NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.3247 8.1733 120.0849 56.4109 35.1335 175.3100 4 I 4.1810 7.1845 122.9726 59.9178 37.9869 173.1895 5 R 5.3397 9.5849 130.1170 54.4093 32.0078 174.7386 6 I 5.0437 8.1087 118.0522 59.2881 40.6434 174.8803 7 K 4.3716 9.0102 125.9252 55.6090 34.6426 176.0408 8 L 5.5930 8.2836 121.4085 52.8347 43.9176 176.3233 9 R 4.5676 8.5034 123.9691 54.0653 33.2517 173.5735 10 G 3.9516 7.7600 106.2621 45.0885 0.0000 172.3871 11 F 5.2361 7.8582 117.3600 57.6724 42.3777 174.1074 12 D 4.4713 8.4508 119.9718 55.7884 41.9527 176.8952 13 H 4.9384 8.6607 119.0252 55.1939 28.4277 174.7890 14 K 4.3008 7.7674 122.2932 57.3039 33.9223 177.9465 15 T 4.1877 7.7990 108.3571 63.5435 69.6164 176.4761 16 L 4.0863 7.5909 121.9596 56.2877 42.5669 176.6464 17 D 4.6023 7.9609 116.5187 55.7343 42.6553 178.0403 18 A 4.0830 7.5493 123.1665 54.9175 18.5473 178.7896 19 S 4.4523 8.1450 107.2787 58.4726 63.1985 174.3969 20 A 4.5684 7.8183 122.7344 52.4376 20.2282 177.1786 21 Q 4.3554 7.5942 114.8847 56.1074 30.0289 177.3074 22 K 4.1894 7.7051 118.2410 60.0323 32.4128 178.5452 23 I 4.2746 7.6427 116.5339 61.6693 35.7857 176.6824 24 V 4.2517 8.0830 121.7819 63.4454 33.4508 177.0750 25 E 4.3692 7.7509 117.6277 57.1714 29.7146 177.3074 26 A 4.5696 7.8247 118.0519 51.9240 18.7816 177.0632 27 A 4.7578 7.5874 120.4193 51.8932 20.2810 178.9139 28 R 4.1529 7.3423 112.7548 58.2144 30.3918 177.9540 29 R 4.2539 7.9227 116.3613 57.0451 30.6164 176.8814 30 S 4.7087 9.1847 112.3064 58.0468 63.9976 172.7025 31 G 4.3348 7.6448 109.1498 44.9365 0.0000 175.2411 32 A 4.1508 8.2769 131.3919 51.8629 18.7528 177.0848 33 Q 4.3171 8.2958 117.5654 56.1154 30.3352 176.1149 34 V 4.7467 8.0458 120.6154 60.8227 34.1522 175.0087 35 S 4.0950 8.8938 124.0950 58.5200 63.7301 174.9091 36 G 3.7851 8.8047 114.0491 44.7325 0.0000 169.8941 37 P 4.5290 0.0000 0.0000 63.0715 31.3720 176.0445 38 I 4.3787 8.6826 120.0761 58.6449 39.6313 173.2595 39 P 4.9395 0.0000 0.0000 61.4289 31.5091 175.5458 40 L 4.5679 8.3267 125.7482 53.5197 42.3686 174.8172 41 P 4.1786 0.0000 0.0000 63.6245 31.2758 175.9314 42 T 4.2182 8.3996 119.4196 63.3445 69.0960 174.4894 43 R 4.2190 8.5164 127.5072 55.7021 30.8062 176.2869 44 V 4.3727 8.2803 124.2021 62.1097 33.2341 176.2588 45 R 4.4980 8.2795 122.4306 54.7008 32.7386 172.8528 46 R 4.6567 8.4802 121.6377 53.1442 31.7232 175.3853 47 F 5.0632 7.2161 118.7979 55.2437 41.0740 174.0717 48 T 4.7978 8.6832 117.7372 61.8584 70.9144 173.8062 49 V 4.4127 8.4837 124.8888 60.8256 35.0440 174.7626 50 I 4.0511 8.6269 128.1022 61.4516 36.4174 175.7435 51 R 3.9800 8.7419 125.9903 59.1181 29.8647 178.0135 52 G 3.8437 7.9549 106.9655 44.3780 0.0000 172.3562 53 P 4.6565 0.0000 0.0000 63.7891 33.3633 176.0993 54 F 4.9320 8.2610 117.9628 58.4408 39.1310 177.6787 55 K 4.3727 9.1850 114.2253 54.4250 32.8991 174.7894 56 H 4.8515 7.8524 119.0011 53.5597 30.3183 174.3137 57 K 3.9487 8.2550 121.4739 58.3822 32.6787 176.6927 58 D 4.6826 7.7687 119.0453 55.1687 43.4293 177.7254 59 S 3.5633 7.5010 109.1372 60.5222 60.7198 171.4619 60 R 4.4524 7.3172 121.9796 55.6545 31.7897 175.7657 61 E 4.6690 8.8127 119.0052 54.4549 32.4181 174.1613 62 H 4.9529 8.3380 120.5671 53.7569 31.8849 172.2333 63 F 5.2245 8.2217 116.8499 55.7621 42.8012 173.9043 64 E 4.3609 8.6910 117.6248 54.5658 32.5832 175.6157 65 L 4.3983 7.9638 121.4132 53.3148 44.4119 175.2650 66 R 4.2472 8.4139 125.5104 55.6421 30.6939 177.0433 67 T 4.6046 8.4230 123.1860 62.7847 68.6598 173.4340 68 H 4.8685 8.6410 123.0272 54.7042 28.2540 174.8451 69 N 4.8051 8.5082 120.3855 53.4448 39.5843 174.5616 70 R 4.8047 8.6936 120.7437 55.0599 34.2790 