NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5442 8.5298 117.5832 55.4603 32.5955 173.9826 2 Q 4.2704 8.4938 116.0516 51.9805 31.6169 173.2171 3 D 4.6465 8.4909 121.6299 51.6439 43.9736 178.1322 4 A 3.7252 7.8757 120.7168 55.3476 17.9686 179.8208 5 I 3.4589 7.0474 117.6740 64.8266 37.2805 178.4531 6 T 3.8048 8.5708 116.5550 66.6621 68.3397 176.3996 7 A 3.9404 8.2119 123.0149 55.1910 18.3171 179.9626 8 V 3.6182 7.3760 118.0027 65.5117 31.5684 178.1948 9 I 3.6672 7.7255 119.5599 64.7235 36.9668 178.2167 10 N 4.3292 8.5700 117.7842 56.1748 38.6431 177.6992 11 S 4.1641 7.9737 115.3760 61.4170 63.0100 176.7595 12 S 4.0624 8.1164 118.8312 61.1898 62.6068 176.0325 13 D 4.2682 8.3900 121.3740 57.1741 40.7552 178.6442 14 V 3.6117 7.7004 118.0348 63.9822 31.4949 176.7700 15 Q 4.2292 7.3089 116.2916 55.2743 29.1494 176.1888 16 G 3.8727 8.0651 106.0068 46.1531 0.0000 173.5261 17 K 4.6839 7.8548 118.0436 54.2163 34.1331 176.3254 18 Y 4.1708 8.4859 119.2643 57.3407 38.5818 175.8784 19 L 4.0519 8.5411 122.8719 55.2712 42.2717 177.6864 20 D 4.8956 8.3634 124.4796 52.4008 43.2785 176.6440 21 T 3.8376 8.3860 114.4903 67.1987 68.3925 176.2876 22 A 3.9825 8.0599 121.7767 55.0295 18.5062 179.2095 23 A 3.9334 8.3815 119.2336 55.5591 18.5416 179.9169 24 L 4.0276 8.2811 117.6193 57.7322 41.5885 179.5727 25 E 3.9366 8.2608 119.4611 59.1860 29.7596 178.8534 26 K 3.9481 8.2144 118.6318 59.5287 32.1555 179.1420 27 L 3.8954 8.0350 119.0491 57.7543 41.4856 179.7147 28 K 4.2088 8.1125 118.1581 59.8637 31.8449 179.2986 29 S 4.2388 7.8435 115.2061 61.1284 62.9392 176.1901 30 Y 4.1688 7.9009 121.3686 60.8430 38.5153 177.5735 31 F 4.2002 8.0040 118.9076 60.9008 38.5687 177.8316 32 S 4.3009 8.7281 113.5456 60.3979 62.9120 175.4197 33 T 4.4590 7.9270 112.8648 61.4350 69.0733 176.3343 34 G 3.6094 7.3313 110.0502 48.4956 0.0000 175.3474 35 E 3.9522 8.0547 121.7459 58.5197 29.6450 178.7001 36 L 3.9932 7.8409 118.6892 57.7503 41.6554 179.5368 37 R 3.9022 8.1846 118.1631 59.2457 30.0036 179.2546 38 V 3.5813 7.9034 118.0348 65.9628 31.4464 178.1141 39 R 3.8624 8.3529 117.8789 59.3350 29.9102 178.5932 40 A 3.9820 8.2376 120.2907 55.3095 18.2430 179.5068 41 A 3.9249 8.2202 119.0320 55.7603 18.2504 179.8625 42 T 3.8146 8.2826 114.6192 67.2417 68.5025 176.7933 43 T 3.9276 8.1548 117.5329 66.6602 68.3272 176.4495 44 I 3.7071 7.9317 120.9551 64.7289 37.4025 177.8939 45 A 4.1109 8.3003 121.1287 55.0594 17.9753 179.5468 46 A 3.9806 7.4817 117.8157 55.3265 18.7661 178.8304 47 N 4.6716 8.1778 112.6367 53.3420 38.4465 176.7647 48 A 3.9774 7.6267 124.4632 55.7707 18.3055 180.2733 49 A 3.9365 7.9753 117.7717 55.2280 18.5784 179.5699 50 A 3.9514 7.9584 118.8420 55.0825 18.4427 179.8055 51 I 3.6443 8.1670 118.8562 64.5714 37.2557 178.7574 52 V 3.5484 7.5195 119.0072 65.7835 31.3008 177.6349 53 K 3.8364 8.2395 119.6052 59.8253 31.9261 178.2867 54 E 3.9214 8.3428 119.0645 59.1627 29.5345 178.5615 55 A 3.9496 8.2339 121.0703 55.0437 18.3214 179.8554 56 V 3.4678 8.3322 117.0205 66.0835 31.4194 178.1592 57 A 4.0556 8.0295 119.5557 55.1913 18.2767 179.4809 58 K 4.1649 8.3411 116.7526 58.4993 32.3444 178.7041 59 S 4.7105 8.3248 112.4702 57.9530 64.2758 175.5910 60 L 4.4381 8.0013 120.9478 55.7279 43.8148 177.3271 61 L 4.0281 7.7756 116.3407 55.7632 42.0385 175.6863 62 Y 3.6929 8.0314 115.9307 59.1279 35.4724 169.9408 