NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.8581 8.2127 108.0309 46.0410 0.0000 174.4471 *2 E 4.3647 9.1131 120.2159 55.8793 31.9857 174.3493 3 V 4.1676 8.4415 126.4695 62.3116 32.6474 175.3632 4 N 4.1050 8.3767 124.9060 53.2529 36.4585 175.6848 5 Q 4.0118 7.8856 116.5796 55.8411 30.2734 175.2596 6 P 4.1829 0.0000 0.0000 65.8312 31.4748 178.5001 7 D 4.3610 8.0322 117.1771 57.3960 40.7898 178.7831 8 I 3.8233 7.6117 119.8741 64.2102 37.2426 178.2966 9 V 3.3426 7.9165 119.0848 65.8846 31.2868 177.9754 10 A 3.8825 7.8267 120.3193 55.0893 18.2374 179.5501 11 Q 3.8204 7.9376 116.5120 59.1748 28.8560 179.4190 12 V 2.4890 7.1277 118.9707 65.5203 31.3790 177.9072 13 Q 3.8624 8.0755 118.0057 58.8646 28.5351 178.8398 14 A 3.9004 7.8652 121.3149 55.1183 18.4043 179.6130 15 A 3.9051 7.6819 119.2299 55.0868 18.4269 179.5306 16 F 4.1991 8.0689 119.4905 61.6553 39.4825 177.5815 17 V 3.3106 7.8821 117.4410 65.3275 31.2748 177.6189 18 E 3.9386 8.1764 119.6173 59.1938 29.4575 178.0676 19 Y 4.0972 8.2476 119.7925 60.7676 38.8923 177.7917 20 E 3.8249 8.0520 119.4991 59.2104 29.4302 179.2672 21 R 3.7310 7.9619 118.3655 59.4209 30.1996 178.1203 22 A 3.8887 7.8340 120.3914 55.2552 18.2459 179.5010 23 L 3.6600 7.9199 117.4315 58.0265 41.5213 180.0228 24 V 3.5462 7.7831 116.9576 65.7459 31.5821 177.0268 25 E 4.1761 8.3332 115.5105 55.2884 30.3736 175.6218 26 N 3.9339 7.6233 117.2589 54.4837 37.8367 175.6556 27 D 4.6001 8.1480 117.7412 52.6289 40.3019 175.2867 28 I 3.7843 8.0127 124.9223 63.8571 37.8838 177.3492 29 E 4.0132 8.3075 120.3840 59.2754 29.9054 178.7693 30 A 4.1136 7.9094 119.9110 52.7016 17.7778 178.8114 *32 N 4.8525 8.2969 118.9706 54.8880 40.5685 176.9814 33 A 4.0721 8.1964 120.1700 54.6475 18.6932 177.8386 34 L 4.8057 7.9585 112.4834 54.6026 43.1687 175.9237 35 F 4.8995 7.9454 122.2492 55.4578 41.3974 174.9575 36 W 4.4768 9.1142 135.0000 58.4516 31.0633 175.5677 37 H 5.0208 8.8178 126.7464 54.1432 28.7436 172.0832 38 T 4.4228 7.8230 111.9965 58.5682 72.3487 174.0530 39 P 4.1071 0.0000 0.0000 65.3085 31.4319 177.7129 40 E 4.1381 7.1255 115.1874 58.0801 29.9187 177.2729 41 T 4.2634 7.2846 116.5192 63.6570 70.0563 173.3691 42 V 4.7608 8.1605 121.5952 61.0202 35.1347 174.1112 43 R 4.9368 8.8455 127.3556 54.8224 33.2615 173.2516 44 Y 4.9181 8.8573 125.1110 56.8954 39.5527 175.5854 45 G 4.4833 8.4878 113.6699 43.8183 0.0000 172.6984 46 I 4.0097 8.6258 119.3389 64.0650 37.1065 177.2161 47 A 4.7675 7.9323 119.6416 51.1126 20.0780 174.7700 48 E 4.6621 7.6568 115.1895 56.6192 32.2319 173.7501 49 V 4.9105 7.9989 118.5482 61.2918 34.5704 174.4764 50 Q 4.5236 9.1375 126.0712 54.3872 32.5282 173.7316 51 H 4.8859 9.2029 121.0742 55.6764 31.0029 174.8867 52 G 3.8641 9.8003 112.0594 45.6207 0.0000 174.2121 53 G 3.7152 8.6216 109.4075 47.8591 0.0000 176.0946 54 E 4.0168 8.0096 119.8491 59.2116 29.5166 179.0689 55 A 4.0367 7.8987 120.3312 55.1123 18.5371 179.5240 56 I 3.6688 7.5826 117.7992 64.7587 36.9407 178.9337 57 R 3.9488 8.4039 118.9575 59.1825 29.6323 179.0426 58 A 4.0140 7.9583 119.8019 54.7280 18.6599 179.1861 59 W 4.2212 8.5336 127.0746 60.8103 30.6255 178.2630 60 R 3.1863 7.9440 116.6227 59.3123 29.5222 178.6280 61 E 4.0349 7.7240 117.1957 58.0709 29.5009 177.7354 62 R 4.4352 7.3599 112.9195 55.6183 31.2132 175.9486 63 C 4.1759 7.1768 113.1050 57.1611 30.4457 172.7976 64 E 3.9838 8.3644 122.2785 55.1957 29.8084 175.0305 65 P 4.3912 0.0000 0.0000 62.2387 32.1413 176.4868 66 V 3.8083 7.9480 112.7239 60.4080 32.3682 174.6832 67 P 4.4092 0.0000 0.0000 62.6138 31.7205 177.7902 68 K 3.9796 8.6454 120.9915 59.4770 32.1179 178.0348 69 S 4.3870 7.9673 