NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5956 8.4045 118.7933 53.7598 34.0043 175.0557 2 S 4.5098 8.1199 121.5110 59.3727 70.0800 176.8715 3 Q 4.2113 10.2277 123.8663 58.3744 27.5451 181.1932 4 V 3.2736 8.5029 117.5629 64.8261 33.8645 180.6418 5 S 4.1847 8.5309 119.3302 60.9017 62.1548 176.6759 6 P 4.3069 0.0000 0.0000 66.7285 30.3010 182.0001 7 T 4.1514 8.3919 118.1847 66.5883 69.6288 178.9880 8 R 4.3296 7.9622 125.0838 63.1414 29.3510 181.4049 9 M 4.1297 8.1282 120.6847 61.5754 31.1629 180.7481 10 N 5.0011 8.4474 119.7112 55.7841 38.4409 179.5537 11 L 3.9533 8.5296 126.4360 59.7821 41.1275 184.6915 12 L 4.2436 8.0883 123.1799 61.7413 40.7628 184.4555 13 Q 4.0199 8.3565 120.7605 62.2191 27.7845 182.3621 14 R 4.2291 9.0648 123.2517 62.2943 29.9971 182.0748 15 R 4.1926 7.9599 121.4470 61.3029 29.4479 180.9864 16 G 4.3152 8.2734 110.0974 47.2264 0.0000 175.4420 17 Q 4.3693 8.0468 124.3121 59.4301 28.8833 181.8918 18 L 4.1538 8.6058 125.2461 61.3885 40.6062 184.0360 19 R 4.3073 8.0254 123.9426 61.3679 29.7297 181.6456 20 L 4.3346 7.8640 121.0064 60.4246 40.9511 182.8801 21 A 4.0639 8.1568 123.1329 56.2610 18.0680 179.9769 22 Q 4.0369 8.6010 119.8245 61.0563 28.2948 182.8417 23 K 4.3764 8.0654 123.8966 59.3488 31.5853 182.4210 24 G 4.0049 8.1502 108.6063 48.9689 0.0000 176.8228 25 V 3.8203 7.8845 124.0569 65.6294 31.8887 180.0611 26 D 4.6826 7.9695 123.3800 59.7163 39.4940 183.1284 27 L 4.4097 8.0804 125.7769 59.3162 40.9191 181.7157 28 L 4.3923 7.9482 123.5723 59.7377 40.8843 184.5145 29 K 4.1835 8.0421 124.9833 60.8789 31.6399 183.8086 30 K 4.1408 8.0900 127.2157 60.8263 31.5200 181.0828 31 K 4.3695 7.9133 125.5822 61.2930 31.5981 181.8775 32 R 4.2374 8.4845 123.1561 61.8992 29.3885 181.7213 33 D 4.5511 7.8889 121.3749 58.8141 39.9748 179.7669 34 A 4.3682 9.1497 126.9136 54.4069 18.1834 179.8810 35 L 3.9886 8.3071 120.9628 60.4200 40.3028 183.1567 36 V 3.8710 7.7832 119.2080 65.7353 31.1154 180.1315 37 A 4.3401 8.0472 122.8487 54.4832 18.0533 180.0445 38 E 4.0160 8.0149 119.6705 61.9360 29.8672 185.0000 *39 F 4.3386 8.0120 124.0672 62.1759 38.0891 180.3420 *40 F 4.3317 7.7065 122.0687 62.0106 37.6799 178.9391 41 G 4.1863 8.0366 107.5459 48.6835 0.0000 176.2481 42 L 4.0500 8.1491 126.7874 59.2565 41.2492 182.2695 43 V 3.4748 8.5762 117.7172 67.3906 31.2485 180.3264 44 R 4.1029 6.5308 121.0381 60.0425 29.6398 180.7411 45 E 3.9296 7.3542 111.0590 58.9325 29.9277 183.2346 46 A 4.1465 9.3596 122.9520 57.2781 20.1098 177.2794 47 M 4.4394 7.8840 112.2182 52.1648 33.9257 181.6067 48 E 4.2528 8.6833 116.3200 60.6024 29.5323 176.4984 49 A 4.2418 9.0865 128.0342 56.8771 18.0557 180.8758 50 R 4.3685 7.7300 118.3512 59.5753 29.4763 180.7781 51 K 4.1648 8.5379 124.9006 60.5212 31.3195 183.7485 52 A 4.2898 7.5432 122.6356 56.8135 18.3741 179.0201 53 L 3.6248 7.5049 115.5149 59.2218 41.5272 180.6752 54 D 4.6043 8.1890 121.9176 56.8408 40.8370 181.8079 55 Q 4.4135 7.4947 120.8540 55.0718 30.0506 178.2918 *132 R 4.4029 9.1294 117.2087 58.5281 30.6348 174.7223 *133 Y 4.1440 