NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5955 8.4045 118.7933 53.7591 34.0049 175.0603 2 S 4.5100 8.1197 121.5112 59.3734 70.0800 176.8750 3 Q 4.2114 10.2270 123.8702 58.3740 27.5447 181.1927 4 V 3.2736 8.5029 117.5643 64.8263 33.8657 180.6428 5 S 4.1838 8.5303 119.3317 60.9028 62.1457 176.6716 6 P 4.3073 0.0000 0.0000 66.7268 30.3064 181.9999 7 T 4.1515 8.3881 118.1921 66.5873 69.6275 178.9896 8 R 4.3296 7.9610 125.0933 63.1430 29.3505 181.4002 9 M 4.1304 8.1291 120.6864 61.5771 31.1626 180.7484 10 N 5.0004 8.4478 119.7126 55.7887 38.4422 179.5542 11 L 3.9532 8.5297 126.4280 59.7802 41.1290 184.6976 12 L 4.2440 8.0876 123.1799 61.7437 40.7641 184.4529 13 Q 4.0203 8.3549 120.7757 62.2193 27.7826 182.3598 14 R 4.2301 9.0684 123.2524 62.2931 29.9964 182.0757 15 R 4.1933 7.9595 121.4443 61.3029 29.4474 180.9859 16 G 4.3163 8.2735 110.0979 47.2275 0.0000 175.4431 17 Q 4.3680 8.0459 124.3171 59.4314 28.8843 181.8949 18 L 4.1546 8.6072 125.2666 61.3807 40.6073 184.0215 19 R 4.3077 8.0226 123.9248 61.3641 29.7258 181.6450 20 L 4.3345 7.8638 121.0090 60.4296 40.9514 182.8866 21 A 4.0631 8.1575 123.1271 56.2589 18.0683 179.9763 22 Q 4.0367 8.6011 119.8199 61.0557 28.2956 182.8428 23 K 4.3770 8.0650 123.8994 59.3479 31.5849 182.4190 24 G 4.0048 8.1499 108.6021 48.9697 0.0000 176.8219 25 V 3.8210 7.8845 124.0533 65.6282 31.8895 180.0607 26 D 4.6827 7.9700 123.3713 59.7174 39.4944 183.1332 27 L 4.4096 8.0804 125.7783 59.3171 40.9190 181.7150 28 L 4.3917 7.9489 123.5693 59.7358 40.8870 184.5107 29 K 4.1835 8.0425 124.9784 60.8806 31.6396 183.8175 30 K 4.1409 8.0888 127.2150 60.8203 31.5207 181.0794 31 K 4.3696 7.9121 125.5945 61.2977 31.5972 181.8839 32 R 4.2376 8.4833 123.1567 61.8975 29.3877 181.7201 33 D 4.5512 7.8898 121.3725 58.8152 39.9706 179.7673 34 A 4.3680 9.1517 126.9175 54.4075 18.1485 179.8804 35 L 3.9885 8.3076 120.9612 60.4193 40.7417 183.1565 36 V 3.8614 7.7831 119.2084 65.7353 31.1552 180.1298 37 A 4.1363 8.0470 122.8475 54.4634 18.0610 180.1210 38 E 4.0071 8.0325 119.6806 61.8780 29.7960 185.0000 *39 F 4.4878 7.9337 124.1090 61.5238 38.3917 180.4143 *40 F 4.3174 7.6993 120.4345 62.3118 37.7023 179.7174 41 G 4.1552 8.0288 107.9469 48.6444 0.0000 176.1876 42 L 4.0501 8.1319 126.7417 59.2964 41.2483 182.2702 43 V 3.4747 8.5885 117.7398 67.3889 31.2468 180.3266 44 R 4.1029 6.5124 121.1120 60.0439 29.6406 180.7424 45 E 3.9300 7.3538 111.0648 58.9320 29.9285 183.2301 46 A 4.1472 9.3604 122.9564 57.2789 20.1066 177.2766 47 M 4.4405 7.8837 112.2183 52.1651 33.9228 181.6045 48 E 4.2524 8.6826 116.3285 60.6041 29.5341 176.4971 49 A 4.2420 9.0858 128.0351 56.8766 18.0519 180.8752 50 R 4.3686 7.7304 118.3570 59.5750 29.4757 180.7781 51 K 4.1659 8.5376 124.9044 60.5213 31.3195 183.7482 52 A 4.2900 7.5437 122.6353 56.8137 18.3742 179.0199 53 L 3.6239 7.5045 115.4974 59.2230 41.5274 180.6732 54 D 4.6021 8.1891 121.9228 56.8414 40.8205 181.7711 55 Q 4.4078 7.4919 120.7321 55.0811 30.0959 178.3003 *132 R 4.4031 9.1267 117.2063 58.5338 30.6312 174.6796 *133 Y 4.1443 9.2726 125.3523 62.3699 37.3384 179.0964 134 A 4.2732 8.1500 122.3296 56.2711 18.3301 179.4165 135 E 4.3833 8.1787 114.9648 59.5396 30.2133 180.8291 136 A 4.3360 8.4014 123.0351 55.6823 18.4019 179.5309 137 L 4.1472 8.4302 123.0003 59.2147 40.3895 182.7653 138 I 4.3214 5.9690 126.3312 64.9720 36.4017 179.9868 139 R 4.1089 9.3051 124.5741 60.2716 28.7677 185.0000 140 V 3.2098 6.7214 115.4838 63.8556 33.7080 178.6391 141 A 4.8524 8.0046 120.0521 52.7663 19.1940 179.3504 142 N 4.4322 9.4444 123.2285 58.0381 37.5924 183.0677 143 T 4.3306 7.8386 118.5592 66.6646 69.0500 178.9066 144 E 4.2254 9.1786 124.8433 62.1051 29.4173 181.9669 145 T 4.1766 7.9026 117.6492 67.3691 69.0478 178.8083 146 R 4.2363 8.3814 126.3552 61.0320 29.2070 181.5571 147 L 3.9300 8.3454 121.7379 