NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 115 K 4.1149 8.1733 120.1187 56.3278 34.4123 177.7126 116 L 3.5558 7.6229 118.4851 57.0785 41.2250 177.7392 117 H 4.0627 8.7906 119.2030 59.3372 30.2824 176.7800 118 E 4.0298 8.0691 119.9056 59.2660 29.3163 179.3742 119 I 3.9139 7.5730 119.9457 64.3625 37.1637 178.3576 120 K 4.0401 7.9186 122.5160 60.2708 31.8784 179.4016 121 Q 3.9976 8.3915 121.1642 59.9647 27.9386 180.0934 122 E 4.2786 8.0002 119.8140 58.7344 29.9280 178.4331 123 L 3.9303 8.2587 121.6441 57.7597 41.5130 180.1733 124 K 4.1210 8.1533 123.2445 59.8683 31.9068 180.9596 125 D 4.5619 7.7662 119.3899 57.7040 40.8801 178.6901 126 L 3.8929 7.9757 120.1636 57.9880 41.6318 178.3547 127 F 5.1412 7.8927 114.6860 58.5262 38.6112 176.3142 128 S 4.8188 7.7385 112.6565 58.2602 64.7593 174.4917 129 H 4.5703 8.2759 119.8021 57.8760 28.9579 175.9810 130 L 4.5457 7.6646 118.3533 51.4062 42.4318 178.3816 131 P 4.4896 0.0000 0.0000 62.8439 31.6683 175.7973 132 Y 4.5781 8.0822 119.3465 55.7861 41.5996 176.9604 133 K 4.3646 9.3829 122.7446 55.9253 30.4961 174.2563 134 I 4.2660 7.6768 121.9379 59.8178 38.6702 173.8565 135 N 4.8014 9.2549 126.2299 54.4596 40.0382 174.3816 136 K 4.5872 7.8045 117.2289 55.1023 35.4792 174.6115 137 V 4.9026 8.4160 122.9303 61.1341 32.7351 173.3878 138 E 4.7617 9.1971 126.3130 54.2214 32.2817 175.0006 139 V 4.9001 8.2204 122.4986 61.1707 34.1565 174.6138 140 S 4.6713 8.7445 121.2046 56.5157 67.0086 173.1581 141 L 4.3041 8.4310 123.3679 55.3501 42.5150 175.2648 142 Y 4.4711 9.1127 127.1405 58.7696 40.1138 174.8254 143 E 4.6503 7.7502 116.4401 53.4026 33.8973 172.5157 144 P 4.3245 0.0000 0.0000 64.6012 31.3813 177.0153 145 G 3.9288 9.3131 111.0392 45.4250 0.0000 171.8412 146 V 5.0492 8.1147 119.5069 60.8919 34.8634 174.1630 147 L 5.0813 9.0358 127.9727 52.9385 44.3204 175.2075 148 L 4.6712 9.0349 126.4161 54.4653 43.5405 175.1619 149 I 4.8281 8.8783 128.0054 59.6405 39.5955 174.0783 150 D 5.2946 9.1427 127.4278 52.5383 43.8760 174.4502 151 I 5.5692 8.9339 127.1420 58.7734 40.7585 174.4638 152 D 4.8622 9.1642 124.8370 52.4723 45.7079 174.1316 153 G 4.4878 8.0949 107.8591 44.0945 0.0000 172.6101 154 E 4.1427 8.2491 118.8806 58.9991 29.7544 177.2164 155 D 4.8935 7.7934 118.6394 54.7358 41.6687 178.9918 156 S 4.0510 8.0992 117.2112 61.3190 63.3285 175.0093 157 A 4.0594 7.8970 123.3779 54.2128 18.0199 178.7835 158 L 4.2071 7.3944 115.6600 56.2778 41.9418 177.5083 159 L 4.3796 7.2897 116.7692 54.7958 43.1360 177.7774 160 I 3.5242 7.5616 119.9921 62.8773 37.6443 177.1813 161 G 3.9063 7.9520 108.6257 44.9335 0.0000 172.5798 162 E 4.1554 8.9961 116.6983 57.5547 29.3705 177.6366 163 K 3.7340 9.6816 126.6464 54.7544 29.3846 172.5679 164 G 3.9550 8.5591 105.9075 47.6708 0.0000 176.4539 165 Y 4.2681 7.8025 121.1055 59.9371 37.8359 178.1031 166 R 3.5145 7.0579 119.3476 58.6328 30.2315 178.0578 167 Y 3.8456 7.7262 119.5110 60.4423 38.7392 178.1323 168 K 4.0632 8.3374 120.3936 59.3436 32.3047 178.5891 169 A 4.0515 8.1162 121.0160 55.3698 18.2955 179.4762 170 L 3.9211 8.1686 118.0575 58.0349 41.7705 180.0777 171 S 3.9667 7.9676 114.0810 61.4782 62.8827 176.2206 172 Y 3.9598 8.0334 120.3492 60.8930 37.5557 178.5396 173 L 4.2233 8.3376 120.0217 57.8204 41.6385 179.6551 174 L 4.3104 8.4698 119.4705 57.5454 41.4742 179.2714 175 F 4.0367 8.2402 120.4239 61.5185 39.2341 177.0746 176 N 4.4526 8.7438 114.7449 55.3376 38.5710 176.8045 177 W 4.6175 7.9906 130.0029 60.1899 31.2011 178.3630 178 I 3.4360 7.9145 120.1345 64.1580 36.5915 178.0625 179 H 4.0409 7.9742 120.7883 58.2871 29.4273 175.6808 180 P 4.1443 0.0000 0.0000 65.6051 31.2374 178.5840 181 T 3.7940 