NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 5.7089 0.0000 0.0000 63.3121 33.8222 179.5564 3 A 3.8392 8.6251 121.8787 54.2575 18.6116 177.7046 4 L 5.0150 8.5077 112.4490 55.0618 44.5439 174.1916 5 D 4.4642 8.1833 119.5915 54.2905 41.0565 176.7081 6 L 4.2366 8.4548 123.7913 55.4734 42.0597 177.7335 7 I 4.5627 7.6868 119.9179 59.3138 38.4460 174.5367 8 R 3.8913 8.3957 120.7536 55.9007 29.6560 175.6433 9 P 5.4023 0.0000 0.0000 61.2298 32.9668 175.3579 10 S 4.3279 8.5378 111.1969 57.2823 65.1336 174.3360 11 V 3.6038 8.4641 124.9959 63.3705 30.8627 175.2557 12 T 4.4495 9.1620 118.4091 61.7808 69.8327 174.7603 13 A 4.5399 7.6116 122.6837 52.1785 22.0201 174.8544 14 M 4.8534 7.9158 116.3916 54.7792 34.1031 173.3945 15 R 4.4159 7.9585 117.8217 56.0431 34.6374 172.8724 16 V 4.7666 8.4197 122.4804 61.1777 34.4445 174.5107 17 I 4.3518 8.9923 129.0116 59.6625 37.7770 176.8046 18 A 3.9302 8.7680 131.0975 55.2125 18.5144 176.0981 19 S 5.4831 7.3935 107.4303 58.3946 63.6958 174.5964 20 V 3.8195 8.3264 119.8094 61.0480 32.2274 175.6708 21 N 4.2076 9.0610 123.6106 53.8604 39.6541 174.5374 22 A 3.9421 9.1527 127.8077 55.8039 17.8965 179.1553 23 D 4.3026 8.1574 114.9501 57.2032 41.0847 178.7529 24 F 4.6672 8.0504 120.3024 60.8103 39.6316 176.5698 25 A 3.9354 8.1366 120.8752 55.2757 18.0342 179.5131 26 R 3.8565 8.0161 115.7020 59.7986 30.0648 178.9282 27 E 4.1122 7.7946 114.9415 58.2507 29.5789 178.3197 28 L 4.2590 7.7254 117.7179 53.6197 42.2915 176.3263 29 K 3.9133 8.0264 117.6602 57.0751 30.2933 175.4973 30 L 4.1204 7.7774 117.3936 53.6328 42.3612 175.6224 31 P 4.4598 0.0000 0.0000 61.9228 32.0589 175.1114 32 P 4.4254 0.0000 0.0000 64.2536 31.8664 177.7239 33 H 4.3248 7.5744 114.4109 58.3177 28.7222 175.0358 34 I 4.3692 7.2017 121.2031 61.0785 35.0756 174.9438 35 R 4.3503 9.2993 124.8652 56.5390 31.5209 176.5089 36 S 5.1701 7.1757 112.9519 56.9649 66.6197 172.5744 37 L 4.6820 7.5852 117.7130 54.9724 45.9586 173.5977 38 G 4.4802 9.2745 114.3953 44.3769 0.0000 171.7706 39 L 5.6698 8.2126 123.0303 52.1577 45.4869 175.3766 40 I 4.6324 7.8071 118.4567 61.0031 41.1163 172.7504 41 S 5.3343 8.7825 121.6715 57.4250 68.0525 173.5495 42 A 4.4522 7.9076 121.3119 52.3196 21.7231 175.1601 43 D 4.4653 8.9487 112.7675 56.7589 41.5952 176.2619 44 S 4.3907 7.5225 114.9239 57.7748 62.6236 174.5029 45 D 3.9955 8.3924 124.5430 56.6298 39.1426 178.2397 46 D 4.4042 7.7321 118.9186 53.9355 41.6710 178.7703 47 V 3.3875 7.5604 119.0693 66.5428 31.5354 178.0107 48 T 3.8839 7.2048 114.6657 66.5197 68.1098 176.4836 49 Y 4.3653 7.1030 118.6292 61.6759 38.0081 177.3868 50 I 3.8305 8.4682 120.5835 64.4467 36.7036 177.9790 51 A 3.9780 8.3498 121.3615 55.2788 18.2384 179.7250 52 A 3.8689 7.9422 118.9396 56.0274 18.5951 178.7962 53 D 4.2798 8.5559 115.3991 58.1022 41.3064 178.3389 54 E 3.9443 8.6671 119.6710 59.3911 29.5314 179.3758 55 A 3.9715 8.3109 121.5492 55.1949 18.2000 179.5416 56 T 3.5750 7.9868 107.8531 65.0352 68.7560 176.4290 57 K 4.1481 7.9039 119.5475 58.3548 32.4065 178.2781 58 Q 4.3637 8.0386 116.2850 55.4878 29.3343 175.1405 59 A 4.8334 8.0114 122.4152 50.4151 22.4396 176.2516 60 M 4.3372 12.0000 120.5119 54.2910 30.5397 175.5157 61 V 4.8311 7.3803 114.3370 57.8763 36.8379 174.0352 62 E 4.6355 8.4118 121.4525 54.0628 33.2071 173.9605 63 V 3.8567 8.6878 126.2467 63.9041 31.3070 175.5331 64 V 3.9325 8.2768 129.6828 65.5409 32.1887 