NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.5244 8.1749 117.3746 63.4550 70.0983 172.7908 2 S 4.6997 9.6350 122.0447 54.8997 66.0410 171.6447 3 I 5.3153 8.1843 117.8901 59.7845 41.0834 173.7388 4 M 4.8874 8.7459 119.7705 54.5000 35.0123 173.2062 5 A 5.0734 8.4145 120.6597 50.3517 22.2950 175.5245 6 V 4.5311 8.9441 122.8168 61.1576 34.5931 174.7500 7 T 4.8210 8.6616 118.1116 60.6538 70.2094 173.6198 8 F 5.0164 8.4283 118.4345 54.9110 41.5255 175.6554 9 K 4.0014 8.8102 121.3226 59.8132 31.9101 176.4603 10 D 4.6755 8.4489 114.5818 53.4617 42.6097 174.7584 11 G 4.1660 5.6378 114.0173 44.1487 0.0000 176.6694 12 V 4.9625 7.7705 118.7047 60.4997 33.7472 172.4378 13 I 4.7212 8.9063 122.1060 59.6403 41.0293 174.2304 14 L 5.1238 8.5975 125.5319 53.0763 43.9915 175.9629 15 G 4.3488 8.8946 108.9321 44.9423 0.0000 170.9756 16 A 5.6294 8.3951 119.8973 51.9578 22.0876 175.7797 17 D 4.7723 8.6533 120.0269 52.2045 42.0178 176.1062 18 S 4.9510 8.3379 110.3724 57.1636 64.2992 172.8830 19 R 5.0972 8.5824 121.2824 55.6061 31.6983 175.2018 20 T 4.7963 8.8491 116.5273 60.0426 71.4694 173.0497 21 T 5.1063 8.6513 115.2435 60.0889 72.0302 174.2026 22 T 4.4962 8.7171 112.6270 59.9448 69.7892 174.6771 23 G 4.1418 8.3259 121.8854 46.9597 0.0000 172.8916 24 A 4.3381 8.5850 126.3014 52.4686 19.4892 176.6233 25 Y 4.3550 7.6241 117.4133 56.6517 39.5365 174.6931 26 I 4.2949 7.2770 127.9396 59.6452 36.4847 175.2809 27 A 4.0767 8.1883 129.8286 54.4641 18.6819 177.7886 28 N 4.8350 7.8136 114.4280 52.3643 41.7672 174.6351 29 R 4.5139 8.5992 120.9096 56.4435 30.3978 176.4477 30 V 4.5815 7.7935 112.3255 61.3114 32.6118 176.2476 31 T 3.9668 8.2939 116.8887 64.0727 69.8163 173.4869 32 D 4.9815 8.6179 124.4406 52.8081 41.9012 175.6747 33 K 4.3458 8.6608 124.4579 56.7884 33.5969 176.4130 34 L 4.8257 8.2462 121.6457 54.1507 42.1616 176.0409 35 T 4.5260 8.8952 121.9150 61.5354 71.0072 174.2279 36 R 3.0871 7.9402 126.7837 55.1624 30.0771 176.1043 37 V 4.0540 7.6532 118.7384 62.0957 32.8341 175.0463 38 H 4.6026 7.5271 117.6331 55.0373 32.5663 173.6490 39 D 4.5265 8.3435 122.2369 57.2777 40.6161 179.7547 40 K 5.0615 8.1128 117.1171 56.2624 33.9811 175.3788 41 I 5.1113 8.1759 120.5810 59.6502 40.6856 175.0292 42 W 5.5481 9.8067 126.6317 55.1367 33.8897 173.8397 43 C 5.2833 9.4828 114.8901 57.4099 33.2805 172.5037 44 C 5.2548 9.1485 117.9120 58.2189 30.3198 173.2498 45 R 5.0242 8.1896 121.8769 54.8997 31.1292 176.1184 46 S 4.4964 8.9741 116.1960 57.8573 66.4675 172.3434 47 G 4.3452 8.9821 105.9288 44.1445 0.0000 174.1141 48 S 4.1557 9.7567 119.2201 57.8863 62.9703 175.1640 49 A 4.0214 8.9011 129.9507 55.2093 18.2216 179.0552 50 A 3.9377 7.9598 118.7135 55.4615 18.4530 179.4983 51 D 4.3289 8.3825 117.8220 57.7874 40.9720 179.2008 52 T 3.9824 8.5106 110.7177 64.7586 68.7692 176.7428 53 Q 3.9706 8.4434 120.8850 58.6991 28.7832 178.5365 54 A 3.9996 8.0599 121.6926 55.2256 18.3435 179.7499 55 I 3.6029 8.1335 118.3391 64.3533 37.1294 178.4062 56 A 4.0048 8.5582 121.8570 55.5266 18.2791 179.1989 57 D 4.3380 8.4673 117.6432 57.8454 40.7898 179.5073 58 I 3.8041 7.7600 120.0859 64.2802 37.0722 178.6039 59 V 3.4062 7.8571 119.4162 65.8492 31.2133 177.7789 60 Q 4.0622 8.3327 119.7047 59.4086 29.0206 177.6830 61 Y 4.0648 7.9446 120.4775 60.9493 38.7128 177.8600 62 H 3.7589 8.3169 117.2089 58.8876 28.8070 177.9377 63 L 3.9431 8.2101 120.9853 57.5240 41.4352 179.2288 64 E 3.9231 8.1344 119.6991 58.9952 29.2430 178.5236 65 L 3.8908 7.5959 120.1151 57.6993 41.9810 178.2731 66 Y 3.9682 8.2105 119.8860 60.9223 38.5974 177.9320 67 T 4.7862 7.9230 116.6893 66.5120 68.7185 176.1479 68 S 4.1489 7.5194 