NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 N 4.9280 8.2676 119.4825 53.1203 41.6205 174.7697 12 P 4.6888 0.0000 0.0000 60.2815 31.7944 173.6597 13 I 4.2318 8.5885 114.5715 59.3253 40.2035 176.1183 14 Y 4.6792 8.2001 122.1088 55.7571 40.2029 176.1482 15 F 4.2712 9.4492 124.2174 61.6827 39.6159 177.5749 16 E 3.8416 8.3180 117.3886 58.9040 29.7033 179.0051 17 S 4.2161 8.0467 115.7471 60.9647 63.1178 174.8234 18 I 4.0029 7.2308 122.1603 60.7464 37.4103 175.2326 19 Q 4.4925 9.4427 123.7733 53.5792 30.7976 175.1373 20 I 3.7835 8.2103 122.0612 63.0855 37.5260 175.5078 21 G 4.0931 8.8296 113.4441 45.6434 0.0000 174.2999 22 E 4.1600 8.0737 119.7188 56.3648 30.4487 176.1669 23 K 5.1818 8.6493 124.2863 54.8012 35.5295 174.8494 24 I 4.5260 9.3681 128.1176 59.5112 39.8495 174.0222 25 E 4.6893 8.8313 128.2273 54.4407 30.5266 175.7137 26 G 3.9310 8.9675 115.3715 45.4967 0.0000 172.3688 27 L 4.3652 8.2616 122.9516 53.3951 42.7243 174.9989 28 P 5.0202 0.0000 0.0000 62.5464 32.1632 175.8698 29 R 4.7010 8.1953 117.4640 55.1620 33.0534 173.9603 30 T 4.7223 8.4744 118.8937 62.8732 69.1240 174.9590 31 V 3.9414 8.4242 127.7647 62.0664 32.2578 175.5237 32 T 4.6922 8.8863 117.6385 59.2552 70.9583 174.1648 33 E 4.0815 8.8335 123.2501 59.8270 29.4050 178.5356 34 T 3.9450 7.9984 115.1207 66.8256 68.4905 175.8997 35 D 4.3767 8.0174 119.9930 57.4927 40.9242 178.5755 36 I 3.7616 7.8953 119.9998 64.5054 37.2224 178.6039 37 W 3.2863 8.9142 119.9188 59.6816 28.7010 178.7660 38 T 3.8096 8.2168 116.0952 66.6045 67.9370 176.4440 39 F 3.9155 8.2382 122.2874 61.0857 39.3657 177.0054 40 A 3.6397 7.8085 120.4753 55.0347 17.9506 179.1404 41 Y 4.3998 7.9926 115.5450 61.3787 37.8225 178.4024 42 L 3.9403 7.8970 120.1854 58.1106 42.2200 178.2983 43 T 4.1135 7.4367 105.6899 60.3326 69.2468 174.1142 44 A 3.8470 7.5757 123.1167 53.4226 16.8295 176.8769 45 D 4.7711 7.7119 118.9314 54.4322 42.2809 176.4709 46 F 4.2786 8.4253 129.7758 55.7134 38.0924 176.1369 47 F 4.0597 8.1228 123.7798 57.2201 40.2625 173.8279 48 P 3.8304 0.0000 0.0000 65.6216 30.4639 178.0913 49 L 4.1652 7.0596 119.9483 57.4944 42.3473 177.8410 50 H 4.7194 8.2445 115.1697 56.7480 29.6035 175.8262 51 T 4.3896 7.6326 106.2554 60.7994 69.2387 173.2501 52 D 4.7564 8.2227 122.0999 52.0316 41.9283 175.8888 53 V 3.7438 8.7273 126.6110 66.2599 31.2286 177.3927 54 E 4.0728 8.2789 116.4061 59.3169 29.8151 178.6504 55 F 4.1623 8.9345 120.6419 61.3017 39.5091 176.8705 56 A 4.2675 8.4548 120.4261 55.4010 17.8843 179.5735 57 K 4.4565 7.5165 116.2031 58.7778 32.2164 178.1199 58 K 4.1995 7.6306 115.4056 56.6999 32.1936 176.6561 59 T 4.3958 7.5827 110.9592 59.7343 70.5493 175.4064 60 I 3.7422 8.0390 120.7580 62.7863 37.9985 176.1423 61 F 4.6705 7.9848 117.1424 57.7150 40.2021 176.6543 62 G 4.4048 8.4949 113.6016 45.2759 0.0000 173.6858 63 K 5.0169 7.8145 116.6046 53.1476 34.9132 173.9906 64 P 4.7949 0.0000 0.0000 62.7209 32.1236 175.2771 65 I 4.6799 7.5551 111.7504 58.6406 40.6996 174.8942 66 A 4.1212 8.0897 124.6206 51.8136 19.1896 177.5896 67 Q 3.5946 8.1117 118.6765 54.5897 30.4297 178.9456 68 G 2.7692 7.9144 111.1465 45.4137 0.0000 175.3522 *70 L 3.2528 8.1452 122.4731 54.2911 43.8065 178.8273 71 V 3.4919 7.3343 117.6409 65.7637 31.2224 177.7319 72 L 3.9281 8.0245 120.0708 58.2149 41.9548 179.0976 73 S 4.0910 7.8804 114.5052 61.8347 62.6624 176.6591 74 I 3.6646 7.8367 121.1697 64.1315 36.8202 178.1339 75 A 4.0739 7.8737 120.8862 55.2934 18.5799 179.2190 76 L 4.0016 8.1696 117.5049 57.6970 41.5855 180.5602 77 G 3.7789 7.9501 102.1548 45.5113 0.0000 175.2763 *79 