NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 54 G 3.9617 8.3549 109.7367 45.5116 0.0000 173.5652 55 L 4.3432 7.8154 116.4483 53.8122 42.2379 175.9485 56 G 3.8891 8.6595 107.8600 43.9543 0.0000 171.8525 57 P 4.2988 0.0000 0.0000 62.4693 32.0073 176.2556 58 L 4.2921 8.2013 120.3827 54.8631 42.8642 178.1948 59 Q 4.4746 8.3480 123.2256 54.7835 27.2631 173.9185 60 I 4.9630 7.6538 121.1604 59.1198 41.0942 175.2763 61 W 5.4611 9.0488 125.9623 55.1204 32.6894 174.6070 62 Q 5.2341 8.8949 120.9327 54.6154 31.0778 174.9547 63 T 5.2507 8.6080 119.6001 62.2228 72.4416 172.5831 64 D 4.9074 8.9380 122.7725 53.6678 45.5067 173.5511 65 F 5.2444 8.9496 119.9294 55.9292 41.7093 175.1111 66 T 4.9229 9.3597 116.7919 60.3508 71.0005 172.2383 67 L 4.0741 8.4721 130.0401 54.2481 43.4240 175.8206 68 E 4.3976 9.0998 126.6707 53.5651 31.2391 173.9091 69 P 4.1975 0.0000 0.0000 65.0620 31.8536 179.1542 70 R 3.9895 8.3563 117.0549 58.5814 30.0576 177.7151 71 M 4.4688 7.8216 115.9023 54.6499 32.1462 176.0954 72 A 4.1690 7.5594 122.8178 51.5988 18.8959 176.9489 73 P 4.3704 0.0000 0.0000 64.6914 32.3806 177.5381 74 R 4.5331 7.6193 120.6801 55.1503 28.6532 176.0974 75 S 4.4660 7.6274 112.8044 59.0240 65.3876 175.1532 76 W 4.8639 8.3045 122.5235 56.1072 30.2738 175.1062 77 L 5.1914 9.3270 125.8351 53.1737 43.5138 175.3396 78 A 4.2093 8.8778 126.3555 50.1587 20.8521 175.8902 79 V 4.7593 8.3278 122.4784 61.2708 34.9283 174.3898 80 T 5.0007 8.8948 123.8721 61.6809 72.2443 172.8592 81 V 4.6262 8.2941 125.8333 60.9125 34.2195 173.9713 82 D 4.9749 8.6437 128.9083 54.0205 41.3031 177.1438 83 T 4.0261 9.0443 117.5958 63.9908 69.1039 175.7318 84 A 4.2279 8.5728 125.6118 54.1993 18.5034 178.0753 85 S 4.5797 7.7661 106.5051 56.9675 64.4669 174.9974 86 S 3.9483 8.4601 115.4947 58.7389 60.9673 170.4144 87 A 4.4239 7.6666 123.0839 52.2799 19.3579 177.1468 88 I 4.9672 8.8385 120.8754 59.4021 40.6005 175.3926 89 V 4.4469 8.7702 125.5154 61.0833 34.3521 174.4462 90 V 5.1344 8.4462 126.4707 61.4721 34.8016 174.2901 91 T 4.8079 8.6673 114.5394 60.3381 72.5212 172.4713 92 Q 5.2400 8.5028 120.9057 54.9037 31.7025 174.6705 93 H 4.9586 9.1509 117.8092 54.4484 33.1850 174.9718 94 G 3.7840 8.9693 109.5396 47.7666 0.0000 173.7828 95 R 4.5916 7.5830 117.3495 55.0461 32.9532 174.4819 96 V 3.1524 7.4403 116.3633 59.7731 31.0159 175.3345 97 T 4.4485 7.2323 114.0889 58.7276 72.2672 175.0089 98 S 3.9395 8.2822 116.4100 61.6342 62.5452 177.0709 99 V 3.3905 7.5326 120.3162 65.6720 31.2323 177.7538 100 A 3.7812 7.9238 120.6436 54.9653 18.0693 179.4890 101 A 3.4818 7.3489 118.2427 55.1974 18.2759 179.9525 102 Q 2.8804 7.5550 116.5417 58.8217 28.5814 178.6331 103 H 4.2530 8.1155 117.4945 59.0394 28.7707 177.1680 104 H 4.0561 8.1520 120.0583 59.3430 29.6940 177.4380 105 W 4.4916 8.0988 120.4962 59.4519 28.9040 178.4403 106 A 4.2552 8.4557 121.3932 55.5184 17.8473 179.8082 107 T 3.8415 7.9049 113.5537 66.7878 68.5082 176.7292 108 A 3.9064 8.0934 122.6483 55.2484 18.3276 179.7591 109 I 4.1569 8.8192 119.8304 64.1081 36.9271 178.5748 110 A 4.1145 7.8085 120.3939 54.6864 18.2067 179.3227 111 V 3.8574 7.6058 116.0299 64.8799 32.0427 177.2623 112 L 4.6377 8.8440 115.8577 53.6329 42.6926 176.9384 113 G 3.9392 8.3585 106.0333 44.4349 0.0000 172.0882 114 R 4.1116 8.1164 118.9876 54.7575 30.4663 174.4363 115 P 4.2878 0.0000 0.0000 61.7187 32.8060 175.8090 116 K 4.1945 8.4071 117.0907 58.6493 33.2900 177.0581 117 A 4.8914 7.2717 118.9744 50.8556 22.9306 175.2014 118 I 4.9576 8.8481 119.8447 59.3159 41.5116 174.4826 119 K 5.1067 9.5519 128.3881 54.9408 34.4344 175.0409 120 T 4.8718 8.5338 116.6539 59.7996 72.9440 173.0005 121 D 5.1469 8.4121 120.9261 52.8544 41.4453 175.8375 122 N 4.9541 8.6745 116.6545 53.3922 38.4822 175.6290 123 G 3.8307 8.8807 108.7272 45.9906 0.0000 175.8267 124 S 4.8110 8.2316 118.7749 57.4589 61.3950 175.5510 *126 F 5.0858 7.7682 117.5371 58.1118 41.3166 176.3690 127 T 4.6131 7.3206 109.4139 60.9952 69.5351 174.2943 128 S 4.4973 7.7676 118.1621 57.8590 64.0827 175.4213 129 K 4.0338 8.6100 119.5277 59.4817 31.6132 179.4366 130 S 4.1761 8.1106 112.9851 61.8490 62.3414 176.3424 131 T 4.1184 7.7717 118.2505 66.8023 68.2775 176.9308 132 