NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.4303 8.2616 121.5349 54.3989 33.3943 175.5204 3 Q 3.9228 8.4776 118.2729 59.0982 29.6098 173.8665 4 I 4.4589 8.6488 118.9738 59.2833 41.1909 173.6759 5 I 4.5878 8.1701 127.2645 59.3024 40.0238 174.9409 6 I 4.6261 8.5276 127.5113 59.4229 40.0664 174.2826 7 A 5.1978 8.9646 129.7553 50.3518 21.2539 175.1575 8 I 4.9622 9.0996 124.3694 59.7262 40.1537 175.7459 9 G 4.7419 8.5595 114.1015 44.6371 0.0000 172.0227 10 R 4.1075 8.0220 112.8178 55.1652 31.5898 174.2345 11 E 4.8710 7.9507 120.9933 55.7074 31.1584 176.1922 12 F 4.3770 9.8146 126.3924 59.6544 40.1768 175.7860 13 G 3.6948 8.1207 115.4616 45.4590 0.0000 174.7061 14 S 4.1417 7.6184 113.5270 59.1789 63.7496 175.3792 15 G 3.9244 8.1969 109.8519 45.4524 0.0000 175.4163 16 G 3.4708 7.8361 107.3917 47.7288 0.0000 175.7605 17 H 4.0992 8.1872 120.2721 59.1247 29.7757 177.1510 18 L 3.9223 7.8425 120.1892 57.6400 41.4725 179.4942 19 V 3.5022 7.8662 117.9595 65.8107 31.4228 177.7650 20 A 3.9517 8.0963 120.6832 55.0866 18.2076 179.2897 21 K 3.7454 8.0671 118.1577 59.7521 32.2169 178.8890 22 K 3.9019 8.2451 118.8054 59.4756 31.9627 179.2061 23 L 3.9980 8.3656 119.2530 57.8704 41.5507 179.4422 24 A 4.0814 8.2271 120.6906 55.3449 18.1976 179.5744 25 E 3.9061 8.3964 117.1325 59.7159 29.2831 179.0839 26 H 4.0256 8.1199 117.4780 59.0294 30.2495 176.0905 27 Y 4.4273 8.2026 116.1716 56.6552 38.9093 174.5427 28 N 4.2556 7.6803 118.2049 54.8079 37.7562 172.1120 29 I 4.8300 7.8554 110.3997 58.2425 41.7457 175.2283 30 P 4.3328 0.0000 0.0000 62.4916 32.6601 175.5013 31 L 4.8465 8.2212 124.5540 53.8769 43.3427 174.9749 32 Y 5.0687 8.9576 125.5787 56.9760 40.0127 175.1969 33 S 4.9852 8.4734 116.2172 55.5798 67.1390 174.5370 34 K 3.7373 9.0195 120.7803 59.9391 31.0910 177.8493 35 E 3.8530 8.1705 118.6127 59.3261 29.4744 178.5045 36 L 3.9434 7.8160 119.9093 58.1860 42.3180 178.8843 37 L 3.5118 8.1398 119.2562 57.5616 41.1979 179.0003 38 D 4.3150 8.2890 118.6330 57.8091 40.8675 178.4291 39 E 4.0564 7.7100 118.2021 59.1376 29.4562 179.0279 40 V 3.7523 8.0300 118.2317 64.2245 31.8258 176.4806 41 A 4.5468 7.1356 119.0469 52.2796 19.1420 176.0483 42 K 4.2952 7.4392 117.5300 56.5467 32.3560 176.7349 43 D 4.1339 7.7206 115.1918 53.4739 42.2268 174.5361 *50 V 4.0350 8.4302 126.6283 62.8541 33.0431 176.8370 51 L 4.0212 7.8422 117.1643 56.9446 41.6991 177.1168 52 E 4.7754 7.9102 117.9192 55.6804 28.3666 176.1111 53 R 4.8327 7.6252 123.1248 55.8759 31.0688 174.0804 54 F 4.4678 8.7551 117.1572 56.5631 39.3340 175.8776 55 D 5.0292 8.1567 117.9064 55.1470 38.3504 173.3183 56 E 4.3378 7.7201 118.3806 55.3206 29.9749 176.7077 57 K 4.0432 8.9530 124.3868 59.4123 32.3398 178.1127 58 P 5.2395 0.0000 0.0000 62.8923 30.9365 177.8488 *60 N 4.9634 8.3051 117.6860 53.6076 40.6843 176.5144 61 F 4.0551 8.6828 119.5235 61.4597 39.2007 176.7227 62 A 4.1391 8.3101 119.0265 55.6326 18.1780 179.3577 63 F 4.5174 7.7765 114.0834 58.8410 39.2866 176.4110 64 I 3.7788 7.0015 120.4241 60.5865 37.2618 174.3658 65 P 4.5221 0.0000 0.0000 62.9500 31.4446 174.5094 66 V 4.2566 7.2325 116.6996 63.8660 37.2022 174.0387 *77 Q 4.1611 7.8739 113.9762 55.5734 30.4929 176.1098 78 D 4.3625 8.8044 122.3747 57.7318 40.7670 179.2558 79 I 3.6009 7.6880 119.4286 64.1631 37.0514 178.0936 80 A 3.4219 7.4531 121.4821 55.0118 18.0756 179.5971 81 I 3.4503 7.3411 117.7142 64.6921 37.0566 178.7621 82 R 3.9457 7.6100 118.6007 59.2464 29.8788 179.1857 83 Q 3.9208 7.8533 