NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9354 8.3393 109.7383 45.4586 0.0000 174.4526 2 S 4.3739 7.6119 114.5904 55.9106 64.4398 172.6946 3 H 3.9804 9.1495 121.8210 59.3871 30.3542 177.0009 4 G 4.1358 7.9702 105.6884 45.4920 0.0000 172.7970 5 M 4.8065 7.8886 117.4541 52.6559 36.0945 175.3001 6 A 4.1075 8.3494 123.5116 52.3830 19.1186 177.4925 7 D 4.6941 8.2644 121.0204 53.5883 42.2418 174.7963 8 E 4.5020 8.6919 117.1106 56.6128 31.2297 174.5233 9 E 3.3046 8.3478 114.5200 57.1188 32.0749 173.7743 10 K 4.1511 8.0159 118.1941 54.0143 33.7493 173.4757 11 L 4.3082 8.6160 135.0000 54.2002 40.0672 172.7411 12 P 4.4809 0.0000 0.0000 61.4770 32.0019 174.3414 13 P 4.4538 0.0000 0.0000 64.5482 31.7201 177.0086 14 G 3.6412 9.0559 109.6567 44.6247 0.0000 173.0116 15 W 5.3242 7.5190 118.5650 55.4977 30.9664 175.6548 16 E 4.9419 9.4115 119.5019 55.0045 32.8990 173.9628 17 K 4.5344 8.6471 122.2345 55.8839 33.8479 175.4239 18 R 4.5251 8.2906 123.8819 55.2293 35.3692 173.3525 19 M 5.1575 8.0519 118.7489 53.4821 35.0767 175.9957 20 S 4.5293 9.3688 118.6774 58.2337 62.9703 175.3495 21 R 3.9644 8.9709 126.8971 59.3683 30.3609 178.2516 22 S 4.2760 8.3338 111.8118 60.7876 62.5210 174.6978 23 S 4.5448 8.6671 111.8651 57.3547 64.0184 175.1817 24 G 3.9595 8.4856 109.0532 45.3473 0.0000 173.6009 25 R 4.2286 7.6606 121.0415 55.9628 31.2430 175.9473 26 V 4.5209 8.4727 125.7282 63.2519 32.6405 174.1750 27 Y 5.1602 8.6749 123.7264 56.1500 42.2496 172.7983 28 Y 5.2287 9.7292 117.1643 56.1753 41.2975 174.8453 29 F 5.6110 9.6567 125.6534 56.5325 42.9066 173.0464 30 N 4.2548 7.9143 124.8751 51.5743 39.8930 174.6296 31 H 4.1568 8.0089 121.3724 55.9206 29.0128 175.7313 32 I 4.1259 7.8664 122.1332 62.8864 38.3561 176.7999 33 T 4.0699 7.5164 108.5310 61.0567 69.8417 175.4225 34 N 4.2347 8.0465 118.6602 53.8325 36.8790 173.3574 35 A 4.7700 7.3363 119.8583 51.5817 20.3016 177.4424 36 S 5.7174 8.6472 115.7765 56.9530 66.2112 173.6312 37 Q 4.5187 9.3384 120.7559 54.7650 31.6760 175.9665 38 W 4.5781 8.9048 121.4615 59.8811 29.5361 177.0527 39 E 4.0948 8.2448 118.3811 55.4515 29.5362 175.9781 40 R 2.5100 8.3828 126.4173 55.0887 30.2410 175.3493 41 P 3.4296 0.0000 0.0000 64.2666 31.0419 175.7709 42 S 4.2753 6.2735 115.9817 57.9351 61.6019 170.3600 *55 E 4.3809 7.9005 118.4367 55.3154 31.0787 173.9976 56 P 4.6270 0.0000 0.0000 61.9408 32.6111 176.1789 57 A 4.3107 8.5395 122.1997 54.3709 18.7935 178.1674 58 R 5.0629 7.6927 109.7762 54.7421 32.7065 175.4365 59 V 4.3426 7.8515 113.0727 59.5347 36.4753 174.0858 60 R 4.9527 8.2948 123.0804 54.0388 32.4982 174.5270 61 C 5.4292 8.7425 121.8094 58.3181 33.3314 172.8164 62 S 5.5412 8.9721 116.0930 57.4772 66.5146 172.8124 63 H 5.6895 9.3518 116.8720 54.7369 32.4439 172.3846 64 L 4.5336 9.0245 120.1809 53.2431 44.8277 174.5469 65 L 4.9617 8.6425 128.9402 53.3444 44.6621 175.1839 66 V 4.8252 8.6025 125.7196 61.0846 33.8294 175.1123 67 K 4.7189 9.1536 128.1726 56.4937 33.0841 176.2067 68 H 4.9667 8.2451 115.7530 54.5234 31.1319 172.6350 69 S 4.8718 8.5484 114.9113 57.0218 65.4967 174.1795 70 Q 4.4393 8.2714 115.4061 55.3847 31.6127 175.1249 71 S 4.2225 7.1952 113.0128 59.0886 63.2646 174.6748 72 R 4.5965 7.5168 116.9414 55.9094 32.1123 174.9831 73 R 4.0556 7.4085 118.5014 54.4066 31.8299 175.3113 74 P 4.5296 0.0000 0.0000 62.2882 32.0560 177.6473 75 S 4.2191 8.9392 115.5687 61.8196 62.5710 176.3785 76 S 4.2465 8.1346 113.8519 60.2289 62.9924 174.6935 77 W 4.1777 8.1480 120.8471 56.1316 29.3635 176.3217 78 R 4.2163 8.3903 120.1392 55.7335 30.2925 176.5298 79 Q 4.1101 8.4225 120.9648 56.2451 29.6668 175.4095 80 E 4.4510 8.4715 125.0136 54.9732 30.9192 176.2388 81 K 4.0036 8.8548 125.1122 59.2044 32.2817 177.2744 82 I 4.3132 7.6260 119.9630 60.1428 37.4924 175.3428 83 T 4.5385 8.3005 114.5794 60.9399 