R 4.0503 8.2702 120.0567 59.4443 30.0342 178.7945 133 E 4.0534 8.8265 119.5070 58.8105 29.5715 178.6248 134 W 4.1305 8.5134 128.6618 60.5722 30.8259 178.0418 135 L 4.1751 8.5136 118.8410 57.7025 41.0321 179.4010 136 A 3.9753 8.2470 120.8770 55.1319 18.1295 179.5456 137 R 3.7223 7.9709 116.3487 59.1899 30.1465 178.0965 138 W 4.1088 7.6362 116.1973 56.5190 29.2487 177.1689 139 G 3.8312 7.7329 106.8336 45.9093 0.0000 172.8584 140 I 4.3199 7.6332 119.9289 59.2857 38.5217 175.8148 141 A 4.3561 8.4000 128.7902 52.0103 19.8943 175.7117 142 H 5.7624 8.4675 118.5499 53.7746 33.4004 172.4352 143 T 4.6461 8.1617 117.9349 60.3960 71.0642 173.7675 144 T 5.0094 8.0376 115.3582 60.5832 70.1080 175.7428 145 G 3.9715 7.8217 109.0452 46.5076 0.0000 174.0044 146 I 4.4331 8.1753 123.4119 58.2369 39.3755 172.0281 147 P 4.3886 0.0000 0.0000 64.4866 29.8065 176.3235 148 G 3.9166 8.8132 118.7435 46.2229 0.0000 172.4014 149 N 4.0708 7.6042 118.6437 56.8085 38.9987 174.6676 150 S 4.7457 8.2801 117.5109 57.5796 61.8620 169.1485 151 Q 4.8356 7.3855 120.1077 55.2678 31.1674 176.6440 152 G 3.9944 9.4811 111.3965 46.8597 0.0000 173.8993 153 Q 4.5920 7.6833 114.4191 53.9755 31.9268 176.3511 154 A 4.0378 8.2230 121.0027 55.6801 18.0687 179.6295 155 M 4.0038 7.9886 116.6421 58.6121 32.1184 179.2588 156 V 3.6518 8.0189 119.0247 64.6745 31.4954 178.2789 157 E 3.9694 8.3561 119.4322 59.0083 29.1586 179.2629 158 R 3.8757 8.0718 118.8273 59.3179 30.2023 178.3231 159 A 3.9648 8.3026 120.9182 55.1073 18.3133 179.2688 160 N 4.2485 8.4259 115.2942 56.5301 38.6726 177.6133 161 R 3.8783 7.7609 119.7826 59.5327 30.3703 178.5588 162 L 4.0206 8.1138 118.8787 57.5001 41.5143 179.4047 163 L 3.9265 8.0624 120.5195 58.1856 42.1273 179.2587 164 K 4.0580 8.1886 118.3326 59.1256 31.8501 178.9829 165 D 4.2994 8.1314 118.7953 57.2065 41.1942 178.2161 166 K 4.0239 8.0033 119.9120 59.3010 32.1001 178.9659 167 I 3.6915 7.8228 120.3255 64.2530 37.0592 178.2785 168 R 3.8750 8.0342 119.4603 59.6824 29.9052 179.0468 169 V 3.6795 8.2047 112.5870 64.3536 31.3933 178.6578 170 L 4.0021 8.6034 119.0241 57.4242 41.3291 179.3658 171 A 4.1917 8.7434 121.1888 55.4240 18.3547 179.4984 172 E 3.9824 8.3197 117.2343 59.5720 29.2866 179.8815 173 G 3.6503 8.0416 104.8703 47.3290 0.0000 174.4003 174 D 4.5861 7.3923 118.5633 53.7023 41.0520 177.2624 175 G 3.5806 7.9935 108.2432 45.2230 0.0000 173.7670 176 F 4.8255 7.5441 118.9275 56.2393 38.6429 175.6569 177 M 4.4826 8.6032 125.5879 56.0073 33.8664 177.2301 178 K 4.5089 7.5499 113.9987 56.2576 32.5173 179.4986 179 R 4.1252 8.8045 126.2962 57.1639 30.6569 174.0995 180 I 3.7829 8.2637 126.7754 59.6224 38.1717 174.1142 181 P 3.9887 0.0000 0.0000 63.5441 31.3686 177.2729 182 T 3.7695 8.8142 120.5771 67.0061 68.1996 176.7209 183 S 4.2344 7.9406 113.8232 60.3086 63.6828 175.4122 184 K 4.3347 7.9631 121.3725 56.9446 32.3964 178.4126 185 Q 4.0468 7.6337 118.6575 58.8838 28.5843 178.8697 186 G 3.6374 8.0271 105.9869 48.0858 0.0000 175.4015 187 E 3.9840 8.0837 120.9496 58.8491 29.5546 179.0839 188 L 3.9959 7.8809 120.0829 57.8872 42.1671 178.7477 189 L 3.9472 8.6649 120.6050 57.9714 41.9363 178.7451 190 A 4.0201 8.3266 121.1278 55.0972 18.2902 179.5570 191 K 3.9520 8.3530 118.0019 59.6014 32.2763 178.9624 192 A 4.0386 8.2102 121.1866 55.2304 17.9241 179.3407 193 M 3.9069 8.1503 116.8188 58.8026 32.3277 177.8012 194 Y 3.9637 8.3187 119.7268 60.7501 38.7788 178.0103 195 A 3.4343 8.1489 120.6278 54.5176 18.5338 178.7868 196 L 4.1562 7.5525 115.1271 55.7250 42.0462 177.6168 197 N 4.3313 7.0115 114.9505 52.9718 41.6495 174.3020 198 H 3.4465 7.8052 114.2534 56.0068 26.4968 174.7340 199 F 4.9210 7.9463 119.3384 58.1412 38.7105 175.7939 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 54 G 8.35 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 55 L 7.82 4.34 0.00 1.73 1.69 0.92 0.67 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 56 G 8.66 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.30 0.00 2.07 2.06 0.00 3.69 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 2.06 2.16 0.00 58 L 8.20 4.29 0.00 1.64 1.58 0.91 0.91 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 59 Q 8.35 4.47 