9.2727 125.3399 62.3731 37.3389 179.0992 134 A 4.2748 8.1505 122.3317 56.2702 18.3303 179.4184 135 E 4.3821 8.1785 114.9677 59.5461 30.2071 180.8371 136 A 4.3373 8.4028 123.0423 55.6754 18.4015 179.5371 137 L 4.1467 8.4309 122.9969 59.2129 40.3890 182.7598 138 I 4.3216 5.9613 126.3184 64.9679 36.4014 179.9856 139 R 4.1087 9.3061 124.5781 60.2705 28.7671 185.0000 140 V 3.2096 6.7145 115.4808 63.8554 33.7096 178.6356 141 A 4.8546 8.0032 120.0533 52.7627 19.1954 179.3469 142 N 4.4323 9.4449 123.2368 58.0417 37.5925 183.0632 143 T 4.3299 7.8390 118.5587 66.6636 69.0490 178.9091 144 E 4.2249 9.1808 124.8412 62.1042 29.4178 181.9687 145 T 4.1763 7.9019 117.6446 67.3697 69.0482 178.8093 146 R 4.2361 8.3804 126.3555 61.0322 29.2068 181.5495 147 L 3.9308 8.3459 121.7393 60.6012 41.6324 182.4261 148 K 4.5090 8.7619 126.8486 58.3253 31.7544 182.3973 149 K 4.4534 9.0008 124.2801 59.6549 30.8673 185.0000 150 I 3.7549 8.5521 118.7021 63.4464 36.7550 180.4653 151 G 4.2158 9.7403 107.8516 44.1155 0.0000 178.1235 152 E 3.3588 9.0392 121.4737 57.3575 33.1531 179.6526 153 E 4.5122 5.9000 125.1530 61.8338 30.4265 179.3152 154 I 4.0927 7.9463 121.7644 65.1914 35.0971 185.0000 155 K 4.7279 9.5455 126.6587 59.5316 32.3458 180.4613 156 K 4.9960 8.0457 121.0489 54.1884 33.4586 180.2882 157 T 4.2042 8.0504 116.3935 67.1917 68.2486 182.2092 158 T 4.0842 7.9559 116.9056 66.5357 68.5397 183.2812 159 R 4.1803 7.6611 122.8236 62.6009 29.4671 184.1612 160 R 4.3853 7.8374 122.0529 60.4280 29.7316 181.5038 161 V 3.9470 8.3340 120.1105 66.3204 30.9234 184.9396 162 N 3.8918 6.5492 115.7727 56.9995 38.8946 178.3043 163 A 4.2945 8.6006 124.8307 55.4010 18.5484 180.4585 164 L 4.1174 8.2307 123.6306 60.1215 40.8124 182.8421 165 E 4.4472 8.6073 120.6375 60.1696 29.1292 182.3421 166 Q 4.2946 6.7834 124.4804 61.4394 29.0242 182.2130 167 V 4.0584 7.8117 122.9346 66.6663 31.9612 181.5371 168 V 4.0083 7.6039 122.2879 65.6087 30.9194 180.7133 169 I 4.0808 7.7148 121.5246 65.8625 35.1714 181.8024 170 P 4.9620 0.0000 0.0000 64.5253 31.1314 180.1197 171 G 4.1999 8.0935 109.5103 50.2937 0.0000 176.6910 172 I 3.3469 7.7520 121.9704 65.2400 35.6392 179.9523 173 R 4.2084 7.9064 123.3998 59.5449 30.0149 181.5173 174 A 4.5417 8.4742 121.5502 53.1804 18.1151 179.9095 175 Q 3.8794 9.6962 128.8857 61.4138 28.3930 180.3134 176 I 4.0631 7.6467 122.4431 65.0431 35.4570 181.0793 177 R 4.2923 9.0524 123.9103 62.5196 29.1571 184.6446 *178 F 4.2985 8.8008 123.8685 63.2913 37.9180 179.8475 179 I 3.9050 8.1357 121.2495 66.3964 34.9098 180.0733 180 Q 4.3133 8.4386 122.9887 61.2115 28.2680 182.0403 181 Q 4.4004 8.2807 123.4762 59.5758 28.1967 180.9813 182 V 4.1414 7.7222 121.6135 67.2255 31.8427 183.4521 183 L 4.2260 8.0265 123.8850 60.2943 40.6219 182.3538 184 E 4.2692 8.9878 119.6976 62.6249 29.9774 181.4704 185 Q 3.9701 8.7274 120.3891 61.1825 27.7901 183.3811 186 R 4.0007 7.6755 121.6280 61.1930 30.4389 180.0388 187 E 5.0755 8.2415 114.6765 55.0974 31.9904 180.6952 188 R 3.8927 8.1258 123.8206 62.9281 29.5854 184.0397 189 E 4.3968 