V 3.9803 7.7213 122.3363 62.5658 33.4177 177.1543 80 D 4.2441 8.0976 118.6673 57.1369 40.7526 177.8030 81 Q 4.0229 8.0384 120.3908 59.1214 28.7098 178.7208 82 V 3.5975 7.3346 118.6142 65.9178 31.9261 177.8419 83 I 4.0402 7.6817 119.0786 64.5218 36.8531 178.0708 84 L 4.0672 8.3039 119.1208 57.3427 41.4807 178.8107 85 S 4.6532 7.4626 111.1770 58.2397 63.4199 174.2240 86 N 4.7266 8.0434 117.8138 52.9662 40.4534 173.6842 87 Y 5.3901 7.3608 113.0480 55.2420 42.3912 174.2978 88 D 4.5991 8.2915 121.3758 53.6639 40.9180 176.6677 89 V 4.0042 8.2743 120.1672 61.6377 31.4031 178.7034 90 S 4.2211 8.1737 117.4702 60.7500 63.0719 175.4834 91 S 4.1503 7.8046 115.0304 59.6776 63.3342 173.5398 92 V 4.1388 7.3663 121.4885 62.5100 30.1835 176.0721 93 I 4.0363 8.4784 128.2905 63.7773 37.3722 176.2275 94 A 4.6257 7.6810 121.0275 50.7651 22.8875 174.8063 95 F 4.9471 8.7990 122.2863 57.6269 39.1297 175.3957 96 F 4.0618 9.6656 129.8264 59.4140 39.4237 175.4416 97 G 3.8774 7.5016 101.5020 46.1190 0.0000 171.2218 98 I 4.6527 8.2500 119.9139 59.2987 38.8107 175.6696 99 K 3.9600 9.1828 129.1258 58.8100 31.5031 175.7348 100 D 5.0259 7.9148 117.3118 51.5432 43.7077 174.2314 101 V 4.6919 8.1813 119.0656 61.3232 34.6970 174.4175 102 R 4.3232 9.0999 126.8603 54.3772 33.1241 174.9230 103 F 4.8688 8.5462 123.5400 56.7121 38.5402 176.0284 104 L 4.2658 8.6806 123.6502 57.0675 41.8035 177.2636 105 R 4.9122 7.8356 117.5201 53.5764 33.0823 172.8906 106 P 4.3629 0.0000 0.0000 62.5134 32.9216 175.3759 107 V 4.3044 7.7828 121.0749 61.3291 33.5392 175.1146 108 F 4.8958 9.4611 127.2420 56.0574 40.2458 176.9256 109 I 3.7679 8.6565 123.5315 63.9739 36.9327 177.0960 110 G 4.0917 7.9674 106.0056 45.0274 0.0000 173.1092 111 D 4.9091 8.3677 120.9199 54.0768 42.4185 175.7248 112 T 5.0074 8.5256 118.1904 62.0075 70.9267 173.2559 113 I 4.7433 8.2320 120.5544 59.6131 40.3755 174.7284 114 A 4.9843 8.9378 124.7588 50.2888 22.4035 174.9331 115 A 5.4453 8.6745 123.2778 50.2209 22.7117 175.2725 116 S 5.2328 9.2979 113.5317 56.6781 67.0480 172.8008 117 A 5.4000 9.1618 123.2657 50.2682 22.3340 174.5816 118 E 5.1589 8.9484 121.8526 54.0924 33.5288 174.9041 119 V 3.7307 8.8235 127.5740 63.1795 32.0074 176.3832 120 V 4.4607 8.1602 120.0225 61.1948 33.7702 175.2521 121 E 4.7228 7.5439 119.7439 55.1257 33.0394 173.8031 122 K 5.3184 8.4038 123.3724 54.9591 36.3002 175.6656 123 Q 4.6816 9.1229 122.0107 54.3374 32.1271 174.0290 124 D 4.4461 8.9392 121.9790 54.7867 41.7669 174.4775 125 F 4.6320 8.6337 123.6997 59.2153 41.6455 174.2540 126 D 4.5210 7.9438 117.4802 52.2824 41.7705 175.0848 127 E 4.2058 8.7283 115.9098 58.3084 29.8291 177.2554 128 K 4.5157 8.2272 118.3016 56.1418 33.7934 175.1016 129 S 4.8716 7.6132 111.5179 57.7625 66.6741 174.1673 130 G 3.3922 8.2441 106.5935 44.3890 0.0000 171.6618 131 V 4.6128 8.1396 113.9482 59.4423 33.9199 175.2657 132 V 4.7451 8.9252 125.2069 61.4277 34.1592 174.2123 133 T 4.9892 8.3927 124.0149 62.0189 71.0043 172.9896 134 Y 4.9461 9.2800 124.1453 55.8991 41.6984 174.4661 135 K 4.7868 8.8776 124.2355 54.8700 34.2205 174.5711 136 L 5.2780 9.6160 131.2997 53.7930 44.3401 174.9019 137 E 5.0694 9.4005 125.0412 54.5936 33.7056 174.5502 138 V 5.0032 8.8445 124.5246 60.8238 34.4440 174.2521 139 K 5.2069 9.3442 127.2690 55.0184 35.9748 176.3773 140 N 5.4959 9.1146 120.7597 51.1166 38.8456 175.5322 141 Q 4.0776 8.7439 115.3270 58.7279 28.2925 177.7191 142 R 4.3946 8.2802 115.4418 55.7866 29.9043 178.5196 143 G 4.0036 8.1191 107.2816 46.9275 0.0000 175.0330 144 E 3.9718 7.7289 120.0020 56.2178 29.9567 176.0852 145 L 