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.86 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 60 I 7.65 4.96 1.91 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.73 0.93 0.00 0.00 61 W 9.05 5.46 0.00 3.23 2.85 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 62 Q 8.89 5.23 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.74 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 63 T 8.61 5.25 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 64 D 8.94 4.91 0.00 2.80 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 F 8.95 5.24 0.00 2.85 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 9.36 4.92 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 67 L 8.47 4.07 0.00 0.57 1.15 -0.30 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 68 E 9.10 4.40 0.00 1.96 1.69 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 2.15 2.25 0.00 69 P 0.00 4.20 0.00 2.14 2.01 0.00 3.55 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 70 R 8.36 3.99 0.00 2.00 1.96 0.00 3.10 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.57 0.00 71 M 7.82 4.47 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.57 0.00 72 A 7.56 4.17 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 73 P 0.00 4.37 0.00 2.19 2.17 0.00 3.72 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 74 R 7.62 4.53 0.00 1.82 1.96 0.00 3.20 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 75 S 7.63 4.47 0.00 3.73 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 0.00 76 W 8.30 4.86 0.00 3.67 3.31 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 77 L 9.33 5.19 0.00 1.61 1.58 0.92 0.70 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 78 A 8.88 4.21 0.29 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 0.00 0.00 0.00 0.00 0.00 0.00 79 V 8.33 4.76 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 0.93 0.00 0.00 80 T 8.89 5.00 4.05 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 0.00 0.00 0.00 0.67 0.00 0.00 81 V 8.29 4.63 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 0.93 0.00 0.00 0.91 0.00 0.00 82 D 8.64 4.97 0.00 2.69 2.57 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 0.00 83 T 9.04 4.03 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 84 A 8.57 4.23 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 85 S 7.77 4.58 0.00 4.03 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.46 3.95 0.00 4.09 4.05 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 0.00 0.00 0.00 0.00 87 A 7.67 4.42 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 0.00 0.00 0.00 0.00 0.00 88 I 8.84 4.97 1.89 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 1.06 0.78 0.85 0.00 0.00 89 V 8.77 4.45 1.90 0.00 0.00 0.00 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 0.80 0.00 0.00 90 V 8.45 5.13 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 0.91 0.00 0.00 0.91 0.00 0.00 91 T 8.67 4.81 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 92 Q 8.50 5.24 0.00 1.88 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 93 H 9.15 4.96 0.00 3.26 3.20 0.00 5.61 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 94 G 8.97 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 95 R 7.58 4.59 0.00 1.72 1.66 0.00 3.19 0.00 0.00 3.07 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 96 V 7.44 3.15 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 0.00 0.00 -1.58 0.00 0.00 -0.25 0.00 0.00 97 T 7.23 4.45 4.06 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 1.04 0.00 0.00 98 S 8.28 3.94 0.00 3.79 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 V 7.53 3.39 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 0.91 0.00 0.00 0.86 0.00 0.00 100 A 7.92 3.78 1.11 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 0.00 0.00 0.00 0.00 0.00 101 A 7.35 3.