NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5540 8.1633 120.2794 55.2345 33.9138 174.4879 2 D 4.8589 8.7009 122.5782 52.1699 42.2625 170.6954 3 V 4.5030 9.3582 122.1102 59.8507 35.5701 174.0057 4 F 4.9796 8.9529 121.1641 55.8633 41.4896 174.6390 5 L 5.1793 9.2645 123.5497 53.2484 45.7112 175.5571 6 M 4.6386 8.6151 119.8857 53.6313 33.9275 172.7720 7 I 4.3848 8.8198 126.0474 60.7090 38.6158 175.0047 8 R 5.0475 9.2991 127.3240 54.4501 33.6890 175.1639 9 R 4.3833 9.0486 122.0499 57.1212 33.5843 174.5682 10 H 3.7792 10.2119 118.7583 58.0823 25.9723 174.1487 11 K 3.9469 8.1541 115.8160 57.1246 30.8242 174.9204 12 T 4.6511 7.6255 115.6165 62.2156 70.5320 173.6177 13 T 4.8368 8.2033 118.3217 61.5433 70.3399 172.3508 14 I 4.4737 8.9030 130.9097 59.8679 39.4060 174.6582 15 F 5.1622 8.8828 125.7770 56.4342 40.2763 174.9148 16 T 4.8188 8.7415 117.8473 61.1530 71.5511 171.2348 17 D 5.4736 8.2690 122.5434 50.4865 43.0534 173.8777 18 A 4.2659 7.4157 118.2090 51.3142 22.4272 175.5829 19 K 4.5386 8.0241 118.2266 55.8192 33.4264 178.6306 20 E 3.9343 9.3197 124.6312 58.9209 29.7359 178.5743 21 S 4.5486 7.8740 110.8764 58.6008 63.9900 174.2967 22 S 4.3693 8.0078 117.2778 58.6811 63.0785 172.7673 23 T 5.0494 9.3870 115.4403 59.6706 71.0333 175.6399 24 V 3.5744 8.8015 123.1283 66.4691 31.4758 178.3526 25 F 4.0632 8.2727 120.0799 61.3957 39.3679 177.0319 26 E 3.8689 8.1470 117.8143 59.0368 29.1496 179.1454 27 L 3.8932 7.6113 120.2672 57.9270 42.2440 178.8969 28 K 4.1923 7.5087 119.3501 58.6372 31.8455 179.5290 29 R 3.7037 7.3018 118.0701 59.3807 29.8989 178.9499 30 I 3.6621 7.4701 119.2178 64.5407 37.0256 178.6899 31 V 3.5929 7.8001 118.9842 65.7300 31.3132 177.6320 32 E 4.4417 7.7077 120.6465 58.8127 29.2795 179.0040 33 G 3.6718 7.8247 104.2869 48.1382 0.0000 175.2359 34 I 4.0310 7.3070 121.3094 63.4931 37.4097 176.7972 35 L 4.3899 8.3981 118.2061 53.9354 41.8598 177.8026 36 K 4.2672 7.8598 114.6346 55.4720 28.9523 173.2470 37 R 4.3582 7.2811 116.7975 54.1182 34.5343 173.3246 38 P 5.2288 0.0000 0.0000 61.4038 32.3725 175.3502 39 P 4.2209 0.0000 0.0000 65.9194 31.3231 178.3710 40 D 4.5218 8.1883 115.3013 55.6347 39.0503 176.5511 41 E 4.5104 8.5899 119.3653 56.1560 30.0148 175.0478 42 Q 5.1990 8.1806 117.8766 54.3993 32.3015 174.5746 43 R 4.7066 8.9438 119.7008 54.4484 33.8205 174.3407 44 L 5.2467 8.3806 122.8445 53.3740 44.4652 175.2716 45 Y 5.0423 9.1152 120.7946 56.3407 41.9022 175.1232 46 K 4.6435 8.5586 120.7250 55.1142 33.7704 175.3185 47 D 4.6086 9.0348 129.7071 55.3255 37.8827 173.9174 48 D 4.5559 8.3261 111.2643 55.2196 38.4929 174.5216 49 Q 4.4346 7.7070 120.4520 53.6357 30.1833 174.1203 50 L 3.6899 8.4450 127.7360 55.3241 42.6265 175.9866 51 L 4.7405 7.9969 125.5253 53.2761 43.9630 175.7565 52 D 4.6860 8.4439 122.0858 53.4800 42.0163 177.4944 53 D 4.5853 9.1273 123.0569 57.1930 41.1072 178.5960 54 G 3.8176 7.9459 106.0732 46.7003 0.0000 174.2072 55 K 4.4187 7.8840 120.9377 56.2761 32.9241 176.8707 56 T 4.6716 9.8599 114.6828 61.3018 71.2084 176.1154 57 L 4.3111 8.8258 123.0703 57.8955 41.6249 179.8399 58 G 3.9129 8.8099 106.1065 47.6994 0.0000 175.3736 59 E 4.0331 8.1603 120.3864 58.9894 29.6069 178.7353 60 C 4.4069 7.9206 113.3804 60.3098 28.1981 174.4709 61 G 3.6302 8.0331 109.5167 44.9203 0.0000 173.7993 62 F 4.5583 8.0346 119.9391 56.2686 38.7405 174.9961 63 T 4.9872 7.9218 114.3351 58.1558 71.7988 175.1930 64 S 4.0304 8.8197 116.9933 61.4596 62.8235 175.5499 65 Q 4.5041 7.5534 116.8612 56.2457 28.6676 176.2898 66 T 4.5179 7.7710 113.0766 63.2499 71.6474 174.1313 67 A 4.9031 8.8086 