173.2924 71 L 4.9744 8.9984 127.7062 53.2958 45.0059 175.2057 72 V 4.6929 8.3272 124.2691 61.3865 35.2789 173.3856 73 D 5.2584 8.6353 126.1463 52.3616 42.6961 174.7366 74 I 4.7118 7.8817 115.7110 59.1293 39.1855 176.5840 75 I 3.9693 8.7165 121.4542 63.1463 38.0655 176.2166 76 N 4.9661 7.9271 119.8000 50.6715 41.4297 172.8203 77 P 4.5705 0.0000 0.0000 61.4602 29.9581 175.5036 78 N 4.5615 7.9961 124.4179 54.1108 39.4115 176.1659 79 R 4.0634 8.2934 117.7513 57.3887 31.0749 178.7345 80 K 4.1044 8.0502 119.8348 59.6691 32.3667 178.5330 81 T 3.9076 7.8503 109.5821 64.8587 67.2782 175.6277 82 I 3.9032 7.4282 120.7575 62.5082 36.8442 176.6043 83 E 4.5154 7.8560 119.0815 56.4230 30.8656 177.1870 84 Q 4.2118 7.6797 117.6091 58.7972 29.3979 177.8558 85 L 3.9954 8.5077 120.2485 58.0004 41.6336 179.2065 86 M 4.1515 7.4422 114.3249 57.6826 32.1843 176.5325 87 T 4.4890 7.3789 105.6941 61.2747 70.8066 174.5663 88 L 4.2663 7.6821 125.5603 53.3578 40.3296 173.2118 89 D 4.7669 7.9864 119.2901 52.2365 42.2326 176.9550 90 L 4.6526 8.0972 128.0566 52.7255 41.9100 175.6875 91 P 4.6420 0.0000 0.0000 61.2989 31.4820 176.0015 92 T 4.0206 8.4483 119.9231 65.1255 67.5340 175.7568 93 G 4.1086 7.6154 108.3690 44.7094 0.0000 172.5114 94 V 4.5013 7.8461 118.3879 60.5827 34.7546 173.8824 95 E 4.8892 8.4272 124.2635 54.4546 33.3676 175.1913 96 I 5.2173 7.9629 117.9992 60.3296 39.5262 174.1777 97 E 4.5229 8.7619 126.9476 55.6367 31.8413 175.8331 98 I 5.0766 8.0066 121.0359 60.2785 40.8861 174.5822 99 K 4.8570 9.5790 126.7267 54.6186 36.9301 175.0913 100 T 5.1559 8.2362 112.1880 59.7704 70.8151 175.2998 *101 V 3.9074 8.3806 122.7160 60.8572 32.4044 172.0081 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 3 K 8.17 4.32 0.00 1.73 1.92 0.00 1.62 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.66 7.81 4 I 7.18 4.18 1.87 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 1.11 1.27 0.91 0.00 0.00 5 R 9.58 5.34 0.00 1.83 1.87 0.00 3.07 0.00 0.00 3.43 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 6 I 8.11 5.04 1.92 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 1.18 0.96 0.91 0.00 0.00 7 K 9.01 4.37 0.00 1.65 1.74 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.40 1.55 7.81 8 L 8.28 5.59 0.00 1.75 1.53 0.96 1.33 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 9 R 8.50 4.57 0.00 1.68 1.79 0.00 3.07 0.00 0.00 3.31 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.59 0.00 10 G 7.76 3.95 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 0.00 0.00 0.00 11 F 7.86 5.24 0.00 3.04 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 12 D 8.45 4.47 0.00 2.78 2.60 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 13 H 8.66 4.94 0.00 3.14 2.99 0.00 5.55 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 14 K 7.77 4.30 0.00 1.64 1.74 0.00 1.67 0.00 0.00 1.84 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.35 7.81 15 T 7.80 4.19 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 1.21 0.00 0.00 16 L 7.59 4.09 0.00 1.67 1.94 1.04 1.76 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 17 D 7.96 4.60 0.00 2.96 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 18 A 7.55 4.08 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 19 S 8.14 4.45 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 20 A 7.82 4.57 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.59 4.36 0.00 2.29 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 22 K 7.71 4.19 0.00 2.10 1.77 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.55 7.81 23 I 7.64 4.27 1.87 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 1.30 0.79 0.91 0.00 0.00 24 V 8.08 4.25 