70.4591 174.6887 84 R 4.2543 7.7356 119.5067 56.2099 30.4010 176.1256 85 T 4.6296 8.7692 110.9684 60.6699 71.3834 175.8617 86 K 3.6475 8.1881 120.8180 59.4554 32.0731 178.3769 87 E 3.9152 8.0927 119.1038 59.4760 29.6279 178.5881 88 E 3.9425 8.2384 118.3742 59.1865 29.4392 179.2200 89 A 3.9320 8.0841 121.0565 55.0458 18.3755 179.4785 90 L 3.8281 8.2438 119.2731 58.0645 42.1329 178.8299 91 E 3.8382 8.1006 119.4748 59.0972 29.5839 178.8174 92 L 3.4755 7.6519 118.9965 57.5808 41.6442 179.5128 93 I 3.6482 7.5965 119.6971 64.5370 37.0647 178.3125 94 N 4.4481 8.4385 117.7611 56.1308 38.3108 177.7921 95 G 3.4691 7.8851 107.2564 47.8926 0.0000 175.4636 96 Y 4.4002 7.6404 119.1436 60.8932 37.7895 178.5433 97 I 3.7812 7.9519 120.7881 64.4865 37.2196 178.2623 98 Q 3.9761 8.1549 120.2795 59.2510 28.9410 178.4983 99 K 4.1548 8.1874 120.8265 58.8308 32.1228 179.5758 100 I 4.3142 8.0913 121.8869 63.9093 36.9006 178.6403 101 K 4.1249 8.3119 118.8298 59.1273 32.2649 178.7937 102 S 4.4894 8.4323 112.8597 58.3189 63.0018 175.5210 103 G 3.9925 7.7094 110.2420 46.3257 0.0000 174.5070 104 E 4.1580 8.2959 122.3548 58.0252 29.9830 176.7776 105 E 4.7803 7.8040 116.1038 53.7099 33.8856 173.5329 106 D 4.9256 8.3341 119.8824 52.7949 43.7659 176.7681 107 F 3.9572 8.8880 128.5260 61.8117 39.3212 177.1907 108 E 4.0470 8.4852 117.3865 59.6993 29.2204 179.7708 109 S 4.0440 7.9667 114.3513 61.6667 63.0364 176.6050 110 L 3.8563 7.8532 121.4024 57.4541 41.2648 179.4930 111 A 3.6554 7.9092 121.0806 55.2113 18.1354 179.5725 112 S 4.3747 7.7566 111.6648 60.9608 62.4163 176.1799 113 Q 3.7744 7.7849 119.9423 58.0159 28.6925 176.9558 114 F 4.7909 7.9880 115.0355 57.0147 40.7808 176.0511 115 S 4.3266 7.8538 116.2926 58.6929 62.4189 173.5082 116 D 4.6375 8.8495 126.7143 54.7040 41.2668 176.2813 117 C 4.4684 7.5837 120.5379 58.2926 32.2005 174.3504 118 S 4.2930 8.5247 119.5120 60.8761 62.4639 175.9720 119 S 4.3671 8.0329 116.5591 59.5807 62.8398 175.4449 120 A 3.9387 8.0816 125.9200 55.2874 17.7999 179.6861 121 K 3.9829 7.7295 115.3279 58.8871 32.9717 177.4574 122 A 4.6786 8.1916 123.6918 52.0663 19.4684 176.7996 123 R 3.7876 9.2518 114.8656 58.6506 27.9265 178.0686 124 G 4.0506 8.2867 105.8189 45.2201 0.0000 173.6887 125 D 4.7254 7.9130 119.5051 53.9916 41.4594 175.7763 126 L 4.4285 8.9929 125.7474 53.9946 42.9503 177.3126 127 G 3.8483 8.5453 107.4402 44.3907 0.0000 171.7241 128 A 4.7641 8.2316 120.0585 51.1050 19.9337 176.9382 129 F 5.1876 8.5158 116.1342 55.5739 42.6255 173.1160 130 S 5.5674 9.0812 113.5083 56.1227 66.4320 173.7033 131 R 4.2289 8.3617 118.8927 57.6765 30.1315 177.3388 132 G 4.1018 10.0464 110.7482 45.6713 0.0000 174.9226 133 Q 4.2224 7.6551 116.5258 58.0136 29.4564 176.2869 134 M 4.2738 7.5443 114.9670 53.6207 33.6763 176.4425 135 Q 4.0551 8.2684 119.2016 55.9554 30.4496 177.4479 136 K 3.8811 8.8343 125.6611 59.6532 32.1758 176.9454 137 P 4.3092 0.0000 0.0000 65.4907 31.2179 178.4231 138 F 3.8801 8.1891 118.9578 61.0999 39.4604 176.5342 139 E 4.3087 8.7579 119.3292 59.7091 29.2963 178.4333 140 D 4.4472 8.6015 117.4441 57.3823 41.0842 178.5063 141 A 4.0522 7.9806 121.1071 55.2228 17.8935 179.7836 142 S 3.9264 8.1037 113.7622 61.8402 62.7824 176.7751 143 F 4.1056 8.3499 117.6792 59.0178 38.8753 176.7404 144 A 4.3748 7.5113 118.9632 51.9935 19.3944 177.4565 145 L 4.2091 6.7697 116.6026 54.2901 42.7228 177.0022 146 R 4.4201 8.1605 120.5131 55.0240 31.4044 176.5045 147 T 3.9411 8.1493 117.0974 65.3404 68.7407 175.1909 148 G 3.9105 9.0499 114.7643 45.2410 0.0000 173.1120 149 E 4.5605 7.9899 119.5044 55.3668 31.6488 174.7953 150 M 5.1211 8.4008 121.6517 53.8913 34.7927 175.5905 151 S 4.4409 8.9084 120.5489 57.9546 65.2256 172.6816 152 G 4.8402 8.2519 107.3906 43.9420 0.0000 171.1227 153 P 4.6604 0.0000 0.0000 62.5527 32.1786 176.2028 