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 7.55 2.88 0.00 1.78 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 1.74 2.23 0.00 103 H 8.12 4.25 0.00 3.27 3.38 0.00 5.65 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.15 4.06 0.00 2.95 3.06 0.00 5.78 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 0.00 105 W 8.10 4.49 0.00 3.27 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.46 4.26 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 T 7.90 3.84 4.39 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 1.21 0.00 0.00 108 A 8.09 3.91 1.11 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 0.00 0.00 0.00 0.00 0.00 109 I 8.82 4.16 1.88 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.47 0.58 0.00 0.00 110 A 7.81 4.11 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 0.00 111 V 7.61 3.86 2.16 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 0.89 0.00 0.00 0.98 0.00 0.00 112 L 8.84 4.64 0.00 1.96 1.88 0.23 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 113 G 8.36 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 R 8.12 4.11 0.00 1.82 1.83 0.00 3.38 0.00 0.00 3.32 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 115 P 0.00 4.29 0.00 1.37 0.49 0.00 3.11 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.44 0.00 116 K 8.41 4.19 0.00 1.60 1.79 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.77 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.47 7.81 117 A 7.27 4.89 1.10 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 0.00 118 I 8.85 4.96 1.60 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.54 0.96 0.00 0.00 119 K 9.55 5.11 0.00 1.89 1.76 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.33 7.81 120 T 8.53 4.87 3.26 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 0.88 0.00 0.00 121 D 8.41 5.15 0.00 2.88 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 0.00 122 N 8.67 4.95 0.00 2.77 2.93 0.00 0.00 6.73 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 0.00 123 G 8.88 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 S 8.23 4.81 0.00 3.96 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 *126 F 7.77 5.09 0.00 3.39 3.26 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 0.00 127 T 7.32 4.61 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 128 S 7.77 4.50 0.00 3.99 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 K 8.61 4.03 0.00 1.82 1.94 0.00 1.73 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.56 1.47 7.81 130 S 8.11 4.18 0.00 3.93 3.90 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.77 4.12 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 1.68 0.00 0.00 132 R 8.27 4.05 0.00 1.94 2.06 0.00 3.19 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.94 0.00 133 E 8.83 4.05 0.00 2.12 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 0.00 2.37 2.44 0.00 134 W 8.51 4.13 0.00 3.78 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 0.00 135 L 8.51 4.18 0.00 2.01 1.90 0.80 0.45 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 0.00 136 A 8.25 3.98 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 0.00 137 R 7.97 3.72 0.00 1.67 1.96 0.00 2.79 0.00 0.00 2.93 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.39 0.00 138 W 7.64 4.11 0.00 2.91 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 0.00 139 G 7.73 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 I 7.63 4.32 1.71 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.54 0.56 0.00 0.00 141 A 8.40 4.36 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 H 8.47 5.76 0.00 3.02 3.11 0.00 5.52 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.16 4.65 4.18 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 1.21 0.00 0.00 144 T 8.04 5.01 4.38 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 1.25 0.00 0.00 145 G 7.82 3.97 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 0.00 0.00 0.00 146 I 8.18 4.43 1.88 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 1.47 0.76 0.91 0.00 0.00 147 P 0.00 4.39 0.00 2.18 2.14 0.00 3.74 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 1.99 0.00 148 G 8.81 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 0.00 0.00 0.00 149 N 7.60 4.07 0.00 2.78 2.91 0.00 0.00 7.20 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 0.00 150 S 8.28 4.75 0.00 3.99 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 7.39 4.84 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.77 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 152 G 9.48 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 Q 7.68 4.59 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 154 A 8.22 4.04 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 0.00 155 M 7.99 4.00 0.00 2.08 2.28 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.60 0.00 156 V 8.02 3.65 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 0.96 0.00 0.00 157 E 8.36 3.97 0.00 2.17 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 0.00 2.57 2.49 0.00 158 R 8.07 3.88 0.00 1.90 2.12 0.00 3.09 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 159 A 8.30 3.96 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 0.00 160 N 8.43 4.25 0.00 2.96 2.91 0.00 0.00 6.62 8.