7.9457 120.3942 61.7816 29.9171 181.9161 190 D 4.6139 7.9362 124.7403 59.4358 39.5069 181.2455 191 T 4.2027 9.0070 119.7124 66.6798 68.1201 178.6077 *192 F 4.4495 8.2123 123.8345 62.3355 37.8538 182.3075 193 R 4.2384 7.9274 121.4109 62.0461 29.4789 183.3181 194 L 4.4229 7.9291 123.8907 60.3173 41.3418 183.0584 195 K 4.2503 7.8424 127.0669 60.2829 31.5322 181.7769 196 R 4.4241 8.0038 123.5165 62.4044 29.2043 181.1800 197 I 3.9023 7.7510 120.7704 65.3894 35.4431 180.9152 198 K 4.4148 8.0260 122.9122 60.6775 31.8501 180.1464 199 G 4.0295 8.3547 106.3414 48.7178 0.0000 177.0861 200 K 4.5346 9.1562 127.4606 59.0632 32.2446 181.3512 201 I 4.1453 8.6679 124.2030 64.8321 35.1349 180.3687 202 E 4.9475 7.7779 112.4951 55.3835 31.4153 178.4575 203 A 4.3371 8.3999 126.0196 56.2939 19.2734 181.0264 204 R 4.0743 8.1394 115.5603 59.3846 29.8509 179.1794 205 E 4.2515 7.8055 117.2283 56.4024 29.6514 180.3891 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 6.35 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 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 8.36 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 9.06 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 8.03 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 1.25 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 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 3.87 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 4.34 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 8.01 4.02 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 8.01 4.34 0.00 2.23 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 *40 F 7.71 4.33 0.00 2.48 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 8.04 4.19 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 0.00 0.00 0.00 42 L 8.15 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 1.68 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.58 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 6.53 4.10 0.00 1.78 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 4.16 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 1.88 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 1.37 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 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 5.96 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 6.71 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 4.22 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 1.15 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 3.75 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 9.55 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 4.08 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 2.23 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 8.14 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 1.50 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 6.72 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 7.68 4.00 0.00 1.86 1.88 0.00 3.17 0.00 0.00 3.20 7.60 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.