NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1507 8.2644 123.5839 52.0436 19.6620 174.8759 2 K 3.5113 7.1617 125.9950 54.8781 30.3427 174.5826 3 Q 3.7857 8.2810 125.5678 58.5164 30.4452 177.9692 4 S 4.0222 8.0419 113.6866 61.8741 62.4035 175.8407 5 M 4.0599 7.7043 119.5323 58.4402 31.8518 178.1951 6 K 4.0498 7.9220 119.7133 58.9685 32.5766 178.3126 7 A 4.1670 8.2455 121.1529 55.2004 18.1973 179.5473 8 R 3.8489 7.7301 116.8509 59.8443 30.1375 178.7151 9 E 3.9621 8.5748 119.0490 59.0257 29.5790 178.9835 10 V 3.5827 7.7199 118.6450 65.5588 31.5168 177.7683 11 K 4.0575 7.9547 118.8735 58.8276 32.1537 179.0200 12 R 3.8712 7.6571 118.5547 59.1911 29.8470 179.0239 13 V 4.1970 8.5091 118.2809 65.8993 31.7848 177.1734 14 A 4.0124 8.2918 120.7121 54.6021 18.1091 179.0908 15 L 3.9844 8.8796 115.5855 58.0030 41.9191 179.8757 16 A 4.0922 7.8018 119.0011 54.6065 18.2188 178.2434 17 D 5.0521 7.8840 117.0120 53.4823 41.1430 178.1510 18 K 3.9146 8.1512 118.7032 60.2143 32.3850 177.3579 19 Y 4.3638 8.1007 116.0402 58.8763 38.1222 176.0943 20 F 4.2192 7.8744 118.2983 58.7440 40.1269 176.5466 21 A 4.1111 8.7397 129.9458 53.3899 18.6008 179.4216 22 K 4.7509 7.1511 120.7597 55.2313 31.3207 180.7950 23 R 3.8386 9.1164 117.0137 58.9121 29.9025 178.0878 24 A 3.6518 8.0870 120.0011 54.9334 18.6617 178.4834 25 E 3.9092 8.3522 114.4003 59.6031 29.6430 177.4964 26 L 4.5356 7.3972 120.4572 52.3896 39.7314 174.6856 27 K 4.2161 7.7886 126.0367 57.0819 35.3913 176.9228 28 A 4.0427 7.3100 121.8277 54.6997 18.8428 178.4874 29 I 3.8629 8.0481 114.2076 64.0014 38.1200 178.5400 30 I 3.7694 7.9285 118.9992 64.4061 37.2926 177.6201 31 S 4.7542 8.1173 114.5239 56.7042 62.6043 172.5669 32 D 4.3850 8.0840 117.3979 53.3586 44.6100 174.0005 33 V 3.5269 7.4157 123.0271 63.1012 30.0776 175.3266 34 N 4.9150 8.2559 120.0047 53.2618 41.0500 174.8900 35 A 4.2579 7.6822 122.4739 51.0801 20.2902 176.9792 *40 R 3.6482 8.0558 117.4865 55.3241 30.9410 175.3536 41 W 4.4338 7.6360 118.4522 56.4958 26.7547 175.8935 42 N 4.2429 8.7888 125.2388 56.7967 38.9299 176.3422 43 A 4.1353 7.7649 117.8498 53.4660 18.1784 178.9510 44 V 3.8880 7.7209 111.2688 63.6102 32.0263 177.5664 45 L 4.4251 7.7889 126.5894 54.1304 41.0702 175.2598 46 K 4.7249 7.6416 121.1585 57.8039 40.3500 178.2097 47 L 4.1716 7.3705 116.0702 56.4070 42.3233 177.4102 48 Q 4.3903 7.6310 120.0291 56.2269 27.4327 176.8927 49 T 4.7154 7.2062 111.0795 60.5594 69.5899 174.0756 50 L 4.3380 7.1434 122.6772 54.0172 44.4059 179.2934 51 P 3.2955 0.0000 0.0000 62.0449 33.4543 174.6927 52 R 4.3302 7.8230 123.1156 56.8448 28.8289 176.8019 53 D 4.4709 7.6504 116.6768 56.0300 40.9524 177.6420 54 S 4.3377 7.3752 115.1727 55.3818 60.8812 171.9062 55 S 3.4606 7.2352 114.5726 55.8782 65.3929 175.4656 56 P 4.1967 0.0000 0.0000 66.0400 30.9017 178.0196 57 S 4.3096 7.8636 110.0692 59.0295 63.0328 174.2817 58 R 4.1923 7.5561 120.9381 57.3081 30.8136 176.4802 59 Q 4.2473 7.7767 116.8955 56.1115 28.6779 174.9028 60 R 4.0238 7.6163 118.0380 54.8252 31.3936 176.0559 61 N 4.0696 7.6914 126.7999 53.3009 36.8557 173.8636 62 R 4.4979 7.3507 121.0883 54.0304 33.2989 174.9471 63 C 3.9059 8.8379 122.3551 58.9467 