110.5583 58.5042 63.1885 173.9966 70 R 4.2485 7.6496 122.4899 57.3248 30.3975 175.6147 71 K 4.6452 9.3367 127.0527 54.6613 35.4801 175.0928 72 L 5.0148 8.6130 126.9175 54.7527 43.1305 175.8333 73 H 4.8607 9.0330 118.4765 54.4384 33.2945 173.4687 74 R 3.8950 8.4859 118.5956 57.7154 27.3988 176.9896 75 T 4.3704 7.6414 112.8519 63.3605 69.9760 176.1153 76 V 4.2429 9.0713 126.8155 60.9941 34.1753 174.1354 77 V 4.5060 8.2920 127.9601 61.4181 33.2231 174.6861 78 T 4.7521 8.8069 125.0191 61.7932 71.5152 173.1934 79 T 4.8846 8.5579 116.0134 59.7415 72.4893 173.2176 80 F 4.9044 9.2144 121.9129 56.1647 41.9770 174.6862 81 G 3.9384 9.3881 114.9211 46.3803 0.0000 174.1628 82 T 4.5640 8.6592 110.8691 61.9159 70.0263 174.7926 83 D 4.6892 8.1649 120.1520 53.7259 43.4715 174.6859 84 F 5.7828 8.4976 120.1064 57.0500 43.5387 173.0226 85 A 5.1380 8.2542 123.9274 51.4618 23.1909 175.1511 86 T 5.0368 9.0142 109.8516 59.8270 72.0572 173.1631 87 V 4.5997 8.8575 124.3971 61.2182 34.0351 174.6417 88 S 5.0252 8.8339 124.1394 57.0446 65.7370 173.2369 89 T 4.9674 9.2258 118.7538 60.6210 71.3621 172.5854 90 E 5.2193 8.8821 125.8503 55.5139 32.3564 174.8753 91 F 5.6755 8.5271 114.7566 56.2958 41.6330 173.1914 92 T 5.2278 9.0460 110.9510 60.5050 72.6642 172.1108 93 S 5.0568 8.2353 115.0612 57.9017 65.3262 174.5665 94 D 4.4795 9.2734 119.7141 56.1943 40.6496 177.7786 95 A 4.2988 7.6882 120.8627 53.6412 18.9605 177.1971 96 T 4.6833 7.3708 108.7898 60.0615 70.2089 171.6328 97 P 4.5013 0.0000 0.0000 63.8695 32.0483 176.3537 98 L 4.3879 7.5916 119.4666 54.4280 42.8565 176.0108 99 L 4.2240 8.8827 124.3899 54.2419 43.4724 175.7919 100 G 3.0192 8.4172 114.0806 44.6392 0.0000 172.6623 101 R 5.2223 8.7222 121.4039 54.3096 34.3656 174.3773 102 Q 5.5219 9.2629 123.2189 53.6373 33.8422 173.1260 *104 Q 4.4657 8.3995 117.8018 56.0728 30.5763 174.6161 105 T 4.7728 8.4469 120.2972 61.8181 70.6087 173.7120 106 W 5.1771 9.1676 126.1465 54.9596 32.4374 174.7013 107 A 5.2256 9.2373 123.9301 50.6347 22.8114 175.3573 108 R 4.3974 8.2177 121.2663 53.8405 30.0253 175.7660 109 L 4.1782 8.3231 126.6954 56.1173 42.6750 177.1769 110 S 4.5882 7.4159 111.6401 56.0627 65.6150 173.2867 111 P 4.1074 0.0000 0.0000 65.9840 30.9744 177.6164 112 A 4.1437 7.9965 120.4879 54.8909 18.5037 178.3281 113 D 4.3454 8.0708 115.1485 55.3473 40.8605 178.0936 114 G 3.8766 7.7808 107.7463 44.1535 0.0000 172.1720 115 W 4.5700 8.6501 118.4863 56.7391 29.8403 175.8261 116 K 4.9414 9.2093 121.0681 54.7721 36.9424 175.3929 117 I 3.3153 7.7555 124.0018 60.8086 36.9720 177.0505 118 V 4.4891 8.3424 120.5154 62.1529 33.3028 175.7655 119 A 5.0067 7.2595 120.3023 50.7965 22.5268 175.0151 120 A 4.8966 8.7398 121.2978 50.6450 23.4052 174.7103 121 H 5.4214 8.8739 119.3774 54.4947 33.3213 172.1494 122 V 5.0644 9.2553 125.9083 61.3235 34.1615 174.5706 123 S 4.8652 9.2697 120.7545 57.1294 66.9311 172.5429 124 L 5.3331 8.4927 120.0501 53.0281 44.4210 175.9014 125 I 4.6711 8.6134 114.8069 59.6236 41.6970 178.1750 126 A 4.2048 8.9528 126.0097 53.1190 17.1972 176.1042 *128 P 4.1833 0.0000 0.0000 62.9582 31.8043 176.2533 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 0 G 8.21 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 E 9.11 4.36 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 2.27 2.33 0.00 3 V 8.44 4.17 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 0.66 0.00 0.00 1.02 0.00 0.00 4 N 8.38 4.10 0.00 2.81 2.78 0.00 0.00 6.97 7.20 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 5 Q 7.89 4.01 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.87 0.00 0.00 0.00 0.00 0.00 2.72 2.46 0.00 6 P 0.00 4.18 