175.9205 65 Y 4.7795 7.9468 120.4467 55.9864 42.5107 174.5026 66 G 4.7497 8.2640 113.2046 45.8317 0.0000 172.2054 67 R 5.0682 9.3107 124.4924 54.8730 35.2767 174.2935 68 S 4.8627 8.7314 116.8340 57.3410 64.3161 173.8911 69 L 4.0762 8.3918 124.5824 57.5715 41.8720 177.9656 *83 E 4.3922 7.7980 116.5038 55.9689 32.4863 175.0304 84 V 4.6824 7.4525 118.6014 61.3617 35.7247 172.7137 85 L 5.1952 9.2231 128.7662 53.5026 45.1104 174.9175 86 I 4.9884 8.4400 126.5863 59.7685 40.3440 174.2092 87 M 4.9726 9.7338 126.9023 53.9608 34.4570 174.2316 88 L 4.6243 10.1801 126.6345 53.3246 43.5690 176.5448 89 G 4.2256 8.9877 111.3074 45.6968 0.0000 172.4354 90 G 4.3102 8.0514 106.2220 45.1570 0.0000 171.9383 91 P 5.1081 0.0000 0.0000 63.2560 32.1878 175.0081 92 N 4.7589 7.2764 114.3538 51.2186 39.5513 173.3155 93 P 4.3977 0.0000 0.0000 64.8253 31.2534 178.5038 94 A 4.0100 7.9245 120.3565 54.6977 18.2997 178.8186 95 E 3.8821 8.1374 115.8081 59.8607 29.9874 180.0006 96 V 3.7659 7.8052 111.9499 64.4318 31.7348 178.6130 97 R 3.9359 7.8253 117.3422 59.3603 30.1709 178.5484 98 A 4.2625 8.6823 119.7956 54.5284 18.2603 178.7205 99 G 3.8016 8.4843 104.9978 46.3178 0.0000 175.8649 100 L 3.9600 7.7630 120.4403 57.6415 41.8781 178.3959 101 D 4.2731 8.1535 116.3107 58.4402 40.8737 178.4975 102 A 4.3105 8.0961 119.8234 55.1340 18.3376 179.7024 103 M 4.2712 8.3931 118.6687 58.0808 31.8402 178.6234 104 I 3.7840 8.8224 120.6091 64.2802 37.1198 177.9941 105 A 4.2011 8.3224 120.9338 55.8180 18.3244 178.7144 106 H 4.3968 7.7936 110.3729 57.1123 29.0601 176.9610 107 I 4.0633 8.9765 123.3622 62.9780 37.2697 177.3796 108 E 4.1137 7.9334 121.2576 59.1306 29.5524 178.5637 109 N 5.0432 7.8229 114.6246 53.1948 41.6402 174.4958 110 G 3.8382 7.5777 110.6693 44.0207 0.0000 173.5312 111 A 3.2972 8.1552 128.5363 51.5606 19.0699 176.4687 112 A 4.2339 7.5848 116.1371 51.0131 21.6140 176.6135 113 F 4.0463 8.9260 121.0864 58.0857 40.1040 174.3535 114 Q 4.3865 8.4617 116.9407 54.1818 33.1585 175.0603 115 W 4.7657 8.1195 122.1296 57.0538 29.3801 176.1614 116 A 4.7685 9.1484 124.3606 53.3041 19.8573 177.0234 117 N 5.0129 8.0053 110.7741 51.5972 40.1112 175.1226 118 D 4.5108 8.6721 118.3143 56.5680 41.1512 177.1507 119 A 4.2397 7.9375 120.6707 51.4096 18.7278 177.2817 120 Q 3.4391 8.2813 113.7967 56.9222 27.0198 174.1091 121 D 4.7272 8.2546 115.3369 53.9576 39.7437 177.2527 122 T 4.7686 7.7948 117.4630 63.0136 71.0854 173.0879 123 A 5.3329 8.9470 128.1659 51.2291 20.1244 176.0831 124 F 5.3324 8.4636 111.7962 56.0775 41.1130 172.8481 125 L 4.2276 8.1729 122.5136 53.2693 44.1489 175.6991 126 A 5.0459 7.5779 122.0232 51.7989 19.6408 174.8083 127 H 4.6489 8.4483 120.0160 53.3537 32.7714 175.0997 128 V 4.6230 8.1240 119.8936 61.1822 33.0717 175.3828 129 V 3.9901 9.5100 131.3703 62.4124 31.5145 177.0746 130 S 4.0996 8.8648 124.0571 60.9705 63.3369 174.2342 131 R 4.4688 7.5638 121.2274 55.0699 31.3061 174.8837 132 T 4.1547 8.9259 117.9255 62.0786 69.9758 174.3233 133 G 4.5092 8.8095 110.3711 45.0165 0.0000 173.7520 134 S 4.2337 8.2281 112.8902 61.4294 63.3143 175.9774 135 Y 4.0823 7.8889 121.2363 59.8063 38.9155 176.4872 136 L 3.8730 8.3321 118.5665 57.3806 42.2628 177.7270 137 S 4.2998 7.8130 111.1293 58.1573 62.7136 175.6263 138 S 4.1531 7.3140 114.6752 60.6544 62.2196 174.6370 139 T 4.3966 7.3651 114.1669 62.9193 69.5950 174.3018 140 A 4.2700 7.5099 125.3860 51.2218 