63 S 5.0638 7.1663 116.4058 56.3333 65.7480 173.8460 64 D 4.2452 8.5863 117.9635 56.6212 39.7219 178.3483 65 I 3.6902 7.6514 121.1938 64.0178 37.1628 177.6379 66 T 4.3928 7.2973 108.0025 62.3228 69.6411 175.3151 67 R 4.3047 7.5245 121.7740 54.2827 31.0873 173.8781 68 P 2.9700 0.0000 0.0000 64.3289 31.3696 177.0465 69 G 4.0579 8.8670 111.3320 45.2117 0.0000 173.8453 70 G 4.8799 7.6494 113.1385 45.0691 0.0000 175.6024 *72 M 4.2722 8.6578 124.9608 54.5077 33.2934 174.4608 73 Y 4.3943 7.7214 120.2945 57.9910 40.0629 173.9927 74 T 2.9815 7.0415 115.9540 62.0446 69.2866 172.9204 75 T 3.7903 8.2183 114.9874 64.8375 68.6368 176.4890 76 R 3.8587 7.8300 121.0174 59.5148 30.1994 178.5940 77 R 3.9987 7.7892 117.8383 58.9895 30.0747 178.3095 78 Y 3.8351 8.0063 119.2156 60.6777 38.8536 178.0041 79 A 4.0824 8.2643 121.4025 55.2083 18.4704 179.4257 80 A 3.9203 7.9265 118.8686 55.2989 18.4298 179.3918 81 C 3.9736 8.1245 117.3778 62.6909 31.6091 175.9722 82 I 3.6802 7.7318 114.6279 63.7834 37.0313 178.0777 83 R 3.8925 7.9211 121.9282 58.7271 29.7648 178.2290 84 D 4.3149 7.9812 118.6387 57.3428 40.8513 178.6289 85 L 4.1069 7.7827 119.4219 57.9295 41.4490 179.3209 86 D 4.3403 8.1516 118.9410 57.5597 40.7875 178.2895 87 Y 4.5360 7.7083 117.0787 61.6345 37.8829 178.3580 88 Y 4.6716 7.9968 117.6078 61.2700 37.9713 178.7634 89 L 4.2566 8.3094 120.9705 58.2561 42.3312 178.7453 90 R 3.5662 8.1946 118.7936 59.7943 29.8947 178.0749 91 Y 3.8948 8.5226 116.3523 60.9391 37.7582 178.4703 92 A 3.9365 8.4201 121.9203 55.3280 18.3331 179.8407 93 T 3.7273 7.9762 114.4471 66.7743 68.3932 176.3746 94 Y 4.3201 7.7227 118.4034 61.2555 37.8903 178.5535 95 A 3.7534 8.0751 121.6339 55.2999 18.0756 179.3922 96 M 3.9795 7.5912 115.6942 58.6265 32.4289 177.7604 97 L 4.1041 8.0343 119.5540 58.2069 42.4938 178.4619 98 A 4.2630 8.4456 120.2136 52.2250 18.2763 178.2014 99 G 4.2201 8.4428 105.0409 45.5646 0.0000 173.0826 100 D 4.6060 7.5558 116.8746 52.1894 44.1418 173.1129 101 P 4.2796 0.0000 0.0000 63.0657 32.1411 177.7836 102 S 4.0414 8.5619 116.4804 62.0591 62.4882 176.3576 103 I 3.6646 7.6480 121.3122 63.5800 37.6541 177.8103 104 L 4.0100 8.0112 120.3830 57.7704 41.2621 179.1104 105 D 4.4163 7.9956 117.2426 57.5255 40.7420 178.2460 106 E 4.1191 8.5271 119.2437 58.5263 29.2893 178.6091 107 R 4.3952 8.2114 115.1581 55.6027 31.5880 176.3669 108 V 3.9244 7.2220 115.1315 64.3452 33.0041 176.8768 109 L 4.1006 8.2763 117.7175 55.3606 41.9169 176.6872 110 N 4.4004 7.2527 117.7862 54.0644 37.2328 174.4005 111 G 4.3688 8.5982 111.0708 45.2536 0.0000 172.9884 112 L 3.6875 7.5987 121.6959 57.8062 42.0161 178.7650 113 K 3.8709 7.9251 119.0734 59.5414 32.0307 178.3841 114 E 3.9546 8.0343 118.2399 59.7113 29.4686 179.1810 115 T 3.8945 7.6673 115.1897 66.8606 68.4894 176.2701 116 Y 4.4062 8.2011 118.5407 61.4711 37.7552 178.4418 117 N 4.3735 8.2796 115.9979 56.2875 38.6561 177.2736 118 S 4.2502 8.0986 113.7759 61.5173 62.7271 176.0238 119 L 4.2596 8.2160 120.1096 55.8895 41.4117 178.1916 120 G 3.8703 8.0686 106.7262 45.1270 0.0000 173.3703 121 V 3.4448 7.4806 119.6803 61.1725 31.7696 174.2039 122 P 4.2233 0.0000 0.0000 63.1279 31.7360 176.8374 123 I 3.7219 8.3197 124.8051 64.2954 37.1216 178.1538 124 S 4.0471 8.0752 113.1475 61.4800 62.3006 175.8846 125 A 4.4490 7.8520 124.1502 54.9441 18.0245 179.6005 126 T 3.8438 7.7384 