NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.2674 8.1844 122.4913 55.0046 43.2743 175.7904 3 E 4.0642 8.5398 119.8314 57.4288 30.0260 175.1925 4 S 4.3583 7.6697 114.7897 57.6512 65.2149 173.1846 5 P 4.6159 0.0000 0.0000 61.6459 28.0263 176.7120 6 L 4.0443 7.7126 123.8486 59.0113 42.6393 178.1740 7 G 3.6101 8.0064 105.3909 47.6833 0.0000 175.6591 8 S 4.2898 8.0146 115.9842 60.7383 63.3137 176.1009 9 D 4.3690 8.0860 122.8109 57.5065 40.6608 178.7592 10 L 4.0428 8.1082 119.0814 57.6253 41.5891 179.6018 11 A 3.9679 7.9961 120.8006 55.0349 18.3030 179.2758 12 R 3.8594 8.0156 117.3986 59.7676 30.0708 178.1871 13 L 4.0253 7.8998 119.6848 58.4346 42.1259 179.2132 14 V 3.7365 8.0370 118.0480 65.8269 31.4001 178.3337 15 R 3.9809 8.1440 118.2407 59.2972 30.1394 179.1250 16 I 3.8845 8.2474 113.0371 63.3940 37.4559 178.0153 17 W 4.2603 8.3696 130.6077 60.2860 30.6075 178.0195 18 R 4.3031 8.4888 118.5574 59.4827 29.4911 178.4225 19 A 4.3681 8.1057 122.0884 54.2265 18.4476 179.0944 20 L 3.9225 7.9443 118.7126 58.7381 42.2715 179.3840 21 I 3.6374 7.9350 119.4270 64.4556 37.0261 178.2538 22 D 4.6112 8.4613 119.9534 57.5320 40.7237 178.0724 23 H 4.2328 8.4181 118.7092 59.5818 29.7613 177.5764 24 R 3.9620 7.9301 118.3485 58.3515 30.1387 178.0103 25 L 4.4816 7.3029 116.6504 54.4016 41.5851 178.1258 26 K 4.0130 7.9093 122.4921 58.9652 31.9170 176.8396 27 P 4.3372 0.0000 0.0000 65.6783 31.4752 177.6241 28 L 4.1356 7.9578 115.1441 54.8872 42.2537 176.7774 29 E 4.0546 8.9506 118.1717 56.9269 28.9980 175.6344 30 L 4.4286 7.2819 118.9974 55.0075 43.2607 178.2972 31 T 4.2901 8.2578 117.2579 61.1129 69.5075 174.8963 32 Q 3.4903 8.6354 124.7337 59.8023 28.8545 179.2076 33 T 3.6618 7.6341 115.7414 66.6918 68.4423 176.2781 34 H 4.1245 8.1415 117.8578 58.7547 28.8664 177.7972 35 W 4.3056 8.3435 118.6395 59.4631 28.0481 178.4278 36 V 3.3069 7.2932 119.4051 66.0283 30.7892 178.2493 37 T 3.9048 7.8118 115.3236 66.4789 68.4129 176.9847 38 L 4.0272 8.2534 121.2415 57.9733 41.5830 178.8850 39 H 4.4983 8.9654 119.8035 58.9318 29.7480 176.8824 40 N 4.2570 8.2304 118.0395 56.4247 38.1425 177.4216 41 I 3.6886 7.9605 120.3940 64.6882 37.2927 177.5696 42 H 4.2842 8.5918 118.4265 59.1383 29.8093 176.6707 43 Q 4.1252 8.1221 117.2075 56.6537 29.1438 176.2780 44 L 4.2510 6.8564 120.6568 53.4914 42.4671 175.0027 45 P 4.4303 0.0000 0.0000 61.6073 31.9350 174.7639 46 P 4.2806 0.0000 0.0000 63.7383 31.8061 176.2874 47 D 4.4742 8.2620 114.5136 54.5273 37.8501 172.2693 48 Q 4.5558 7.6715 119.8089 54.1147 30.7277 175.9148 49 S 4.6571 8.9383 117.8601 58.9574 64.6810 175.6634 50 Q 3.8211 8.6564 124.8019 59.7955 29.0265 180.1006 51 I 3.7946 7.6618 120.1487 64.2566 37.2573 178.2663 52 Q 3.9912 7.8279 119.0235 58.6408 28.4848 178.4561 53 L 3.8741 7.8767 121.0216 58.2479 42.1374 178.8203 54 A 3.9695 8.2553 120.9743 55.2020 18.2942 179.8298 55 K 3.9016 8.0315 116.4315 59.5505 31.9386 179.5420 56 A 4.0417 8.1899 120.4431 55.0500 18.3081 179.4238 57 I 3.8718 7.7344 118.0624 62.0047 37.4792 176.3553 58 G 3.7346 8.0410 106.5781 46.5199 0.0000 172.4942 59 I 4.6671 7.8355 111.4513 58.7287 41.4188 173.8858 60 E 4.5802 8.2335 118.9548 54.8918 31.2157 177.3216 61 Q 4.0009 8.8291 121.7992 59.1076 28.6568 178.0680 62 P 4.3279 0.0000 0.0000 65.2875 30.6098 178.8460 63 S 4.1110 8.0159 113.2352 61.2334 63.0062 176.1286 64 L 4.1521 7.8697 124.0185 58.0046 41.6772 179.2735 65 V 3.6208 7.4885 118.5285 65.7547 31.4561 178.1402 66 R 3.9149 7.5008 116.4476 59.6423 29.2676 179.1256 67 T 4.0168 7.7582 115.8408 66.4112 68.6269 176.5549 68 L 3.9843 7.9487 120.8691 57.8190 41.5056 179.3181 69 D 4.3641 8.2804 118.8569 57.5745 40.7004 178.6520 70 Q 4.1707 7.9942 119.6835 58.4853 28.8058 178.6950 71 L 3.8308 7.7344 119.4021 58.2740 41.7017 179.5516 72 E 4.2350 8.1679 120.2105 58.5194 29.0926 178.3482 73 D 4.3831 8.2786 119.3328 57.1300 40.7409 177.9084 74 K 4.3713 8.1402 116.9094 56.1527 32.3160 