NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 E 4.4914 8.4444 120.1772 56.2970 31.5432 174.3004 8 V 4.3156 8.4486 121.6363 58.4380 34.0428 172.5998 9 P 4.7377 0.0000 0.0000 62.9513 32.8009 175.5205 10 L 4.5996 9.0028 124.7922 53.0805 43.8670 174.6878 11 L 4.8534 8.4106 126.1667 54.6779 42.2882 176.8894 12 V 4.8754 9.1477 116.9323 59.8845 36.7199 174.6932 13 T 4.8450 8.6903 112.1085 60.1118 71.3107 175.8755 14 L 4.1214 8.5694 121.4899 57.8052 41.5310 179.6830 15 E 4.0730 8.1834 118.4661 59.4620 29.0227 178.9597 16 E 4.0513 8.1272 118.6757 58.9576 29.5388 178.9458 17 L 4.2304 7.8158 118.1825 56.6399 41.6383 178.5591 18 Y 3.9763 7.7672 119.2708 60.3660 38.9618 176.4370 19 L 3.9256 8.1016 118.2760 58.3094 42.3426 176.4172 20 G 4.0078 7.2821 102.7730 43.5045 0.0000 172.6841 21 K 4.4769 8.2998 121.9461 55.2488 36.3101 174.8845 22 R 4.8619 8.4619 124.8059 54.3183 30.7167 175.8089 23 K 4.2557 8.9026 123.6541 56.0305 34.0368 176.3062 24 K 4.8919 8.4690 121.3965 54.8363 33.0873 175.6179 25 I 4.2318 8.6418 126.0059 60.3147 39.0761 174.8092 26 K 4.9276 8.4399 124.4068 55.0694 33.8667 176.1553 27 V 4.4652 9.1503 123.8418 61.4114 35.3739 173.5019 28 T 5.2084 8.6008 121.8654 60.4144 68.8357 173.7930 29 R 4.5279 8.9849 122.5789 55.9895 31.2608 175.1097 *40 E 4.0750 7.8003 119.7782 56.1746 30.3343 171.6679 41 E 5.0603 8.4794 123.8213 53.9503 31.4482 174.0156 42 N 5.1888 9.3389 124.6716 51.0773 41.2373 173.1824 43 I 4.8393 8.2693 120.2613 59.6602 39.3867 175.0738 44 V 4.3303 9.0039 127.7357 60.9917 33.8148 174.2119 45 E 4.7454 8.8017 127.7282 55.8475 30.5385 175.9055 46 V 4.7756 8.8682 125.1674 60.1119 33.9844 174.3032 47 E 4.7746 9.1394 129.0105 55.9364 30.6771 175.4689 48 I 4.3478 8.6118 126.1504 59.4405 40.1279 174.8675 49 K 3.9043 5.6600 126.1337 53.8205 34.0624 174.7407 50 P 4.7346 0.0000 0.0000 63.6681 31.6692 177.0579 51 G 4.0210 8.8627 111.3067 44.8365 0.0000 173.8495 52 W 4.5414 7.3496 119.6329 57.2841 29.4797 175.9145 53 K 4.6184 8.4033 121.4158 54.3327 33.9222 175.5017 54 D 4.5137 8.2995 120.1273 56.0525 41.1277 177.0364 55 G 3.9579 8.6730 111.2156 45.3309 0.0000 174.0426 56 T 3.6361 7.3320 116.8022 64.2790 69.2947 172.9763 57 K 4.8058 8.4106 127.8042 55.0289 33.8267 175.4399 58 L 4.8664 8.8736 126.4771 53.1929 45.4730 175.4893 59 T 5.1436 8.4890 118.6475 61.9876 71.7736 172.8917 60 Y 4.5457 9.1643 124.5354 55.8608 40.0279 175.5587 61 S 5.1081 8.0463 119.6570 58.9645 64.2490 175.8658 62 G 4.0196 9.1826 109.3007 46.1156 0.0000 173.9230 63 E 4.4034 7.8191 117.1088 56.3283 29.6116 176.0832 64 G 4.2411 8.0095 108.3743 44.6940 0.0000 173.2020 65 D 4.7140 8.5244 118.9941 54.1733 42.2920 175.5122 66 Q 4.5683 8.4798 124.0845 54.8853 29.4340 175.1484 67 E 4.1424 8.9871 127.8961 59.0567 30.3752 176.4445 68 S 4.6844 7.5618 111.9139 56.5717 66.8920 173.2934 69 P 4.1986 0.0000 0.0000 65.9000 31.1097 177.9279 70 G 3.9462 7.9804 103.5102 46.1761 0.0000 173.0719 71 T 4.7033 7.7098 115.3938 61.6130 72.5645 173.9296 72 S 4.5490 8.3957 119.9282 57.3835 63.9983 172.4408 73 P 4.4420 0.0000 0.0000 63.0792 32.1162 177.1367 74 G 3.9379 8.8254 110.6580 46.2295 0.0000 172.2112 75 D 5.3141 8.5740 118.8676 53.1827 43.5159 175.3838 76 L 5.0164 8.8412 122.4578 53.3807 44.6252 175.0228 77 V 4.8702 8.4203 125.7535 61.1814 33.9111 174.0745 78 L 5.9574 9.0085 127.3780 52.1978 45.5758 175.4481 79 I 4.8735 7.9964 121.5075 59.1935 40.8672 174.9358 80 I 4.1617 8.6078 128.7881 61.8583 38.2923 174.9015 81 Q 4.6686 9.3043 128.3439 54.5354 31.6637 174.2740 82 T 4.7942 9.3733 124.5865 