19.3597 179.8248 141 G 3.9441 8.5429 107.8692 45.7383 0.0000 173.4376 142 I 4.4836 9.9612 119.3349 59.2971 39.9270 175.3588 143 T 4.4311 7.8905 118.9879 61.0262 70.4422 173.3956 144 L 4.4441 7.8214 126.1598 58.0993 41.6263 176.7264 145 G 4.0323 7.9851 112.3866 45.2822 0.0000 172.9966 146 D 4.7466 8.2738 120.6699 53.3205 42.3857 174.4185 147 P 5.1084 0.0000 0.0000 62.8872 33.3062 174.5424 148 M 4.7265 8.9094 116.5010 54.6885 36.4240 173.1449 149 A 5.0403 8.3031 127.8324 51.2063 20.2352 176.0605 150 Y 4.7235 9.1402 125.8704 57.2113 39.1892 173.7703 151 L 4.3018 8.8701 127.2315 53.1831 42.5721 176.0940 152 V 4.8568 8.1121 124.0717 61.4226 34.1628 174.5168 153 A 4.9946 7.9093 127.2183 51.5512 23.0734 174.0602 154 P 3.8441 0.0000 0.0000 62.1718 32.7606 175.1377 155 P 3.6904 0.0000 0.0000 66.0258 31.3122 177.9861 156 L 3.7313 8.0644 120.6993 58.9179 42.5925 178.1249 157 E 3.8092 8.1266 117.0034 59.7639 29.8158 179.5671 158 A 4.2416 9.4568 120.3748 55.7226 18.3054 179.8604 159 T 4.0178 8.4663 114.6217 66.8281 68.2753 176.2856 160 Y 4.2180 7.7852 120.4729 60.6609 39.0794 176.5927 161 G 3.5022 8.8500 107.9843 45.5044 0.0000 175.9865 162 I 3.7108 8.1332 120.0710 63.6786 37.8460 177.2410 163 D 4.3033 8.0011 118.7689 57.6660 40.7036 178.3975 164 A 4.0342 8.2038 120.0124 54.4033 18.7303 179.2454 165 A 4.1872 7.7550 120.4038 54.9631 18.3360 179.3286 166 L 3.8491 8.2995 117.7015 58.2157 41.5932 179.8695 167 K 3.9990 7.8322 115.9436 57.9530 31.7484 177.6762 168 S 4.5840 8.8870 113.4531 57.8464 64.7817 173.4085 169 A 4.6977 7.2794 122.2839 50.0359 22.1264 176.3623 170 D 4.6843 8.3148 119.8982 52.4093 37.8753 175.5543 171 V 4.7984 7.3282 118.7180 60.8147 36.9624 174.2938 172 Q 4.5472 9.7784 120.7720 53.8667 32.6861 175.3202 173 L 4.5467 8.8785 125.1032 55.1976 43.4135 176.1856 174 A 4.2504 8.7359 121.5271 51.4732 21.1189 176.9064 175 T 3.4318 8.5182 121.8710 65.1942 66.2121 172.4471 176 Y 4.2842 7.7989 120.5395 57.3580 40.0453 174.4957 177 V 4.4060 6.9819 123.9553 58.7397 34.7454 173.4560 178 P 4.3019 0.0000 0.0000 62.0225 31.6087 175.3500 179 P 4.3227 0.0000 0.0000 65.1826 31.5111 177.7798 180 P 3.9829 0.0000 0.0000 65.2642 32.1819 176.6465 *183 T 4.1127 7.5163 108.7497 62.8799 68.8672 172.9468 184 N 4.1708 8.5142 119.8988 54.8785 36.9722 173.5298 185 Y 4.7790 7.9700 113.4510 56.3411 42.0767 175.2264 186 S 4.6749 8.8206 116.9053 56.8497 63.7033 172.7240 187 A 4.9634 8.5361 129.0691 51.1931 20.1155 176.1103 188 A 4.4570 8.2847 121.3900 50.5132 23.2274 175.2313 189 F 5.3091 8.5644 119.7898 55.7357 42.1155 174.6824 190 L 5.3058 8.7700 121.5463 53.2118 45.1608 175.6293 191 T 4.6190 9.4486 111.6432 59.5476 72.3690 174.2330 192 G 4.2119 8.3983 109.5700 45.7814 0.0000 172.1047 193 S 4.1933 7.9939 113.3815 58.6848 63.0205 174.9577 194 Q 4.1784 8.6730 120.1846 57.6959 28.9375 176.8786 195 A 4.5901 7.7672 119.3984 53.3729 21.0616 177.9177 196 A 4.0996 7.5852 118.1891 55.1346 18.0738 179.1640 197 C 4.1669 7.9630 114.3384 62.0739 29.0315 175.5546 198 K 3.7980 8.1038 120.3722 59.8367 31.5911 177.9433 199 A 3.9545 8.8015 120.7323 55.2970 18.4265 179.5050 200 A 3.9786 7.8931 118.4554 55.2145 18.3669 179.0001 201 C 3.9754 9.1077 118.4036 63.0798 31.5248 175.5323 202 N 4.4182 8.9653 119.1203 55.7974 38.0653 177.0977 203 A 4.2013 8.1052 119.7865 54.3628 18.8681 178.8205 204 F 4.2064 8.9886 121.0670 60.6540 38.9510 177.0117 205 T 3.7504 