0.00 2.13 2.07 0.00 3.58 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 2.09 2.15 0.00 7 D 8.03 4.36 0.00 2.70 2.73 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 8 I 7.61 3.82 1.97 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.36 1.15 0.00 0.00 9 V 7.92 3.34 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 0.95 0.00 0.00 0.79 0.00 0.00 10 A 7.83 3.88 1.35 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 0.00 0.00 11 Q 7.94 3.82 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.45 2.58 0.00 12 V 7.13 2.49 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 -0.08 0.00 0.00 -0.62 0.00 0.00 13 Q 8.08 3.86 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 14 A 7.87 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 7.68 3.91 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 16 F 8.07 4.20 0.00 2.62 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.88 3.31 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 0.87 0.00 0.00 0.94 0.00 0.00 18 E 8.18 3.94 0.00 2.16 2.24 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 2.39 2.47 0.00 19 Y 8.25 4.10 0.00 3.55 3.25 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 20 E 8.05 3.82 0.00 1.93 1.80 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 1.56 1.91 0.00 21 R 7.96 3.73 0.00 1.82 2.04 0.00 3.20 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 22 A 7.83 3.89 1.21 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 0.00 0.00 23 L 7.92 3.66 0.00 1.66 1.59 0.99 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.78 3.55 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 0.78 0.00 0.00 0.87 0.00 0.00 25 E 8.33 4.18 0.00 1.88 1.92 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 2.27 2.42 0.00 26 N 7.62 3.93 0.00 2.71 2.72 0.00 0.00 7.02 8.63 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 27 D 8.15 4.60 0.00 2.56 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 28 I 8.01 3.78 1.82 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.55 0.92 0.00 0.00 29 E 8.31 4.01 0.00 1.99 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 2.39 2.32 0.00 30 A 7.91 4.11 1.42 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 0.00 0.00 0.00 *32 N 8.30 4.85 0.00 2.96 2.94 0.00 0.00 6.89 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.20 4.07 1.44 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 34 L 7.96 4.81 0.00 2.06 1.93 1.27 1.18 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 35 F 7.95 4.90 0.00 3.12 2.92 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 36 W 9.11 4.48 0.00 3.23 3.14 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 37 H 8.82 5.02 0.00 3.18 3.19 0.00 5.94 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.82 4.42 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 39 P 0.00 4.11 0.00 1.95 2.07 0.00 3.46 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.00 0.00 40 E 7.13 4.14 0.00 1.72 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 0.00 2.40 2.31 0.00 41 T 7.28 4.26 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 1.56 0.00 0.00 42 V 8.16 4.76 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 0.34 0.00 0.00 0.96 0.00 0.00 43 R 8.85 4.94 0.00 1.86 1.64 0.00 2.83 0.00 0.00 2.89 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.58 0.00 44 Y 8.86 4.92 0.00 2.72 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 G 8.49 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 I 8.63 4.01 1.99 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.75 1.00 0.00 0.00 47 A 7.93 4.77 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 E 7.66 4.66 0.00 