63.2800 69.3177 175.1886 83 K 4.4676 8.7902 125.4980 55.5822 33.7283 176.9826 84 T 4.0078 8.3880 119.3601 63.8461 68.7870 173.6359 85 H 4.7351 8.7051 126.0624 53.9640 30.9649 173.9919 86 P 4.4054 0.0000 0.0000 64.9443 31.2718 176.9367 87 R 4.4502 8.1633 113.1991 55.3487 31.9645 174.6687 88 F 5.3867 7.9969 114.4697 56.0299 43.5970 174.0260 89 T 4.7413 8.8247 110.5678 60.0357 71.8288 172.6412 90 R 4.7971 8.6845 125.0549 55.2089 31.8023 175.9282 91 D 4.7292 8.7174 124.8720 52.6670 42.8157 176.8610 92 D 4.4652 8.4474 128.0877 55.2518 40.5058 173.9859 93 C 4.6136 8.9871 111.1970 58.0040 30.3088 172.3506 94 H 5.5258 7.9656 117.5524 54.4210 31.8145 173.0465 95 L 5.2634 8.3642 119.7100 53.2913 45.4322 175.7854 96 I 5.4958 8.4457 121.7480 58.2165 41.9248 173.8238 *98 K 4.2776 8.4179 122.7920 56.6097 33.0189 175.0592 99 V 4.3701 8.3503 127.2018 61.2840 34.0948 174.4182 100 T 4.8809 8.6202 125.7036 63.2634 69.1786 174.3068 101 I 4.5862 8.5838 119.3775 58.2994 41.6455 173.2814 102 P 4.6222 0.0000 0.0000 62.1326 32.3901 176.9619 103 L 3.7151 8.7430 124.6489 58.5203 41.6763 180.0251 104 V 3.5398 7.6033 118.1669 65.0970 31.0721 178.4564 105 R 3.8432 7.7924 118.1812 58.7449 29.8132 178.8909 106 A 3.9699 7.6837 120.1469 54.7278 18.1527 179.1632 107 L 4.1310 7.6323 116.3834 56.7865 42.2003 178.4888 108 T 4.3370 8.9122 108.6583 62.3094 69.8925 174.2148 109 G 4.3151 7.0970 105.6368 42.7283 0.0000 172.5103 110 F 4.7143 7.8388 116.1817 56.8896 41.4454 172.5800 111 T 4.7050 8.6115 116.8074 62.2675 70.0832 173.6428 112 C 4.8635 9.6728 127.8793 57.5282 33.3940 170.6820 113 P 4.7610 0.0000 0.0000 62.6231 32.4027 175.9417 114 V 4.1766 8.3011 121.4899 61.7774 34.3444 174.2550 115 T 5.2755 8.8165 126.1981 61.2892 67.7718 174.9564 116 T 3.9817 8.2279 116.8578 61.0479 69.5136 174.0986 117 L 4.2059 7.5233 121.5163 54.4367 41.8699 174.8239 118 D 4.4942 8.3468 129.1219 54.7130 47.3800 176.5235 *120 R 4.0967 8.2414 117.0787 56.5145 31.4173 174.5585 121 N 5.2022 8.5514 116.1746 51.7459 40.3328 174.3056 122 L 4.6781 9.0401 127.3703 52.9904 44.2502 175.0099 123 Q 4.3605 8.6669 125.4748 55.9289 29.3166 175.5748 124 I 4.4067 9.1472 126.8104 58.6263 39.0820 173.0022 125 P 4.6801 0.0000 0.0000 62.3135 32.2960 175.5942 126 I 4.1693 8.5091 126.4767 59.4956 38.4852 176.2829 127 K 4.1035 8.5601 127.4798 57.6892 33.5764 176.4129 128 E 4.2134 7.7741 116.2306 55.7284 30.0965 176.2309 129 I 4.0693 8.1137 121.7278 61.6147 37.6094 175.7534 130 V 4.5276 8.3557 127.4042 61.1026 33.4525 174.1942 131 N 5.2219 9.2050 124.0130 50.1120 40.5977 173.3864 132 P 4.2843 0.0000 0.0000 65.1323 31.3682 177.6369 133 K 4.5135 8.5481 115.7561 56.1648 32.3157 176.6283 134 T 4.1440 7.9598 117.0758 63.8142 68.7573 174.8748 135 R 4.6387 8.1878 123.5667 54.1610 32.5200 173.6227 136 K 4.2049 8.9737 125.6324 56.0913 33.2926 175.3587 137 I 4.6893 8.2747 129.2114 60.3151 38.4709 174.3320 138 V 3.7712 8.5020 130.5478 63.0586 31.0426 177.9291 *140 N 4.8944 8.7365 110.5660 52.8738 38.2096 173.6741 141 E 4.1855 7.9025 113.5169 56.3598 31.9239 176.4541 142 G 3.7623 9.1711 105.3643 46.8652 0.0000 172.1254 *144 P 4.5418 0.0000 0.0000 61.5971 33.0324 175.9694 145 I 4.2253 8.1496 116.9723 59.3600 39.4858 175.3138 146 K 3.7423 8.7774 126.0983 58.4154 32.2947 175.6373 147 N 4.2979 8.9430 121.6452 54.3680 36.2287 174.9577 148 Q 4.4368 7.5199 116.6670 52.4042 29.7814 172.2508 149 P 4.0091 0.0000 0.0000 63.9639 32.0821 178.1581 150 G 3.9722 8.6433 108.5036 46.1428 0.0000 173.1455 151 Q 4.5805 7.6803 119.6111 54.6173 30.3330 175.1035 152 