9.3541 110.0160 65.4146 68.4596 175.4702 206 D 4.3475 8.5683 122.5916 56.7308 41.0114 178.8662 207 A 4.2138 8.2987 121.2931 54.6815 18.3364 179.8551 208 V 3.3609 7.1825 115.8123 65.7863 31.8408 177.8062 209 L 3.9503 7.6661 118.7540 57.6634 41.4407 179.1597 210 E 3.8510 7.5937 116.9474 59.7275 29.2843 179.5060 211 I 3.5361 6.8852 116.4902 64.1151 37.0832 177.8774 212 A 4.1764 8.0401 121.1606 54.6967 18.6486 179.6296 213 R 3.9863 7.7921 115.0743 57.4761 30.6604 177.2147 214 N 4.4249 8.9061 115.4443 53.5771 39.4022 175.2823 215 P 3.8717 0.0000 0.0000 64.2347 32.7163 175.6008 216 I 3.8100 12.0000 124.0199 60.9529 37.7901 175.1901 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 P 0.00 5.71 0.00 2.20 2.13 0.00 3.89 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 1.99 2.04 0.00 3 A 8.63 3.84 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 4 L 8.51 5.01 0.00 1.69 1.88 1.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 5 D 8.18 4.46 0.00 3.07 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 6 L 8.45 4.24 0.00 1.65 1.64 0.86 0.82 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 7 I 7.69 4.56 1.66 0.00 0.00 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 1.54 0.39 0.88 0.00 0.00 8 R 8.40 3.89 0.00 1.91 1.96 0.00 3.03 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 9 P 0.00 5.40 0.00 2.02 1.99 0.00 3.74 0.00 0.00 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.99 0.00 10 S 8.54 4.33 0.00 3.91 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.46 3.60 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 0.85 0.00 0.00 0.92 0.00 0.00 12 T 9.16 4.45 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 1.31 0.00 0.00 13 A 7.61 4.54 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 14 M 7.92 4.85 0.00 1.97 2.13 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 15 R 7.96 4.42 0.00 1.92 1.75 0.00 3.07 0.00 0.00 3.09 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.44 0.00 16 V 8.42 4.77 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 0.88 0.00 0.00 0.93 0.00 0.00 17 I 8.99 4.35 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.59 0.96 0.00 0.00 18 A 8.77 3.93 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 19 S 7.39 5.48 0.00 3.85 3.76 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 20 V 8.33 3.82 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 0.67 0.00 0.00 0.91 0.00 0.00 21 N 9.06 4.21 0.00 2.91 2.83 0.00 0.00 7.08 8.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 9.15 3.94 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 23 D 8.16 4.30 0.00 2.79 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 24 F 8.05 4.67 0.00 2.99 3.23 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 25 A 8.14 3.94 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 26 R 8.02 3.86 0.00 2.06 2.02 0.00 3.14 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.94 0.00 27 E 7.79 4.11 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.62 0.00 28 L 7.73 4.26 0.00 1.52 1.51 0.05 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.03 3.91 0.00 1.85 1.86 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.39 7.81 30 L 7.78 4.12 0.00 1.55 1.53 0.86 1.05 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 31 P 0.00 4.46 0.00 1.75 2.10 0.00 3.65 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 32 P 0.00 4.43 0.00 2.02 2.11 0.00 