117.9921 58.7345 28.6055 178.5974 84 F 4.5210 8.0499 119.2187 60.7766 38.9971 177.2627 85 N 4.2915 8.6723 117.0906 56.3970 38.7055 176.3785 86 F 3.9537 8.5052 122.5160 61.6284 39.3788 177.3489 87 I 3.7013 7.9189 119.0593 64.2682 36.8525 178.5022 88 R 3.8766 8.3653 119.9416 59.2858 29.9163 178.7258 89 K 3.8519 8.3247 118.6271 59.4120 32.0545 179.4795 90 K 3.7653 7.7970 118.4733 59.3019 31.4758 179.3400 91 A 4.1753 8.3993 120.9906 54.9285 18.1738 178.8154 92 N 4.6523 8.2656 112.6399 53.7651 40.1072 175.9150 93 E 4.4130 7.9692 117.8680 58.0005 30.7620 176.9433 94 E 4.1901 8.2162 115.7287 56.2511 29.6918 176.5372 95 K 4.1124 7.9159 116.7955 56.1691 29.7717 174.4948 96 E 4.3558 8.2482 118.1900 56.2940 30.5911 175.7979 97 S 4.9632 8.4534 120.7732 57.4877 64.7023 173.2400 98 F 4.8024 7.9925 116.8349 56.5232 41.7616 172.4407 99 V 4.8492 8.6699 119.8693 61.2242 33.8363 174.1669 100 I 5.3187 9.0362 127.5107 59.4186 41.2284 173.7724 101 V 4.5209 8.6908 129.8493 62.4945 32.6092 177.2360 102 G 3.9472 9.8296 116.6582 46.0869 0.0000 174.7159 103 R 4.8602 9.5961 120.2848 56.7615 27.8481 175.7521 104 C 4.1455 8.7914 111.6008 60.8634 26.0599 175.4046 105 A 4.1373 8.1777 124.3058 55.2269 17.6343 180.2625 106 E 3.9962 8.2630 115.0165 59.3338 29.8554 178.7851 107 E 3.9688 8.0230 119.7864 59.2718 29.7043 178.3590 108 I 3.6328 7.4669 118.3868 63.7412 37.3672 177.4668 109 L 4.6552 7.6541 117.4946 54.7350 41.7527 178.8059 110 S 4.0016 7.4454 116.8292 61.9495 62.6481 175.7374 111 D 4.4782 7.9595 115.8882 53.7648 39.6930 175.3456 112 N 4.6605 7.8039 120.3090 51.7764 38.7895 173.0151 113 P 4.4194 0.0000 0.0000 64.7395 32.5097 176.8046 114 N 4.5772 8.1174 119.8453 52.1908 36.5372 174.1729 *116 I 4.5283 7.4527 121.3822 61.1074 39.8218 175.7428 117 S 5.3622 9.1211 118.2731 56.7826 66.7931 172.7336 118 A 5.0761 8.9644 122.2981 50.4849 22.9401 174.5851 119 F 4.7346 9.1157 124.8570 56.2810 41.7965 174.1772 120 I 4.7728 7.6517 127.3550 59.5193 39.2744 174.8081 121 L 4.9268 8.5420 125.9826 54.2799 44.6082 174.8220 122 G 4.9425 8.8088 105.6918 44.6232 0.0000 172.1662 123 D 4.6843 8.5291 119.3298 52.4772 41.2028 177.2196 124 K 3.8687 9.0185 118.1522 60.0187 31.8877 178.6792 125 D 4.4093 8.1614 117.9551 58.1020 40.8793 179.3377 126 T 3.8418 7.8639 115.3969 66.7053 68.4743 176.7267 127 K 4.4813 8.1844 121.6042 59.2974 31.9114 179.5849 128 T 3.9562 8.2792 108.9087 64.6074 68.6476 176.4889 129 K 4.0962 8.1233 120.8787 59.3025 32.4139 178.9299 130 R 4.0403 8.0104 118.9736 59.2701 29.9160 179.0069 131 V 3.8066 7.9069 115.2862 63.6228 31.0168 176.9915 *133 E 4.2225 8.0716 119.3137 55.7488 31.2564 176.9852 134 R 3.9892 8.2023 117.8577 59.0538 30.1389 176.8910 135 E 4.4859 8.7618 114.2213 55.1197 29.9259 175.9906 136 G 4.0265 8.0961 106.3743 46.8188 0.0000 173.5476 137 V 4.4985 7.4516 115.3958 58.7144 35.0143 175.2917 138 D 4.7129 8.2205 121.0328 52.1676 42.0090 176.8769 139 E 3.8800 8.5534 118.8828 59.3732 29.6123 177.9918 140 K 3.8204 8.1388 118.9974 60.1594 31.9132 178.4030 141 T 3.8257 8.7633 114.3492 66.5168 68.4944 175.8838 142 A 4.2470 7.8871 121.4095 55.6763 18.4644 179.5647 143 L 4.2486 8.0160 115.7538 57.0658 43.1744 179.0950 144 N 4.5977 7.8799 117.6030 53.1043 34.8437 174.9908 *147 K 4.2195 7.9062 124.4684 56.1488 34.4830 176.9877 148 K 3.9310 7.8164 116.8710 57.2226 31.8599 176.8876 *150 D 4.5762 8.1597 118.6440 54.2122 42.5681 179.3732 151 K 4.0647 7.6063 116.9868 56.6820 31.5661 179.2196 *153 R 4.2298 8.1368 119.9752 