60.5986 41.6337 182.4255 148 K 4.5088 8.7616 126.8504 58.3276 31.7547 182.3978 149 K 4.4532 9.0014 124.2771 59.6535 30.8694 185.0000 150 I 3.7561 8.5500 118.7100 63.4442 36.7562 180.4582 151 G 4.2155 9.7396 107.8870 44.1078 0.0000 178.1265 152 E 3.3586 9.0402 121.4785 57.3576 33.1532 179.6559 153 E 4.5106 5.9000 125.1557 61.8425 30.4265 179.3168 154 I 4.0922 7.9460 121.7606 65.1922 35.1020 184.9967 155 K 4.7280 9.5447 126.6615 59.5310 32.3459 180.4599 156 K 4.9968 8.0467 121.0437 54.1870 33.4617 180.2891 157 T 4.2045 8.0503 116.3900 67.1891 68.2489 182.2063 158 T 4.0874 7.9561 116.8990 66.5333 68.5399 183.2829 159 R 4.1808 7.6605 122.8175 62.6017 29.4672 184.1670 160 R 4.3852 7.8382 122.0582 60.4309 29.7317 181.5042 161 V 3.9469 8.3339 120.1140 66.3202 30.9254 184.9402 162 N 3.8900 6.5528 115.7531 56.9935 38.8966 178.3027 163 A 4.2942 8.6009 124.8290 55.4030 18.5491 180.4599 164 L 4.1174 8.2323 123.6314 60.1218 40.8130 182.8432 165 E 4.4473 8.6072 120.6413 60.1689 29.1293 182.3377 166 Q 4.2946 6.7846 124.4879 61.4397 29.0243 182.2137 167 V 4.0584 7.8118 122.9330 66.6659 31.9612 181.5381 168 V 4.0089 7.6038 122.2846 65.6061 30.9223 180.7125 169 I 4.0805 7.7144 121.5294 65.8645 35.1717 181.8029 170 P 4.9618 0.0000 0.0000 64.5234 31.1318 180.1156 171 G 4.1999 8.0925 109.5140 50.2923 0.0000 176.6869 172 I 3.3498 7.7541 121.9964 65.2523 35.6336 179.9546 173 R 4.2088 7.9093 123.3922 59.5425 30.0133 181.5192 174 A 4.5411 8.4715 121.5357 53.1844 18.1162 179.9081 175 Q 3.8809 9.6961 128.8723 61.4109 28.3951 180.3147 176 I 4.0613 7.6459 122.4432 65.0417 35.4578 181.0745 177 R 4.2921 9.0516 123.9120 62.5217 29.1565 184.6456 *178 F 4.2987 8.8015 123.8756 63.2880 37.9186 179.8426 179 I 3.9059 8.1350 121.2579 66.3957 34.9109 180.0749 180 Q 4.3134 8.4385 122.9898 61.2096 28.2660 182.0358 181 Q 4.4015 8.2805 123.4654 59.5724 28.1994 180.9801 182 V 4.1423 7.7219 121.6115 67.2227 31.8430 183.4527 183 L 4.2271 8.0266 123.8852 60.2898 40.6226 182.3630 184 E 4.2688 8.9869 119.6996 62.6212 29.9735 181.4716 185 Q 3.9693 8.7294 120.3793 61.1846 27.7888 183.3854 186 R 3.9988 7.6681 121.6237 61.1916 30.4425 180.0363 187 E 5.0753 8.2429 114.6715 55.0961 31.9926 180.6952 188 R 3.8942 8.1256 123.8069 62.9295 29.5860 184.0441 189 E 4.3967 7.9456 120.4024 61.7809 29.9137 181.9113 190 D 4.6140 7.9357 124.7438 59.4359 39.5069 181.2474 191 T 4.2030 9.0079 119.7097 66.6770 68.1205 178.6096 *192 F 4.4494 8.2115 123.8286 62.3377 37.8533 182.3161 193 R 4.2384 7.9293 121.4132 62.0442 29.4789 183.3218 194 L 4.4231 7.9291 123.8871 60.3178 41.3419 183.0637 195 K 4.2501 7.8423 127.0670 60.2830 31.5322 181.7741 196 R 4.4249 8.0037 123.5131 62.4011 29.2049 181.1784 197 I 3.9022 7.7515 120.7635 65.3920 35.4429 180.9247 198 K 4.4143 8.0267 122.9107 60.6771 31.8492 180.1470 199 G 4.0298 8.3530 106.3437 48.7193 0.0000 177.0817 200 K 4.5318 9.1569 127.4697 59.0670 32.2412 181.3536 201 I 4.1454 8.6676 124.1946 64.8346 35.1348 180.3764 202 E 4.9478 7.7772 112.4934 55.3834 31.4165 178.4589 203 A 4.3362 8.4008 126.0196 56.2971 19.2698 181.0282 204 R 4.0743 8.1400 115.5611 59.3834 29.8512 179.1822 205 E 4.2514 7.8055 117.2244 56.4039 29.6511 180.3959 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 1 M 8.40 4.60 0.00 2.05 1.44 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 2 S 8.12 4.51 0.00 3.64 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 3 Q 10.23 4.21 0.00 1.97 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.36 0.00 0.00 0.00 0.00 0.00 2.36 1.93 0.00 4 V 8.50 3.27 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 0.66 0.00 0.00 0.93 0.00 0.00 5 S 8.53 4.18 0.00 3.62 3.93 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 0.00 0.00 0.00 6 P 0.00 4.31 0.00 1.99 1.89 0.00 3.69 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.61 0.00 