7.3629 113.2093 66.0591 68.5943 175.3001 182 Y 4.5416 8.0613 114.9240 57.2512 39.4663 176.9636 183 G 3.6443 8.0524 107.6126 45.2293 0.0000 172.5171 184 Y 4.8449 7.4290 117.0817 56.0174 40.4939 175.5111 185 S 4.7363 9.2584 118.9448 58.2208 64.0747 172.6141 186 I 5.1694 8.4225 115.8447 59.0062 40.9075 174.5751 187 R 4.4505 9.1153 124.3699 54.6095 32.2661 173.8573 188 L 5.0568 8.5251 128.7905 53.6215 43.8507 175.0037 189 E 4.8585 9.3911 126.8388 54.5136 33.0202 174.0945 190 I 5.4874 8.4613 126.9558 58.4816 40.2618 176.2350 191 S 3.9931 8.9512 122.6220 59.0230 62.5735 172.6378 192 T 4.5737 8.5201 112.8759 62.8949 69.1449 174.8282 193 F 3.9834 8.2973 125.5477 61.5944 39.1313 177.0814 194 L 3.5973 8.2870 119.7570 58.0508 41.8441 178.9692 195 Q 3.9646 7.9048 116.3426 58.8896 28.5547 178.2341 196 N 4.2408 8.0056 118.9384 56.3611 38.4959 177.3095 197 Q 3.7899 7.6108 119.4128 58.9139 28.7350 178.7183 198 E 3.9004 8.3795 119.9957 59.0113 29.1857 179.3931 199 K 3.9221 7.5217 119.2948 59.3619 32.7017 178.8051 200 V 3.6780 7.7641 118.5778 66.2515 31.4952 177.7372 201 M 4.2908 8.2746 118.0109 58.5815 32.0005 177.9309 202 D 4.4087 7.8957 119.1934 57.5886 41.0181 178.0448 203 T 3.8426 7.6170 109.1180 64.9642 68.5855 176.0671 204 Q 3.9981 8.0641 120.7387 58.3356 28.7598 179.2126 205 L 4.1150 8.1045 123.4200 58.6654 42.2206 179.6119 206 Q 4.1210 8.3170 120.7430 60.0639 27.9341 181.2913 207 S 4.4657 7.9411 115.1223 61.3292 62.8420 176.9390 208 V 3.5832 7.7085 121.3459 65.9274 31.1358 177.9346 209 I 4.1254 7.8657 120.3699 64.4741 37.9295 178.0039 210 M 4.3511 7.7551 120.2946 59.3433 31.3408 183.8225 211 T 4.4249 7.3231 116.0228 66.4491 68.8768 177.0918 212 V 3.8231 8.1742 115.5851 63.9410 31.3027 178.0863 *213 H 4.7545 7.7457 116.6726 57.6549 28.8225 181.6814 214 E 4.5198 8.1216 117.0698 57.4546 29.6305 177.4917 215 V 3.9921 7.8420 117.0744 65.5759 33.3101 175.8242 216 G 4.3453 8.2356 108.1211 45.4705 0.0000 174.2980 217 K 4.8042 7.7830 122.1641 53.5052 35.0844 180.2920 218 G 4.0978 8.1791 110.1248 45.1162 0.0000 171.1756 219 Q 5.1707 8.0998 116.6304 55.7549 31.6993 172.7036 220 M 4.9710 8.5582 124.8089 53.5084 36.2967 173.8592 221 K 3.5497 8.8278 126.4932 56.0522 33.0874 176.0011 222 A 3.9282 8.0288 129.3631 51.7641 18.6282 175.9168 223 P 4.3787 0.0000 0.0000 61.9276 32.3235 175.5156 224 D 4.5223 8.5370 119.3468 55.0113 42.5295 175.4478 225 G 4.2708 8.6663 114.4820 47.1108 0.0000 176.3580 226 V 4.1461 8.3981 116.5423 62.6148 31.9575 177.8509 227 L 4.0400 7.8650 121.1513 58.0437 41.2557 179.2647 228 T 3.6900 7.5273 115.4228 66.9694 68.4399 176.2107 229 Y 4.0896 7.5147 117.8621 60.7308 38.0671 178.1075 230 I 3.7654 8.0215 120.7928 64.3466 37.2637 178.2584 231 A 4.0293 8.3339 121.9846 54.9697 18.1347 179.7048 232 L 3.9630 8.2885 120.1320 58.6256 41.6189 180.5142 233 K 4.0957 7.9256 123.0573 59.8364 31.3375 181.1690 234 K 4.3380 8.0887 119.5845 59.3000 30.7482 179.5165 235 L 4.3069 8.1922 119.2584 57.5052 41.4376 179.0979 236 R 4.0595 8.6370 119.1464 58.3240 30.1208 178.5633 237 K 4.3432 7.3907 121.3315 58.3712 32.7287 183.7118 238 A 4.1944 7.5698 119.6596 53.6638 18.4301 177.7448 239 F 5.0055 7.5253 116.8256 56.3363 40.6122 172.8002 240 P 4.6276 0.0000 0.0000 63.0806 31.3859 175.7538 241 N 4.9258 8.6307 120.8698 51.3478 38.5073 173.6823 242 K 4.6374 8.9256 121.0863 54.8754 36.8088 176.4359 243 Y 4.5995 8.7107 123.8170 56.8843 38.6919 173.3825 244 V 4.1224 7.9924 125.9331 61.5771 32.6999 174.7799 245 S 4.4377 8.4525 121.4791 57.1024 67.1762 172.6535 246 I 4.7640 8.1816 120.6588 59.6030 38.7005 174.5721 247 K 4.7723 8.8846 129.1718 54.9992 35.2893 175.3707 248 T 5.0241 8.2300 