56.1763 32.2142 177.9713 154 K 3.3796 7.3108 118.4669 59.1815 32.0176 179.0609 155 V 3.5488 7.8084 118.5857 66.0752 31.3709 177.1986 156 Y 4.2351 8.0237 118.7384 61.1374 38.7258 177.4278 157 H 4.0563 8.6578 119.2165 59.4560 29.8957 176.6931 158 N 4.5647 8.5016 116.1311 54.8641 38.5583 177.0753 159 F 4.1524 7.9049 122.2746 61.4364 39.7380 176.3128 160 Y 4.0713 7.6088 115.5713 58.3671 37.8291 175.0401 161 C 4.7826 7.0743 116.1040 57.8100 31.0834 173.4978 162 E 4.1499 8.2930 120.0534 57.8038 29.9306 177.4006 163 S 4.3156 7.7320 112.1274 57.8899 64.1207 173.1125 164 K 4.7102 7.8681 119.2169 53.8485 33.5213 176.1444 165 W 4.1402 9.2985 134.5759 59.2003 30.8063 176.3634 166 G 2.5417 7.9995 114.1260 44.8202 0.0000 173.0658 167 D 4.4308 7.5862 120.7410 53.4355 42.0420 177.1274 168 S 4.2415 8.7466 120.7076 61.5660 63.0108 176.6242 169 R 4.0454 7.9658 118.2935 58.6225 29.9916 177.7626 170 T 3.7444 7.4873 113.9274 65.2382 68.5104 173.8056 171 Y 4.8761 7.3149 117.3559 55.8321 41.6999 175.1970 172 D 4.6142 8.5016 121.1343 56.9778 41.6494 177.3884 173 I 4.6716 7.9376 117.7004 59.5955 41.6623 174.5155 174 C 5.3282 8.6186 121.9508 58.1134 31.9830 173.5820 175 I 4.5400 8.4367 122.9074 59.4660 40.9145 174.0551 176 K 4.6269 8.7101 128.7570 55.4294 33.3130 175.5786 177 I 3.8739 9.1269 129.8491 60.5204 38.4224 176.4906 178 G 4.6050 8.7868 123.9131 46.2939 0.0000 173.9610 179 K 4.0034 8.4395 124.9620 58.1062 33.3216 177.5181 180 V 4.4826 7.4022 110.6156 58.7267 35.6252 174.8756 181 D 5.0752 8.1542 122.2546 52.2235 42.5834 177.5137 182 V 3.5736 8.0811 117.6177 66.2643 31.4605 177.4434 183 D 4.3610 8.0803 118.2266 57.4828 40.4288 178.7839 184 T 3.8788 8.3389 115.8187 66.3669 68.5850 176.4057 185 A 4.1140 7.5943 121.1966 55.5235 18.7185 179.4507 186 T 4.0040 7.9558 114.1189 66.7190 68.5152 177.7074 187 D 4.3538 7.8308 119.3547 54.6113 40.7673 178.5425 *189 I 4.1574 7.7944 122.3945 61.5795 39.4007 178.3258 190 I 3.9940 7.8373 122.3977 63.5864 36.8068 178.3684 191 K 3.9379 8.2651 120.5938 59.5709 31.8386 177.9531 192 Y 3.9724 8.0966 118.0043 60.9608 38.8318 177.9100 193 I 3.9730 8.1420 120.4244 64.6619 37.1104 178.0741 194 D 4.6085 8.5179 118.0177 55.8690 40.7422 177.7301 195 S 4.6792 7.6022 113.9227 57.9277 63.5807 174.0594 196 R 4.0572 7.5060 128.4236 56.8898 29.9600 175.2600 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 K 8.26 4.43 0.00 1.79 1.68 0.00 1.67 0.00 0.00 1.95 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 0.97 7.81 3 Q 8.48 3.92 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.64 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 4 I 8.65 4.46 1.56 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.90 0.57 0.00 0.00 5 I 8.17 4.59 1.62 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.34 0.22 0.00 0.00 6 I 8.53 4.63 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 1.09 0.72 0.92 0.00 0.00 7 A 8.96 5.20 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 8 I 9.10 4.96 1.93 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 1.15 0.69 0.89 0.00 0.00 9 G 8.56 4.