NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3493 8.4449 116.7527 54.5589 31.4956 175.3535 3 P 4.0422 0.0000 0.0000 62.4973 31.6779 175.2199 4 S 4.2563 8.2668 119.0642 58.8635 64.3326 172.3880 5 D 5.0229 8.1501 120.3532 51.4398 41.7775 176.8843 6 L 3.9459 8.8066 120.0503 58.7265 41.5619 178.3717 7 E 4.5472 8.5770 120.1135 58.3829 29.6398 177.8741 8 E 4.6134 8.2790 116.8497 59.1007 31.4150 183.6999 9 L 4.2209 7.7939 118.2486 58.2470 41.6177 179.2958 10 E 4.2052 8.3485 119.2218 59.6356 29.4321 179.7992 11 Q 4.0089 8.0663 121.7984 60.3274 28.3761 182.7726 12 F 4.4401 8.2746 122.6192 60.6033 39.1709 176.9729 13 A 4.1509 7.9400 120.4835 55.3603 18.2091 179.5558 14 K 4.0401 7.7643 117.2952 59.4008 32.2334 179.2161 15 T 3.7905 7.6954 116.1023 66.6149 68.2513 176.3218 16 F 3.6503 8.2325 122.7209 60.7144 38.8907 177.2117 17 K 4.0869 8.0238 121.7522 60.1750 32.2596 179.5425 18 Q 4.0121 8.2203 121.0415 60.2927 28.0140 180.0213 19 R 4.3032 7.9139 120.9085 58.3468 30.4409 178.8617 20 R 4.1422 7.4398 120.6620 61.7448 29.2843 183.3255 21 I 4.4014 7.5054 119.5820 62.1418 37.8264 178.4113 22 K 3.9694 7.4219 119.6816 58.3857 31.6909 183.2554 23 L 4.3747 7.9647 117.0434 53.4705 41.7599 177.2574 24 G 3.9027 7.3509 105.8985 45.9674 0.0000 172.6262 25 F 5.1436 8.3605 116.0125 55.6836 42.8701 175.7527 26 T 4.2091 8.9218 117.1623 61.4798 70.5243 175.0134 27 Q 4.1187 8.7021 120.4110 59.3879 28.1126 178.9368 28 G 3.5727 8.0248 107.3175 47.7065 0.0000 175.3080 29 D 4.3245 7.8866 120.7273 56.9173 40.5415 178.9531 30 V 2.8037 7.5964 118.7112 65.0768 31.0626 178.2549 31 G 3.5495 7.1891 105.3376 47.2946 0.0000 175.2508 32 L 4.0905 7.5452 121.1265 55.8549 41.4086 178.8164 33 A 4.0437 7.3693 120.5070 55.9893 18.2653 178.8707 34 M 4.1816 7.4814 114.8457 56.2531 32.2872 178.9664 35 G 4.2145 7.6920 108.7849 48.3621 0.0000 176.4264 36 K 4.4781 7.1724 124.0463 56.2839 31.7567 179.0726 37 L 4.8330 7.6486 119.7997 55.5508 43.6131 176.6375 38 Y 4.8924 8.3943 112.8147 57.2139 40.5085 175.9399 39 G 3.7007 8.1217 111.5819 46.6442 0.0000 173.5380 40 N 4.8191 7.7929 115.3681 51.9755 40.7897 174.8955 41 D 4.9700 7.8349 112.8130 54.4853 41.7053 173.6050 42 F 4.6395 8.4100 116.3679 55.0022 42.6349 174.9531 43 S 4.2377 8.7478 120.5973 58.5258 64.3959 175.0745 44 Q 3.9868 8.5162 121.0998 59.3589 28.5676 178.0221 45 T 3.8492 7.8231 116.4206 66.8973 68.5062 176.3157 46 T 3.8590 7.6351 117.6068 66.9379 68.4705 176.4678 47 I 3.6883 7.6921 119.9108 63.8976 37.9862 177.7080 48 S 4.0721 8.2300 114.2664 61.6724 62.3385 176.4044 49 R 3.9873 8.3258 120.7802 59.0084 29.7054 179.0211 50 F 3.8281 7.8940 120.6647 61.1427 39.2023 176.8575 51 E 3.9859 7.9053 116.3309 59.7457 29.2937 178.1645 52 A 4.2860 7.8965 117.4341 51.7942 18.3968 177.0050 53 L 3.6080 7.5439 115.1793 56.3436 40.1885 175.6692 54 N 4.7470 8.3355 114.7078 51.0264 37.2320 174.8477 55 L 4.4069 6.9092 116.7706 53.1688 46.1676 175.9523 56 S 4.3550 8.2733 116.1802 57.9528 63.9290 174.7720 57 F 4.1117 8.8528 123.4219 61.9738 38.9321 177.4319 58 K 3.8860 8.1044 122.5121 59.9853 31.4847 180.5253 59 N 4.3340 7.9385 116.7876 55.8812 39.0022 175.4732 60 M 3.8298 7.3036 116.9917 56.7524 32.8573 177.2831 61 C 3.9530 7.5490 115.8022 61.5367 28.3930 174.9389 62 K 4.0988 7.8795 119.7323 57.4744 32.1207 177.4197 63 L 4.4015 7.2968 117.8084 56.0650 43.0465 177.8866 64 K 3.7147 7.9977 120.1575 59.2088 31.7275 176.7990 65 P 4.9941 0.0000 0.0000 65.5980 31.3495 178.3160 66 L 4.3261 7.7130 119.5807 56.7425 41.6990 179.2704 67 L 4.3422 8.3171 119.7156 57.6934 41.5912 179.2336 68 E 4.5405 8.7665 117.5626 58.9738 29.7044 179.2506 69 K 3.9937 8.0871 120.9575 59.4033 32.1831 178.5141 70 W 4.1485 7.8935 125.9503 60.3370 30.6426 177.2020 71 L 3.9017 8.0150 118.9308 58.3303 41.7485 177.2832 72 N 4.1797 8.7610 116.3903 54.4173 38.8394 174.8548 73 D 4.7614 7.5456 120.9376 51.5614 42.8226 177.6528 74 A 4.2720 8.0204 131.8516 52.6027 18.1670 175.9310 75 E 4.3141 8.0753 