K 4.9132 8.4475 121.4189 54.3189 37.3586 175.4490 153 G 4.5699 8.3155 108.3352 45.1089 0.0000 172.6924 154 D 4.9137 8.5768 118.9109 53.9450 42.6266 175.8424 155 L 4.7591 8.3862 123.6835 53.8109 43.7946 175.0556 156 I 4.6396 8.6612 129.0152 60.1569 38.9297 174.9937 157 L 4.4537 8.9302 128.6472 53.3914 43.1377 175.5342 158 E 4.7622 8.3215 123.3864 54.4296 32.4264 174.8914 159 F 5.2997 8.6908 121.2961 55.9606 41.9516 175.5059 160 D 4.8500 9.1838 124.4047 52.3827 40.5865 173.1954 161 I 4.2778 8.0618 121.5820 61.1185 38.1856 174.6816 162 C 4.5555 9.3719 129.4318 58.6019 32.4504 172.7607 163 F 4.7987 8.9902 125.0628 55.7638 40.1028 174.1643 164 P 4.4260 0.0000 0.0000 62.4528 31.8903 177.1684 165 K 4.1993 8.7056 122.2275 59.3713 32.2905 177.3354 166 S 4.6968 7.4334 109.5347 57.3130 65.4177 173.3180 167 L 4.9737 8.0149 120.3132 52.4024 45.5519 177.3033 168 T 4.2680 9.1164 112.4576 60.7726 71.2251 174.0793 169 P 4.2510 0.0000 0.0000 65.9794 31.2631 178.5573 170 E 4.0141 8.0970 117.5945 59.0543 29.5554 178.6613 171 Q 3.9719 7.7378 118.0728 58.8502 28.7804 178.7296 172 K 3.9374 8.0361 119.5643 59.2529 32.0739 179.2837 173 K 3.9225 7.9258 119.3728 59.5772 32.0679 178.8646 174 L 4.0063 7.9049 119.2322 57.7809 41.4734 179.5973 175 I 3.6809 7.9734 120.0539 64.3836 36.8383 178.6317 176 K 4.0470 7.9688 118.1260 59.5066 31.9035 178.9989 177 E 4.1000 8.0056 117.8973 59.0831 29.4272 179.0385 178 A 4.1023 8.0184 120.1542 55.1487 18.6763 177.3660 179 L 4.1369 8.1196 120.7164 55.1069 41.7876 176.9598 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 7 E 8.44 4.49 0.00 1.87 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 2.21 2.31 0.00 8 V 8.45 4.32 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 0.96 0.00 0.00 0.93 0.00 0.00 9 P 0.00 4.74 0.00 2.12 2.04 0.00 3.75 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 10 L 9.00 4.60 0.00 1.71 1.71 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.41 4.85 0.00 1.57 1.62 0.93 0.92 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 12 V 9.15 4.88 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 0.92 0.00 0.00 1.01 0.00 0.00 13 T 8.69 4.84 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 14 L 8.57 4.12 0.00 1.79 1.75 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.18 4.07 0.00 2.10 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 2.45 2.49 0.00 16 E 8.13 4.05 0.00 2.16 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 2.38 0.00 17 L 7.82 4.23 0.00 2.07 1.77 1.08 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 7.77 3.98 0.00 3.00 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 19 L 8.10 3.93 0.00 1.70 1.67 1.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 20 G 7.28 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 0.00 0.00 0.00 21 K 8.30 4.48 0.00 1.85 1.60 0.00 1.47 0.00 0.00 1.65 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.47 7.81 22 R 8.46 4.86 0.00 1.70 1.86 0.00 3.25 0.00 0.00 3.23 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 23 K 8.90 4.26 0.00 1.75 1.73 0.00 1.64 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.45 7.81 24 K 8.47 4.89 0.00 1.59 1.72 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.42 7.81 25 I 8.64 4.23 1.78 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 1.17 1.09 0.87 0.00 0.00 26 K 8.44 4.93 0.00 1.61 1.87 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.40 7.81 27 V 9.15 4.47 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 0.93 0.00 0.00 0.88 0.00 0.00 28 T 8.60 5.21 4.58 