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 R 7.76 3.88 0.00 1.97 2.06 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 162 L 8.11 4.02 0.00 1.70 1.68 0.90 0.42 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 0.00 163 L 8.06 3.93 0.00 1.80 1.88 0.90 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 164 K 8.19 4.06 0.00 1.84 1.91 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.68 1.43 7.81 165 D 8.13 4.30 0.00 2.95 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 0.00 166 K 8.00 4.02 0.00 2.05 1.92 0.00 1.57 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.51 7.81 167 I 7.82 3.69 2.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.73 0.91 0.00 0.00 168 R 8.03 3.87 0.00 1.89 2.10 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 169 V 8.20 3.68 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 0.78 0.00 0.00 0.93 0.00 0.00 170 L 8.60 4.00 0.00 1.67 1.75 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 171 A 8.74 4.19 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.32 3.98 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 173 G 8.04 3.65 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 0.00 0.00 0.00 174 D 7.39 4.59 0.00 2.36 2.12 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 0.00 175 G 7.99 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.54 4.83 0.00 3.07 2.96 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 0.00 177 M 8.60 4.48 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.50 0.00 178 K 7.55 4.51 0.00 1.71 0.82 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.32 7.81 179 R 8.80 4.13 0.00 1.78 1.77 0.00 3.30 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.77 0.00 180 I 8.26 3.78 1.81 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.63 0.54 0.00 0.00 181 P 0.00 3.99 0.00 1.75 1.83 0.00 2.20 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.86 0.00 182 T 8.81 3.77 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 1.18 0.00 0.00 183 S 7.94 4.23 0.00 4.00 3.97 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 0.00 184 K 7.96 4.33 0.00 1.63 1.86 0.00 1.85 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.26 1.35 7.81 185 Q 7.63 4.05 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.52 0.00 186 G 8.03 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 0.00 187 E 8.08 3.98 0.00 2.03 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 0.00 2.39 2.36 0.00 188 L 7.88 4.00 0.00 1.88 1.67 1.12 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 189 L 8.66 3.95 0.00 1.80 1.78 0.91 1.09 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 0.00 190 A 8.33 4.02 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 0.00 191 K 8.35 3.95 0.00 2.02 2.01 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.51 7.81 192 A 8.21 4.04 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 0.00 193 M 8.15 3.91 0.00 2.26 2.06 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.54 0.00 194 Y 8.32 3.96 0.00 3.04 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 0.00 195 A 8.15 3.43 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 L 7.55 4.16 0.00 1.51 1.61 0.87 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 197 N 7.01 4.33 0.00 1.97 1.42 0.00 0.00 7.13 7.82 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 0.00 198 H 7.81 3.45 0.00 3.01 3.16 0.00 5.67 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 F 7.95 4.92 0.00 3.21 2.88 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 * Residues marked with a * may have inaccurate shift predictions.