112.0590 56.7467 33.4058 171.8355 *102 R 4.0552 8.4442 116.2710 57.5590 31.0798 175.8901 103 K 4.0932 8.4788 126.2442 55.5894 32.8733 176.5163 104 K 3.8770 8.6457 125.8298 56.3828 32.3408 176.5592 105 R 3.7376 8.6427 123.2009 57.2857 30.2410 175.3820 106 T 4.1916 8.5021 122.1622 62.6623 69.1259 174.2454 107 S 4.6091 8.4386 121.9613 56.3259 63.5612 173.8778 108 I 3.9044 8.1608 127.1232 60.4953 37.6978 176.2352 109 E 4.0973 8.6504 125.1480 56.2782 30.0437 178.0495 110 T 3.9161 8.6856 113.8403 64.8858 67.8814 175.7511 111 N 4.4596 8.1207 118.8289 54.8435 37.7397 176.3622 112 I 4.0561 7.8574 121.7277 62.4361 37.6785 177.9643 113 R 3.6966 7.5765 118.9987 58.6816 29.8724 178.7782 114 V 3.6097 7.5914 117.6683 65.5657 31.3514 177.8442 115 A 3.9549 7.4749 119.4049 55.3217 18.2095 179.6902 116 L 3.7631 7.5458 117.3415 57.7366 41.4756 179.3783 117 E 4.3624 7.9502 120.8716 60.0925 29.0286 180.4057 118 K 4.0864 7.8867 123.6952 60.1044 31.8992 182.1522 119 S 4.5080 7.8729 115.3032 60.9801 62.4335 176.7460 120 F 5.1452 8.2455 124.5504 60.9227 39.3903 176.9460 121 L 4.0574 8.1046 116.4906 56.4717 41.3810 177.9213 122 E 4.5411 7.5353 118.3614 56.4962 30.4343 175.5930 123 N 4.6525 7.9809 117.4927 52.8056 41.7241 174.8025 124 Q 4.6156 8.6805 125.1302 57.9109 29.1803 176.9172 125 K 4.5220 7.5977 118.1339 54.4029 32.7272 173.0523 126 P 4.5935 0.0000 0.0000 61.2778 32.6192 176.6912 127 T 4.0600 8.7864 114.1109 61.9551 68.9859 176.4497 128 S 4.3626 8.5996 122.0992 62.7829 61.9899 177.2349 129 E 4.2130 7.9625 120.3352 59.6936 29.7546 177.6387 130 E 3.9217 7.9006 117.9884 59.7603 29.6801 179.3977 131 I 3.6646 8.0719 119.7744 64.9303 37.1972 178.5016 132 T 3.8723 7.4638 115.1740 66.8836 68.5621 176.1994 133 M 4.1979 8.3600 119.1763 57.3246 31.9940 177.5711 134 I 4.0713 7.5123 119.1001 63.8747 38.1201 177.4250 135 A 3.9964 7.9596 121.5279 55.3196 18.2435 179.1527 136 D 4.2379 8.1782 116.3114 57.5721 41.2024 178.0687 137 Q 4.1788 7.5148 116.9237 57.8378 29.0470 176.1121 138 L 4.5183 7.0167 118.3473 53.9154 43.8391 175.1494 139 N 4.1686 8.1006 114.8006 55.1211 37.0499 173.1712 140 M 4.7841 8.4104 117.2526 52.1023 36.9206 176.0037 141 E 3.9142 8.8301 122.6561 56.4521 30.7960 177.3059 142 K 3.9152 8.8855 127.3715 60.0540 32.0869 177.5978 143 E 3.8679 8.3003 118.5421 59.5668 29.4442 178.5455 144 V 3.5774 7.9450 117.4316 66.4102 31.3803 178.1934 145 I 3.9178 7.5533 117.8328 64.4375 37.2905 178.0754 146 R 4.0266 8.0486 119.5842 59.6456 29.7782 178.6896 147 V 3.7464 8.2297 118.0860 65.5363 31.7323 177.5570 148 W 4.0271 8.4090 128.5537 60.8224 30.4214 177.9896 149 F 3.7249 8.5525 117.4565 60.5305 38.3258 177.1936 150 C 4.0912 7.7247 115.3255 62.9932 27.8844 175.6664 151 N 4.1528 8.1536 117.6912 56.3980 38.0728 177.6007 152 R 3.2141 7.0985 119.4251 59.1474 30.0365 178.6871 153 R 4.0567 8.0711 118.1753 59.5833 30.1083 179.0779 154 Q 3.9859 8.0913 117.6818 58.5922 28.6445 178.7370 155 K 3.7886 8.0220 120.8704 59.6475 32.2881 178.1459 156 E 3.9463 8.3526 118.9836 59.9691 29.2837 179.5600 157 K 3.8749 7.8020 116.8248 59.6881 32.1617 179.2952 158 R 4.1440 7.4668 116.7569 59.8965 30.3903 178.2066 159 I 4.0002 8.4235 119.5484 60.6742 36.9599 175.4581 160 N 4.8251 7.9697 128.0450 50.4168 38.3348 173.4726 161 P 4.4086 0.0000 0.0000 62.8755 31.5703 176.2534 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 2 E 8.44 4.35 0.00 2.01 1.81 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 2.13 1.91 0.00 3 P 0.00 4.04 0.00 2.04 1.87 0.00 3.65 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 1.99 2.10 0.00 4 S 8.27 4.26 0.00 3.75 3.81 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 5 D 8.15 5.02 0.00 2.89 2.86 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 6 L 8.81 3.95 0.00 1.89 1.81 0.96 0.78 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 7 E 8.58 4.55 0.00 2.10 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 2.32 2.34 0.00 8 E 8.28 4.61 0.00 1.98 