 D 4.5174 8.9682 116.1937 54.3709 40.1856 179.0682 131 K 4.1712 7.7833 116.4889 57.1773 32.5582 175.6863 132 I 4.6744 7.3729 120.0593 59.6331 38.3662 175.2551 133 K 4.6628 8.9573 127.7915 55.1751 34.4554 175.7938 134 I 5.2501 7.5559 114.4163 58.8009 41.3972 173.5517 135 G 4.1093 8.2271 108.4301 44.2144 0.0000 173.4268 136 K 4.3708 8.4148 120.8060 54.6216 31.2607 175.4589 137 F 3.9410 8.6920 128.5329 59.7730 39.4670 175.8192 138 G 3.9941 8.1887 115.2625 45.6080 0.0000 172.8849 139 N 4.9358 7.6156 116.4860 51.3201 40.4228 174.2850 140 Y 4.1084 8.4532 121.9178 58.0784 39.5020 175.1348 141 M 4.8966 7.2118 125.0561 53.4204 36.4405 174.0486 142 N 4.7148 9.2140 121.2299 52.0487 41.1436 173.5292 143 I 4.9263 8.2401 127.3055 59.5154 39.6505 175.1484 144 D 4.6000 8.7684 128.8958 53.8758 41.7013 175.8775 145 V 4.6414 8.3731 123.7830 61.4372 34.1347 175.5227 146 T 4.4007 8.7716 125.5320 62.1400 68.5395 173.1432 147 N 4.7595 8.5887 123.7722 53.3689 39.3960 174.8005 148 D 4.3466 10.4045 125.2324 53.5256 40.5269 173.6336 149 G 3.5895 8.6248 116.5908 44.2354 0.0000 171.0296 150 P 4.5171 0.0000 0.0000 61.0994 33.0628 175.6327 151 V 4.3798 8.0511 116.7324 61.6632 34.2564 173.8914 152 T 5.0607 8.6775 124.8354 61.8917 70.6899 173.7808 153 I 4.6315 9.0446 127.5885 59.5427 40.4708 174.0439 154 Y 5.2336 8.5608 125.7357 55.9383 41.7555 174.6317 155 I 4.4561 7.5586 125.6953 59.4440 41.7905 173.5272 156 D 5.1827 8.3866 126.3417 52.4023 43.2444 176.7071 157 T 3.6699 8.9658 117.9021 64.6405 68.9636 175.4728 158 H 4.6335 8.0887 117.7915 56.2928 28.2135 175.4865 159 D 4.7489 7.9782 122.3656 54.7884 42.1510 177.3321 160 I 4.0466 7.3368 121.3377 59.7400 36.1185 180.6285 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 5.04 0.00 1.73 2.02 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 2 R 9.06 4.96 0.00 1.34 1.63 0.00 2.30 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 3 V 8.54 4.94 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 0.66 0.00 0.00 1.02 0.00 0.00 4 V 8.90 4.70 2.25 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 1.11 0.00 0.00 1.11 0.00 0.00 5 I 8.88 4.97 1.90 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 1.26 0.47 0.92 0.00 0.00 6 Q 9.01 5.20 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.00 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 7 R 8.84 4.31 0.00 1.62 1.64 0.00 2.21 0.00 0.00 2.49 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.59 0.00 8 V 8.93 5.02 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 0.92 0.00 0.00 1.00 0.00 0.00 9 K 9.08 4.22 0.00 1.59 1.84 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.44 1.41 7.81 10 G 7.75 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 0.00 0.00 0.00 0.00 11 A 8.60 5.23 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 12 I 8.80 4.75 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.00 0.91 0.00 0.00 13 L 8.77 4.88 0.00 1.70 1.52 0.89 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 14 S 9.40 5.34 0.00 3.75 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 15 V 8.51 4.90 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 0.80 0.00 0.00 1.03 0.00 0.00 16 R 8.88 4.57 0.00 1.76 1.87 0.00 3.04 0.00 0.00 3.19 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 17 K 8.76 4.87 0.00 1.71 1.60 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.28 1.21 7.81 18 E 8.94 4.61 0.00 1.95 1.84 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 2.12 1.83 0.00 19 N 7.93 4.95 0.00 2.69 2.66 0.00 0.00 6.50 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 *26 E 7.96 4.52 0.00 1.68 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 2.21 1.92 0.00 27 L 7.73 5.02 0.00 1.55 1.66 0.99 0.95 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 28 E 8.98 4.72 0.00 2.00 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 2.22 2.30 0.00 29 I 8.49 4.64 1.88 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 1.41 0.66 0.94 0.00 0.00 30 I 8.69 4.69 1.89 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 1.13 0.68 0.98 0.00 0.00 31 S 7.86 4.70 0.00 3.92 3.67 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 0.00 0.00 0.00 0.00 32 E 8.44 5.26 0.00 1.97 1.73 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 2.18 2.46 0.00 33 I 8.86 4.86 1.84 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 1.20 0.58 0.88 0.00 0.00 34 K 9.05 4.65 0.00 1.93 1.31 0.00 1.54 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.40 7.81 35 N 8.59 4.36 0.00 1.44 1.49 0.00 0.00 6.68 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 7.09 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 0.00 0.00 0.00 37 L 8.03 5.21 0.00 1.67 1.60 1.09 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.48 4.54 1.79 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 1.43 1.02 0.00 0.00 39 C 8.66 5.07 0.00 2.79 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 40 F 9.30 4.85 0.00 2.96 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 41 L 9.63 5.05 0.00 1.82 1.74 1.20 1.44 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 42 G 9.60 4.47 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 0.00 43 I 8.72 5.00 2.03 0.00 0.00 1.32 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 1.24 0.63 0.00 0.00 44 H 9.71 4.11 0.00 3.16 3.41 0.00 5.61 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 45 K 7.90 3.76 0.00 