7 T 8.39 4.15 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 8 R 7.96 4.33 0.00 1.76 1.99 0.00 3.27 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 9 M 8.13 4.13 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.47 0.00 10 N 8.45 5.00 0.00 2.72 2.83 0.00 0.00 7.35 6.34 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 11 L 8.53 3.95 0.00 1.60 1.70 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.09 4.24 0.00 1.64 1.71 0.92 0.72 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 13 Q 8.35 4.02 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 14 R 9.07 4.23 0.00 1.74 1.97 0.00 3.24 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 15 R 7.96 4.19 0.00 1.85 1.96 0.00 3.26 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 16 G 8.27 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 17 Q 8.05 4.37 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.63 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 18 L 8.61 4.15 0.00 1.59 1.70 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.02 4.31 0.00 1.85 1.88 0.00 3.24 0.00 0.00 3.26 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 20 L 7.86 4.33 0.00 1.60 1.70 0.92 1.24 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 21 A 8.16 4.06 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 22 Q 8.60 4.04 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 23 K 8.07 4.38 0.00 1.77 1.84 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.32 7.81 24 G 8.15 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 0.00 0.00 0.00 25 V 7.88 3.82 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 0.93 0.00 0.00 26 D 7.97 4.68 0.00 2.62 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 27 L 8.08 4.41 0.00 1.68 1.70 0.92 0.69 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 28 L 7.95 4.39 0.00 1.59 1.70 0.92 0.67 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 29 K 8.04 4.18 0.00 1.75 1.84 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.33 7.81 30 K 8.09 4.14 0.00 1.78 1.89 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.36 7.81 31 K 7.91 4.37 0.00 1.70 1.82 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.38 7.81 32 R 8.48 4.24 0.00 1.83 1.97 0.00 3.24 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 33 D 7.89 4.55 0.00 2.69 2.70 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 34 A 9.15 4.37 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 35 L 8.31 3.99 0.00 1.68 1.73 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 36 V 7.78 3.86 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 0.73 0.00 0.00 0.93 0.00 0.00 37 A 8.05 4.14 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 38 E 8.03 4.01 0.00 2.01 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 2.24 2.20 0.00 *39 F 7.93 4.49 0.00 2.25 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 0.00 0.00 0.00 0.00 *40 F 7.70 4.32 0.00 2.24 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 0.00 0.00 0.00 0.00 41 G 8.03 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 0.00 0.00 0.00 42 L 8.13 4.05 0.00 1.62 1.70 0.92 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.59 3.47 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 0.71 0.00 0.00 0.93 0.00 0.00 44 R 6.51 4.10 0.00 1.79 2.00 0.00 3.26 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.48 0.00 45 E 7.35 3.93 0.00 1.95 1.79 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 2.27 2.15 0.00 46 A 9.36 4.15 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 47 M 7.88 4.44 0.00 2.00 1.76 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.42 0.00 48 E 8.68 4.25 0.00 2.06 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 2.25 2.21 0.00 49 A 9.09 4.24 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 50 R 7.73 4.37 0.00 1.87 1.92 0.00 