125.4051 50.3627 18.4674 175.0521 68 R 4.8744 7.6801 120.9761 53.4845 32.3834 176.1144 69 P 3.8451 0.0000 0.0000 65.9206 31.2118 178.0942 70 Q 4.1153 7.8695 113.7483 57.9304 29.2236 176.8169 71 A 4.7907 7.8787 120.6447 49.9741 20.0978 173.8559 72 P 4.8393 0.0000 0.0000 62.2650 32.7759 177.5462 73 A 4.4865 9.0176 123.3583 52.2625 20.0713 176.4164 74 T 4.9552 8.4991 116.7189 62.1109 70.5047 174.4319 75 V 4.5809 8.4210 125.6719 60.9123 34.3532 175.1103 76 G 4.0710 8.8904 115.4120 46.0974 0.0000 172.1109 77 L 5.4905 8.4256 123.2264 53.0170 45.6327 175.6607 78 A 4.6648 8.5827 125.1872 50.8368 22.7386 175.7378 79 F 5.7383 8.8491 124.0745 57.2264 42.6142 171.7275 80 R 4.1057 8.9502 124.7497 56.0191 29.8239 173.6095 81 A 4.4267 8.5484 125.9533 52.2309 17.8742 177.6682 82 D 4.5926 8.8165 115.3379 55.3041 40.7356 173.2654 83 D 4.6856 7.8694 121.0733 54.5077 39.2657 183.2453 84 T 3.3890 7.8357 115.4858 62.0416 65.3790 173.3238 *85 F 4.7979 7.8962 126.4366 56.3392 39.1003 174.9088 86 E 4.3159 8.4849 120.7746 55.7220 30.3019 176.5062 87 A 4.2985 8.3832 122.2310 51.0819 19.6862 177.3109 88 L 3.6695 8.2588 122.7372 55.3693 42.4857 175.9652 89 C 4.6827 8.5108 125.6815 57.6314 34.7944 172.2457 90 I 4.5970 8.1768 126.6988 59.1991 39.1559 175.2083 91 E 4.1512 8.6971 127.9929 55.3010 29.7368 175.6496 92 P 4.1638 0.0000 0.0000 62.2635 32.2619 175.8132 93 F 4.8736 8.0128 117.8191 56.3769 39.7630 175.6133 94 S 4.3597 8.6145 117.3165 58.9454 63.1003 173.4928 95 S 4.8173 8.1910 116.2924 55.6730 64.6259 172.9596 96 P 4.5807 0.0000 0.0000 61.9360 32.7002 176.8052 97 P 4.7455 0.0000 0.0000 60.9893 30.5745 175.9892 98 E 4.0520 8.9443 117.9698 56.4626 30.4075 173.4729 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 8.16 4.55 0.00 2.00 2.19 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.56 0.00 2 D 8.70 4.86 0.00 2.58 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 0.00 0.00 0.00 3 V 9.36 4.50 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 0.64 0.00 0.00 1.08 0.00 0.00 4 F 8.95 4.98 0.00 3.23 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 5 L 9.26 5.18 0.00 1.38 1.35 0.58 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 6 M 8.62 4.64 0.00 1.89 1.64 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 1.46 2.22 0.00 7 I 8.82 4.38 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 1.09 0.23 0.81 0.00 0.00 8 R 9.30 5.05 0.00 1.53 1.66 0.00 3.08 0.00 0.00 2.94 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.64 0.00 9 R 9.05 4.38 0.00 1.65 1.53 0.00 3.00 0.00 0.00 2.40 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.43 0.00 10 H 10.21 3.78 0.00 3.26 3.26 0.00 6.01 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 11 K 8.15 3.95 0.00 1.89 1.92 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.45 7.81 12 T 7.63 4.65 4.42 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 1.23 0.00 0.00 13 T 8.20 4.84 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 1.43 0.00 0.00 14 I 8.90 4.47 1.82 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 1.26 0.49 0.92 0.00 0.00 15 F 8.88 5.16 0.00 2.91 3.05 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 16 T 8.74 4.82 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 1.15 0.00 0.00 17 D 8.27 5.47 0.00 2.08 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 0.00 0.00 0.00 18 A 7.42 4.27 1.10 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 19 K 8.02 4.54 0.00 1.67 1.71 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.36 7.81 20 E 9.32 3.93 0.00 2.13 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 