113.8210 66.7526 68.4934 177.0552 127 V 3.5498 7.9576 120.2003 66.0782 31.4346 177.9732 128 Q 3.9432 8.3125 117.6591 58.9341 28.5735 178.8347 129 A 4.1755 7.9533 122.9093 54.8117 18.4220 179.7492 130 I 3.5940 8.0354 118.6413 64.6488 37.1526 178.7445 131 Q 3.9606 8.3431 118.6978 58.4613 28.4160 178.4874 132 A 3.9587 7.8793 122.2220 55.3733 18.4135 179.5875 133 M 3.8678 7.9168 117.1871 57.9708 31.8097 178.9723 134 K 3.7882 7.2345 119.5470 59.4776 32.5640 178.6860 135 E 3.9511 7.9797 118.7471 59.3676 29.1067 179.5540 136 V 3.5872 7.9226 118.2505 66.4138 31.6404 178.1652 137 T 3.8343 8.4435 115.5174 66.5125 68.3290 176.3728 138 A 4.0741 8.3071 123.0007 55.3136 18.2998 179.8050 139 S 4.2283 7.8514 110.1643 60.7142 62.9846 175.7185 140 L 4.3905 7.2181 121.5491 56.3354 42.2814 178.1734 141 V 4.1598 7.9485 109.5406 60.2307 32.4478 177.1325 142 G 4.0921 7.8417 105.1530 44.5311 0.0000 172.7468 143 P 4.2322 0.0000 0.0000 66.1679 30.9164 178.3414 144 D 4.2989 8.0691 117.8181 57.1105 40.8539 178.4984 145 A 4.1760 8.0539 120.7802 55.1079 18.4242 179.7524 146 G 3.5705 8.4710 104.7521 47.6240 0.0000 176.0295 147 K 3.9589 7.9692 121.3244 59.3965 32.5514 178.2029 148 E 3.9152 8.1951 119.6222 59.5688 29.6059 178.3284 149 M 4.0934 8.5301 118.8798 58.6950 32.0544 179.1166 150 G 3.8270 8.1367 105.4641 48.0779 0.0000 176.0797 151 V 3.5824 7.6324 114.7001 64.3073 31.0041 178.2782 152 Y 4.3572 7.3009 115.9610 60.8133 37.8880 177.8552 153 F 4.6497 8.1688 118.9080 60.8796 39.0659 177.5025 154 D 4.4765 8.7794 118.9706 57.1856 40.6882 178.2002 155 Y 3.9222 8.0668 120.3557 60.6785 38.6186 178.1728 156 I 3.7410 7.7749 119.3972 64.5570 37.5081 177.7322 157 C 4.1526 8.0769 117.4284 63.2653 27.8560 176.4711 158 S 4.1711 8.5693 116.8678 61.5458 62.1826 176.7057 159 G 3.4850 7.6707 105.8747 46.3699 0.0000 174.9377 160 L 4.3339 7.7719 120.7341 55.7018 42.1662 176.6917 161 S 4.3631 7.4495 117.0524 58.2277 63.0702 173.6880 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 8.53 4.54 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 2 Q 8.49 4.27 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.68 0.00 0.00 0.00 0.00 0.00 2.19 2.41 0.00 3 D 8.49 4.65 0.00 2.78 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 4 A 7.88 3.73 0.58 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 5 I 7.05 3.46 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.44 0.90 0.00 0.00 6 T 8.57 3.80 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 7 A 8.21 3.94 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 8 V 7.38 3.62 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.89 0.00 0.00 9 I 7.73 3.67 1.98 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 1.51 0.60 0.88 0.00 0.00 10 N 8.57 4.33 0.00 2.69 2.83 0.00 0.00 6.82 7.21 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 11 S 7.97 4.16 0.00 4.05 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 12 S 8.12 4.06 0.00 4.03 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 13 D 8.39 4.27 0.00 2.80 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 14 V 7.70 3.61 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 0.79 0.00 0.00 0.92 0.00 0.00 15 Q 7.31 4.23 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.51 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 16 G 8.07 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 