NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3980 8.3044 120.3485 55.3057 33.3877 174.4263 2 E 4.4013 8.4618 125.4906 53.8028 32.2966 171.5231 3 E 4.2678 9.6422 127.7339 56.3210 31.1393 176.4775 4 V 4.3110 8.2382 114.6726 60.8368 34.2046 175.6067 5 K 4.3963 7.8431 122.3122 55.8246 33.3702 175.6115 6 K 5.3272 8.5954 125.1694 55.1413 36.1936 174.9536 7 D 4.8565 9.0286 122.0601 52.8798 46.2223 174.0738 8 V 4.2293 7.6764 119.5697 62.1407 32.4156 174.6261 9 Y 4.6923 8.6361 124.9350 56.3392 41.2110 174.8090 10 S 5.1096 8.9653 117.1022 56.7007 67.1943 173.1912 11 V 4.8057 8.7636 122.4821 60.9860 34.0942 174.2147 12 W 5.5738 9.4531 127.6340 55.0134 32.2078 174.4132 13 A 5.1546 9.3064 126.3515 50.7538 20.4741 175.8666 14 L 5.1952 9.1417 122.7584 52.0283 44.5481 174.7646 15 P 5.0788 0.0000 0.0000 62.7093 32.6037 175.7298 16 D 4.8617 8.8632 121.6207 52.4457 40.4649 177.0536 17 E 3.9975 8.5862 117.1078 59.3345 29.3860 178.4051 18 E 4.1250 8.3107 118.6234 58.1200 29.9431 177.8162 19 S 4.2612 7.9789 112.9713 59.1473 64.2618 175.8574 20 E 3.9995 8.2296 123.2448 58.9058 29.2040 177.1297 21 P 4.1896 0.0000 0.0000 65.1256 31.3128 178.3339 22 R 3.7199 7.6891 117.2054 59.5977 29.8339 178.4602 23 F 4.3672 7.2582 116.9232 60.4945 38.8055 177.8460 24 K 3.8986 8.2647 118.2613 59.3873 31.8366 179.5433 25 K 3.9417 8.3705 119.1864 59.3102 31.9229 179.2254 26 L 3.9520 7.6549 120.7448 58.3214 42.0223 178.8984 27 M 3.8978 8.2940 119.1361 58.1432 31.8016 178.4054 28 E 3.8218 8.4906 119.6666 59.1927 29.8920 178.7753 29 A 3.9817 7.9861 120.8074 55.1177 18.4646 179.6098 30 L 4.0737 8.0562 117.5873 58.0198 41.4867 179.6746 31 R 3.9895 7.7329 117.4762 59.4991 30.0196 178.5489 32 S 4.2394 7.8643 114.0845 61.4834 62.9582 176.0332 33 E 3.8316 7.8828 120.4554 60.7283 29.9734 176.3781 34 F 4.3262 8.7034 120.9069 57.2265 39.6291 173.5117 35 T 4.6082 9.6310 119.4541 60.9411 70.1447 172.3212 36 G 4.0419 8.5387 107.5733 42.6020 0.0000 171.8067 37 P 4.4992 0.0000 0.0000 62.2722 32.1852 175.6237 38 R 4.4251 8.4081 120.1995 55.3750 30.9648 175.4951 39 F 5.1894 7.9123 118.3872 55.3884 41.0563 174.1937 40 V 3.9963 8.5040 114.8831 59.9182 32.3336 174.7691 41 P 4.2832 0.0000 0.0000 63.3249 31.7198 174.9303 42 H 4.7786 7.7384 114.2856 55.0948 31.9200 172.4755 43 V 4.6328 8.5228 118.4393 60.0344 33.8931 174.8221 44 T 4.8205 8.5402 125.1392 64.0727 69.0542 174.9700 45 V 4.5582 9.1326 116.1387 60.9882 34.5307 175.0324 46 A 4.7867 7.7147 120.1359 50.9456 22.4514 175.2867 47 V 4.7340 8.1907 119.5187 61.2992 34.6106 175.2980 48 S 4.6590 8.7943 122.9714 56.9460 65.5735 172.7610 49 A 4.3727 8.0340 122.0656 51.3793 20.3782 175.5313 50 Y 4.3417 8.5373 114.7559 58.1891 38.5577 175.7512 51 L 5.2567 9.1109 124.2888 52.8773 46.0673 176.5461 52 T 5.0658 10.2111 113.1495 60.7141 70.2864 175.4261 53 A 3.9620 8.9628 123.5101 55.6573 18.1665 179.3758 54 D 4.2975 8.4538 117.0325 57.7856 40.9464 179.0984 55 E 3.8792 8.0623 118.3924 59.4745 29.4072 179.4073 56 A 3.6836 7.9662 120.8444 54.6460 18.1513 179.5688 57 K 3.8399 8.1565 118.4245 59.7484 32.3510 179.0669 58 K 3.8426 8.1657 118.8804 59.8234 31.9685 178.9907 59 M 4.0214 8.3818 118.8061 58.5309 32.0434 178.1176 60 F 4.3257 8.5181 121.3603 61.2394 39.4821 177.0965 61 E 3.7985 8.9565 118.7921 59.3494 29.2095 179.4379 62 S 4.0054 8.0582 115.0456 61.4166 62.8704 176.6087 63 A 3.9110 7.9409 123.3312 55.2973 17.9206 179.1212 64 C 3.9972 7.7206 113.7797 60.3655 40.4062 175.7310 65 D 4.3861 8.5241 119.5127 56.7026 40.4646 178.3071 66 G 3.8918 7.8374 103.5050 43.6310 0.0000 173.2365 67 L 4.4342 7.2997 123.1116 53.7543 43.2103 175.8295 68 K 