4.7129 8.3554 124.8835 54.6107 42.1636 176.3405 146 V 4.2069 8.6252 120.9665 63.0988 33.2836 176.1860 147 L 5.1410 7.6100 120.2852 53.9575 45.8075 174.5231 148 T 5.1880 8.7219 117.9612 60.7988 71.2393 172.2515 149 A 5.0632 8.9440 127.5264 51.0546 23.7823 174.7353 150 L 5.4669 9.3306 121.5945 53.5199 44.7203 175.0475 151 Y 5.7200 9.0660 123.9430 55.4866 42.2234 174.2732 152 S 5.1531 9.8595 114.1981 56.8118 67.0535 172.6269 153 A 5.3180 9.4077 123.2576 50.2051 22.9070 174.8200 154 L 4.7635 9.1087 123.6307 53.7063 43.5409 175.3592 155 I 4.9907 8.4178 120.5459 58.6070 40.7615 175.2038 156 R 4.5490 9.2031 125.5396 56.8714 31.1067 175.6481 157 K 5.1918 8.6249 124.6221 54.4413 33.8392 176.9768 158 T 2.9331 8.3222 119.6648 63.1951 68.9686 172.9369 159 P 4.3668 0.0000 0.0000 62.8453 31.3880 176.3202 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 11 N 8.27 4.93 0.00 2.83 2.92 0.00 0.00 6.82 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.69 0.00 1.79 1.92 0.00 3.45 0.00 0.00 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 13 I 8.59 4.23 1.58 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.46 0.15 0.00 0.00 14 Y 8.20 4.68 0.00 3.13 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 15 F 9.45 4.27 0.00 3.17 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 16 E 8.32 3.84 0.00 2.13 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 0.00 2.43 2.29 0.00 17 S 8.05 4.22 0.00 4.00 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 18 I 7.23 4.00 1.75 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 1.47 0.71 0.77 0.00 0.00 19 Q 9.44 4.49 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.91 0.00 0.00 0.00 0.00 0.00 2.34 2.22 0.00 20 I 8.21 3.78 1.79 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 1.21 0.40 0.87 0.00 0.00 21 G 8.83 4.09 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 0.00 0.00 0.00 22 E 8.07 4.16 0.00 1.95 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 23 K 8.65 5.18 0.00 1.73 1.65 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.63 7.81 24 I 9.37 4.53 1.92 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 1.20 0.72 0.98 0.00 0.00 25 E 8.83 4.69 0.00 1.95 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 2.21 2.36 0.00 26 G 8.97 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 0.00 0.00 0.00 27 L 8.26 4.37 0.00 1.61 1.58 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 5.02 0.00 1.98 1.97 0.00 3.78 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 2.03 1.93 0.00 29 R 8.20 4.70 0.00 1.83 1.96 0.00 2.95 0.00 0.00 3.32 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 30 T 8.47 4.72 4.25 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 1.33 0.00 0.00 31 V 8.42 3.94 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 0.66 0.00 0.00 0.89 0.00 0.00 32 T 8.89 4.69 4.25 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 1.38 0.00 0.00 33 E 8.83 4.08 0.00 2.04 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 1.97 2.09 0.00 34 T 8.00 3.94 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 35 D 8.02 4.38 0.00 2.98 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 36 I 7.90 3.76 2.32 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 1.88 0.98 0.77 0.00 0.00 37 W 8.91 3.29 0.00 3.36 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 38 T 8.22 3.81 4.45 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 1.29 0.00 0.00 39 F 8.24 3.92 0.00 3.14 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 40 A 7.81 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 7.99 4.40 