118.7066 61.6815 70.6740 174.2679 249 N 4.6051 9.2621 124.8564 53.0220 39.7298 175.8357 250 L 4.0576 8.4175 121.7094 57.6517 41.7587 178.0437 251 N 4.6495 8.1709 113.5886 52.7558 38.6433 174.3633 252 D 4.4620 8.1509 117.4771 55.4108 39.0537 172.8375 253 E 4.6404 8.0704 119.2794 54.5094 32.0634 174.4693 254 K 4.8859 8.4522 126.2691 55.9957 34.0432 175.3062 255 Y 5.0510 8.9689 121.7526 56.1076 42.3858 174.6406 256 I 4.4266 8.6508 124.7608 60.9594 38.6622 175.0284 257 V 4.7784 9.0702 127.3164 60.9964 34.6774 174.0868 258 I 4.9560 8.3595 128.1634 59.3401 40.2547 175.3851 259 N 4.5709 8.5171 122.5058 53.2256 37.4520 174.3279 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 115 K 8.17 4.11 0.00 1.61 1.33 0.00 1.89 0.00 0.00 2.17 0.00 0.00 3.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.59 1.52 7.81 116 L 7.62 3.56 0.00 1.69 1.61 0.61 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 117 H 8.79 4.06 0.00 3.21 3.28 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 0.00 118 E 8.07 4.03 0.00 2.18 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 0.00 2.51 2.47 0.00 119 I 7.57 3.91 1.60 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.17 0.66 0.00 0.00 120 K 7.92 4.04 0.00 1.77 1.73 0.00 1.68 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.46 7.81 121 Q 8.39 4.00 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.53 0.00 0.00 0.00 0.00 0.00 2.30 2.24 0.00 122 E 8.00 4.28 0.00 2.44 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 0.00 1.91 2.24 0.00 123 L 8.26 3.93 0.00 1.82 1.71 1.04 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 124 K 8.15 4.12 0.00 1.85 1.72 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.31 7.81 125 D 7.77 4.56 0.00 2.95 2.81 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 0.00 0.00 0.00 0.00 126 L 7.98 3.89 0.00 1.60 1.62 0.73 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 127 F 7.89 5.14 0.00 3.27 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 0.00 128 S 7.74 4.82 0.00 3.77 3.86 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 0.00 0.00 0.00 129 H 8.28 4.57 0.00 3.13 3.32 0.00 5.66 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 0.00 130 L 7.66 4.55 0.00 1.54 1.42 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 131 P 0.00 4.49 0.00 1.93 2.03 0.00 3.53 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.13 0.00 132 Y 8.08 4.58 0.00 2.61 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 0.00 133 K 9.38 4.36 0.00 1.75 1.75 0.00 1.62 0.00 0.00 1.79 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.53 7.81 134 I 7.68 4.27 1.52 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 0.19 0.24 0.78 0.00 0.00 135 N 9.25 4.80 0.00 2.68 2.91 0.00 0.00 7.11 6.85 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 0.00 136 K 7.80 4.59 0.00 1.85 1.88 0.00 1.50 0.00 0.00 1.75 0.00 0.00 2.79 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.46 7.81 137 V 8.42 4.90 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 0.94 0.00 0.00 1.08 0.00 0.00 138 E 9.20 4.76 0.00 1.95 1.82 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 0.00 2.25 2.24 0.00 139 V 8.22 4.90 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 0.65 0.00 0.00 0.87 0.00 0.00 140 S 8.74 4.67 0.00 3.89 3.87 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 0.00 141 L 8.43 4.30 0.00 1.54 1.60 1.08 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 142 Y 9.11 4.47 0.00 2.94 3.08 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 0.00 143 E 7.75 4.65 0.00 2.13 1.82 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 0.00 2.19 2.18 0.00 144 P 0.00 4.32 0.00 2.06 2.05 