4.7075 8.2225 123.9419 54.2075 34.3752 175.9931 69 A 4.5345 8.6299 123.8274 53.0187 19.1419 176.2903 70 Y 4.9600 8.5838 117.6399 56.1164 42.5214 173.5522 71 T 4.9374 8.6560 115.2295 61.6738 70.9316 173.9479 72 A 4.7750 8.2983 127.6582 50.3122 22.4668 175.2405 73 T 5.1083 8.0655 115.7342 61.4097 72.3985 173.5229 74 V 3.8622 9.2055 127.4747 63.3264 31.9885 175.5166 75 D 4.6530 9.2615 130.2654 55.9660 41.0321 176.0944 76 R 5.4641 7.8207 112.0851 55.9502 33.1566 172.9808 77 V 4.3848 8.2732 120.2226 60.9184 32.5848 175.2872 78 S 4.6650 8.9602 118.6745 56.5036 66.4578 172.0471 79 T 5.2101 7.5180 111.0853 58.9348 71.6802 173.3536 80 G 4.9124 8.6363 108.2073 44.1373 0.0000 172.5139 81 T 4.7324 8.8918 110.2977 61.1904 69.4195 173.1648 82 F 5.0209 7.6501 116.5148 55.3020 41.4730 174.8226 83 F 4.0491 9.1530 122.0688 60.9750 38.7908 177.1650 84 F 3.8662 7.4146 115.2651 58.7578 39.7785 175.5767 85 Q 4.3255 6.9930 119.5784 54.2515 28.3770 174.2301 86 C 4.3375 7.4275 121.7768 60.3533 32.8911 173.0355 87 V 4.8088 7.9942 114.9972 60.9977 34.7119 173.8827 88 F 5.1932 8.3724 121.4902 55.6710 41.9831 173.1609 89 L 4.5287 8.7984 121.0187 53.8427 42.8002 175.7749 90 L 4.7316 8.7091 127.6402 54.5869 43.0997 176.1906 91 L 5.0198 8.6376 126.6986 53.6824 43.3635 176.6002 92 Q 4.2513 8.8610 121.1492 55.3510 29.2269 177.5696 93 T 4.2928 8.0390 114.9915 61.3708 68.3553 174.9813 94 T 4.1946 7.4114 112.9823 61.4322 71.4875 172.9857 95 P 4.2165 0.0000 0.0000 66.0695 31.5434 178.7698 96 E 3.8227 8.0998 116.5510 59.3033 29.1999 179.5056 97 V 3.5771 7.0566 117.2350 66.4239 31.6591 177.6915 98 M 4.4898 8.3315 118.5622 58.3839 31.6840 178.5745 99 E 3.8897 8.4815 118.8817 59.4154 29.4527 179.0125 100 A 3.8958 7.3108 119.0850 55.2037 18.4473 179.3315 101 G 2.6592 7.1571 99.6847 43.9865 0.0000 173.4761 102 E 4.5098 7.1163 120.7191 55.3798 31.2739 175.4925 103 H 4.8740 8.0165 117.3375 55.2673 30.1098 174.4723 104 C 4.4493 8.2199 119.0251 55.8058 40.3074 173.0823 105 K 4.1235 8.6450 125.6705 56.6866 32.4142 177.1848 106 N 4.1272 8.6263 119.9487 57.2447 38.8006 175.3822 107 H 4.7348 8.1453 110.9246 55.5385 29.2636 174.8729 108 F 4.5702 7.8304 119.0417 56.0292 40.4665 174.6688 109 N 4.9271 8.6846 120.3404 52.4008 39.9284 174.5855 110 C 4.4680 9.0156 123.7310 57.3601 41.6057 173.7164 111 S 3.3734 7.7616 112.6984 58.8294 60.2020 169.9972 *116 Y 4.4971 7.5119 121.5306 58.5719 39.3380 174.2206 117 M 4.2704 8.0416 128.0212 52.0832 32.2190 171.6815 118 P 4.1474 0.0000 0.0000 62.8110 32.5944 175.1870 119 H 5.2433 8.4339 117.9403 54.6803 32.4497 172.1314 120 L 4.7851 8.9015 120.9328 51.8167 43.9356 175.5715 121 S 4.5020 8.5698 122.4439 59.3192 62.9743 174.2106 122 L 4.3122 8.7841 123.6664 55.8469 43.2293 176.8525 123 L 4.7557 7.6270 118.7290 53.3710 46.0595 174.4293 124 Y 4.6275 7.9380 121.5584 56.2966 39.8414 174.8105 125 A 4.3031 7.3465 123.0168 51.7792 23.6644 175.3677 126 E 4.3973 9.2199 119.8912 54.8115 29.6065 175.6624 127 L 4.9523 7.9846 122.9550 52.4838 44.8927 177.4448 128 T 4.2277 8.5030 111.3887 61.2327 70.8760 175.2009 129 E 3.8802 8.7423 122.1675 59.5553 29.4395 178.7249 130 E 3.8946 8.1050 118.5022 59.5144 29.8598 178.3093 131 E 4.0948 8.2416 118.5457 59.4984 29.4082 179.4583 132 K 3.7228 8.2529 118.4708 59.3061 32.0900 178.8717 133 K 3.7489 7.9900 119.5714 59.9115 32.0171 178.3655 134 N 4.3231 8.4815 116.4592 56.4031 38.4862 177.2504 135 A 3.2972 7.9139 122.4574 54.7296 17.7131 179.4857 136 Q 3.6981 8.0152 118.3335 59.2409 29.1242 178.3182 137 E 4.0752 8.4223 119.9261 59.4676 29.5079 179.3483 138 K 4.0285 8.5462 119.6492 59.1429 32.2749 178.7066 139 A 3.8802 