2.34 2.52 0.00 21 S 7.87 4.55 0.00 4.02 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 22 S 8.01 4.37 0.00 3.81 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 23 T 9.39 5.05 4.48 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 1.25 0.00 0.00 24 V 8.80 3.57 2.29 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 1.00 0.00 0.00 1.08 0.00 0.00 25 F 8.27 4.06 0.00 3.35 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 26 E 8.15 3.87 0.00 2.19 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 2.44 2.43 0.00 27 L 7.61 3.89 0.00 1.74 1.59 0.71 0.42 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 28 K 7.51 4.19 0.00 1.65 1.66 0.00 1.90 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.53 1.41 7.81 29 R 7.30 3.70 0.00 1.88 1.85 0.00 3.23 0.00 0.00 2.99 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.67 0.00 30 I 7.47 3.66 1.95 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 1.36 1.26 0.88 0.00 0.00 31 V 7.80 3.59 2.38 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 1.17 0.00 0.00 0.93 0.00 0.00 32 E 7.71 4.44 0.00 2.19 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 2.29 2.18 0.00 33 G 7.82 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.31 4.03 1.99 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 1.54 0.71 0.94 0.00 0.00 35 L 8.40 4.39 0.00 1.83 1.91 1.05 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 36 K 7.86 4.27 0.00 1.79 1.75 0.00 1.83 0.00 0.00 2.61 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 1.33 7.81 37 R 7.28 4.36 0.00 1.72 1.54 0.00 2.64 0.00 0.00 3.00 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.50 0.00 38 P 0.00 5.23 0.00 2.21 1.98 0.00 3.84 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 2.08 2.04 0.00 39 P 0.00 4.22 0.00 2.34 1.89 0.00 3.64 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.90 0.00 40 D 8.19 4.52 0.00 2.82 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 41 E 8.59 4.51 0.00 2.12 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 2.27 2.22 0.00 42 Q 8.18 5.20 0.00 2.22 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.76 0.00 0.00 0.00 0.00 0.00 2.55 2.48 0.00 43 R 8.94 4.71 0.00 1.94 1.65 0.00 3.24 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 44 L 8.38 5.25 0.00 1.55 1.56 0.86 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 9.12 5.04 0.00 2.87 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 46 K 8.56 4.64 0.00 1.93 1.65 0.00 1.42 0.00 0.00 1.47 0.00 0.00 2.66 0.00 0.00 2.34 0.00 0.00 0.00 0.00 1.29 1.37 7.81 47 D 9.03 4.61 0.00 2.88 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 48 D 8.33 4.56 0.00 2.85 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 49 Q 7.71 4.43 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.97 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 50 L 8.45 3.69 0.00 1.53 1.41 0.81 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.00 4.74 0.00 1.63 1.59 1.12 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.44 4.69 0.00 2.60 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 53 D 9.13 4.59 0.00 2.84 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 54 G 7.95 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 55 K 7.88 4.42 0.00 2.01 1.77 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.53 7.81 56 T 9.86 4.67 4.51 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 1.29 0.00 0.00 57 L 8.83 4.31 0.00 1.77 1.93 0.82 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 58 G 8.81 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 59 E 8.16 4.03 0.00 2.13 