0.00 3.12 2.93 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 42 L 7.90 3.94 0.00 1.63 1.62 0.88 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.44 4.11 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 44 A 7.58 3.85 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 45 D 7.71 4.77 0.00 2.64 2.45 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 46 F 8.43 4.28 0.00 2.97 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 47 F 8.12 4.06 0.00 3.25 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 48 P 0.00 3.83 0.00 0.49 1.63 0.00 2.33 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.80 0.00 49 L 7.06 4.17 0.00 1.89 1.70 0.89 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 50 H 8.24 4.72 0.00 3.04 3.09 0.00 5.65 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 7.63 4.39 4.13 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 0.00 0.00 0.00 -0.37 0.00 0.00 52 D 8.22 4.76 0.00 2.62 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 53 V 8.73 3.74 2.17 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 1.08 0.00 0.00 1.05 0.00 0.00 54 E 8.28 4.07 0.00 2.14 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 2.36 2.46 0.00 55 F 8.93 4.16 0.00 3.07 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 56 A 8.45 4.27 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 7.52 4.46 0.00 1.97 1.91 0.00 1.69 0.00 0.00 1.58 0.00 0.00 3.07 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.62 7.81 58 K 7.63 4.20 0.00 1.50 1.69 0.00 1.52 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.29 7.81 59 T 7.58 4.40 4.42 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 1.32 0.00 0.00 60 I 8.04 3.74 1.66 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.65 0.05 0.00 0.00 61 F 7.98 4.67 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 62 G 8.49 4.40 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 0.00 63 K 7.81 5.02 0.00 1.98 1.88 0.00 1.79 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.21 7.81 64 P 0.00 4.79 0.00 2.32 2.19 0.00 3.84 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 2.14 2.11 0.00 65 I 7.56 4.68 1.48 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.46 0.37 0.00 0.00 66 A 8.09 4.12 1.08 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 0.00 0.00 67 Q 8.11 3.59 0.00 1.45 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.16 0.00 0.00 0.00 0.00 0.00 2.24 1.53 0.00 68 G 7.91 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 0.00 0.00 0.00 *70 L 8.15 3.25 0.00 0.47 1.34 0.73 0.76 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 71 V 7.33 3.49 2.17 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 0.92 0.00 0.00 0.82 0.00 0.00 72 L 8.02 3.93 0.00 1.99 1.67 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 73 S 7.88 4.09 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 74 I 7.84 3.66 1.81 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 1.42 0.56 0.88 0.00 0.00 75 A 7.87 4.07 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 76 L 8.17 4.00 0.00 1.55 1.45 0.87 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.95 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 0.00 0.00 0.00 *79 V 7.72 3.98 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 0.93 0.00 0.00 0.94 0.00 0.00 80 D 8.10 4.24 0.00 2.81 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 81 Q 8.04 4.02 0.00 2.33 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 82 V 7.33 3.60 2.24 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 0.90 0.00 0.00 0.97 0.00 0.00 83 I 7.68 4.04 