154 V 4.4969 8.7172 124.9954 61.1244 34.0044 174.0431 155 F 5.3532 9.2326 126.8706 56.4607 40.5372 175.1987 156 T 4.8600 8.9464 112.7618 59.8723 71.9669 174.3096 157 D 4.5282 8.6731 120.0035 57.0061 40.8886 178.1881 158 S 4.3380 8.2235 114.8125 59.4880 64.0123 174.9530 159 G 3.7251 6.5449 108.4925 45.1492 0.0000 171.2689 160 I 4.6980 7.9555 123.6525 59.8501 39.7063 174.9783 161 H 5.6099 9.4577 123.1454 54.0676 33.0586 172.7467 162 I 4.8608 8.5672 120.3754 59.7523 40.3585 174.6391 163 I 5.0704 8.9963 128.1952 59.3070 40.2220 174.3490 164 L 4.7495 8.6229 128.6287 52.9705 44.4895 175.0938 165 R 4.5541 8.5453 128.3755 56.2895 30.6409 176.5387 166 T 4.3791 8.5994 116.5431 61.7848 70.5280 174.4712 167 E 4.1986 7.6646 128.5217 56.8633 29.5464 174.3799 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 G 8.34 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 2 S 7.61 4.37 0.00 4.11 4.01 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 0.00 0.00 0.00 3 H 9.15 3.98 0.00 3.14 3.41 0.00 5.72 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 G 7.97 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 0.00 0.00 0.00 5 M 7.89 4.81 0.00 1.97 1.91 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.47 0.00 6 A 8.35 4.11 1.24 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 0.00 0.00 7 D 8.26 4.69 0.00 2.68 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 8 E 8.69 4.50 0.00 2.05 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 2.08 2.20 0.00 9 E 8.35 3.30 0.00 2.22 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 2.27 2.34 0.00 10 K 8.02 4.15 0.00 1.66 1.58 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.47 7.81 11 L 8.62 4.31 0.00 1.90 2.12 1.12 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.48 0.00 2.42 2.08 0.00 3.53 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 2.02 2.07 0.00 13 P 0.00 4.45 0.00 2.06 2.03 0.00 3.74 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 14 G 9.06 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 15 W 7.52 5.32 0.00 3.33 3.20 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 16 E 9.41 4.94 0.00 2.10 2.14 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 2.65 2.50 0.00 17 K 8.65 4.53 0.00 1.88 1.69 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.73 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.10 0.94 7.81 18 R 8.29 4.53 0.00 0.67 1.30 0.00 3.08 0.00 0.00 2.91 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.44 0.00 19 M 8.05 5.16 0.00 1.89 1.91 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 20 S 9.37 4.53 0.00 4.27 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 0.00 21 R 8.97 3.96 0.00 1.86 2.01 0.00 3.32 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 22 S 8.33 4.28 0.00 3.87 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 23 S 8.67 4.54 0.00 3.93 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 24 G 8.49 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 25 R 7.66 4.23 0.00 1.83 1.90 0.00 2.61 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.47 0.00 26 V 8.47 4.52 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 0.56 0.00 0.00 0.92 0.00 0.00 27 Y 8.67 5.16 0.00 2.97 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 28 Y 9.73 5.23 0.00 2.99 3.11 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 29 F 9.66 5.61 0.00 3.20 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 30 N 7.91 4.25 0.00 1.44 1.62 0.00 0.00 6.70 7.49 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 31 H 8.01 4.16 0.00 3.23 3.33 0.00 5.58 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 I 7.87 4.13 1.78 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 1.30 0.40 0.86 0.00 0.00 33 T 7.52 4.07 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 1.07 0.00 0.00 34 