30.9578 174.5644 64 R 3.9820 8.9173 129.3188 59.3064 29.9898 177.8003 65 Q 4.2543 8.1513 115.9308 58.5797 29.2888 177.1037 66 T 4.0582 7.8761 106.3978 64.9993 69.4349 174.4436 67 G 3.4036 7.8638 113.6319 44.2515 0.0000 173.8834 68 R 3.7935 7.6064 120.5493 56.7785 30.1039 174.2205 69 P 4.8869 0.0000 0.0000 62.9050 31.4634 174.9731 70 H 4.8719 7.6874 114.9608 55.6506 32.4681 174.0916 71 G 4.3242 8.9893 108.7474 46.1567 0.0000 173.5557 72 F 4.6367 7.6206 120.8279 58.0926 40.0998 174.7385 73 L 4.5474 7.1033 124.3670 52.8210 44.4212 177.3772 74 R 3.7912 8.8072 123.3627 59.4155 30.3214 178.8173 75 K 3.5737 7.5490 116.8263 58.7883 31.9749 176.7835 76 F 4.7127 7.1323 113.1207 56.1535 41.0332 175.7289 77 G 3.8512 8.5010 109.1277 46.2839 0.0000 173.0309 78 L 5.2037 7.1425 117.3443 52.1166 46.3507 175.3360 79 S 5.1202 8.4816 115.5378 57.4599 65.3409 176.2135 80 R 3.7866 8.2582 123.8409 60.1035 29.4161 177.9969 81 I 3.5894 8.2273 119.6017 64.6345 36.9313 177.5796 82 K 3.9231 8.0582 121.7583 59.4389 32.3587 179.0729 83 V 3.4092 7.8018 119.3248 65.8456 31.4499 177.6964 84 R 3.8805 8.3760 118.6050 59.6577 29.6825 178.5497 85 E 3.9486 8.2287 117.5622 58.8440 29.5982 178.4030 86 A 4.3162 7.8544 119.2418 53.5676 19.0475 179.2159 87 A 3.9348 8.0799 119.3948 54.9520 18.3556 178.4856 88 M 4.5301 7.5725 115.6338 55.4119 32.2768 176.9048 89 R 4.6509 7.4683 115.1791 55.6349 33.9132 175.7407 90 G 3.8036 8.2185 111.1569 44.5486 0.0000 173.9082 91 E 3.8520 9.1250 123.4366 57.1134 28.0921 174.7053 92 I 4.1661 7.3167 124.9536 59.2031 37.1038 174.2234 93 P 4.2265 0.0000 0.0000 63.7991 31.6533 178.3507 94 G 3.9634 8.7328 108.8440 45.6567 0.0000 173.0178 95 L 4.4805 7.5325 122.1909 53.4580 42.7025 175.6765 96 K 4.6366 8.1784 123.6870 54.9043 35.4051 175.8152 97 K 3.9112 8.6819 119.9862 56.8911 32.2608 176.6218 98 A 4.8956 8.2802 126.3595 50.7845 21.6199 175.2731 99 S 4.6426 8.4552 111.5671 57.7410 65.3142 175.2414 100 W 4.6639 7.7924 118.2126 57.1986 27.4282 174.2622 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 A 8.26 4.15 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 2 K 7.16 3.51 0.00 2.07 1.87 0.00 1.76 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.49 7.81 3 Q 8.28 3.79 0.00 2.21 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.69 0.00 0.00 0.00 0.00 0.00 2.43 2.54 0.00 4 S 8.04 4.02 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 5 M 7.70 4.06 0.00 2.05 2.25 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 2.63 2.70 0.00 6 K 7.92 4.05 0.00 1.82 1.98 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.50 7.81 7 A 8.25 4.17 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 8 R 7.73 3.85 0.00 1.95 2.00 0.00 3.12 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 9 E 8.57 3.96 0.00 2.02 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 2.25 2.31 0.00 10 V 7.72 3.58 2.21 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 0.94 0.00 0.00 0.98 0.00 0.00 11 K 7.95 4.06 0.00 1.86 1.92 0.00 1.77 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.54 7.81 12 R 7.66 3.87 0.00 2.00 1.90 0.00 3.14 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.87 0.00 13 V 8.51 4.20 