7.7917 121.3977 55.4312 17.7992 179.2822 140 Y 4.2810 7.6141 114.0998 61.1557 37.6196 178.6466 141 T 4.1192 7.5587 115.9027 66.1637 68.7414 176.5602 142 L 4.4421 8.0988 120.1215 56.2564 42.5441 177.0506 143 D 4.5993 7.6244 116.6664 53.2508 42.2490 174.5970 144 S 4.5380 8.7004 120.4664 60.1565 63.5393 176.5637 145 S 4.5846 8.1564 113.1091 58.4598 63.2161 174.5566 146 L 4.1183 7.9303 123.1448 58.3653 41.8120 177.4051 147 D 4.6834 8.2395 119.3687 56.2737 40.8389 177.2602 148 G 4.0550 9.2511 114.4297 44.6132 0.0000 173.2606 149 L 4.1013 7.9699 122.6774 56.0227 42.9440 175.9369 150 S 5.5760 8.8048 121.8396 57.0261 65.2082 173.3264 151 F 5.0619 8.6841 117.4268 55.5352 41.8994 172.9849 152 R 4.6174 8.7418 120.6926 55.4908 31.8895 174.7612 153 L 5.0442 8.5519 127.2242 52.8721 43.5108 176.1328 154 N 4.9488 8.6208 120.7508 52.0673 39.4635 173.8593 155 R 5.1793 7.9420 116.0440 55.7996 34.8933 173.7943 156 L 5.5868 9.1643 121.9147 53.1716 45.5918 175.2302 157 A 5.2441 9.5692 123.1324 50.1314 22.4801 174.8073 158 L 4.1789 8.2896 124.6092 53.7333 43.4336 175.2779 159 C 4.9656 8.7497 123.2269 57.7763 33.3464 173.2228 160 K 4.2554 8.4196 119.7373 54.9036 33.9536 175.8753 161 T 3.4739 7.7185 115.8257 58.9366 70.0234 173.1212 162 D 4.3734 8.5223 127.6240 54.4688 39.8635 176.5327 163 T 3.5396 8.3093 120.8059 63.9842 67.4147 174.1078 164 E 4.5961 8.4884 118.6340 56.9079 30.1842 176.4514 165 D 4.7030 8.7259 122.3622 51.9730 39.5864 176.6588 166 K 3.4704 8.0468 122.0692 58.1132 32.4888 178.1960 167 T 3.9948 7.8603 108.5084 62.0809 69.2972 176.1579 168 L 3.1866 8.2611 120.7199 54.2052 40.4538 175.8144 169 E 3.9628 7.9178 118.3741 59.4266 29.4584 178.2742 170 T 4.2832 8.2114 106.7376 62.2442 69.5603 175.0017 171 W 4.6344 8.3940 124.0403 57.1930 29.5487 175.5016 172 E 4.7204 8.8614 122.4952 54.7595 32.7095 174.2907 173 T 4.1649 8.4669 117.8099 61.4787 67.8367 174.2089 174 V 4.0373 8.6022 129.1360 65.0401 32.6714 175.6960 175 A 4.6885 7.2146 119.0514 50.9105 22.3822 175.3341 176 V 5.2918 8.3605 118.5954 61.6498 35.2526 173.5087 177 C 5.0607 9.2084 118.3924 54.2354 45.2694 172.6647 178 N 5.1028 8.7318 118.3209 52.7427 39.5368 174.3920 179 L 4.6069 8.3502 122.7816 53.5042 43.3139 176.5515 180 N 4.7379 8.6611 120.7727 52.3216 39.8791 173.2677 181 P 4.7571 0.0000 0.0000 62.8741 32.5295 175.9717 182 G 3.9478 8.3962 105.4221 48.5014 0.0000 172.9025 183 S 4.2455 7.3876 119.3564 57.2985 62.2368 173.8868 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 8.30 4.40 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 E 8.46 4.40 0.00 1.98 1.76 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 2.17 2.39 0.00 3 E 9.64 4.27 0.00 2.01 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 4 V 8.24 4.31 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 0.93 0.00 0.00 5 K 7.84 4.40 0.00 1.86 1.69 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.63 1.50 7.81 6 K 8.60 5.33 0.00 1.75 1.90 0.00 1.77 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.50 7.81 7 D 9.03 4.86 0.00 2.19 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 0.00 0.00 0.00 0.00 8 V 7.68 4.23 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.20 0.00 0.00 9 Y 8.64 4.69 0.00 2.84 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.97 5.11 0.00 3.29 3.66 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 11 V 8.76 4.81 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 1.34 0.00 0.00 1.00 0.00 0.00 12 W 9.45 5.57 0.00 3.23 3.08 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 13 A 9.31 5.15 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 9.14 5.20 0.00 