1.98 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 1.80 1.74 0.00 49 V 8.00 4.91 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 0.94 0.00 0.00 0.83 0.00 0.00 50 Q 9.14 4.52 0.00 1.83 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.53 0.00 0.00 0.00 0.00 0.00 2.16 2.19 0.00 51 H 9.20 4.89 0.00 2.97 3.19 0.00 5.86 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 9.80 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 8.62 3.72 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 0.00 0.00 0.00 54 E 8.01 4.02 0.00 1.99 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 2.42 2.35 0.00 55 A 7.90 4.04 1.35 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 0.00 0.00 56 I 7.58 3.67 1.93 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.80 0.59 0.00 0.00 57 R 8.40 3.95 0.00 1.87 1.98 0.00 3.05 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.86 0.00 58 A 7.96 4.01 1.42 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 0.00 0.00 0.00 59 W 8.53 4.22 0.00 3.40 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.94 3.19 0.00 1.88 1.81 0.00 3.30 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.95 0.00 61 E 7.72 4.03 0.00 2.03 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 2.51 2.42 0.00 62 R 7.36 4.44 0.00 1.83 1.94 0.00 3.09 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.45 0.00 63 C 7.18 4.18 0.00 2.70 1.78 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 64 E 8.36 3.98 0.00 1.92 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 2.30 2.35 0.00 65 P 0.00 4.39 0.00 2.16 1.96 0.00 3.77 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 66 V 7.95 3.81 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 0.70 0.00 0.00 0.88 0.00 0.00 67 P 0.00 4.41 0.00 2.24 2.21 0.00 3.71 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 2.12 2.06 0.00 68 K 8.65 3.98 0.00 1.76 1.91 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.36 7.81 69 S 7.97 4.39 0.00 4.00 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 70 R 7.65 4.25 0.00 2.01 1.87 0.00 3.01 0.00 0.00 3.04 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.51 0.00 71 K 9.34 4.65 0.00 1.82 1.62 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.20 1.37 7.81 72 L 8.61 5.01 0.00 1.61 1.67 1.06 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 73 H 9.03 4.86 0.00 3.03 3.15 0.00 5.76 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.49 3.89 0.00 2.07 1.97 0.00 3.21 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 75 T 7.64 4.37 4.24 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 1.06 0.00 0.00 76 V 9.07 4.24 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 0.89 0.00 0.00 0.95 0.00 0.00 77 V 8.29 4.51 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 0.55 0.00 0.00 0.60 0.00 0.00 78 T 8.81 4.75 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 0.76 0.00 0.00 79 T 8.56 4.88 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 0.96 0.00 0.00 80 F 9.21 4.90 0.00 3.18 3.06 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 81 G 9.39 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 0.00 0.00 0.00 82 T 8.66 4.56 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 1.26 0.00 0.00 83 D 8.16 4.69 0.00 2.58 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 84 F 8.50 5.78 0.00 3.23 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 85 A 8.25 5.14 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 86 T 9.01 5.04 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 1.28 0.00 0.00 87 V 8.86 4.60 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 -0.40 0.00 0.00 0.44 0.00 