NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 47 Q 4.4042 8.2033 119.6435 55.7270 30.9502 173.4159 48 K 4.7870 8.4722 122.1225 54.2900 34.0879 170.3429 49 V 4.8236 8.5910 124.8526 61.1351 35.9853 173.2657 50 A 5.0520 8.5746 128.6758 50.9915 20.8620 175.9138 51 I 4.6991 8.6674 123.7608 59.5421 39.7156 174.9074 52 V 4.7128 8.7535 127.7993 61.4146 33.1234 174.1374 53 R 4.7966 9.4257 130.8458 54.9522 31.4957 175.9309 54 E 4.4467 9.3691 126.3145 57.0861 31.7546 175.9300 55 D 4.5112 8.0608 119.4324 54.0400 41.8610 175.6706 56 T 4.3613 8.4396 115.1930 61.5746 69.6462 175.5742 57 G 3.8898 7.9436 109.5603 44.5636 0.0000 174.9794 58 T 3.8227 8.3134 118.0127 66.6341 68.5756 176.9108 59 I 3.6552 7.7540 119.7597 63.6873 38.0869 177.3078 60 A 3.7647 8.1081 121.7961 55.5253 18.2432 179.2765 61 E 3.8538 8.4077 117.0506 59.7410 29.4539 179.5809 62 L 4.0009 7.8733 119.9099 57.6628 42.0384 178.8531 63 A 4.0253 8.0604 120.9878 55.0034 18.3471 179.0575 64 E 3.7750 8.0350 117.8421 59.4056 29.1547 179.1771 65 K 3.8838 8.1017 118.0821 59.4008 31.9155 179.1305 66 A 4.0440 7.9094 119.6129 55.2835 18.4237 179.3485 67 L 4.1832 8.0027 116.5102 57.9065 41.7968 179.7343 68 G 3.7727 7.8926 103.9843 46.5748 0.0000 173.8147 69 N 4.7117 7.4864 117.1806 53.5444 40.1116 174.8856 *71 V 3.8468 7.5357 113.0107 61.6926 33.6270 175.4418 72 D 4.7086 8.9469 121.6783 52.4355 41.0204 174.5516 73 I 3.8134 8.1915 124.3844 62.0960 37.0525 175.5939 74 V 4.2962 8.3942 126.2069 63.8957 33.6562 175.0950 75 Y 4.9096 7.6233 119.0464 56.4270 42.2994 173.6284 76 A 4.5639 7.9323 127.8031 50.6946 21.8276 175.7832 77 G 3.6992 7.0142 111.5940 46.7391 0.0000 172.6545 78 S 4.7097 8.6733 113.8419 57.1649 64.2594 173.5729 79 D 4.8075 8.6645 122.5499 52.8609 42.4157 176.2732 80 L 4.0894 8.4431 129.2188 57.8216 42.0738 178.7511 81 K 3.9924 8.2544 118.9335 59.1566 31.9993 178.7632 82 E 3.7647 8.0398 118.7626 58.4900 29.5981 178.4017 83 A 3.2827 7.1596 120.7004 54.6034 18.5894 179.0689 84 E 3.6990 8.0969 117.7764 59.2786 29.5739 178.9195 85 E 3.9125 7.6021 118.3340 58.9138 29.8395 178.8154 86 A 3.9527 7.7744 120.8158 54.8542 18.3427 179.9612 87 V 3.3996 7.5414 117.0001 66.0432 31.3771 178.5515 88 K 3.8987 7.4392 116.9318 59.0008 31.8753 179.0635 89 K 4.0428 7.7078 119.5132 58.9981 32.2915 177.7681 90 E 4.1820 7.8902 116.2064 55.4494 30.2770 175.6881 91 K 3.7922 7.9269 116.0223 57.8277 29.9855 174.6629 92 A 4.3048 7.6288 120.3555 51.4692 19.3792 176.7670 93 P 5.0120 0.0000 0.0000 65.1354 33.2113 175.7157 94 A 5.2220 7.7513 120.7321 50.6414 23.1275 174.9600 95 I 4.8697 8.8510 121.4104 59.6213 40.1195 174.7522 96 I 4.6398 8.6703 128.3388 59.8101 39.1162 174.6673 97 V 4.5920 9.0338 128.1458 61.3557 33.8400 174.7053 98 I 4.3311 8.5853 130.2919 59.2186 37.1907 173.4802 99 P 4.9416 0.0000 0.0000 60.8535 33.2172 175.8130 100 K 3.7980 8.6320 121.6779 58.6807 32.4265 176.8119 101 G 4.1074 9.5240 114.1859 45.4038 0.0000 175.2912 102 F 4.1133 8.4885 122.3009 61.5216 39.5377 177.1667 103 S 4.2083 8.6162 114.2942 61.7417 62.5337 176.3324 104 Q 3.9874 8.0368 120.4689 59.1359 29.1353 177.8624 105 S 4.2360 8.0649 116.1796 61.8880 62.7830 176.8507 106 L 4.0386 7.5885 120.8264 57.7011 41.0658 179.2914 107 E 4.0902 7.8213 117.1721 58.4707 29.6207 178.3742 108 S 4.4897 7.9737 113.6390 58.4220 63.2648 174.5386 109 G 3.9196 7.6579 108.9187 47.3162 0.0000 173.0528 110 E 4.6994 7.8343 117.2541 53.3470 32.5022 176.2151 111 K 4.1155 8.6807 121.5058 57.3337 32.7007 176.1953 112 A 4.4145 8.4264 126.0775 50.7953 20.7778 176.1170 113 R 4.7678 8.5010 121.2753 55.7013 31.3444 175.3708 114 L 5.0238 8.9275 127.8045 53.4478 45.2685 174.6928 115 E 5.3127 8.9795 125.5814 54.7434 32.6911 174.9231 116 I 4.6868 8.7316 123.9557 59.4812 40.4190 174.5152 117 V 4.8004 8.7049 127.8113 61.2152 33.3121 174.3873 118 W 5.4243 9.6886 128.9154 55.7096 31.5245 175.1673 119 Y 4.7551 9.6188 122.2204 56.2751 38.5742 173.9314 120 L 4.6418 9.5981 124.5894 52.9059 43.6151 177.6686 121 R 4.5634 9.7723 124.7576 53.5590 31.1837 175.0564 122 G 4.4587 7.2123 106.0980 44.6587 0.0000 172.9591 123 T 4.7302 7.9507 109.4051 61.2820 69.3831 172.6558 124 G 4.3346 8.1269 111.8685 