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 2.36 2.38 0.00 60 C 7.92 4.41 0.00 3.29 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 61 G 8.03 3.63 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 0.00 0.00 0.00 62 F 8.03 4.56 0.00 3.24 3.03 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 63 T 7.92 4.99 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 1.27 0.00 0.00 64 S 8.82 4.03 0.00 3.94 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 65 Q 7.55 4.50 0.00 2.02 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 66 T 7.77 4.52 4.48 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 1.25 0.00 0.00 67 A 8.81 4.90 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 68 R 7.68 4.87 0.00 1.90 1.84 0.00 3.19 0.00 0.00 3.36 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.70 0.00 69 P 0.00 3.85 0.00 1.69 1.56 0.00 3.41 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.44 0.00 70 Q 7.87 4.12 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.27 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 71 A 7.88 4.79 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 72 P 0.00 4.84 0.00 2.18 2.29 0.00 3.89 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.30 0.00 73 A 9.02 4.49 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 0.00 0.00 0.00 0.00 0.00 74 T 8.50 4.96 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 75 V 8.42 4.58 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 1.01 0.00 0.00 0.58 0.00 0.00 76 G 8.89 4.07 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 0.00 0.00 0.00 77 L 8.43 5.49 0.00 1.47 1.38 0.80 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.58 4.66 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 79 F 8.85 5.74 0.00 2.95 2.84 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 80 R 8.95 4.11 0.00 2.00 1.83 0.00 3.28 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 1.43 1.18 0.00 81 A 8.55 4.43 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 82 D 8.82 4.59 0.00 2.71 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 83 D 7.87 4.69 0.00 2.69 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 84 T 7.84 3.39 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 *85 F 7.90 4.80 0.00 2.06 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 0.00 0.00 0.00 0.00 86 E 8.48 4.32 0.00 1.96 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 2.61 2.31 0.00 87 A 8.38 4.30 1.22 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 0.00 0.00 0.00 88 L 8.26 3.67 0.00 0.71 1.17 0.63 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 89 C 8.51 4.68 0.00 2.91 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 90 I 8.18 4.60 1.74 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.67 0.72 0.00 0.00 91 E 8.70 4.15 0.00 1.88 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 2.24 2.23 0.00 92 P 0.00 4.16 0.00 2.13 1.97 0.00 3.69 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 93 F 8.01 4.87 0.00 3.10 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 94 S 8.61 4.36 0.00 4.01 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 95 S 8.19 4.82 0.00 3.87 3.82 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 0.00 0.00 0.00 96 P 0.00 4.58 0.00 2.18 2.07 0.00 3.80 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 97 P 0.00 4.75 0.00 2.20 1.57 0.00 3.88 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 1.99 1.95 0.00 98 E 8.94 4.05 0.00 2.10 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 2.18 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.