114.8156 61.4202 62.8525 176.0959 69 Q 4.0651 6.9812 118.3418 56.4690 29.4703 176.1279 70 Y 4.4628 7.6385 115.9692 57.6579 39.3083 175.3911 *72 G 4.0361 7.5488 108.9841 45.3875 0.0000 172.1394 73 T 4.2380 8.5424 115.7277 63.3876 68.7355 172.5972 74 P 4.5382 0.0000 0.0000 61.9312 32.7896 176.5853 75 S 4.4524 8.0726 114.9359 58.2132 64.9729 175.4379 76 T 3.9299 8.2620 118.7833 66.5814 68.1730 176.6260 77 E 3.9500 8.0835 121.0279 59.5833 29.6938 178.8839 78 T 3.8247 7.7747 115.5652 66.3824 68.4661 176.6642 79 A 3.9758 7.9021 122.1928 55.0204 18.3188 179.5829 80 A 4.1122 8.2507 119.4518 55.2416 18.3265 179.8382 81 S 4.0277 8.1434 111.8824 61.4835 62.4514 176.6090 82 V 3.5244 7.8178 121.0334 65.8228 31.1566 177.9831 83 F 3.9437 8.1629 117.4662 60.4258 38.8321 177.4255 84 K 3.9661 8.4914 119.4758 59.5521 32.0158 178.0631 85 E 3.9828 8.4896 119.8093 59.4550 29.5930 178.9101 86 L 3.9741 7.9077 118.5799 58.2011 41.5556 179.3197 87 C 4.2223 8.2266 115.4643 62.8730 28.4608 175.4783 88 Y 4.2199 8.7518 121.3878 60.8069 38.3357 177.2748 89 E 3.9344 8.1730 118.6351 58.2207 29.5039 176.8595 90 N 4.9950 7.8894 115.8910 52.3713 39.2797 176.6699 91 K 3.7130 7.6376 120.2744 59.9606 32.8762 177.8291 92 D 4.3095 7.5931 119.0846 56.9015 40.9409 177.6145 *94 N 5.1127 7.8958 113.7451 52.5380 40.0744 173.6952 95 L 5.1113 7.6667 116.8237 53.5062 45.3977 176.7761 96 T 4.7433 8.3907 116.9946 61.4245 69.4981 171.3302 97 A 5.0596 8.2649 124.0404 49.7513 22.8910 175.4950 98 G 4.1384 9.6428 110.3829 43.5971 0.0000 171.9650 99 I 5.0616 8.3803 126.3626 59.2264 40.6189 175.1093 100 I 4.3233 8.4168 127.0077 59.5842 39.2749 174.5858 101 V 4.7053 8.3230 126.9811 61.0035 33.3049 174.5392 102 A 4.8231 9.3472 129.7525 50.2074 21.9203 174.9641 103 G 4.5986 8.6780 107.8147 44.4826 0.0000 171.1086 104 Y 4.6895 8.9043 122.0042 55.4791 40.9357 175.1624 105 D 4.3127 7.9180 124.9378 54.2008 41.5147 175.3510 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 T 8.17 4.52 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 1.22 0.00 0.00 2 S 9.64 4.70 0.00 3.72 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 I 8.18 5.32 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 1.40 0.61 0.92 0.00 0.00 4 M 8.75 4.89 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 5 A 8.41 5.07 1.21 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 6 V 8.94 4.53 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 1.12 0.00 0.00 0.94 0.00 0.00 7 T 8.66 4.82 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 1.23 0.00 0.00 8 F 8.43 5.02 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 9 K 8.81 4.00 0.00 1.85 2.10 0.00 1.82 0.00 0.00 1.80 0.00 0.00 2.84 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.46 1.55 7.81 10 D 8.45 4.68 0.00 2.69 2.58 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 11 G 5.64 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 0.00 0.00 0.00 12 V 7.77 4.96 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 0.78 0.00 0.00 1.03 0.00 0.00 13 I 8.91 4.72 1.87 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 1.31 1.05 0.85 0.00 0.00 14 L 8.60 5.12 0.00 1.44 1.57 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.89 4.35 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 0.00 0.00 0.00 16 A 8.40 5.63 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.65 4.77 0.00 2.68 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.34 4.95 0.00 3.96 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 19 R 8.58 5.10 0.00 1.79 2.04 0.00 3.17 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.49 0.00 20 T 8.85 4.80 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 