177.2532 75 G 3.9463 7.8018 105.6854 46.5806 0.0000 174.8678 76 L 4.2742 7.9941 121.2664 56.8972 42.7619 177.0504 77 I 5.1331 7.6023 118.9305 59.6143 41.9431 174.0243 78 S 5.0795 9.4673 120.6113 56.5891 65.9681 173.0438 79 R 5.6875 8.6856 120.7794 53.4789 33.0942 176.2666 80 Q 4.3523 8.1792 121.4025 55.4074 30.3342 174.5444 *89 K 4.3683 8.0257 118.0755 56.6268 33.2878 175.2654 90 R 5.1612 8.3977 123.8540 54.3820 33.4924 175.1372 91 I 5.0754 8.4119 121.0986 59.5067 41.0450 174.6427 92 K 4.5753 8.8271 127.3963 54.2679 35.3409 175.4033 93 L 4.4831 8.7565 127.7940 55.3201 42.5221 177.1548 94 T 4.3072 8.4827 113.4086 60.8146 70.5517 175.5021 95 E 4.3417 8.9369 122.8101 59.0660 29.1858 179.7846 96 K 3.9596 7.4799 118.0580 58.8298 32.5567 177.9501 97 A 4.3244 7.7813 119.5692 53.1539 18.5629 178.8755 98 E 3.8775 7.7765 118.0608 59.3696 29.6360 177.7638 99 P 4.3476 0.0000 0.0000 65.2861 31.3099 178.5815 100 L 3.9261 7.8132 118.8610 58.0653 42.1551 178.6569 101 I 3.6574 8.2640 119.9101 64.4815 37.1023 178.2143 102 A 3.9239 8.0941 121.3854 55.2402 18.2323 179.3238 103 E 3.8651 8.1671 117.8480 59.3203 29.5850 178.5775 104 M 3.8684 8.1922 118.4326 58.8822 31.8521 178.0464 105 E 3.9184 8.7119 118.8560 59.3713 29.5703 179.1746 106 E 3.9342 8.1409 119.4186 59.2142 29.7105 179.0663 107 V 3.5606 7.7584 118.3556 65.8499 31.4734 177.9823 108 I 3.5507 7.8067 119.6644 64.6256 37.0079 177.4932 109 H 4.0420 8.4655 119.3171 59.5456 29.6467 177.0497 110 K 3.9799 8.1535 121.0144 59.7963 31.9440 178.9047 111 T 3.8228 8.3675 116.5580 66.4547 68.3283 176.6028 112 R 4.0124 8.4264 121.0450 59.3016 29.9383 178.5878 113 G 3.6917 7.7614 104.2441 48.1929 0.0000 175.1946 114 E 4.0729 8.0695 121.1512 58.9308 29.1755 179.5627 115 I 3.6051 7.6250 119.5543 63.5703 37.4694 177.4385 116 L 4.4691 7.8387 117.5857 53.3009 41.5717 175.8803 117 A 3.9380 6.8810 121.7855 54.5459 18.2885 177.7340 118 G 3.9291 9.1562 110.5804 45.7563 0.0000 172.2829 119 I 4.5110 7.2726 119.2608 58.8914 39.8134 176.3294 120 S 4.5593 8.5255 119.6849 57.5191 65.4286 175.5261 121 S 4.1531 8.6615 118.7706 61.9148 62.4640 176.6031 122 E 3.9911 8.1012 120.4665 58.9167 29.6970 178.3936 123 E 3.9370 8.2160 120.3536 59.2253 29.6287 178.9117 124 I 3.8550 7.7861 119.9664 64.0121 37.2852 177.9435 125 E 3.9352 8.5361 120.7321 59.1497 29.4158 178.6597 126 L 3.9525 8.1259 120.4770 57.8405 42.0939 178.3584 127 L 3.9451 7.8417 120.3143 58.5868 42.0625 179.1055 128 I 3.7431 7.9064 119.3753 64.4564 37.1112 178.6759 129 K 4.0465 7.9798 119.0785 59.1165 31.7936 179.2190 130 L 3.9542 8.3513 121.1679 58.0962 41.9457 178.8207 131 I 3.6617 8.1463 120.0061 64.5052 37.0538 177.8853 132 A 3.9970 7.7805 120.7320 55.3947 18.1668 179.9306 133 K 3.9445 7.9781 116.4640 59.4495 32.0765 179.5017 134 L 3.9824 8.2336 119.6398 58.0271 41.5280 179.4944 135 E 3.9431 8.3910 118.4628 59.6073 29.3865 178.8727 136 H 4.0814 8.4262 118.2839 59.3430 29.7087 176.8625 137 N 4.2801 8.3652 117.3029 56.4888 38.6296 177.0106 138 I 3.8416 7.8019 121.0050 64.6765 36.9915 178.4841 139 M 3.9772 8.0680 118.3387 58.5003 31.9581 178.0370 140 E 3.8294 7.5821 117.9085 57.6212 29.6298 176.7048 141 L 4.1276 7.8650 122.7201 54.9428 42.1331 173.8848 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 L 8.18 4.27 0.00 1.63 1.68 0.93 0.60 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 3 E 8.54 4.06 0.00 2.05 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 2.25 2.40 0.00 4 S 7.67 4.36 0.00 3.91 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 5 P 0.00 4.62 0.00 2.27 2.22 0.00 3.71 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 2.22 2.02 0.00 6 L 7.71 4.04 0.00 1.78 1.72 0.94 1.00 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 7 G 8.01 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 S 8.01 4.29 0.00 4.07 4.14 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 9 D 8.09 4.37 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 