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 0.00 2.15 2.18 0.00 9 L 7.79 4.22 0.00 1.78 1.69 0.71 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.35 4.21 0.00 2.20 2.25 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 2.41 2.35 0.00 11 Q 8.07 4.01 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.93 0.00 0.00 0.00 0.00 0.00 2.36 1.98 0.00 12 F 8.27 4.44 0.00 3.14 3.35 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 13 A 7.94 4.15 1.47 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 14 K 7.76 4.04 0.00 1.99 1.84 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.50 7.81 15 T 7.70 3.79 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 1.11 0.00 0.00 16 F 8.23 3.65 0.00 2.89 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 17 K 8.02 4.09 0.00 2.06 1.81 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.51 7.81 18 Q 8.22 4.01 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.62 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 19 R 7.91 4.30 0.00 1.88 1.73 0.00 3.12 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 20 R 7.44 4.14 0.00 1.82 1.91 0.00 3.31 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.50 0.00 21 I 7.51 4.40 1.89 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 1.40 1.04 0.96 0.00 0.00 22 K 7.42 3.97 0.00 1.91 1.70 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.28 7.81 23 L 7.96 4.37 0.00 1.60 1.61 0.74 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.35 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 0.00 0.00 0.00 25 F 8.36 5.14 0.00 3.22 3.01 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 26 T 8.92 4.21 4.29 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 1.30 0.00 0.00 27 Q 8.70 4.12 0.00 2.30 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 28 G 8.02 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 0.00 0.00 0.00 29 D 7.89 4.32 0.00 2.69 2.34 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 30 V 7.60 2.80 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 0.15 0.00 0.00 0.81 0.00 0.00 31 G 7.19 3.55 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 0.00 32 L 7.55 4.09 0.00 1.77 1.60 0.90 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 33 A 7.37 4.04 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 M 7.48 4.18 0.00 2.47 2.15 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.75 0.00 35 G 7.69 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 0.00 0.00 0.00 36 K 7.17 4.48 0.00 2.06 1.69 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.31 7.81 37 L 7.65 4.83 0.00 1.61 1.50 0.78 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 8.39 4.89 0.00 3.22 2.86 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 39 G 8.12 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 N 7.79 4.82 0.00 2.61 2.67 0.00 0.00 6.44 8.07 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 41 D 7.83 4.97 0.00 2.86 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 42 F 8.41 4.64 0.00 3.03 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 43 S 8.75 4.24 0.00 4.06 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 44 Q 8.52 3.99 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.95 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 45 T 7.82 3.85 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 1.22 0.00 0.00 46 T 7.64 3.86 4.50 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 1.05 0.00 0.00 47 I 7.69 3.69 1.82 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.22 1.05 0.00 0.00 48 S 8.23 4.07 0.00 4.24 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 49 R 8.33 3.99 0.00 2.02 2.17 0.00 3.17 0.00 0.00 3.07 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 50 F 7.89 3.83 0.00 2.96 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 51 E 7.91 3.99 0.00 2.20 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 0.00 2.45 2.57 0.00 52 A 7.90 4.29 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 