1.57 1.74 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.40 1.32 7.81 46 N 8.20 4.97 0.00 2.67 2.83 0.00 0.00 6.93 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 47 D 7.73 4.73 0.00 2.48 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 0.00 0.00 0.00 0.00 48 T 8.88 4.78 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 1.30 0.00 0.00 49 W 8.90 4.49 0.00 3.38 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 50 E 8.10 3.93 0.00 2.12 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 2.42 2.55 0.00 51 D 8.10 4.33 0.00 3.12 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 52 A 7.96 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.66 3.43 0.00 1.63 1.55 0.55 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 7.80 3.84 0.00 3.17 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 55 I 7.53 3.68 1.99 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.86 1.01 0.00 0.00 56 I 7.38 3.14 1.48 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.33 0.16 0.00 0.00 57 R 7.96 3.73 0.00 1.73 1.77 0.00 3.00 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.55 0.00 58 K 7.90 3.85 0.00 1.72 1.72 0.00 1.58 0.00 0.00 1.41 0.00 0.00 2.56 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.74 1.23 7.81 59 C 8.27 4.22 0.00 3.41 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 60 L 8.01 4.27 0.00 1.68 1.65 1.01 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 61 N 7.55 4.93 0.00 2.65 2.77 0.00 0.00 6.99 8.56 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 62 L 8.01 3.93 0.00 1.79 1.63 0.89 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.61 4.80 0.00 2.01 2.17 0.00 3.11 0.00 0.00 3.40 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.90 0.00 64 L 8.64 5.18 0.00 0.95 1.39 0.81 1.01 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 65 W 8.36 4.73 0.00 3.59 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 66 N 8.36 4.97 0.00 2.68 2.64 0.00 0.00 6.53 7.05 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 *71 T 7.88 4.79 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 1.13 0.00 0.00 72 W 7.32 4.25 0.00 3.43 3.39 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 73 D 8.99 4.79 0.00 2.74 2.67 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 0.00 0.00 0.00 0.00 74 K 8.00 4.81 0.00 1.69 1.63 0.00 1.83 0.00 0.00 1.87 0.00 0.00 2.91 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.34 0.95 7.81 75 N 9.03 5.79 0.00 3.14 3.23 0.00 0.00 6.61 6.98 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 76 V 8.50 3.41 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 1.13 0.00 0.00 1.18 0.00 0.00 77 K 7.86 3.55 0.00 1.74 1.58 0.00 1.36 0.00 0.00 1.45 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.30 1.10 7.81 78 D 8.17 4.36 0.00 2.68 2.67 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 0.00 0.00 0.00 0.00 79 L 6.97 3.93 0.00 0.27 0.13 0.19 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 80 N 8.00 4.41 0.00 2.67 2.86 0.00 0.00 6.97 7.32 0.00 0.00 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 7.82 4.89 0.00 2.63 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 82 E 8.85 4.91 0.00 1.93 1.94 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 2.23 2.29 0.00 83 L 8.66 5.17 0.00 1.41 1.28 1.12 0.36 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 84 L 8.83 4.78 0.00 1.69 1.45 0.90 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.61 4.54 1.79 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.42 0.96 0.00 0.00 86 V 8.68 4.61 1.79 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 0.96 0.00 0.00 0.72 0.00 0.00 87 S 8.67 4.66 0.00 3.38 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 88 Q 9.47 4.47 0.00 2.21 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.84 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 89 F 8.26 4.55 0.00 3.32 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 90 T 6.93 4.13 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 0.38 0.00 0.00 91 L 7.56 4.03 0.00 1.48 1.46 0.98 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 92 F 8.48 4.89 0.00 3.27 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 93 G 8.46 3.55 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 0.00 0.00 0.00 94 N 9.43 4.93 0.00 2.70 2.84 0.00 0.00 6.27 7.10 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 95 T 8.49 4.43 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 1.15 0.00 0.00 96 K 8.33 4.02 0.00 1.76 1.77 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.39 1.26 7.81 97 K 7.75 4.60 0.00 1.73 1.62 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.24 0.96 7.81 98 G 7.67 4.16 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 0.00 0.00 0.00 99 N 8.55 4.55 0.00 2.71 2.84 0.00 0.00 6.69 7.61 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 0.00 100 K 7.59 4.37 0.00 1.67 1.69 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.40 7.81 101 P 0.00 4.41 0.00 1.76 1.93 0.00 3.76 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 2.07 2.02 0.00 102 D 8.15 4.51 0.00 2.66 2.55 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 0.00 103 F 8.16 5.45 0.00 3.13 3.27 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 0.00 104 H 8.14 4.42 0.00 3.12 3.34 0.00 5.65 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 0.00 105 L 7.96 3.93 0.00 1.66 1.37 1.08 0.92 