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 145 G 9.31 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 0.00 146 V 8.11 5.05 2.29 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 1.15 0.00 0.00 1.05 0.00 0.00 147 L 9.04 5.08 0.00 1.48 1.39 0.44 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 148 L 9.03 4.67 0.00 1.64 1.59 0.83 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 149 I 8.88 4.83 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.59 0.95 0.00 0.00 150 D 9.14 5.29 0.00 2.68 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 0.00 151 I 8.93 5.57 1.88 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.58 0.79 0.00 0.00 152 D 9.16 4.86 0.00 2.65 2.44 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 0.00 153 G 8.09 4.49 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 0.00 154 E 8.25 4.14 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 2.30 2.31 0.00 155 D 7.79 4.89 0.00 2.76 2.82 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 0.00 0.00 0.00 0.00 156 S 8.10 4.05 0.00 4.00 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 0.00 157 A 7.90 4.06 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 0.00 158 L 7.39 4.21 0.00 2.07 1.91 1.04 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 159 L 7.29 4.38 0.00 1.64 1.55 0.48 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 160 I 7.56 3.52 1.78 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 0.75 0.56 0.18 0.00 0.00 161 G 7.95 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 0.00 0.00 0.00 162 E 9.00 4.16 0.00 1.90 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 2.32 1.90 0.00 163 K 9.68 3.73 0.00 1.91 1.76 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.26 0.98 7.81 164 G 8.56 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 0.00 0.00 0.00 165 Y 7.80 4.27 0.00 3.28 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 R 7.06 3.51 0.00 1.61 1.81 0.00 2.86 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.50 0.00 167 Y 7.73 3.85 0.00 2.72 2.84 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 0.00 0.00 0.00 168 K 8.34 4.06 0.00 2.15 2.20 0.00 1.89 0.00 0.00 2.01 0.00 0.00 3.12 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.66 1.87 7.81 169 A 8.12 4.05 1.41 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 0.00 0.00 0.00 170 L 8.17 3.92 0.00 1.87 1.59 0.88 0.66 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 0.00 171 S 7.97 3.97 0.00 3.80 3.68 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 0.00 172 Y 8.03 3.96 0.00 3.30 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 L 8.34 4.22 0.00 1.76 1.79 0.97 0.65 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 0.00 174 L 8.47 4.31 0.00 1.77 1.78 0.94 1.31 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 0.00 175 F 8.24 4.04 0.00 3.18 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 0.00 176 N 8.74 4.45 0.00 2.86 3.00 0.00 0.00 7.03 7.37 0.00 0.00 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 W 7.99 4.62 0.00 3.26 3.33 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 0.00 178 I 7.91 3.44 1.79 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 0.48 -0.36 0.80 0.00 0.00 179 H 7.97 4.04 0.00 2.03 2.31 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 0.00 180 P 0.00 4.14 0.00 2.00 2.04 0.00 3.69 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.10 0.00 181 T 7.36 3.79 3.57 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 0.41 0.00 0.00 182 Y 8.06 4.54 0.00 3.00 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 0.00 183 G 8.05 3.64 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 0.00 0.00 0.00 184 Y 7.43 4.84 0.00 2.84 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 0.00 185 S 9.26 4.74 0.00 4.09 3.85 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 0.00 186 I 8.42 5.17 1.86 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 1.31 0.88 0.91 0.00 0.00 187 R 9.12 4.45 0.00 1.60 1.49 0.00 2.25 0.00 0.00 2.