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 1.00 0.00 0.00 0.99 0.00 0.00 25 E 7.75 4.37 0.00 2.12 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 2.30 2.49 0.00 26 A 7.82 4.57 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 27 A 7.59 4.76 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 28 R 7.34 4.15 0.00 1.79 2.00 0.00 3.16 0.00 0.00 3.15 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.92 0.00 29 R 7.92 4.25 0.00 1.80 1.93 0.00 3.21 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 30 S 9.18 4.71 0.00 4.18 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 31 G 7.64 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 0.00 0.00 0.00 0.00 32 A 8.28 4.15 1.26 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 0.00 0.00 33 Q 8.30 4.32 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 34 V 8.05 4.75 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 0.87 0.00 0.00 0.93 0.00 0.00 35 S 8.89 4.09 0.00 3.96 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 36 G 8.80 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 0.00 0.00 0.00 37 P 0.00 4.53 0.00 1.95 2.07 0.00 3.67 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 2.03 2.22 0.00 38 I 8.68 4.38 1.87 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 1.45 0.82 0.95 0.00 0.00 39 P 0.00 4.94 0.00 2.10 2.14 0.00 3.76 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 40 L 8.33 4.57 0.00 1.67 1.72 0.92 0.76 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 41 P 0.00 4.18 0.00 2.20 2.13 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 42 T 8.40 4.22 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 1.09 0.00 0.00 43 R 8.52 4.22 0.00 1.70 1.89 0.00 3.27 0.00 0.00 3.10 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 44 V 8.28 4.37 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 0.71 0.00 0.00 0.89 0.00 0.00 45 R 8.28 4.50 0.00 1.79 1.84 0.00 3.49 0.00 0.00 3.25 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.84 0.00 46 R 8.48 4.66 0.00 1.50 1.58 0.00 3.07 0.00 0.00 2.25 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.25 0.00 47 F 7.22 5.06 0.00 3.11 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 48 T 8.68 4.80 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 1.17 0.00 0.00 49 V 8.48 4.41 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 1.10 0.00 0.00 0.99 0.00 0.00 50 I 8.63 4.05 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 1.42 0.92 0.95 0.00 0.00 51 R 8.74 3.98 0.00 1.90 2.03 0.00 3.36 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 52 G 7.95 3.84 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 53 P 0.00 4.66 0.00 2.26 2.23 0.00 3.76 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 2.06 1.98 0.00 54 F 8.26 4.93 0.00 2.92 2.60 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 55 K 9.18 4.37 0.00 1.25 1.36 0.00 0.61 0.00 0.00 1.24 0.00 0.00 2.57 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.77 0.21 7.81 56 H 7.85 4.85 0.00 3.13 3.17 0.00 5.63 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.26 3.95 0.00 1.71 1.87 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.76 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.39 7.81 58 D 7.77 4.68 0.00 2.63 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 59 S 7.50 3.56 0.00 4.02 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 60 R 7.32 4.45 0.00 2.04 1.95 0.00 2.93 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.50 0.00 61 E 8.81 4.67 0.00 1.91 1.60 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 1.65 2.07 0.00 62 H 8.34 4.95 0.00 3.08 3.07 0.00 5.54 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 