1.66 1.69 1.08 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 15 P 0.00 5.08 0.00 2.32 2.43 0.00 3.95 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.19 0.00 16 D 8.86 4.86 0.00 2.97 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 17 E 8.59 4.00 0.00 2.15 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 2.27 2.35 0.00 18 E 8.31 4.12 0.00 1.95 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 2.30 2.36 0.00 19 S 7.98 4.26 0.00 3.57 4.03 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 20 E 8.23 4.00 0.00 2.20 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 2.34 2.43 0.00 21 P 0.00 4.19 0.00 2.12 2.03 0.00 3.55 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 22 R 7.69 3.72 0.00 1.69 1.66 0.00 3.11 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 0.95 1.14 0.00 23 F 7.26 4.37 0.00 3.00 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 24 K 8.26 3.90 0.00 1.95 1.82 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.43 7.81 25 K 8.37 3.94 0.00 1.79 1.82 0.00 1.64 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.54 7.81 26 L 7.65 3.95 0.00 1.79 1.84 0.86 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 27 M 8.29 3.90 0.00 1.73 2.07 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.34 0.00 28 E 8.49 3.82 0.00 2.19 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 2.28 2.34 0.00 29 A 7.99 3.98 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 30 L 8.06 4.07 0.00 1.76 1.74 0.91 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 31 R 7.73 3.99 0.00 2.04 2.10 0.00 3.49 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 32 S 7.86 4.24 0.00 4.04 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 33 E 7.88 3.83 0.00 1.89 1.63 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 0.00 1.68 2.10 0.00 34 F 8.70 4.33 0.00 3.16 2.96 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 0.00 0.00 0.00 35 T 9.63 4.61 4.31 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 1.29 0.00 0.00 36 G 8.54 4.04 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 0.00 0.00 0.00 37 P 0.00 4.50 0.00 2.30 2.16 0.00 4.05 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 38 R 8.41 4.43 0.00 1.83 1.94 0.00 3.25 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 39 F 7.91 5.19 0.00 3.40 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 40 V 8.50 4.00 2.20 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 0.91 0.00 0.00 1.25 0.00 0.00 41 P 0.00 4.28 0.00 2.06 1.90 0.00 3.81 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.02 0.00 42 H 7.74 4.78 0.00 3.06 3.22 0.00 5.40 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.52 4.63 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 1.35 0.00 0.00 1.01 0.00 0.00 44 T 8.54 4.82 4.35 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 1.49 0.00 0.00 45 V 9.13 4.56 2.32 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 1.15 0.00 0.00 1.11 0.00 0.00 46 A 7.71 4.79 1.14 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 0.00 0.00 0.00 0.00 0.00 47 V 8.19 4.73 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 0.79 0.00 0.00 0.92 0.00 0.00 48 S 8.79 4.66 0.00 3.86 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 49 A 8.03 4.37 1.30 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 50 Y 8.54 4.34 0.00 2.89 2.96 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 0.00 0.00 0.00 51 L 9.11 5.26 0.00 1.64 1.46 0.98 0.63 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 52 T 10.21 5.07 4.50 0.00 0.00 0.00 0.00 0.00 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 53 A 8.96 3.96 