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.33 0.00 188 L 8.53 5.06 0.00 1.57 1.36 0.98 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 189 E 9.39 4.86 0.00 2.08 1.76 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 2.21 2.41 0.00 190 I 8.46 5.49 1.94 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 1.26 0.31 0.93 0.00 0.00 191 S 8.95 3.99 0.00 3.96 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 0.00 192 T 8.52 4.57 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 1.23 0.00 0.00 193 F 8.30 3.98 0.00 3.07 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 0.00 194 L 8.29 3.60 0.00 1.79 1.93 0.93 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 195 Q 7.90 3.96 0.00 2.33 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.46 2.36 0.00 196 N 8.01 4.24 0.00 2.78 2.76 0.00 0.00 6.86 7.65 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 0.00 197 Q 7.61 3.79 0.00 1.88 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 1.55 1.45 0.00 198 E 8.38 3.90 0.00 2.08 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 199 K 7.52 3.92 0.00 1.87 1.86 0.00 1.77 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.42 7.81 200 V 7.76 3.68 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 0.89 0.00 0.00 0.92 0.00 0.00 201 M 8.27 4.29 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.56 0.00 202 D 7.90 4.41 0.00 2.97 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 0.00 203 T 7.62 3.84 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 1.20 0.00 0.00 204 Q 8.06 4.00 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.96 0.00 0.00 0.00 0.00 0.00 2.45 2.59 0.00 205 L 8.10 4.11 0.00 1.94 1.67 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 206 Q 8.32 4.12 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.59 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 207 S 7.94 4.47 0.00 4.08 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 0.00 208 V 7.71 3.58 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 0.96 0.00 0.00 0.98 0.00 0.00 209 I 7.87 4.13 2.46 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.36 1.09 0.00 0.00 210 M 7.76 4.35 0.00 2.20 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 2.52 2.44 0.00 211 T 7.32 4.42 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 1.24 0.00 0.00 212 V 8.17 3.82 1.65 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 0.65 0.00 0.00 0.62 0.00 0.00 *213 H 7.75 4.75 0.00 3.04 2.96 0.00 7.19 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 214 E 8.12 4.52 0.00 2.24 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 2.52 2.31 0.00 215 V 7.84 3.99 2.21 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 0.79 0.00 0.00 0.93 0.00 0.00 216 G 8.24 4.35 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 0.00 217 K 7.78 4.80 0.00 1.51 1.55 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.24 0.97 7.81 218 G 8.18 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 219 Q 8.10 5.17 0.00 1.96 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.64 0.00 0.00 0.00 0.00 0.00 2.24 2.16 0.00 220 M 8.56 4.97 0.00 2.11 1.83 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 221 K 8.83 3.55 0.00 1.55 1.48 0.00 1.66 0.00 0.00 1.52 0.00 0.00 2.49 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.88 