3.29 0.00 0.00 3.20 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 51 K 8.54 4.17 0.00 1.71 1.86 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.38 1.34 7.81 52 A 7.54 4.29 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 53 L 7.50 3.62 0.00 1.70 1.52 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.19 4.60 0.00 2.69 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 55 Q 7.49 4.41 0.00 2.02 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.56 0.00 0.00 0.00 0.00 0.00 2.31 2.18 0.00 *132 R 9.13 4.40 0.00 1.76 1.58 0.00 3.23 0.00 0.00 3.37 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.20 0.00 *133 Y 9.27 4.14 0.00 2.31 2.35 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 0.00 134 A 8.15 4.27 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 0.00 135 E 8.18 4.38 0.00 2.02 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 2.17 2.18 0.00 136 A 8.40 4.34 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 0.00 137 L 8.43 4.15 0.00 1.67 1.44 0.92 0.89 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 0.00 138 I 5.97 4.32 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 1.38 1.10 0.91 0.00 0.00 139 R 9.31 4.11 0.00 1.78 1.77 0.00 3.25 0.00 0.00 3.20 8.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 140 V 6.72 3.21 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 0.72 0.00 0.00 0.93 0.00 0.00 141 A 8.00 4.85 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 0.00 142 N 9.44 4.43 0.00 2.57 2.83 0.00 0.00 7.08 7.10 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 0.00 143 T 7.84 4.33 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 0.00 144 E 9.18 4.23 0.00 1.88 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 2.25 2.21 0.00 145 T 7.90 4.18 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 0.00 146 R 8.38 4.24 0.00 1.76 1.85 0.00 3.27 0.00 0.00 3.20 8.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 147 L 8.35 3.93 0.00 1.61 1.62 0.92 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 148 K 8.76 4.51 0.00 1.78 1.85 0.00 1.78 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.32 7.81 149 K 9.00 4.45 0.00 1.80 1.49 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.33 7.81 150 I 8.55 3.76 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 1.57 0.52 0.91 0.00 0.00 151 G 9.74 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 0.00 0.00 0.00 0.00 152 E 9.04 3.36 0.00 2.03 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 2.29 1.99 0.00 153 E 5.90 4.51 0.00 2.05 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 2.22 2.19 0.00 154 I 7.95 4.09 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 1.38 0.54 0.91 0.00 0.00 155 K 9.54 4.73 0.00 1.77 1.82 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.39 7.81 156 K 8.05 5.00 0.00 1.57 1.75 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.25 1.21 7.81 157 T 8.05 4.20 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 0.00 158 T 7.96 4.09 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 0.00 159 R 7.66 4.18 0.00 1.86 1.95 0.00 3.24 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 160 R 7.84 4.39 0.00 1.94 1.88 0.00 3.24 0.00 0.00 3.26 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 161 V 8.33 3.95 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 0.71 0.00 0.00 0.93 0.00 0.00 162 N 6.55 3.89 0.00 2.77 2.69 0.00 0.00 7.19 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 A 8.60 4.29 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 0.00 164 L 8.23 4.12 0.00 1.68 1.69 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 165 E 8.61 4.45 0.00 1.97 1.77 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 2.31 1.94 0.00 166 Q 6.78 4.29 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.92 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 