10 L 8.11 4.04 0.00 1.88 1.74 0.97 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 11 A 8.00 3.97 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.02 3.86 0.00 2.04 2.15 0.00 3.13 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 13 L 7.90 4.03 0.00 1.91 1.95 1.11 1.12 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 14 V 8.04 3.74 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 0.95 0.00 0.00 0.89 0.00 0.00 15 R 8.14 3.98 0.00 2.10 2.00 0.00 3.20 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 16 I 8.25 3.88 1.92 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 1.79 0.68 0.97 0.00 0.00 17 W 8.37 4.26 0.00 3.62 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 18 R 8.49 4.30 0.00 2.25 2.20 0.00 2.86 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.96 0.00 19 A 8.11 4.37 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.94 3.92 0.00 1.83 1.93 0.90 0.90 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 21 I 7.93 3.64 2.01 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 1.49 1.17 -0.44 0.00 0.00 22 D 8.46 4.61 0.00 3.04 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 23 H 8.42 4.23 0.00 3.22 3.53 0.00 5.60 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 R 7.93 3.96 0.00 1.75 1.93 0.00 3.16 0.00 0.00 3.19 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.94 0.00 25 L 7.30 4.48 0.00 1.54 1.56 0.03 0.24 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 26 K 7.91 4.01 0.00 2.12 1.77 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.51 7.81 27 P 0.00 4.34 0.00 2.03 2.10 0.00 3.59 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 1.98 2.16 0.00 28 L 7.96 4.14 0.00 1.88 1.70 0.88 1.10 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 29 E 8.95 4.05 0.00 2.17 2.23 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 2.26 2.28 0.00 30 L 7.28 4.43 0.00 1.94 1.90 0.98 0.90 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 31 T 8.26 4.29 4.18 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 1.04 0.00 0.00 32 Q 8.64 3.49 0.00 2.10 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.69 0.00 0.00 0.00 0.00 0.00 1.98 2.93 0.00 33 T 7.63 3.66 4.20 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 1.21 0.00 0.00 34 H 8.14 4.12 0.00 3.38 3.40 0.00 5.64 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 W 8.34 4.31 0.00 3.47 3.32 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 0.00 36 V 7.29 3.31 1.69 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 0.81 0.00 0.00 -0.44 0.00 0.00 37 T 7.81 3.90 4.33 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 1.18 0.00 0.00 38 L 8.25 4.03 0.00 1.99 1.80 1.00 1.20 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 39 H 8.97 4.50 0.00 3.52 3.74 0.00 5.83 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 N 8.23 4.26 0.00 3.08 2.83 0.00 0.00 7.10 6.85 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 41 I 7.96 3.69 2.02 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 1.41 0.62 0.92 0.00 0.00 42 H 8.59 4.28 0.00 3.10 3.58 0.00 5.94 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.12 4.13 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.72 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 44 L 6.86 4.25 0.00 1.75 1.62 0.90 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.43 0.00 2.02 1.97 0.00 3.68 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 46 P 0.00 4.28 0.00 2.03 2.00 0.00 3.81 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 2.02 2.11 0.00 47 D 8.26 4.47 0.00 2.74 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 48 Q 7.67 4.56 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.99 0.00 0.00 0.00 0.00 0.00 2.47 2.27 0.00 49 S 8.94 4.66 0.00 4.08 4.01 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 50 Q 8.66 3.82 0.00 2.13 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.86 