N 8.05 4.23 0.00 3.05 3.17 0.00 0.00 6.70 8.42 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 35 A 7.34 4.77 1.29 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 36 S 8.65 5.72 0.00 3.65 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 37 Q 9.34 4.52 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.82 0.00 0.00 0.00 0.00 0.00 2.56 2.59 0.00 38 W 8.90 4.58 0.00 3.41 3.29 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 39 E 8.24 4.09 0.00 1.98 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 2.15 2.18 0.00 40 R 8.38 2.51 0.00 1.43 1.47 0.00 3.11 0.00 0.00 3.31 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.67 0.00 41 P 0.00 3.43 0.00 0.99 0.49 0.00 2.56 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.44 0.00 42 S 6.27 4.28 0.00 3.80 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 *55 E 7.90 4.38 0.00 2.27 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 2.18 2.37 0.00 56 P 0.00 4.63 0.00 2.22 2.11 0.00 3.91 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.94 0.00 57 A 8.54 4.31 1.34 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 0.00 0.00 0.00 58 R 7.69 5.06 0.00 1.73 1.87 0.00 2.97 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.53 0.00 59 V 7.85 4.34 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 -0.58 0.00 0.00 60 R 8.29 4.95 0.00 1.78 1.66 0.00 3.07 0.00 0.00 3.25 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 61 C 8.74 5.43 0.00 3.23 2.87 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 62 S 8.97 5.54 0.00 3.83 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 63 H 9.35 5.69 0.00 3.60 3.62 0.00 5.52 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 9.02 4.53 0.00 1.28 1.42 0.49 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.64 4.96 0.00 1.65 1.37 0.73 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 66 V 8.60 4.83 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 0.93 0.00 0.00 1.05 0.00 0.00 67 K 9.15 4.72 0.00 1.68 1.69 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.62 1.36 7.81 68 H 8.25 4.97 0.00 3.23 3.23 0.00 5.66 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 S 8.55 4.87 0.00 3.93 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 70 Q 8.27 4.44 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.04 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 71 S 7.20 4.22 0.00 3.56 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 72 R 7.52 4.60 0.00 1.73 1.76 0.00 3.23 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 73 R 7.41 4.06 0.00 1.31 1.13 0.00 2.50 0.00 0.00 2.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.08 0.00 74 P 0.00 4.53 0.00 2.43 2.07 0.00 3.63 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.11 0.00 75 S 8.94 4.22 0.00 4.01 4.08 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 76 S 8.13 4.25 0.00 3.93 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 0.00 77 W 8.15 4.18 0.00 3.44 3.27 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 78 R 8.39 4.22 0.00 1.90 1.92 0.00 3.23 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 79 Q 8.42 4.11 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.89 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 80 E 8.47 4.45 0.00 1.97 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 2.26 2.25 0.00 81 K 8.85 4.00 0.00 1.80 1.88 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.50 7.81 82 I 7.63 4.31 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.80 0.91 0.00 0.00 83 T 8.30 4.54 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 1.25 0.00 0.00 84 R 7.74 4.25 0.00 2.14 2.11 0.00 3.12 0.00 0.00 3.38 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.64 0.00 85 T 8.77 4.63 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 86 K 8.19 3.65 0.00 1.82 1.81 