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 R 8.02 4.11 0.00 1.53 1.70 0.00 3.28 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.46 0.00 11 E 7.95 4.87 0.00 1.97 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 2.58 2.13 0.00 12 F 9.81 4.38 0.00 2.94 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 13 G 8.12 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 14 S 7.62 4.14 0.00 3.99 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 15 G 8.20 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 16 G 7.84 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.19 4.10 0.00 3.26 3.30 0.00 5.87 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 18 L 7.84 3.92 0.00 1.86 1.67 0.89 0.86 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 19 V 7.87 3.50 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 0.99 0.00 0.00 0.93 0.00 0.00 20 A 8.10 3.95 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.07 3.75 0.00 1.75 1.92 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.46 7.81 22 K 8.25 3.90 0.00 1.95 1.82 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.58 7.81 23 L 8.37 4.00 0.00 1.89 1.87 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.23 4.08 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 25 E 8.40 3.91 0.00 2.17 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 2.31 0.00 26 H 8.12 4.03 0.00 3.06 3.18 0.00 5.74 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 27 Y 8.20 4.43 0.00 3.09 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 N 7.68 4.26 0.00 2.73 2.82 0.00 0.00 6.88 9.24 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 29 I 7.86 4.83 2.07 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 1.33 0.90 0.95 0.00 0.00 30 P 0.00 4.33 0.00 1.33 1.82 0.00 3.81 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.08 0.00 31 L 8.22 4.85 0.00 1.59 1.55 1.01 0.85 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 32 Y 8.96 5.07 0.00 3.01 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 33 S 8.47 4.99 0.00 3.89 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 34 K 9.02 3.74 0.00 1.81 1.86 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.71 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.42 7.81 35 E 8.17 3.85 0.00 2.06 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 0.00 2.37 2.36 0.00 36 L 7.82 3.94 0.00 1.84 1.83 1.12 0.47 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 37 L 8.14 3.51 0.00 1.56 1.48 0.90 0.09 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 38 D 8.29 4.31 0.00 2.74 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.71 4.06 0.00 2.10 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 40 V 8.03 3.75 1.51 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 0.88 0.00 0.00 0.84 0.00 0.00 41 A 7.14 4.55 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 K 7.44 4.30 0.00 1.77 1.88 0.00 1.81 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.32 7.81 43 D 7.72 4.13 0.00 2.61 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.43 4.03 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 0.81 0.00 0.00 0.91 0.00 0.00 51 L 7.84 4.02 0.00 1.78 1.73 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 52 E 7.91 4.78 0.00 2.23 2.40 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 2.73 2.57 0.00 53 R 7.63 4.83 0.00 1.67 1.71 0.00 3.22 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.88 0.00 54 F 8.76 4.47 0.00 3.15 3.15 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 55 D 8.16 5.03 0.00 2.83 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 7.72 4.34 0.00 2.01 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.57 0.00 57 K 8.95 4.04 0.00 1.86 1.81 0.00 1.61 0.00 0.00 1.78 0.00 0.00 3.23 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.46 7.81 58 P 0.00 5.24 0.00 1.33 1.59 0.00 3.68 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 *60 N 8.31 4.96 0.00 2.92 3.04 0.00 0.00 6.65 8.13 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 61 F 8.68 4.06 0.00 3.18 3.29 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 0.00 62 A 8.31 4.14 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.78 4.52 0.00 3.33 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 64 I 7.00 3.78 1.70 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.72 0.86 0.00 0.00 65 P 0.00 4.52 0.00 2.18 2.07 0.00 3.76 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 66 V 7.23 4.26 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 0.80 0.00 0.00 0.92 0.00 0.00 *77 Q 7.87 4.16 0.00 2.33 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.21 6.61 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 78 D 8.80 4.36 0.00 2.66 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 79 I 7.69 3.60 1.80 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 1.51 0.49 0.80 0.00 0.00 80 A 7.45 3.42 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 7.34 3.45 1.85 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.39 0.87 0.00 0.00 82 R 7.61 3.95 0.00 1.86 2.05 0.00 3.08 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.93 0.00 83 Q 7.85 3.92 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.21 2.52 0.00 84 F 8.05 4.52 0.00 3.11 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 85 N 8.67 4.29 0.00 2.99 2.86 0.00 0.00 6.87 7.35 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 86 F 8.51 3.95 0.00 3.12 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 87 I 7.92 3.70 2.21 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.91 1.15 0.00 0.00 88 R 8.37 3.88 0.00 1.90 1.96 0.00 2.38 0.00 0.00 2.89 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.67 0.00 89 K 8.32 3.85 0.00 1.67 1.70 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.57 1.49 7.81 90 K 7.80 3.77 0.00 1.29 1.59 0.00 1.61 0.00 0.00 1.51 0.00 0.00 2.17 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.38 0.24 7.81 91 A 8.40 4.18 1.51 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 0.00 0.00 92 N 8.27 4.65 0.00 2.76 2.87 0.00 0.00 7.03 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 93 E 7.97 4.41 0.00 2.05 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 2.26 2.29 0.00 94 E 8.22 4.19 0.00 2.09 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 2.28 2.21 0.00 95 K 7.92 4.11 0.00 1.94 1.88 0.00 1.97 0.00 0.00 1.92 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.32 7.81 96 E 8.25 4.36 0.00 2.08 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 2.63 2.43 0.00 97 S 8.45 4.96 0.00 3.81 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 98 F 7.99 4.80 0.00 3.03 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 V 8.67 4.85 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.97 0.00 0.00 100 I 9.04 5.32 2.50 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.69 1.30 0.00 0.00 101 V 8.69 4.52 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 0.90 0.00 0.00 1.01 0.00 0.00 102 G 9.83 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 0.00 103 R 9.60 4.86 0.00 2.21 2.30 0.00 3.57 0.00 0.00 4.01 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.64 0.00 104 C 8.79 4.15 0.00 3.00 2.77 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 0.00 105 A 8.18 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 106 E 8.26 4.00 0.00 2.16 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 0.00 2.18 2.26 