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 54 D 8.45 4.30 0.00 2.82 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 55 E 8.06 3.88 0.00 2.19 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 2.32 0.00 56 A 7.97 3.68 0.23 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 0.00 0.00 57 K 8.16 3.84 0.00 1.77 1.92 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.60 1.52 7.81 58 K 8.17 3.84 0.00 1.92 1.83 0.00 1.70 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.44 7.81 59 M 8.38 4.02 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.59 0.00 60 F 8.52 4.33 0.00 3.08 3.11 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 61 E 8.96 3.80 0.00 1.97 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 0.00 2.32 2.54 0.00 62 S 8.06 4.01 0.00 4.08 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 63 A 7.94 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 64 C 7.72 4.00 0.00 2.79 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 65 D 8.52 4.39 0.00 2.61 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 66 G 7.84 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 67 L 7.30 4.43 0.00 1.69 1.63 0.78 0.74 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 68 K 8.22 4.71 0.00 1.80 1.81 0.00 2.12 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.36 7.81 69 A 8.63 4.53 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 70 Y 8.58 4.96 0.00 3.05 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 71 T 8.66 4.94 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 1.16 0.00 0.00 72 A 8.30 4.77 0.65 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 73 T 8.07 5.11 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 74 V 9.21 3.86 2.41 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 1.09 0.00 0.00 1.15 0.00 0.00 75 D 9.26 4.65 0.00 2.86 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 76 R 7.82 5.46 0.00 1.97 2.03 0.00 3.36 0.00 0.00 3.36 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.41 0.00 77 V 8.27 4.38 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 -0.34 0.00 0.00 0.56 0.00 0.00 78 S 8.96 4.66 0.00 3.63 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 79 T 7.52 5.21 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 1.02 0.00 0.00 80 G 8.64 4.91 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 0.00 0.00 0.00 81 T 8.89 4.73 4.37 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 1.29 0.00 0.00 82 F 7.65 5.02 0.00 3.31 3.20 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 83 F 9.15 4.05 0.00 2.84 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 84 F 7.41 3.87 0.00 2.96 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 85 Q 6.99 4.33 0.00 1.57 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.69 0.00 0.00 0.00 0.00 0.00 1.74 1.78 0.00 86 C 7.43 4.34 0.00 3.07 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 95 P 0.00 4.22 0.00 2.17 2.14 0.00 3.61 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 2.12 2.19 0.00 96 E 8.10 3.82 0.00 2.06 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 2.41 2.40 0.00 97 V 7.06 3.58 2.30 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 1.01 0.00 0.00 1.07 0.00 0.00 98 M 8.33 4.49 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.92 0.00 99 E 8.48 3.89 0.00 2.18 1.85 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 2.26 2.31 0.00 100 A 7.31 3.90 1.06 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 0.00 101 G 7.16 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 0.00 0.00 0.00 102 E 7.12 4.51 0.00 1.80 1.76 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 