44.2967 0.0000 172.5418 125 L 3.9218 8.6961 118.8992 58.7494 41.7124 180.1372 126 S 4.2060 7.9658 114.3138 61.4912 62.9174 176.3118 127 E 4.0331 8.1629 120.7161 59.2784 29.3115 179.0486 128 A 3.9377 8.1417 120.9523 55.0398 18.3463 179.9265 129 V 3.5784 7.8966 116.8701 66.1302 31.5341 178.4973 130 S 4.3252 8.2957 114.9729 61.9156 62.7347 176.6164 131 T 3.7277 8.1313 118.5285 66.6893 68.2093 176.8081 132 G 3.6559 8.1663 107.3257 48.1676 0.0000 175.8215 133 T 3.9537 8.2245 118.3450 66.5642 68.5030 177.0246 134 I 3.8914 8.3064 121.9487 64.2883 37.2019 178.7357 135 S 4.2562 8.3243 116.2307 61.7406 62.8177 176.4428 136 S 4.1626 8.1811 115.7982 61.6391 62.0950 176.3548 137 L 4.0888 7.8909 121.2512 57.7272 41.1259 179.4826 138 I 3.8017 7.8399 119.2120 64.2897 37.4069 177.9709 139 E 4.1351 8.1291 119.1140 59.5624 29.3155 179.4104 140 S 4.1561 7.9945 112.8388 61.0526 62.1745 175.9041 141 L 4.0462 7.6322 122.4893 57.7924 41.9313 178.8209 142 K 4.1352 7.8995 118.4855 59.3608 32.0704 179.3613 143 V 3.5392 7.7213 118.0131 66.0217 31.2725 177.1280 144 Q 4.2842 7.7420 114.1458 56.5512 28.8871 176.9206 145 L 4.4989 7.4260 120.0635 54.8379 42.7639 178.2772 146 A 3.8314 7.3276 121.1192 55.2312 17.7857 179.7659 147 S 3.9717 7.3948 112.7816 61.2020 62.6328 175.9704 148 F 4.8265 7.2519 118.3767 58.2126 39.0051 176.0331 149 L 4.5950 7.6955 117.9339 54.5330 41.8439 177.0775 150 L 4.2755 7.4330 117.5040 55.8876 41.8915 178.0893 151 N 4.4382 7.9890 116.4294 55.9843 38.8736 175.3871 152 D 4.8080 7.6515 116.5751 52.4979 42.5290 174.9738 153 P 4.4618 0.0000 0.0000 65.1590 32.3413 178.4673 154 K 3.7800 8.2296 118.4537 59.2478 31.8087 177.8022 155 K 4.4425 7.9324 114.9282 56.4151 32.4086 177.9521 156 A 4.1357 7.8039 123.1756 54.7445 18.3655 180.0332 157 Q 4.0534 8.0773 116.4330 59.2417 28.4054 178.7307 158 L 4.2978 7.7072 119.0359 57.0098 41.2864 179.3845 159 L 3.8996 7.2453 118.6972 57.9619 41.7176 178.5639 160 F 4.3393 8.1890 115.2998 59.5738 39.4279 176.1603 161 D 4.7854 7.5292 118.3988 52.4783 41.8584 172.1480 162 P 4.6240 0.0000 0.0000 63.0504 33.4692 176.0376 163 L 5.1031 7.8661 119.3895 52.8292 44.8947 176.1335 164 E 4.4282 9.5296 125.6104 54.6295 30.4332 174.4456 165 I 4.5160 8.2630 127.6969 60.9207 37.8225 175.4462 166 V 4.3393 8.8441 128.7035 61.3485 33.1304 174.6115 167 Q 5.2917 8.6180 125.6838 54.4892 32.5327 174.0105 168 H 5.3125 9.5747 119.5895 54.3784 33.1651 172.6937 169 T 5.0951 8.8443 118.0462 62.1075 72.1241 172.5631 170 Y 4.8718 9.1754 125.6283 57.1035 39.6009 174.3417 171 L 5.0507 9.2611 127.2478 53.5045 44.9340 176.5609 172 R 3.8648 9.7114 126.8877 57.3270 28.2728 177.6725 173 G 4.0581 8.6373 104.1793 45.5710 0.0000 174.2659 174 S 4.3559 8.4606 117.5417 57.5008 63.7523 172.6089 175 L 4.1798 8.0276 127.2379 53.7186 43.1200 175.9763 176 F 4.6456 9.0906 126.3221 54.9799 40.3779 174.4827 177 K 4.2906 8.2935 122.9091 57.3299 33.1682 177.2364 178 N 4.3898 9.1990 118.8709 54.0133 36.0292 173.5384 179 H 4.9283 7.6876 114.2570 53.5667 31.6612 174.7215 180 S 4.5170 8.3299 118.1454 57.4195 65.1232 173.7068 181 P 4.0909 0.0000 0.0000 65.3969 31.0372 178.4791 182 E 4.0162 7.9407 116.1493 59.3973 29.7768 178.7841 183 A 4.1494 7.8225 120.4542 55.1521 18.3326 180.5394 184 I 3.2761 7.5794 115.4452 62.1524 36.6755 177.8620 *186 N 4.7157 8.1193 119.3859 53.4156 40.6653 176.3758 187 V 3.5436 7.5203 117.9117 65.9018 32.0805 178.1798 188 F 4.2960 7.6599 118.2505 60.4681 38.8105 176.5000 189 Y 4.5224 7.9229 115.3370 58.0680 37.8210 175.9155 190 S 4.5201 7.8126 114.0966 58.6609 63.7687 174.3688 191 Q 4.1922 7.5587 125.0471 56.3813 28.5237 175.4139 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 47 Q 8.20 4.40 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.87 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 48 K 8.47 4.79 0.00 1.85 1.73 0.00 1.51 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.57 7.81 49 V 8.59 4.82 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 0.90 0.00 0.00 0.91 0.00 0.00 50 A 8.57 5.05 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 51 I 8.67 4.70 1.78 0.00 0.00 0.81 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 