3.55 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.02 0.00 33 H 7.57 4.32 0.00 3.30 3.55 0.00 5.46 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.20 4.37 1.98 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.81 0.92 0.00 0.00 35 R 9.30 4.35 0.00 1.86 1.94 0.00 3.40 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 36 S 7.18 5.17 0.00 3.76 3.89 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 *83 E 7.80 4.39 0.00 2.60 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 2.26 2.28 0.00 84 V 7.45 4.68 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 0.86 0.00 0.00 0.82 0.00 0.00 85 L 9.22 5.20 0.00 1.69 1.51 0.48 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 86 I 8.44 4.99 1.90 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 1.08 0.84 0.90 0.00 0.00 87 M 9.73 4.97 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 88 L 10.18 4.62 0.00 1.63 1.55 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 89 G 8.99 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 0.00 0.00 0.00 0.00 90 G 8.05 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 0.00 0.00 0.00 0.00 91 P 0.00 5.11 0.00 2.19 2.19 0.00 3.42 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.90 0.00 92 N 7.28 4.76 0.00 2.84 2.92 0.00 0.00 6.76 7.76 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 93 P 0.00 4.40 0.00 2.18 2.13 0.00 3.59 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 2.11 2.14 0.00 94 A 7.92 4.01 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 95 E 8.14 3.88 0.00 1.94 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 2.32 2.37 0.00 96 V 7.81 3.77 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 0.88 0.00 0.00 0.93 0.00 0.00 97 R 7.83 3.94 0.00 1.96 1.99 0.00 3.30 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.99 0.00 98 A 8.68 4.26 1.36 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 0.00 0.00 0.00 99 G 8.48 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 3.57 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 0.00 125 L 8.17 4.23 0.00 0.27 0.93 0.49 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 126 A 7.58 5.05 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 H 8.45 4.65 0.00 3.01 3.22 0.00 5.58 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 V 8.12 4.62 2.10 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 0.80 0.00 0.00 0.94 0.00 0.00 129 V 9.51 3.99 2.18 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 1.01 0.00 0.00 1.10 0.00 0.00 130 S 8.86 4.10 0.00 4.03 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 0.00 131 R 7.56 4.47 0.00 1.79 1.84 0.00 3.24 0.00 0.00 3.27 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 132 T 8.93 4.15 4.17 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 1.18 0.00 0.00 133 G 8.81 4.51 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 0.00 134 S 8.23 4.23 0.00 4.23 4.15 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 0.00 135 Y 7.89 4.08 0.00 2.97 3.01 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 0.00 136 L 8.33 3.87 0.00 2.17 1.53 1.19 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 137 S 7.81 4.30 0.00 3.91 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 0.00 138 S 7.31 4.15 0.00 3.81 3.63 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 0.00 139 T 7.37 4.40 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 1.15 