63 F 8.22 5.22 0.00 3.09 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 64 E 8.69 4.36 0.00 1.81 1.79 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 2.15 2.21 0.00 65 L 7.96 4.40 0.00 1.71 1.62 0.34 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 66 R 8.41 4.25 0.00 1.74 1.64 0.00 3.30 0.00 0.00 3.23 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 67 T 8.42 4.60 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 1.24 0.00 0.00 68 H 8.64 4.87 0.00 3.07 3.33 0.00 5.90 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.51 4.81 0.00 2.62 2.75 0.00 0.00 6.88 7.66 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 70 R 8.69 4.80 0.00 1.89 1.71 0.00 3.04 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 71 L 9.00 4.97 0.00 1.76 1.45 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.33 4.69 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 0.98 0.00 0.00 0.98 0.00 0.00 73 D 8.64 5.26 0.00 2.64 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.88 4.71 1.87 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 1.33 1.18 0.91 0.00 0.00 75 I 8.72 3.97 1.87 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 0.59 0.93 0.00 0.00 76 N 7.93 4.97 0.00 2.62 2.68 0.00 0.00 6.98 7.69 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 77 P 0.00 4.57 0.00 2.22 2.07 0.00 3.82 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 78 N 8.00 4.56 0.00 2.84 2.82 0.00 0.00 7.01 7.66 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 79 R 8.29 4.06 0.00 1.80 1.97 0.00 3.36 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 80 K 8.05 4.10 0.00 1.86 1.93 0.00 1.65 0.00 0.00 1.87 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.72 7.81 81 T 7.85 3.91 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 82 I 7.43 3.90 1.87 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 1.68 1.09 0.91 0.00 0.00 83 E 7.86 4.52 0.00 1.96 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 2.22 2.31 0.00 84 Q 7.68 4.21 0.00 2.30 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.71 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 85 L 8.51 4.00 0.00 1.65 1.70 0.92 1.05 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 86 M 7.44 4.15 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.59 0.00 87 T 7.38 4.49 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 88 L 7.68 4.27 0.00 1.80 1.67 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 89 D 7.99 4.77 0.00 2.68 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 8.10 4.65 0.00 1.51 1.52 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.64 0.00 2.36 2.07 0.00 3.82 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.92 0.00 92 T 8.45 4.02 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 1.22 0.00 0.00 93 G 7.62 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 0.00 0.00 0.00 94 V 7.85 4.50 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 0.80 0.00 0.00 0.93 0.00 0.00 95 E 8.43 4.89 0.00 2.00 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 2.13 2.22 0.00 96 I 7.96 5.22 1.86 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 1.35 1.31 0.95 0.00 0.00 97 E 8.76 4.52 0.00 1.90 1.89 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 2.34 2.26 0.00 98 I 8.01 5.08 1.87 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 1.34 0.38 0.96 0.00 0.00 99 K 9.58 4.86 0.00 1.58 1.68 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.48 7.81 100 T 8.24 5.16 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 1.25 0.00 0.00 *101 V 8.38 3.91 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 0.68 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.