0.00 88 S 8.83 5.03 0.00 3.75 3.72 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 89 T 9.23 4.97 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 1.53 0.00 0.00 90 E 8.88 5.22 0.00 2.19 1.89 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 2.24 2.26 0.00 91 F 8.53 5.68 0.00 3.24 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 92 T 9.05 5.23 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 93 S 8.24 5.06 0.00 3.92 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 94 D 9.27 4.48 0.00 2.68 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 95 A 7.69 4.30 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 96 T 7.37 4.68 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 1.28 0.00 0.00 97 P 0.00 4.50 0.00 2.22 2.15 0.00 3.83 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 1.99 0.00 98 L 7.59 4.39 0.00 1.56 1.74 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 99 L 8.88 4.22 0.00 1.66 1.57 0.89 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 100 G 8.42 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 0.00 0.00 0.00 101 R 8.72 5.22 0.00 1.72 1.79 0.00 3.05 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 102 Q 9.26 5.52 0.00 2.43 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.57 0.00 0.00 0.00 0.00 0.00 2.46 2.37 0.00 *104 Q 8.40 4.47 0.00 2.24 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.67 0.00 0.00 0.00 0.00 0.00 2.29 2.51 0.00 105 T 8.45 4.77 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 0.90 0.00 0.00 106 W 9.17 5.18 0.00 3.10 3.33 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 0.00 107 A 9.24 5.23 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 0.00 108 R 8.22 4.40 0.00 0.67 1.13 0.00 2.81 0.00 0.00 2.81 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.57 0.00 109 L 8.32 4.18 0.00 1.60 1.63 0.44 0.62 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 0.00 110 S 7.42 4.59 0.00 3.92 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 0.00 111 P 0.00 4.11 0.00 2.17 2.20 0.00 3.73 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 1.97 1.95 0.00 112 A 8.00 4.14 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 0.00 113 D 8.07 4.35 0.00 2.80 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 0.00 114 G 7.78 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 0.00 0.00 0.00 115 W 8.65 4.57 0.00 3.48 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 0.00 116 K 9.21 4.94 0.00 1.58 1.59 0.00 1.81 0.00 0.00 1.80 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.49 7.81 117 I 7.76 3.32 0.56 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 -0.04 0.00 0.00 118 V 8.34 4.49 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 -0.00 0.00 0.00 0.81 0.00 0.00 119 A 7.26 5.01 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 A 8.74 4.90 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 0.00 121 H 8.87 5.42 0.00 3.29 3.17 0.00 5.63 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 V 9.26 5.06 2.24 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 1.19 0.00 0.00 1.10 0.00 0.00 123 S 9.27 4.87 0.00 3.90 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 0.00 124 L 8.49 5.33 0.00 1.52 1.55 0.99 0.71 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 0.00 125 I 8.61 4.67 1.85 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 1.10 1.20 0.89 0.00 0.00 126 A 8.95 4.20 1.11 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 *128 P 0.00 4.18 0.00 2.06 2.00 0.00 3.68 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 1.90 2.06 0.00 * Residues marked with a * may have inaccurate shift predictions.