0.00 0.00 140 A 7.51 4.27 1.04 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 0.00 0.00 141 G 8.54 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 0.00 142 I 9.96 4.48 1.75 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.57 0.92 0.00 0.00 143 T 7.89 4.43 4.21 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 1.18 0.00 0.00 144 L 7.82 4.44 0.00 1.56 1.63 0.90 1.18 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 0.00 145 G 7.99 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 0.00 146 D 8.27 4.75 0.00 2.58 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 0.00 147 P 0.00 5.11 0.00 2.08 2.14 0.00 3.78 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 2.03 2.04 0.00 148 M 8.91 4.73 0.00 2.00 1.81 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.52 0.00 149 A 8.30 5.04 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 0.00 150 Y 9.14 4.72 0.00 3.16 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 0.00 151 L 8.87 4.30 0.00 1.42 0.50 0.80 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 152 V 8.11 4.86 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 1.41 0.00 0.00 0.95 0.00 0.00 153 A 7.91 4.99 1.68 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 0.00 0.00 154 P 0.00 3.84 0.00 1.93 1.60 0.00 3.62 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.61 0.00 155 P 0.00 3.69 0.00 2.16 1.93 0.00 3.51 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 156 L 8.06 3.73 0.00 1.69 1.59 0.88 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 157 E 8.13 3.81 0.00 2.12 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 2.35 2.39 0.00 158 A 9.46 4.24 1.56 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 0.00 0.00 159 T 8.47 4.02 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 1.28 0.00 0.00 160 Y 7.79 4.22 0.00 2.85 2.97 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 0.00 161 G 8.85 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.13 3.71 1.92 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.03 0.91 0.00 0.00 163 D 8.00 4.30 0.00 2.66 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 0.00 164 A 8.20 4.03 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 0.00 165 A 7.75 4.19 1.49 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 0.00 0.00 166 L 8.30 3.85 0.00 1.64 1.73 0.87 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 167 K 7.83 4.00 0.00 1.89 1.83 0.00 1.75 0.00 0.00 1.84 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.44 7.81 168 S 8.89 4.58 0.00 3.95 4.08 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 0.00 0.00 0.00 169 A 7.28 4.70 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 0.00 170 D 8.31 4.68 0.00 2.80 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 0.00 171 V 7.33 4.80 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 0.75 0.00 0.00 0.94 0.00 0.00 172 Q 9.78 4.55 0.00 1.75 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 173 L 8.88 4.55 0.00 1.62 1.61 0.59 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 174 A 8.74 4.25 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 0.00 175 T 8.52 3.43 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 0.00 176 Y 7.80 4.28 0.00 2.93 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 V 6.98 4.41 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 0.66 0.00 0.00 0.86 0.00 0.00 178 P 0.00 4.30 0.00 2.05 