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 51 I 7.66 3.79 1.86 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 1.63 0.97 0.90 0.00 0.00 52 Q 7.83 3.99 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 53 L 7.88 3.87 0.00 1.77 1.81 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.26 3.97 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 55 K 8.03 3.90 0.00 2.06 1.85 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.66 7.81 56 A 8.19 4.04 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 57 I 7.73 3.87 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.61 0.85 0.00 0.00 58 G 8.04 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.84 4.67 1.84 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 1.26 0.74 0.87 0.00 0.00 60 E 8.23 4.58 0.00 1.99 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 2.31 2.24 0.00 61 Q 8.83 4.00 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.90 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 62 P 0.00 4.33 0.00 2.14 2.09 0.00 3.60 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 63 S 8.02 4.11 0.00 4.06 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 64 L 7.87 4.15 0.00 1.77 1.89 0.89 0.85 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 65 V 7.49 3.62 2.22 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 0.99 0.00 0.00 0.92 0.00 0.00 66 R 7.50 3.91 0.00 2.27 2.17 0.00 2.82 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.77 0.00 67 T 7.76 4.02 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 1.17 0.00 0.00 68 L 7.95 3.98 0.00 1.83 1.70 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 69 D 8.28 4.36 0.00 2.94 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 70 Q 7.99 4.17 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.65 0.00 0.00 0.00 0.00 0.00 2.40 2.62 0.00 71 L 7.73 3.83 0.00 1.85 1.73 0.87 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.17 4.24 0.00 2.12 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 2.30 2.37 0.00 73 D 8.28 4.38 0.00 2.88 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 74 K 8.14 4.37 0.00 1.76 1.83 0.00 1.89 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.46 7.81 75 G 7.80 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 76 L 7.99 4.27 0.00 1.76 1.74 0.95 0.57 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 77 I 7.60 5.13 1.86 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 1.40 1.40 0.90 0.00 0.00 78 S 9.47 5.08 0.00 3.79 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 R 8.69 5.69 0.00 1.69 1.83 0.00 3.09 0.00 0.00 3.07 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.40 0.00 80 Q 8.18 4.35 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.68 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 *89 K 8.03 4.37 0.00 1.73 1.82 0.00 1.63 0.00 0.00 1.81 0.00 0.00 2.82 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.48 7.81 90 R 8.40 5.16 0.00 1.66 1.81 0.00 3.22 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 91 I 8.41 5.08 1.97 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 1.10 1.28 0.91 0.00 0.00 92 K 8.83 4.58 0.00 1.79 1.59 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.39 7.81 93 L 8.76 4.48 0.00 1.59 1.61 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 94 T 8.48 4.31 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 1.27 0.00 0.00 95 E 8.94 4.34 0.00 2.03 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 2.41 2.25 0.00 96 K 7.48 3.96 0.00 1.90 1.85 0.00 1.80 0.00 0.00 1.89 0.00 0.00 3.15 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.46 7.81 97 A 7.78 4.32 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 98 E 7.78 3.88 0.00 2.11 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 2.35 2.59 0.00 99 P 0.00 4.35 0.00 2.15 2.10 0.00 3.75 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 2.11 2.14 0.00 100 L 7.81 3.93 0.00 1.76 1.88 0.94 1.09 