0.33 7.81 222 A 8.03 3.93 1.13 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 0.00 0.00 0.00 223 P 0.00 4.38 0.00 2.01 1.97 0.00 3.56 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 1.96 2.01 0.00 224 D 8.54 4.52 0.00 2.80 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 0.00 225 G 8.67 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 226 V 8.40 4.15 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 0.64 0.00 0.00 1.01 0.00 0.00 227 L 7.87 4.04 0.00 1.91 1.70 1.00 0.54 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 0.00 228 T 7.53 3.69 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 0.72 0.00 0.00 229 Y 7.51 4.09 0.00 3.18 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 0.00 230 I 8.02 3.77 2.01 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 1.50 1.29 0.98 0.00 0.00 231 A 8.33 4.03 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 0.00 232 L 8.29 3.96 0.00 1.90 1.74 0.84 1.09 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 0.00 233 K 7.93 4.10 0.00 1.79 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.36 7.81 234 K 8.09 4.34 0.00 1.94 1.91 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.51 7.81 235 L 8.19 4.31 0.00 1.96 1.79 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 236 R 8.64 4.06 0.00 2.02 2.03 0.00 3.19 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 237 K 7.39 4.34 0.00 1.89 1.71 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.30 7.81 238 A 7.57 4.19 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 239 F 7.53 5.01 0.00 3.48 2.98 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 0.00 240 P 0.00 4.63 0.00 2.20 2.11 0.00 3.58 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 241 N 8.63 4.93 0.00 2.74 2.85 0.00 0.00 6.89 7.61 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 0.00 242 K 8.93 4.64 0.00 1.95 1.69 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.46 7.81 243 Y 8.71 4.60 0.00 3.04 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 0.00 244 V 7.99 4.12 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 0.79 0.00 0.00 0.95 0.00 0.00 245 S 8.45 4.44 0.00 3.70 3.08 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 0.00 246 I 8.18 4.76 1.78 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 1.32 0.88 0.87 0.00 0.00 247 K 8.88 4.77 0.00 1.76 1.70 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.38 7.81 248 T 8.23 5.02 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 249 N 9.26 4.61 0.00 3.12 2.83 0.00 0.00 6.92 6.21 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 0.00 250 L 8.42 4.06 0.00 1.68 1.73 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 251 N 8.17 4.65 0.00 2.76 2.87 0.00 0.00 6.94 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 252 D 8.15 4.46 0.00 2.81 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 0.00 253 E 8.07 4.64 0.00 2.18 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 0.00 2.37 2.28 0.00 254 K 8.45 4.89 0.00 1.65 1.64 0.00 1.62 0.00 0.00 1.79 0.00 0.00 2.83 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.49 1.45 7.81 255 Y 8.97 5.05 0.00 2.86 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 0.00 256 I 8.65 4.43 1.84 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 1.01 0.62 0.84 0.00 0.00 257 V 9.07 4.78 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 0.99 0.00 0.00 0.99 0.00 0.00 258 I 8.36 4.96 1.60 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.31 0.57 0.00 0.00 259 N 8.52 4.57 0.00 2.82 2.83 0.00 0.00 6.63 7.44 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 * Residues marked with a * may have inaccurate shift predictions.