2.24 2.19 0.00 103 H 8.02 4.87 0.00 3.05 3.20 0.00 5.70 0.00 0.00 0.00 0.00 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 C 8.22 4.45 0.00 2.93 2.99 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 0.00 105 K 8.64 4.12 0.00 1.90 1.84 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.27 7.81 106 N 8.63 4.13 0.00 2.63 2.68 0.00 0.00 6.96 7.89 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 0.00 107 H 8.15 4.73 0.00 2.80 2.98 0.00 5.76 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 F 7.83 4.57 0.00 2.97 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 0.00 109 N 8.68 4.93 0.00 2.68 2.76 0.00 0.00 6.96 7.65 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 0.00 110 C 9.02 4.47 0.00 3.03 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 S 7.76 3.37 0.00 4.15 4.17 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 *116 Y 7.51 4.50 0.00 2.95 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 0.00 117 M 8.04 4.27 0.00 1.87 1.88 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 118 P 0.00 4.15 0.00 2.10 1.76 0.00 3.51 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.85 0.00 119 H 8.43 5.24 0.00 3.43 3.41 0.00 5.39 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 L 8.90 4.79 0.00 1.56 1.40 0.49 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 121 S 8.57 4.50 0.00 3.90 3.90 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 0.00 122 L 8.78 4.31 0.00 1.59 1.57 0.73 0.62 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 0.00 123 L 7.63 4.76 0.00 1.59 1.32 0.97 0.76 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 0.00 124 Y 7.94 4.63 0.00 2.39 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 7.35 4.30 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 0.00 126 E 9.22 4.40 0.00 2.04 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 2.34 2.58 0.00 127 L 7.98 4.95 0.00 1.58 1.57 0.98 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 128 T 8.50 4.23 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 129 E 8.74 3.88 0.00 2.11 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 2.39 2.45 0.00 130 E 8.10 3.89 0.00 2.09 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 2.42 2.43 0.00 131 E 8.24 4.09 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.47 0.00 132 K 8.25 3.72 0.00 2.03 1.79 0.00 1.68 0.00 0.00 1.57 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.39 7.81 133 K 7.99 3.75 0.00 1.96 1.90 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 134 N 8.48 4.32 0.00 3.07 3.05 0.00 0.00 6.96 8.11 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 0.00 135 A 7.91 3.30 0.34 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 0.00 136 Q 8.02 3.70 0.00 1.97 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.27 0.00 137 E 8.42 4.08 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 2.36 2.50 0.00 138 K 8.55 4.03 0.00 1.96 2.01 0.00 1.57 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.74 1.57 7.81 139 A 7.79 3.88 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 Y 7.61 4.28 0.00 3.23 2.89 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 0.00 141 T 7.56 4.12 4.44 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 1.24 0.00 0.00 142 L 8.10 4.44 0.00 1.80 1.71 0.98 1.02 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 0.00 143 D 7.62 4.60 0.00 2.61 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 S 8.70 4.54 0.00 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 0.00 145 S 8.16 4.58 0.00 4.03 4.02 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 0.00 146 L 7.93 4.12 0.00 