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.29 7.81 87 E 8.09 3.92 0.00 2.06 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 2.36 2.40 0.00 88 E 8.24 3.94 0.00 2.19 1.94 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 2.30 2.30 0.00 89 A 8.08 3.93 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 90 L 8.24 3.83 0.00 1.89 1.85 0.97 1.05 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 91 E 8.10 3.84 0.00 2.16 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 2.20 2.28 0.00 92 L 7.65 3.48 0.00 1.68 1.12 0.84 0.59 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 93 I 7.60 3.65 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.06 0.88 0.00 0.00 94 N 8.44 4.45 0.00 2.76 2.81 0.00 0.00 6.96 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 95 G 7.89 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.64 4.40 0.00 3.14 2.87 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 97 I 7.95 3.78 2.06 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.94 0.94 0.00 0.00 98 Q 8.15 3.98 0.00 2.10 2.27 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 2.37 2.55 0.00 99 K 8.19 4.15 0.00 2.07 1.91 0.00 1.85 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.63 7.81 100 I 8.09 4.31 2.11 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 1.63 2.45 1.07 0.00 0.00 101 K 8.31 4.12 0.00 1.80 1.92 0.00 1.71 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.63 7.81 102 S 8.43 4.49 0.00 4.09 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 0.00 103 G 7.71 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 0.00 104 E 8.30 4.16 0.00 1.99 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 0.00 2.35 2.30 0.00 105 E 7.80 4.78 0.00 2.02 1.78 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 2.34 2.28 0.00 106 D 8.33 4.93 0.00 2.74 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 0.00 107 F 8.89 3.96 0.00 3.21 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 0.00 108 E 8.49 4.05 0.00 2.11 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 0.00 2.45 2.59 0.00 109 S 7.97 4.04 0.00 3.97 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 0.00 110 L 7.85 3.86 0.00 1.57 1.33 0.87 0.75 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 0.00 111 A 7.91 3.66 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 S 7.76 4.37 0.00 3.81 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 0.00 113 Q 7.78 3.77 0.00 1.54 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.49 0.00 0.00 0.00 0.00 0.00 2.13 2.47 0.00 114 F 7.99 4.79 0.00 2.59 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 0.00 115 S 7.85 4.33 0.00 3.74 3.76 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 0.00 116 D 8.85 4.64 0.00 2.65 2.68 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 0.00 117 C 7.58 4.47 0.00 2.94 2.75 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 0.00 0.00 0.00 118 S 8.52 4.29 0.00 4.08 4.11 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 0.00 119 S 8.03 4.37 0.00 4.26 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 0.00 120 A 8.08 3.94 1.44 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 0.00 0.00 121 K 7.73 3.98 0.00 1.93 1.95 0.00 1.54 0.00 0.00 1.71 0.00 0.00 3.14 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.78 7.81 122 A 8.19 4.68 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 0.00 123 R 9.25 3.79 0.00 2.00 2.05 0.00 3.38 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 124 G 8.29 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 0.00 0.00 0.00 125 D 7.91 4.73 0.00 2.71 2.75 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 0.00 0.00 0.00 126 L 8.99 4.43 0.00 1.93 1.68 0.69 1.11 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 0.00 127 G 8.55 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 