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 0.00 0.00 0.00 1.21 0.00 0.00 29 R 8.98 4.53 0.00 1.88 1.94 0.00 3.32 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 *40 E 7.80 4.08 0.00 2.15 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 2.28 2.38 0.00 41 E 8.48 5.06 0.00 1.97 1.82 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 2.18 2.32 0.00 42 N 9.34 5.19 0.00 2.79 2.86 0.00 0.00 6.40 7.42 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 43 I 8.27 4.84 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 1.22 0.64 0.97 0.00 0.00 44 V 9.00 4.33 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 0.74 0.00 0.00 0.90 0.00 0.00 45 E 8.80 4.75 0.00 1.94 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 46 V 8.87 4.78 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 1.46 0.00 0.00 0.62 0.00 0.00 47 E 9.14 4.77 0.00 2.08 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 2.16 2.28 0.00 48 I 8.61 4.35 1.97 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.18 0.96 0.00 0.00 49 K 5.66 3.90 0.00 0.79 1.06 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.78 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.11 0.86 7.81 50 P 0.00 4.73 0.00 1.85 1.94 0.00 3.44 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.91 0.00 51 G 8.86 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 0.00 0.00 0.00 52 W 7.35 4.54 0.00 3.42 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 53 K 8.40 4.62 0.00 1.83 1.74 0.00 1.69 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.66 7.81 54 D 8.30 4.51 0.00 2.66 2.61 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 55 G 8.67 3.96 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 0.00 0.00 0.00 56 T 7.33 3.64 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 0.26 0.00 0.00 57 K 8.41 4.81 0.00 1.69 1.60 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.42 7.81 58 L 8.87 4.87 0.00 1.72 1.69 1.10 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 59 T 8.49 5.14 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 1.22 0.00 0.00 60 Y 9.16 4.55 0.00 2.90 2.91 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 61 S 8.05 5.11 0.00 3.96 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 62 G 9.18 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 0.00 0.00 0.00 63 E 7.82 4.40 0.00 2.19 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 2.56 2.46 0.00 64 G 8.01 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 0.00 0.00 0.00 0.00 65 D 8.52 4.71 0.00 2.62 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 8.48 4.57 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 7.11 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 67 E 8.99 4.14 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 2.29 2.33 0.00 68 S 7.56 4.68 0.00 3.88 3.68 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 69 P 0.00 4.20 0.00 2.04 2.13 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 70 G 7.98 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 71 T 7.71 4.70 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 1.21 0.00 0.00 72 S 8.40 4.55 0.00 3.76 3.79 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 73 P 0.00 4.44 0.00 2.10 2.18 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 74 G 8.83 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 75 D 8.57 5.31 0.00 2.63 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 76 L 8.84 5.02 0.00 1.91 1.71 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.42 4.87 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 