53 L 7.54 3.61 0.00 1.81 1.72 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 54 N 8.34 4.75 0.00 2.71 2.76 0.00 0.00 6.64 7.72 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 55 L 6.91 4.41 0.00 1.34 1.32 0.66 0.98 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 56 S 8.27 4.35 0.00 4.01 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 8.85 4.11 0.00 3.08 3.07 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 58 K 8.10 3.89 0.00 1.80 1.81 0.00 1.86 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.45 1.07 7.81 59 N 7.94 4.33 0.00 2.64 2.76 0.00 0.00 7.17 6.93 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 60 M 7.30 3.83 0.00 1.73 1.67 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.70 0.00 61 C 7.55 3.95 0.00 2.88 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 62 K 7.88 4.10 0.00 1.71 1.69 0.00 1.73 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.41 7.81 63 L 7.30 4.40 0.00 1.76 1.84 0.65 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.00 3.71 0.00 1.60 1.58 0.00 1.05 0.00 0.00 1.35 0.00 0.00 2.82 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.77 0.21 7.81 65 P 0.00 4.99 0.00 2.29 2.24 0.00 3.69 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.84 0.00 66 L 7.71 4.33 0.00 1.79 1.63 0.84 0.51 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 67 L 8.32 4.34 0.00 1.72 1.36 0.07 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.77 4.54 0.00 2.62 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.47 0.00 69 K 8.09 3.99 0.00 2.02 2.30 0.00 1.83 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.54 1.54 7.81 70 W 7.89 4.15 0.00 3.53 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.02 3.90 0.00 1.70 1.74 0.66 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 72 N 8.76 4.18 0.00 3.00 2.82 0.00 0.00 7.20 8.35 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 73 D 7.55 4.76 0.00 2.79 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 8.02 4.27 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 E 8.08 4.31 0.00 1.95 1.63 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 2.12 1.84 0.00 *102 R 8.44 4.06 0.00 1.71 1.79 0.00 3.10 0.00 0.00 3.11 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00 103 K 8.48 4.09 0.00 1.75 1.69 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.40 7.81 104 K 8.65 3.88 0.00 1.77 1.75 0.00 1.83 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.36 7.81 105 R 8.64 3.74 0.00 1.76 1.89 0.00 3.23 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 106 T 8.50 4.19 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 107 S 8.44 4.61 0.00 3.96 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 0.00 108 I 8.16 3.90 1.86 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.39 0.77 0.00 0.00 109 E 8.65 4.10 0.00 1.99 1.84 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 2.38 2.28 0.00 110 T 8.69 3.92 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 111 N 8.12 4.46 0.00 2.98 3.08 0.00 0.00 6.22 7.68 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 0.00 112 I 7.86 4.06 1.85 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 1.43 0.51 0.70 0.00 0.00 113 R 7.58 3.70 0.00 1.92 1.96 0.00 3.21 0.00 0.00 3.36 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.65 0.00 114 V 7.59 3.61 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 1.00 0.00 0.00 0.95 0.00 0.00 115 A 7.47 3.95 1.27 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 0.00 116 L 7.55 3.76 0.00 0.59 0.13 -0.26 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 117 E 7.95 4.36 0.00 2.20 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 2.71 2.59 0.00 118 K 7.89 4.09 0.00 1.71 1.81 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.35 7.81 119 S 7.87 4.51 0.00 4.19 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 F 8.25 5.15 0.00 3.29 3.54 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 0.00 