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 0.00 106 A 7.52 4.15 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 0.00 107 K 8.42 3.76 0.00 1.86 1.81 0.00 1.65 0.00 0.00 1.76 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.38 7.81 108 E 8.88 4.06 0.00 1.70 1.83 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 2.32 1.93 0.00 109 P 0.00 4.37 0.00 2.18 2.24 0.00 3.54 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 110 N 8.18 4.38 0.00 2.81 2.85 0.00 0.00 7.27 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 0.00 111 E 8.16 4.06 0.00 1.97 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 1.94 0.00 112 A 8.34 4.34 1.65 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 0.00 113 L 7.64 2.97 0.00 0.70 1.50 0.31 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.39 3.68 2.07 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 1.40 0.53 0.91 0.00 0.00 115 F 8.60 4.03 0.00 3.44 3.38 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 0.00 116 Y 9.00 4.37 0.00 3.46 3.34 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 0.00 117 N 8.88 4.40 0.00 2.95 2.89 0.00 0.00 7.22 7.91 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 0.00 118 K 8.48 3.99 0.00 1.74 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.36 7.81 119 I 8.13 4.01 2.15 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.72 0.99 0.00 0.00 120 I 8.05 3.85 1.93 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.38 0.90 0.00 0.00 121 D 8.27 4.37 0.00 2.93 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 0.00 122 E 8.38 4.01 0.00 2.39 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 2.17 2.26 0.00 123 F 8.34 4.18 0.00 3.31 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 0.00 124 K 8.44 4.20 0.00 2.01 1.88 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.73 7.81 125 K 8.03 4.07 0.00 1.86 1.72 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.35 7.81 126 Q 8.43 4.52 0.00 2.03 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 127 Y 8.33 4.83 0.00 2.99 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 0.00 128 N 5.77 4.69 0.00 2.57 1.74 0.00 0.00 7.11 8.37 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 0.00 129 D 8.99 4.28 0.00 2.64 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 0.00 130 D 8.97 4.52 0.00 2.70 2.56 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 0.00 131 K 7.78 4.17 0.00 1.07 1.46 0.00 1.52 0.00 0.00 1.51 0.00 0.00 2.77 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.92 0.70 7.81 132 I 7.37 4.67 1.85 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 1.50 1.02 0.82 0.00 0.00 133 K 8.96 4.66 0.00 1.79 1.68 0.00 1.46 0.00 0.00 1.66 0.00 0.00 3.16 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.56 1.40 7.81 134 I 7.56 5.25 2.11 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 1.29 1.70 0.91 0.00 0.00 135 G 8.23 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 0.00 0.00 0.00 136 K 8.41 4.37 0.00 1.84 1.77 0.00 1.79 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.55 1.48 7.81 137 F 8.69 3.94 0.00 2.78 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 0.00 138 G 8.19 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 0.00 0.00 0.00 139 N 7.62 4.94 0.00 2.91 2.81 0.00 0.00 6.89 7.02 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 0.00 140 Y 8.45 4.11 0.00 2.97 2.90 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 0.00 0.00 0.00 141 M 7.21 4.90 0.00 1.75 1.69 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.45 0.00 142 N 9.21 4.71 0.00 2.82 2.71 0.00 0.00 7.00 8.34 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 0.00 143 I 8.24 4.93 1.91 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 1.31 0.76 0.91 0.00 0.00 144 D 8.77 4.60 0.00 2.64 2.62 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 0.00 145 V 8.37 4.64 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 0.87 0.00 0.00 1.00 0.00 0.00 146 T 8.77 4.40 4.32 0.00 0.00 0.00 0.00 0.00 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 0.00 147 N 8.59 4.76 0.00 2.62 2.78 0.00 0.00 6.96 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 0.00 148 D 10.40 4.35 0.00 2.74 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 0.00 149 G 8.62 3.59 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 0.00 0.00 0.00 150 P 0.00 4.52 0.00 2.18 2.09 0.00 3.46 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.07 0.00 151 V 8.05 4.38 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 1.24 0.00 0.00 0.99 0.00 0.00 152 T 8.68 5.06 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 1.24 0.00 0.00 153 I 9.04 4.63 1.87 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.02 0.89 0.00 0.00 154 Y 8.56 5.23 0.00 2.91 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 0.00 155 I 7.56 4.46 1.75 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 1.11 0.49 1.00 0.00 0.00 156 D 8.39 5.18 0.00 2.77 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 0.00 157 T 8.97 3.67 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 1.23 0.00 0.00 158 H 8.09 4.63 0.00 3.23 3.31 0.00 5.62 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 7.98 4.75 0.00 2.83 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 0.00 160 I 7.34 4.05 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.76 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.