2.01 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.79 1.00 0.00 0.00 84 L 8.30 4.07 0.00 1.84 1.74 0.91 0.92 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 85 S 7.46 4.65 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 86 N 8.04 4.73 0.00 2.38 1.98 0.00 0.00 6.65 6.74 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 87 Y 7.36 5.39 0.00 2.90 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 88 D 8.29 4.60 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 89 V 8.27 4.00 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 0.82 0.00 0.00 0.93 0.00 0.00 90 S 8.17 4.22 0.00 3.99 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 91 S 7.80 4.15 0.00 3.82 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 92 V 7.37 4.14 2.17 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 0.73 0.00 0.00 0.89 0.00 0.00 93 I 8.48 4.04 2.04 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 1.18 0.86 0.94 0.00 0.00 94 A 7.68 4.63 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 95 F 8.80 4.95 0.00 3.02 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 96 F 9.67 4.06 0.00 3.16 3.24 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 97 G 7.50 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 98 I 8.25 4.65 1.86 0.00 0.00 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 1.38 0.49 1.07 0.00 0.00 99 K 9.18 3.96 0.00 1.84 1.76 0.00 1.77 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.45 7.81 100 D 7.91 5.03 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 0.00 101 V 8.18 4.69 1.83 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 0.24 0.00 0.00 0.88 0.00 0.00 102 R 9.10 4.32 0.00 1.62 1.71 0.00 3.13 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.49 0.00 103 F 8.55 4.87 0.00 2.95 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 0.00 104 L 8.68 4.27 0.00 1.72 1.75 0.97 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 105 R 7.84 4.91 0.00 1.94 1.78 0.00 3.37 0.00 0.00 3.34 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 106 P 0.00 4.36 0.00 1.40 1.86 0.00 3.87 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.20 0.00 107 V 7.78 4.30 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 0.95 0.00 0.00 0.87 0.00 0.00 108 F 9.46 4.90 0.00 3.40 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 0.00 109 I 8.66 3.77 1.97 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 1.44 0.58 0.96 0.00 0.00 110 G 7.97 4.09 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 0.00 0.00 0.00 111 D 8.37 4.91 0.00 2.76 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.53 5.01 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 113 I 8.23 4.74 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.70 0.90 0.00 0.00 114 A 8.94 4.98 1.22 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 0.00 115 A 8.67 5.45 1.22 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 0.00 116 S 9.30 5.23 0.00 3.82 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 0.00 117 A 9.16 5.40 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 0.00 118 E 8.95 5.16 0.00 2.05 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 2.16 2.47 0.00 119 V 8.82 3.73 2.04 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 0.55 0.00 0.00 0.73 0.00 0.00 120 V 8.16 4.46 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 0.72 0.00 0.00 0.90 0.00 0.00 121 E 7.54 4.72 0.00 1.94 1.64 0.00 0.00 0.00 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 2.30 0.00 122 K 8.40 5.32 0.00 1.54 1.60 0.00 1.58 0.00 0.00 1.47 