0.00 0.00 0.00 17 K 7.85 4.68 0.00 1.76 1.79 0.00 1.86 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.57 7.81 18 Y 8.49 4.17 0.00 2.90 2.90 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 19 L 8.54 4.05 0.00 1.70 1.67 0.97 1.04 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 20 D 8.36 4.90 0.00 2.96 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 21 T 8.39 3.84 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 1.23 0.00 0.00 22 A 8.06 3.98 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 23 A 8.38 3.93 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 24 L 8.28 4.03 0.00 2.07 1.78 0.98 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.26 3.94 0.00 2.16 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 2.33 2.37 0.00 26 K 8.21 3.95 0.00 2.02 1.83 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.50 7.81 27 L 8.03 3.90 0.00 1.97 1.86 1.01 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.11 4.21 0.00 2.08 1.95 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.58 1.78 7.81 29 S 7.84 4.24 0.00 4.05 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 30 Y 7.90 4.17 0.00 2.95 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 8.00 4.20 0.00 3.30 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 32 S 8.73 4.30 0.00 4.05 4.16 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 33 T 7.93 4.46 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 1.27 0.00 0.00 34 G 7.33 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 0.00 0.00 0.00 35 E 8.05 3.95 0.00 2.03 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 2.37 2.39 0.00 36 L 7.84 3.99 0.00 1.90 1.70 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.18 3.90 0.00 1.99 1.99 0.00 2.98 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 38 V 7.90 3.58 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 1.08 0.00 0.00 0.93 0.00 0.00 39 R 8.35 3.86 0.00 2.06 1.97 0.00 3.20 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 1.65 1.82 0.00 40 A 8.24 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 41 A 8.22 3.92 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 42 T 8.28 3.81 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 43 T 8.15 3.93 4.43 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 1.23 0.00 0.00 44 I 7.93 3.71 2.07 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 1.52 0.60 0.95 0.00 0.00 45 A 8.30 4.11 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 46 A 7.48 3.98 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 47 N 8.18 4.67 0.00 2.82 2.86 0.00 0.00 6.93 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 A 7.63 3.98 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 49 A 7.98 3.94 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 50 A 7.96 3.95 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 51 I 8.17 3.64 2.06 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.68 0.95 0.00 0.00 52 V 7.52 3.55 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 0.97 0.00 0.00 1.07 0.00 0.00 53 K 8.24 3.84 0.00 1.97 1.98 0.00 1.71 0.00 0.00 1.60 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 105 D 8.00 4.42 0.00 2.83 2.78 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 0.00 106 E 8.53 4.12 0.00 1.99 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 2.31 2.53 0.00 107 