0.85 0.83 0.00 0.00 52 V 8.75 4.71 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 1.08 0.00 0.00 1.11 0.00 0.00 53 R 9.43 4.80 0.00 1.72 1.67 0.00 3.13 0.00 0.00 3.15 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.44 0.00 54 E 9.37 4.45 0.00 2.07 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 2.26 2.24 0.00 55 D 8.06 4.51 0.00 2.74 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 56 T 8.44 4.36 4.23 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 1.21 0.00 0.00 57 G 7.94 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 58 T 8.31 3.82 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 1.10 0.00 0.00 59 I 7.75 3.66 1.89 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.45 1.06 0.00 0.00 60 A 8.11 3.76 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 61 E 8.41 3.85 0.00 2.12 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 2.29 2.53 0.00 62 L 7.87 4.00 0.00 1.77 1.85 1.18 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.06 4.03 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 64 E 8.04 3.77 0.00 1.96 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 0.00 2.24 2.27 0.00 65 K 8.10 3.88 0.00 2.03 1.84 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.65 7.81 66 A 7.91 4.04 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.00 4.18 0.00 1.72 1.72 0.92 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.89 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 N 7.49 4.71 0.00 2.75 2.85 0.00 0.00 6.96 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *71 V 7.54 3.85 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 0.70 0.00 0.00 0.97 0.00 0.00 72 D 8.95 4.71 0.00 2.74 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 I 8.19 3.81 1.85 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 1.20 0.63 0.86 0.00 0.00 74 V 8.39 4.30 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 0.76 0.00 0.00 1.04 0.00 0.00 75 Y 7.62 4.91 0.00 3.03 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 76 A 7.93 4.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.01 3.70 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 0.00 0.00 0.00 78 S 8.67 4.71 0.00 3.97 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 79 D 8.66 4.81 0.00 2.77 2.65 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 80 L 8.44 4.09 0.00 1.83 1.66 0.98 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.25 3.99 0.00 2.09 1.78 0.00 1.83 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.46 1.31 7.81 82 E 8.04 3.76 0.00 1.93 1.75 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 2.28 1.97 0.00 83 A 7.16 3.28 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 84 E 8.10 3.70 0.00 2.11 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 0.00 2.23 2.24 0.00 85 E 7.60 3.91 0.00 2.11 1.86 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 2.32 2.19 0.00 86 A 7.77 3.95 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 V 7.54 3.40 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 0.17 0.00 0.00 0.78 0.00 0.00 88 K 7.44 3.90 0.00 1.67 1.76 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.23 1.45 7.81 89 K 7.71 4.04 0.00 1.81 1.98 0.00 1.68 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.45 7.81 90 E 7.89 4.18 0.00 2.24 1.86 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 2.27 2.37 0.00 91 K 7.93 3.79 0.00 1.86 1.82 0.00 1.83 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.36 7.81 92 A 7.63 4.30 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 5.01 0.00 2.47 2.51 0.00 4.08 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 94 A 7.75 5.22 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 I 8.85 4.87 1.97 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.89 1.00 0.00 0.00 96 I 8.67 4.64 1.81 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.50 0.86 0.00 0.00 97 V 9.03 4.59 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 0.98 0.00 0.00 0.97 0.00 0.00 98 I 8.59 4.33 1.62 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.21 -0.02 0.00 0.00 99 P 0.00 4.94 0.00 2.17 2.21 0.00 4.10 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.87 0.00 