1.10 0.00 0.00 0.94 0.00 0.00 78 L 9.01 5.96 0.00 1.61 1.51 0.77 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 79 I 8.00 4.87 1.86 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 1.33 1.08 0.93 0.00 0.00 80 I 8.61 4.16 1.86 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.17 1.01 0.00 0.00 81 Q 9.30 4.67 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.00 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 82 T 9.37 4.79 4.34 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 1.26 0.00 0.00 83 K 8.79 4.47 0.00 1.65 1.75 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.57 7.81 84 T 8.39 4.01 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 85 H 8.71 4.74 0.00 3.23 3.48 0.00 5.68 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 P 0.00 4.41 0.00 2.01 2.07 0.00 3.35 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.08 0.00 87 R 8.16 4.45 0.00 1.51 1.44 0.00 3.08 0.00 0.00 3.20 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.59 0.00 88 F 8.00 5.39 0.00 2.69 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 89 T 8.82 4.74 4.28 0.00 0.00 0.00 0.00 0.00 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 90 R 8.68 4.80 0.00 1.87 1.89 0.00 3.21 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 91 D 8.72 4.73 0.00 2.74 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 92 D 8.45 4.47 0.00 2.81 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 0.00 0.00 0.00 93 C 8.99 4.61 0.00 3.13 3.10 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 94 H 7.97 5.53 0.00 3.28 3.18 0.00 5.57 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 95 L 8.36 5.26 0.00 1.42 1.44 0.38 0.98 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 96 I 8.45 5.50 1.91 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 1.12 1.89 0.90 0.00 0.00 *98 K 8.42 4.28 0.00 1.74 1.70 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.76 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.42 7.81 99 V 8.35 4.37 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 1.14 0.00 0.00 0.81 0.00 0.00 100 T 8.62 4.88 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 1.29 0.00 0.00 101 I 8.58 4.59 1.21 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.79 0.90 0.00 0.00 102 P 0.00 4.62 0.00 2.05 1.91 0.00 3.35 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 103 L 8.74 3.72 0.00 1.37 1.40 0.42 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.60 3.54 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 0.72 0.00 0.00 0.88 0.00 0.00 105 R 7.79 3.84 0.00 1.41 1.38 0.00 3.29 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.45 0.00 106 A 7.68 3.97 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 0.00 107 L 7.63 4.13 0.00 1.61 1.68 0.81 0.62 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 0.00 108 T 8.91 4.34 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 1.19 0.00 0.00 109 G 7.10 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 0.00 0.00 0.00 0.00 110 F 7.84 4.71 0.00 3.21 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 0.00 111 T 8.61 4.71 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 112 C 9.67 4.86 0.00 3.13 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 0.00 113 P 0.00 4.76 0.00 2.15 2.08 0.00 3.91 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 2.03 2.02 0.00 114 V 8.30 4.18 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 0.98 0.00 0.00 0.97 0.00 0.00 115 T 8.82 5.28 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 