R 8.21 4.40 0.00 1.61 1.64 0.00 3.39 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.83 0.00 108 V 7.22 3.92 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.55 0.00 0.00 109 L 8.28 4.10 0.00 1.70 1.65 1.03 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 110 N 7.25 4.40 0.00 2.78 2.69 0.00 0.00 7.26 7.86 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 0.00 111 G 8.60 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 0.00 0.00 0.00 0.00 112 L 7.60 3.69 0.00 1.81 1.50 0.23 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.04 3.59 1.92 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.37 0.89 0.00 0.00 131 Q 8.34 3.96 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 132 A 7.88 3.96 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 0.00 133 M 7.92 3.87 0.00 1.74 1.79 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.47 0.00 134 K 7.23 3.79 0.00 1.64 1.94 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.80 7.81 135 E 7.98 3.95 0.00 2.19 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 2.33 2.49 0.00 136 V 7.92 3.59 2.18 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 1.05 0.00 0.00 0.94 0.00 0.00 137 T 8.44 3.83 4.55 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 1.39 0.00 0.00 138 A 8.31 4.07 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 0.00 139 S 7.85 4.23 0.00 4.09 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 0.00 140 L 7.22 4.39 0.00 1.87 1.78 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 141 V 7.95 4.16 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 0.78 0.00 0.00 1.10 0.00 0.00 142 G 7.84 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 0.00 0.00 0.00 0.00 143 P 0.00 4.23 0.00 2.28 2.35 0.00 3.72 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 2.09 2.08 0.00 144 D 8.07 4.30 0.00 2.72 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 0.00 145 A 8.05 4.18 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 0.00 146 G 8.47 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 0.00 147 K 7.97 3.96 0.00 1.93 2.02 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.44 7.81 148 E 8.20 3.92 0.00 2.16 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 2.43 2.62 0.00 149 M 8.53 4.09 0.00 1.90 2.24 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.85 0.00 150 G 8.14 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 0.00 151 V 7.63 3.58 1.83 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 0.66 0.00 0.00 -0.19 0.00 0.00 152 Y 7.30 4.36 0.00 2.98 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 0.00 153 F 8.17 4.65 0.00 3.29 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 0.00 154 D 8.78 4.48 0.00 2.91 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 0.00 155 Y 8.07 3.92 0.00 3.38 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 0.00 156 I 7.77 3.74 2.02 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.01 0.53 0.00 0.00 157 C 8.08 4.15 0.00 3.16 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 S 8.57 4.17 0.00 3.62 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 G 7.67 3.48 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 0.00 160 L 7.77 4.33 0.00 1.82 1.76 0.88 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 161 S 7.45 4.36 0.00 4.03 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.