21 T 8.65 5.11 4.44 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 1.19 0.00 0.00 22 T 8.72 4.50 4.31 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 1.27 0.00 0.00 23 G 8.33 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 24 A 8.59 4.34 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 7.62 4.35 0.00 3.09 3.02 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 26 I 7.28 4.29 1.57 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 1.24 0.55 0.80 0.00 0.00 27 A 8.19 4.08 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 28 N 7.81 4.84 0.00 2.57 2.60 0.00 0.00 6.85 7.53 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 29 R 8.60 4.51 0.00 1.91 1.95 0.00 3.00 0.00 0.00 3.18 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 30 V 7.79 4.58 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 0.70 0.00 0.00 1.00 0.00 0.00 31 T 8.29 3.97 4.31 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 1.23 0.00 0.00 32 D 8.62 4.98 0.00 2.70 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.66 4.35 0.00 1.79 1.85 0.00 1.82 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.49 7.81 34 L 8.25 4.83 0.00 1.88 1.90 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 35 T 8.90 4.53 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 36 R 7.94 3.09 0.00 0.67 1.14 0.00 3.09 0.00 0.00 2.90 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.50 0.00 37 V 7.65 4.05 2.10 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 0.89 0.00 0.00 1.06 0.00 0.00 38 H 7.53 4.60 0.00 3.13 3.15 0.00 5.90 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.34 4.53 0.00 2.68 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 0.00 0.00 0.00 40 K 8.11 5.06 0.00 1.84 2.06 0.00 1.79 0.00 0.00 2.10 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.57 7.81 41 I 8.18 5.11 1.98 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.03 1.03 0.00 0.00 42 W 9.81 5.55 0.00 3.17 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 43 C 9.48 5.28 0.00 2.77 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 44 C 9.15 5.25 0.00 2.82 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 45 R 8.19 5.02 0.00 1.77 1.88 0.00 3.20 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 46 S 8.97 4.50 0.00 3.88 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 47 G 8.98 4.35 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 0.00 0.00 0.00 48 S 9.76 4.16 0.00 3.84 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 49 A 8.90 4.02 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 50 A 7.96 3.94 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 D 8.38 4.33 0.00 2.84 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 52 T 8.51 3.98 4.31 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 1.31 0.00 0.00 53 Q 8.44 3.97 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 54 A 8.06 4.00 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 55 I 8.13 3.60 2.13 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.89 0.98 0.00 0.00 56 A 8.56 4.00 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 57 D 8.47 4.34 0.00 2.83 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 58 I 7.76 3.80 1.99 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 1.37 0.72 1.00 0.00 0.00 59 V 7.86 3.41 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 0.72 0.00 0.00 -0.22 0.00 0.00 60 Q 8.33 4.06 0.00 2.10 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 61 Y 7.94 4.06 0.00 3.11 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 62 H 8.32 3.76 0.00 3.28 3.25 0.00 5.67 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 