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 0.00 101 I 8.26 3.66 2.01 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 1.69 0.82 0.85 0.00 0.00 102 A 8.09 3.92 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 0.00 103 E 8.17 3.87 0.00 2.09 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 2.28 2.32 0.00 104 M 8.19 3.87 0.00 2.24 2.09 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 105 E 8.71 3.92 0.00 2.10 1.97 0.00 0.00 0.00 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 2.17 0.00 106 E 8.14 3.93 0.00 2.14 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 2.29 2.34 0.00 107 V 7.76 3.56 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 0.92 0.00 0.00 108 I 7.81 3.55 1.90 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 1.01 0.30 0.84 0.00 0.00 109 H 8.47 4.04 0.00 3.29 3.49 0.00 5.59 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 0.00 110 K 8.15 3.98 0.00 2.02 1.97 0.00 1.57 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.62 7.81 111 T 8.37 3.82 4.42 0.00 0.00 0.00 0.00 0.00 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 0.00 112 R 8.43 4.01 0.00 2.09 2.16 0.00 3.14 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.91 0.00 113 G 7.76 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 0.00 114 E 8.07 4.07 0.00 1.96 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 2.28 2.38 0.00 115 I 7.63 3.61 1.38 0.00 0.00 -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 0.95 0.16 -0.05 0.00 0.00 116 L 7.84 4.47 0.00 1.76 1.67 0.98 0.88 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 0.00 117 A 6.88 3.94 1.25 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 0.00 0.00 0.00 118 G 9.16 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 I 7.27 4.51 2.01 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.69 0.97 0.00 0.00 120 S 8.53 4.56 0.00 4.09 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 0.00 121 S 8.66 4.15 0.00 4.08 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 0.00 122 E 8.10 3.99 0.00 2.19 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 0.00 2.36 2.31 0.00 123 E 8.22 3.94 0.00 2.15 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 2.36 0.00 124 I 7.79 3.85 2.02 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 1.59 0.75 0.96 0.00 0.00 125 E 8.54 3.94 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 126 L 8.13 3.95 0.00 1.77 1.66 0.93 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 127 L 7.84 3.95 0.00 1.98 1.90 0.96 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 128 I 7.91 3.74 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 1.55 0.96 0.92 0.00 0.00 129 K 7.98 4.05 0.00 1.81 1.85 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.61 1.59 7.81 130 L 8.35 3.95 0.00 1.98 1.89 0.93 0.86 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 0.00 131 I 8.15 3.66 2.03 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 1.47 0.64 0.91 0.00 0.00 132 A 7.78 4.00 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 0.00 133 K 7.98 3.94 0.00 1.99 1.88 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.47 7.81 134 L 8.23 3.98 0.00 1.86 1.73 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.39 3.94 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 2.52 0.00 136 H 8.43 4.08 0.00 3.19 3.45 0.00 5.60 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 N 8.37 4.28 0.00 2.84 2.88 0.00 0.00 7.12 7.27 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 0.00 138 I 7.80 3.84 2.00 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 1.51 0.71 0.90 0.00 0.00 139 M 8.07 3.98 0.00 1.93 2.07 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.79 0.00 140 E 7.58 3.83 0.00 1.80 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 2.30 2.35 0.00 141 L 7.86 4.13 0.00 1.82 1.78 0.91 1.12 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 * Residues marked with a * may have inaccurate shift predictions.