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.14 1.25 7.81 123 Q 9.12 4.68 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.95 0.00 0.00 0.00 0.00 0.00 2.22 2.36 0.00 124 D 8.94 4.45 0.00 2.74 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 F 8.63 4.63 0.00 2.69 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 D 7.94 4.52 0.00 2.77 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 0.00 127 E 8.73 4.21 0.00 2.09 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 2.28 2.27 0.00 128 K 8.23 4.52 0.00 2.03 1.88 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.35 7.81 129 S 7.61 4.87 0.00 3.89 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 0.00 130 G 8.24 3.39 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 0.00 131 V 8.14 4.61 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.78 0.00 0.00 132 V 8.93 4.75 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 0.36 0.00 0.00 1.10 0.00 0.00 133 T 8.39 4.99 4.13 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 0.00 0.00 0.00 1.18 0.00 0.00 134 Y 9.28 4.95 0.00 1.43 2.45 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 0.00 135 K 8.88 4.79 0.00 1.79 1.67 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.37 7.81 136 L 9.62 5.28 0.00 2.08 1.78 1.04 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 137 E 9.40 5.07 0.00 1.91 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 2.23 2.24 0.00 138 V 8.84 5.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.94 0.00 0.00 139 K 9.34 5.21 0.00 1.82 1.86 0.00 1.37 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.36 7.81 140 N 9.11 5.50 0.00 3.02 3.05 0.00 0.00 6.59 6.68 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 0.00 141 Q 8.74 4.08 0.00 2.24 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.07 0.00 0.00 0.00 0.00 0.00 2.44 2.34 0.00 142 R 8.28 4.39 0.00 2.04 2.18 0.00 2.93 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 143 G 8.12 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 0.00 144 E 7.73 3.97 0.00 2.20 1.92 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 2.36 2.45 0.00 145 L 8.36 4.71 0.00 1.60 1.62 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 146 V 8.63 4.21 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 0.65 0.00 0.00 1.01 0.00 0.00 147 L 7.61 5.14 0.00 1.74 1.46 1.10 0.61 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 0.00 148 T 8.72 5.19 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 1.16 0.00 0.00 149 A 8.94 5.06 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 L 9.33 5.47 0.00 1.93 1.54 0.96 0.95 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 0.00 151 Y 9.07 5.72 0.00 3.56 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 0.00 152 S 9.86 5.15 0.00 3.96 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 A 9.41 5.32 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 0.00 154 L 9.11 4.76 0.00 1.68 1.56 0.34 0.67 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 0.00 155 I 8.42 4.99 1.91 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.00 0.98 0.00 0.00 156 R 9.20 4.55 0.00 2.05 1.94 0.00 3.21 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.96 0.00 157 K 8.62 5.19 0.00 1.72 1.93 0.00 1.85 0.00 0.00 1.59 0.00 0.00 3.18 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.72 1.21 7.81 158 T 8.32 2.93 4.07 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 0.81 0.00 0.00 159 P 0.00 4.37 0.00 1.96 1.93 0.00 3.28 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.05 0.00 * Residues marked with a * may have inaccurate shift predictions.