63 L 8.21 3.94 0.00 1.60 1.57 0.87 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.13 3.92 0.00 2.04 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 2.25 2.29 0.00 65 L 7.60 3.89 0.00 1.48 1.51 0.83 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 8.21 3.97 0.00 3.26 3.10 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 67 T 7.92 4.79 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 1.27 0.00 0.00 68 S 7.52 4.15 0.00 3.92 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 69 Q 6.98 4.07 0.00 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.14 0.00 0.00 0.00 0.00 0.00 1.97 2.13 0.00 70 Y 7.64 4.46 0.00 2.22 2.58 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 *72 G 7.55 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 0.00 0.00 0.00 73 T 8.54 4.24 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 1.31 0.00 0.00 74 P 0.00 4.54 0.00 1.70 1.14 0.00 3.70 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.68 0.00 75 S 8.07 4.45 0.00 4.03 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 76 T 8.26 3.93 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 1.26 0.00 0.00 77 E 8.08 3.95 0.00 2.00 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 2.35 2.38 0.00 78 T 7.77 3.82 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 0.75 0.00 0.00 79 A 7.90 3.98 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 80 A 8.25 4.11 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 81 S 8.14 4.03 0.00 4.00 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 82 V 7.82 3.52 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 0.78 0.00 0.00 0.84 0.00 0.00 83 F 8.16 3.94 0.00 3.42 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 84 K 8.49 3.97 0.00 1.88 2.02 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.72 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.48 1.59 7.81 85 E 8.49 3.98 0.00 2.30 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 0.00 2.32 2.45 0.00 86 L 7.91 3.97 0.00 1.94 1.72 0.82 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 87 C 8.23 4.22 0.00 3.05 3.09 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 88 Y 8.75 4.22 0.00 2.95 3.09 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 89 E 8.17 3.93 0.00 2.40 1.99 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 2.38 2.42 0.00 90 N 7.89 4.99 0.00 2.95 2.75 0.00 0.00 6.64 7.29 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 91 K 7.64 3.71 0.00 1.86 2.07 0.00 1.46 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.34 1.31 7.81 92 D 7.59 4.31 0.00 2.71 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *94 N 7.90 5.11 0.00 2.73 2.88 0.00 0.00 7.06 7.85 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 95 L 7.67 5.11 0.00 1.59 1.54 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 96 T 8.39 4.74 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 97 A 8.26 5.06 1.23 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 0.00 0.00 98 G 9.64 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 99 I 8.38 5.06 1.68 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.73 0.41 0.00 0.00 100 I 8.42 4.32 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.91 0.89 0.00 0.00 101 V 8.32 4.71 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 0.86 0.00 0.00 0.45 0.00 0.00 102 A 9.35 4.82 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 0.00 103 G 8.68 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.90 4.69 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 0.00 105 D 7.92 4.31 0.00 2.48 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.