0.00 107 E 8.02 3.97 0.00 1.99 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 2.19 2.29 0.00 108 I 7.47 3.63 1.97 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 1.04 0.41 0.94 0.00 0.00 109 L 7.65 4.66 0.00 1.81 1.64 1.04 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 110 S 7.45 4.00 0.00 3.89 3.91 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 0.00 111 D 7.96 4.48 0.00 2.80 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 0.00 112 N 7.80 4.66 0.00 2.72 2.86 0.00 0.00 7.15 7.63 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 0.00 113 P 0.00 4.42 0.00 2.21 2.15 0.00 3.80 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 114 N 8.12 4.58 0.00 2.84 2.93 0.00 0.00 6.83 7.45 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 *116 I 7.45 4.53 1.88 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 1.56 0.57 0.92 0.00 0.00 117 S 9.12 5.36 0.00 4.09 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 0.00 118 A 8.96 5.08 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 F 9.12 4.73 0.00 1.51 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 0.00 0.00 0.00 0.00 120 I 7.65 4.77 1.57 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.87 0.75 0.00 0.00 121 L 8.54 4.93 0.00 1.86 1.59 0.95 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 122 G 8.81 4.94 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 0.00 123 D 8.53 4.68 0.00 2.74 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 0.00 124 K 9.02 3.87 0.00 1.83 1.92 0.00 1.73 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.57 1.58 7.81 125 D 8.16 4.41 0.00 2.82 2.75 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 135 E 8.76 4.49 0.00 2.08 1.98 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 2.31 2.53 0.00 136 G 8.10 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 V 7.45 4.50 2.26 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 0.88 0.00 0.00 0.95 0.00 0.00 138 D 8.22 4.71 0.00 2.98 2.87 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 0.00 0.00 0.00 139 E 8.55 3.88 0.00 2.06 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 2.39 2.39 0.00 140 K 8.14 3.82 0.00 1.86 2.13 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.56 7.81 141 T 8.76 3.83 4.30 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 1.22 0.00 0.00 142 A 7.89 4.25 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 0.00 143 L 8.02 4.25 0.00 1.63 1.77 1.01 1.40 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 0.00 144 N 7.88 4.60 0.00 2.93 2.77 0.00 0.00 6.51 6.99 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 *147 K 7.91 4.22 0.00 1.84 1.99 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.45 7.81 148 K 7.82 3.93 0.00 1.79 1.64 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.32 7.81 *150 D 8.16 4.58 0.00 2.83 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 0.00 151 K 7.61 4.06 0.00 1.96 1.75 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.49 7.81 *153 R 8.14 4.23 0.00 1.63 1.78 0.00 3.25 0.00 0.00 3.55 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.62 0.00 154 K 7.31 3.38 0.00 1.01 1.65 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.51 7.81 155 V 7.81 3.55 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.93 0.00 0.00 156 Y 8.02 4.24 0.00 3.17 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 H 8.66 4.06 0.00 3.56 3.47 0.00 5.63 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 0.00 158 N 8.50 4.56 0.00 