0.00 0.00 0.00 128 A 8.23 4.76 1.18 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 0.00 0.00 129 F 8.52 5.19 0.00 3.18 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 S 9.08 5.57 0.00 4.01 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 0.00 131 R 8.36 4.23 0.00 1.62 1.77 0.00 2.84 0.00 0.00 2.99 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.50 0.00 132 G 10.05 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 0.00 133 Q 7.66 4.22 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 134 M 7.54 4.27 0.00 1.68 1.94 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.76 0.00 135 Q 8.27 4.06 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.42 2.34 0.00 136 K 8.83 3.88 0.00 1.88 1.88 0.00 1.65 0.00 0.00 1.83 0.00 0.00 3.43 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.82 7.81 137 P 0.00 4.31 0.00 2.36 2.18 0.00 3.68 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.20 0.00 138 F 8.19 3.88 0.00 3.08 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 0.00 139 E 8.76 4.31 0.00 2.24 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 0.00 2.46 2.72 0.00 140 D 8.60 4.45 0.00 2.66 2.74 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 0.00 0.00 0.00 0.00 141 A 7.98 4.05 1.24 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 0.00 0.00 142 S 8.10 3.93 0.00 4.20 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 0.00 143 F 8.35 4.11 0.00 3.03 3.27 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 0.00 144 A 7.51 4.37 1.28 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 0.00 0.00 0.00 145 L 6.77 4.21 0.00 1.73 1.53 0.83 0.82 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 0.00 146 R 8.16 4.42 0.00 2.00 1.83 0.00 3.15 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 147 T 8.15 3.94 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 1.16 0.00 0.00 148 G 9.05 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 0.00 149 E 7.99 4.56 0.00 2.06 1.87 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 2.28 2.33 0.00 150 M 8.40 5.12 0.00 2.01 1.85 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.56 0.00 151 S 8.91 4.44 0.00 4.01 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 0.00 152 G 8.25 4.84 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 0.00 0.00 0.00 153 P 0.00 4.66 0.00 1.99 1.87 0.00 3.74 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 154 V 8.72 4.50 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 0.88 0.00 0.00 0.90 0.00 0.00 155 F 9.23 5.35 0.00 2.94 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 0.00 156 T 8.95 4.86 4.33 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 1.33 0.00 0.00 157 D 8.67 4.53 0.00 2.71 2.79 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 0.00 158 S 8.22 4.34 0.00 3.95 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 0.00 159 G 6.54 3.73 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 0.00 0.00 0.00 160 I 7.96 4.70 1.70 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 0.66 0.75 0.37 0.00 0.00 161 H 9.46 5.61 0.00 3.14 3.41 0.00 5.75 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 I 8.57 4.86 2.07 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 1.33 1.06 1.27 0.00 0.00 163 I 9.00 5.07 1.68 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.59 0.69 0.00 0.00 164 L 8.62 4.75 0.00 0.27 0.54 0.65 0.38 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 0.00 165 R 8.55 4.55 0.00 1.82 1.83 0.00 2.98 0.00 0.00 3.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.38 0.00 166 T 8.60 4.38 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 1.21 0.00 0.00 167 E 7.66 4.20 0.00 1.91 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 2.19 2.22 0.00 * Residues marked with a * may have inaccurate shift predictions.