2.06 0.00 3.68 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 2.05 2.20 0.00 179 P 0.00 4.32 0.00 2.06 2.14 0.00 3.74 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.18 0.00 180 P 0.00 3.98 0.00 2.07 2.07 0.00 3.81 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 2.00 2.13 0.00 *183 T 7.52 4.11 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 0.00 184 N 8.51 4.17 0.00 3.03 2.97 0.00 0.00 7.00 7.46 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 0.00 185 Y 7.97 4.78 0.00 2.86 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 0.00 186 S 8.82 4.67 0.00 3.97 3.83 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 0.00 187 A 8.54 4.96 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 A 8.28 4.46 1.24 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 0.00 189 F 8.56 5.31 0.00 3.00 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 0.00 190 L 8.77 5.31 0.00 1.59 1.53 0.90 0.33 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 0.00 191 T 9.45 4.62 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 1.17 0.00 0.00 192 G 8.40 4.21 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 0.00 193 S 7.99 4.19 0.00 4.01 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 0.00 194 Q 8.67 4.18 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.89 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 195 A 7.77 4.59 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 0.00 196 A 7.59 4.10 1.49 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 0.00 0.00 197 C 7.96 4.17 0.00 2.99 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 0.00 198 K 8.10 3.80 0.00 1.83 1.87 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.57 7.81 199 A 8.80 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 0.00 200 A 7.89 3.98 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 0.00 201 C 9.11 3.98 0.00 3.01 3.21 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 0.00 202 N 8.97 4.42 0.00 3.12 2.91 0.00 0.00 6.51 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 0.00 203 A 8.11 4.20 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 0.00 204 F 8.99 4.21 0.00 3.24 3.30 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 0.00 205 T 9.35 3.75 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 1.70 0.00 0.00 206 D 8.57 4.35 0.00 2.77 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 0.00 207 A 8.30 4.21 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 V 7.18 3.36 1.54 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 0.45 0.00 0.00 0.07 0.00 0.00 209 L 7.67 3.95 0.00 1.64 1.63 0.93 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 210 E 7.59 3.85 0.00 1.95 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 2.29 2.50 0.00 211 I 6.89 3.54 1.77 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 -0.25 0.71 0.00 0.00 212 A 8.04 4.18 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 0.00 213 R 7.79 3.99 0.00 1.76 1.97 0.00 3.15 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.90 0.00 214 N 8.91 4.42 0.00 2.72 2.43 0.00 0.00 7.35 8.10 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 0.00 215 P 0.00 3.87 0.00 1.81 1.78 0.00 3.70 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.00 0.00 216 I 12.00 3.81 2.06 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 1.12 0.99 0.99 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.