100 K 8.63 3.80 0.00 1.75 1.82 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.49 7.81 101 G 9.52 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 F 8.49 4.11 0.00 3.26 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 0.00 103 S 8.62 4.21 0.00 4.04 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 0.00 104 Q 8.04 3.99 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.02 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 105 S 8.06 4.24 0.00 3.97 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 0.00 106 L 7.59 4.04 0.00 1.70 1.65 0.61 1.30 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 0.00 107 E 7.82 4.09 0.00 1.98 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 2.35 2.70 0.00 108 S 7.97 4.49 0.00 4.08 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 0.00 109 G 7.66 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 0.00 0.00 0.00 110 E 7.83 4.70 0.00 2.05 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 2.18 2.27 0.00 111 K 8.68 4.12 0.00 1.62 1.75 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.61 1.47 7.81 112 A 8.43 4.41 0.58 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 0.00 0.00 113 R 8.50 4.77 0.00 1.89 1.94 0.00 3.23 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 114 L 8.93 5.02 0.00 1.99 1.56 0.95 0.75 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 0.00 115 E 8.98 5.31 0.00 2.02 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 2.30 2.32 0.00 116 I 8.73 4.69 1.66 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.66 -0.21 0.00 0.00 117 V 8.70 4.80 2.31 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 1.17 0.00 0.00 1.03 0.00 0.00 118 W 9.69 5.42 0.00 3.31 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 0.00 119 Y 9.62 4.76 0.00 3.00 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 0.00 120 L 9.60 4.64 0.00 1.79 1.83 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 121 R 9.77 4.56 0.00 1.81 1.93 0.00 3.35 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 122 G 7.21 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 T 7.95 4.73 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 124 G 8.13 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 0.00 0.00 0.00 0.00 125 L 8.70 3.92 0.00 1.76 1.71 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 126 S 7.97 4.21 0.00 3.94 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 0.00 127 E 8.16 4.03 0.00 2.23 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 2.69 2.51 0.00 128 A 8.14 3.94 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 0.00 129 V 7.90 3.58 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.96 0.00 0.00 130 S 8.30 4.33 0.00 4.22 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 T 8.13 3.73 4.23 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 0.78 0.00 0.00 132 G 8.17 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 0.00 0.00 0.00 133 T 8.22 3.95 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 1.26 0.00 0.00 134 I 8.31 3.89 2.39 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.74 0.82 0.00 0.00 135 S 8.32 4.26 0.00 4.14 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.18 4.16 0.00 4.04 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 L 7.89 4.09 0.00 1.96 1.72 0.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 138 I 7.84 3.80 2.08 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 1.76 0.79 0.97 0.00 0.00 139 E 8.13 4.14 0.00 2.22 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 2.55 2.49 0.00 140 S 7.99 4.16 0.00 3.94 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 0.00 141 L 7.63 4.05 0.00 1.73 1.93 1.00 0.72 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 0.00 142 K 7.90 4.14 0.00 2.04 1.83 0.00 1.90 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.73 7.81 143 V 7.72 3.54 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 1.01 0.00 0.00 0.89 0.00 0.00 144 Q 7.74 4.28 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.52 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 145 L 7.43 4.50 0.00 1.77 1.73 1.06 1.52 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 0.00 146 