116 T 8.23 3.98 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 1.26 0.00 0.00 117 L 7.52 4.21 0.00 0.53 1.34 0.43 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 118 D 8.35 4.49 0.00 2.62 2.44 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 *120 R 8.24 4.10 0.00 2.03 2.12 0.00 2.96 0.00 0.00 3.36 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.67 0.00 121 N 8.55 5.20 0.00 2.61 2.81 0.00 0.00 6.67 7.85 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.83 6.69 0.00 0.00 0.00 0.00 0.00 2.27 2.53 0.00 149 P 0.00 4.01 0.00 2.14 1.98 0.00 3.70 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 150 G 8.64 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 7.68 4.58 0.00 2.24 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.51 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 152 K 8.45 4.91 0.00 1.69 1.86 0.00 2.15 0.00 0.00 1.86 0.00 0.00 3.05 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.47 1.40 7.81 153 G 8.32 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 D 8.58 4.91 0.00 2.30 2.49 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 0.00 155 L 8.39 4.76 0.00 1.76 1.55 1.07 1.07 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 0.00 156 I 8.66 4.64 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 1.19 1.13 0.89 0.00 0.00 157 L 8.93 4.45 0.00 1.40 1.04 0.98 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 158 E 8.32 4.76 0.00 1.78 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 2.23 0.00 159 F 8.69 5.30 0.00 3.00 2.98 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 0.00 160 D 9.18 4.85 0.00 2.78 2.58 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 0.00 0.00 0.00 0.00 161 I 8.06 4.28 2.08 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 1.27 0.78 0.92 0.00 0.00 162 C 9.37 4.56 0.00 2.98 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 0.00 163 F 8.99 4.80 0.00 2.85 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 0.00 164 P 0.00 4.43 0.00 2.05 1.97 0.00 3.67 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.03 0.00 165 K 8.71 4.20 0.00 1.75 1.88 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.38 7.81 166 S 7.43 4.70 0.00 3.94 3.79 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 0.00 167 L 8.01 4.97 0.00 1.60 1.55 0.91 0.95 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 0.00 168 T 9.12 4.27 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 1.21 0.00 0.00 169 P 0.00 4.25 0.00 2.17 2.16 0.00 3.59 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 170 E 8.10 4.01 0.00 2.07 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 2.37 2.45 0.00 171 Q 7.74 3.97 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 172 K 8.04 3.94 0.00 1.96 1.86 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.46 1.63 7.81 173 K 7.93 3.92 0.00 1.85 1.96 0.00 1.63 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 1.56 1.48 7.81 174 L 7.90 4.01 0.00 1.92 1.69 0.91 0.83 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 0.00 175 I 7.97 3.68 2.02 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 1.49 0.74 0.90 0.00 0.00 176 K 7.97 4.05 0.00 1.88 1.87 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.61 7.81 177 E 8.01 4.10 0.00 2.12 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 2.40 0.00 178 A 8.02 4.10 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 0.00 179 L 8.12 4.14 0.00 1.68 1.59 0.91 0.79 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 * Residues marked with a * may have inaccurate shift predictions.