167 V 7.81 4.06 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 0.71 0.00 0.00 0.93 0.00 0.00 168 V 7.60 4.01 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 0.71 0.00 0.00 0.93 0.00 0.00 169 I 7.71 4.08 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 1.38 0.54 0.91 0.00 0.00 170 P 0.00 4.96 0.00 2.16 1.96 0.00 3.71 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 1.92 1.65 0.00 171 G 8.09 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 0.00 0.00 0.00 0.00 172 I 7.75 3.35 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 1.50 0.68 0.91 0.00 0.00 173 R 7.91 4.21 0.00 1.92 1.90 0.00 3.24 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 1.59 1.54 0.00 174 A 8.47 4.54 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 0.00 175 Q 9.70 3.88 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.83 0.00 0.00 0.00 0.00 0.00 2.37 2.02 0.00 176 I 7.65 4.06 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 1.38 0.53 0.91 0.00 0.00 177 R 9.05 4.29 0.00 1.71 1.96 0.00 3.26 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 *178 F 8.80 4.30 0.00 2.24 2.35 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 0.00 179 I 8.13 3.91 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 1.50 0.53 0.91 0.00 0.00 180 Q 8.44 4.31 0.00 2.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 181 Q 8.28 4.40 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.71 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 182 V 7.72 4.14 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 0.72 0.00 0.00 0.93 0.00 0.00 183 L 8.03 4.23 0.00 1.65 1.61 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 184 E 8.99 4.27 0.00 1.96 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 2.25 2.22 0.00 185 Q 8.73 3.97 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.40 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 186 R 7.67 4.00 0.00 1.86 1.88 0.00 3.17 0.00 0.00 3.20 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 187 E 8.24 5.08 0.00 1.78 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 2.12 2.08 0.00 188 R 8.13 3.89 0.00 1.95 1.88 0.00 3.23 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 189 E 7.95 4.40 0.00 2.10 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 2.24 2.19 0.00 190 D 7.94 4.61 0.00 2.65 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 T 9.01 4.20 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 *192 F 8.21 4.45 0.00 2.30 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 0.00 0.00 0.00 0.00 193 R 7.93 4.24 0.00 1.93 1.88 0.00 3.23 0.00 0.00 3.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 194 L 7.93 4.42 0.00 1.65 1.69 0.92 0.62 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 0.00 195 K 7.84 4.25 0.00 1.76 1.86 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.34 7.81 196 R 8.00 4.42 0.00 1.76 1.96 0.00 3.26 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 197 I 7.75 3.90 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 1.38 1.10 0.91 0.00 0.00 198 K 8.03 4.41 0.00 1.75 1.89 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.13 7.81 199 G 8.35 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 0.00 200 K 9.16 4.53 0.00 1.74 1.79 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.39 7.81 201 I 8.67 4.15 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 1.38 0.54 0.91 0.00 0.00 202 E 7.78 4.95 0.00 1.92 1.77 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 2.11 1.83 0.00 203 A 8.40 4.34 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 0.00 204 R 8.14 4.07 0.00 1.83 1.86 0.00 3.27 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.44 0.00 205 E 7.81 4.25 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 2.26 2.12 0.00 * Residues marked with a * may have inaccurate shift predictions.