1.84 1.80 0.77 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 147 D 8.24 4.68 0.00 2.87 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 0.00 148 G 9.25 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 L 7.97 4.10 0.00 2.08 1.75 0.98 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 150 S 8.80 5.58 0.00 3.83 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 0.00 151 F 8.68 5.06 0.00 3.22 3.11 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 0.00 152 R 8.74 4.62 0.00 1.97 2.03 0.00 3.29 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 153 L 8.55 5.04 0.00 0.40 1.15 0.49 0.37 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 0.00 154 N 8.62 4.95 0.00 2.68 2.94 0.00 0.00 6.37 8.76 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 0.00 155 R 7.94 5.18 0.00 1.84 1.95 0.00 3.14 0.00 0.00 3.39 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.71 0.00 156 L 9.16 5.59 0.00 1.74 1.91 0.91 1.10 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 0.00 157 A 9.57 5.24 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 L 8.29 4.18 0.00 0.27 0.60 0.62 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 159 C 8.75 4.97 0.00 1.91 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 0.00 0.00 0.00 160 K 8.42 4.26 0.00 1.37 1.36 0.00 1.20 0.00 0.00 1.62 0.00 0.00 2.64 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.35 0.82 7.81 161 T 7.72 3.47 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 -0.22 0.00 0.00 162 D 8.52 4.37 0.00 2.75 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 0.00 163 T 8.31 3.54 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 1.17 0.00 0.00 164 E 8.49 4.60 0.00 2.15 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 2.32 2.25 0.00 165 D 8.73 4.70 0.00 2.74 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 0.00 166 K 8.05 3.47 0.00 1.26 0.74 0.00 1.26 0.00 0.00 0.61 0.00 0.00 2.86 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.70 1.11 7.81 167 T 7.86 3.99 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 1.16 0.00 0.00 168 L 8.26 3.19 0.00 1.78 1.75 0.19 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 169 E 7.92 3.96 0.00 1.99 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 2.35 2.43 0.00 170 T 8.21 4.28 4.31 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 1.33 0.00 0.00 171 W 8.39 4.63 0.00 3.44 3.26 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 0.00 172 E 8.86 4.72 0.00 1.97 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 2.07 2.13 0.00 173 T 8.47 4.16 4.02 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 1.21 0.00 0.00 174 V 8.60 4.04 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 0.76 0.00 0.00 0.90 0.00 0.00 175 A 7.21 4.69 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 V 8.36 5.29 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 1.00 0.00 0.00 0.98 0.00 0.00 177 C 9.21 5.06 0.00 2.93 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 0.00 178 N 8.73 5.10 0.00 2.64 2.80 0.00 0.00 6.93 7.85 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 0.00 179 L 8.35 4.61 0.00 1.58 1.70 1.07 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 180 N 8.66 4.74 0.00 2.68 2.73 0.00 0.00 6.90 8.03 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 0.00 181 P 0.00 4.76 0.00 2.19 2.06 0.00 3.72 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 182 G 8.40 3.95 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 0.00 0.00 0.00 183 S 7.39 4.25 0.00 3.91 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 * Residues marked with a * may have inaccurate shift predictions.