A 7.33 3.83 1.20 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 0.00 0.00 147 S 7.39 3.97 0.00 3.31 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 0.00 148 F 7.25 4.83 0.00 3.07 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 0.00 149 L 7.70 4.59 0.00 1.67 1.67 0.88 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 150 L 7.43 4.28 0.00 1.79 1.71 0.88 0.94 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 0.00 151 N 7.99 4.44 0.00 2.74 2.88 0.00 0.00 6.97 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 D 7.65 4.81 0.00 2.67 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 P 0.00 4.46 0.00 2.22 2.30 0.00 3.73 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 154 K 8.23 3.78 0.00 1.93 1.94 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.07 7.81 155 K 7.93 4.44 0.00 1.94 1.82 0.00 1.68 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.62 1.43 7.81 156 A 7.80 4.14 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 0.00 157 Q 8.08 4.05 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.84 0.00 0.00 0.00 0.00 0.00 2.45 2.02 0.00 158 L 7.71 4.30 0.00 1.90 1.71 0.88 0.59 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 0.00 159 L 7.25 3.90 0.00 1.86 1.36 0.85 0.61 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 0.00 160 F 8.19 4.34 0.00 3.01 3.12 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 0.00 161 D 7.53 4.79 0.00 2.68 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 P 0.00 4.62 0.00 2.12 2.40 0.00 3.71 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.98 0.00 163 L 7.87 5.10 0.00 1.55 1.64 1.02 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 164 E 9.53 4.43 0.00 1.99 1.86 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 2.24 2.28 0.00 165 I 8.26 4.52 1.93 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.99 0.99 0.00 0.00 166 V 8.84 4.34 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 1.05 0.00 0.00 0.96 0.00 0.00 167 Q 8.62 5.29 0.00 2.13 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.63 0.00 0.00 0.00 0.00 0.00 2.51 2.45 0.00 168 H 9.57 5.31 0.00 3.01 3.10 0.00 5.55 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 T 8.84 5.10 4.36 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 1.29 0.00 0.00 170 Y 9.18 4.87 0.00 2.75 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 0.00 171 L 9.26 5.05 0.00 1.85 1.80 0.96 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 172 R 9.71 3.86 0.00 2.02 1.99 0.00 3.25 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 173 G 8.64 4.06 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 0.00 174 S 8.46 4.36 0.00 4.07 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 L 8.03 4.18 0.00 1.10 1.28 0.15 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 176 F 9.09 4.65 0.00 2.99 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 K 8.29 4.29 0.00 1.75 1.81 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.40 7.81 178 N 9.20 4.39 0.00 2.95 2.96 0.00 0.00 7.07 8.16 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 0.00 179 H 7.69 4.93 0.00 3.22 3.16 0.00 5.85 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 S 8.33 4.52 0.00 4.13 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 0.00 181 P 0.00 4.09 0.00 1.62 1.86 0.00 3.14 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.42 0.00 182 E 7.94 4.02 0.00 1.84 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 2.26 2.35 0.00 183 A 7.82 4.15 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 0.00 184 I 7.58 3.28 1.75 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.40 0.66 0.00 0.00 *186 N 8.12 4.72 0.00 2.69 2.90 0.00 0.00 7.05 7.68 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 0.00 187 V 7.52 3.54 1.55 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 0.31 0.00 0.00 0.69 0.00 0.00 188 F 7.66 4.30 0.00 2.93 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 0.00 189 Y 7.92 4.52 0.00 2.99 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 0.00 190 S 7.81 4.52 0.00 4.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 Q 7.56 4.19 0.00 2.22 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.