2.80 2.87 0.00 0.00 7.06 7.18 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 0.00 159 F 7.90 4.15 0.00 2.96 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 Y 7.61 4.07 0.00 2.84 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 C 7.07 4.78 0.00 2.77 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 E 8.29 4.15 0.00 1.84 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 2.09 2.10 0.00 163 S 7.73 4.32 0.00 3.85 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 0.00 164 K 7.87 4.71 0.00 1.83 1.78 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.48 7.81 165 W 9.30 4.14 0.00 3.25 3.19 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 0.00 166 G 8.00 2.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 D 7.59 4.43 0.00 2.74 2.57 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 0.00 168 S 8.75 4.24 0.00 4.05 4.12 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 0.00 169 R 7.97 4.05 0.00 1.95 1.98 0.00 3.18 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 170 T 7.49 3.74 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 171 Y 7.31 4.88 0.00 2.87 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 0.00 172 D 8.50 4.61 0.00 2.54 2.40 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 0.00 173 I 7.94 4.67 1.68 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 -0.10 0.80 0.00 0.00 174 C 8.62 5.33 0.00 2.79 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 0.00 175 I 8.44 4.54 1.80 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 1.07 0.89 0.87 0.00 0.00 176 K 8.71 4.63 0.00 1.74 1.69 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.76 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.44 7.81 177 I 9.13 3.87 2.02 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 1.10 0.49 0.91 0.00 0.00 178 G 8.79 4.61 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 0.00 179 K 8.44 4.00 0.00 1.75 1.90 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.47 7.81 180 V 7.40 4.48 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 0.75 0.00 0.00 0.93 0.00 0.00 181 D 8.15 5.08 0.00 2.91 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 0.00 182 V 8.08 3.57 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 1.02 0.00 0.00 0.89 0.00 0.00 183 D 8.08 4.36 0.00 2.85 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 T 8.34 3.88 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 1.20 0.00 0.00 185 A 7.59 4.11 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 0.00 186 T 7.96 4.00 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 1.17 0.00 0.00 187 D 7.83 4.35 0.00 2.85 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 *189 I 7.79 4.16 2.03 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 1.36 0.68 0.95 0.00 0.00 190 I 7.84 3.99 1.96 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.18 0.85 0.00 0.00 191 K 8.27 3.94 0.00 1.94 1.85 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.46 7.81 192 Y 8.10 3.97 0.00 3.01 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 I 8.14 3.97 2.17 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 1.59 0.96 0.83 0.00 0.00 194 D 8.52 4.61 0.00 2.72 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 0.00 195 S 7.60 4.68 0.00 3.98 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 0.00 196 R 7.51 4.06 0.00 1.48 1.98 0.00 3.29 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.46 0.00 * Residues marked with a * may have inaccurate shift predictions.