121 L 8.10 4.06 0.00 1.95 1.75 0.92 0.83 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 0.00 122 E 7.54 4.54 0.00 2.00 2.19 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 2.26 2.31 0.00 123 N 7.98 4.65 0.00 2.81 2.63 0.00 0.00 7.24 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 Q 8.68 4.62 0.00 2.08 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.92 0.00 0.00 0.00 0.00 0.00 1.16 1.96 0.00 125 K 7.60 4.52 0.00 1.71 1.67 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.47 7.81 126 P 0.00 4.59 0.00 1.75 1.77 0.00 3.13 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.88 0.00 127 T 8.79 4.06 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 1.19 0.00 0.00 128 S 8.60 4.36 0.00 3.75 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 0.00 129 E 7.96 4.21 0.00 1.98 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 2.35 2.33 0.00 130 E 7.90 3.92 0.00 2.11 1.96 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 2.32 2.35 0.00 131 I 8.07 3.66 1.95 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.70 0.95 0.00 0.00 132 T 7.46 3.87 4.37 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 1.22 0.00 0.00 133 M 8.36 4.20 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.58 0.00 134 I 7.51 4.07 2.07 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 1.49 1.32 0.99 0.00 0.00 135 A 7.96 4.00 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 0.00 136 D 8.18 4.24 0.00 2.77 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 0.00 137 Q 7.51 4.18 0.00 2.32 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 138 L 7.02 4.52 0.00 1.61 1.59 0.88 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 139 N 8.10 4.17 0.00 2.86 2.78 0.00 0.00 6.86 7.47 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 0.00 140 M 8.41 4.78 0.00 1.96 1.87 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.76 0.00 141 E 8.83 3.91 0.00 2.03 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 142 K 8.89 3.92 0.00 1.87 1.84 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.56 7.81 143 E 8.30 3.87 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 144 V 7.95 3.58 2.23 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 1.15 0.00 0.00 1.00 0.00 0.00 145 I 7.55 3.92 2.13 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 1.68 0.80 1.17 0.00 0.00 146 R 8.05 4.03 0.00 1.95 2.14 0.00 3.11 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 147 V 8.23 3.75 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 0.95 0.00 0.00 1.05 0.00 0.00 148 W 8.41 4.03 0.00 3.52 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 0.00 149 F 8.55 3.72 0.00 3.23 3.13 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 0.00 150 C 7.72 4.09 0.00 3.23 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 N 8.15 4.15 0.00 2.42 2.66 0.00 0.00 6.79 7.05 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 0.00 152 R 7.10 3.21 0.00 0.67 0.91 0.00 2.53 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 153 R 8.07 4.06 0.00 2.02 2.03 0.00 3.26 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 154 Q 8.09 3.99 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 155 K 8.02 3.79 0.00 1.74 1.85 0.00 1.53 0.00 0.00 1.48 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.41 7.81 156 E 8.35 3.95 0.00 2.36 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 2.81 2.92 0.00 157 K 7.80 3.87 0.00 1.95 1.91 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.68 7.81 158 R 7.47 4.14 0.00 1.94 1.96 0.00 3.14 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.84 0.00 159 I 8.42 4.00 1.88 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 1.77 0.73 0.92 0.00 0.00 160 N 7.97 4.83 0.00 2.82 2.84 0.00 0.00 7.19 7.73 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 0.00 161 P 0.00 4.41 0.00 2.20 2.07 0.00 3.81 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 * Residues marked with a * may have inaccurate shift predictions.