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 1.17 0.00 0.00 0.91 0.00 0.00 14 A 8.29 4.01 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 15 L 8.88 3.98 0.00 1.72 1.86 0.96 1.27 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 16 A 7.80 4.09 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 17 D 7.88 5.05 0.00 2.85 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 18 K 8.15 3.91 0.00 1.67 1.74 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.19 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.43 1.81 7.81 19 Y 8.10 4.36 0.00 3.27 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 20 F 7.87 4.22 0.00 3.38 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 21 A 8.74 4.11 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 22 K 7.15 4.75 0.00 1.85 1.25 0.00 1.53 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.43 7.81 23 R 9.12 3.84 0.00 2.03 2.05 0.00 3.31 0.00 0.00 3.38 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.67 0.00 24 A 8.09 3.65 0.04 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 25 E 8.35 3.91 0.00 2.12 2.45 0.00 0.00 0.00 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 2.31 0.00 26 L 7.40 4.54 0.00 1.76 1.68 0.98 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.79 4.22 0.00 1.89 1.92 0.00 1.39 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.18 1.32 7.81 28 A 7.31 4.04 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 29 I 8.05 3.86 1.89 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 1.43 1.41 0.95 0.00 0.00 30 I 7.93 3.77 1.93 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 1.48 0.46 0.97 0.00 0.00 31 S 8.12 4.75 0.00 3.92 3.80 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 32 D 8.08 4.38 0.00 2.52 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 33 V 7.42 3.53 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 0.81 0.00 0.00 0.92 0.00 0.00 34 N 8.26 4.92 0.00 2.86 2.87 0.00 0.00 7.13 7.35 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 35 A 7.68 4.26 1.16 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 0.00 0.00 *40 R 8.06 3.65 0.00 1.30 1.38 0.00 2.21 0.00 0.00 2.57 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 41 W 7.64 4.43 0.00 3.59 3.38 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 0.00 0.00 0.00 0.00 42 N 8.79 4.24 0.00 2.81 2.90 0.00 0.00 6.96 7.80 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 43 A 7.76 4.14 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 44 V 7.72 3.89 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 0.97 0.00 0.00 0.94 0.00 0.00 45 L 7.79 4.43 0.00 1.58 1.59 0.93 0.50 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 46 K 7.64 4.72 0.00 1.83 1.76 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.41 7.81 47 L 7.37 4.17 0.00 1.87 1.70 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 7.63 4.39 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.06 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 49 T 7.21 4.72 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 1.28 0.00 0.00 50 L 7.14 4.34 0.00 1.57 0.90 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 3.30 0.00 2.00 2.19 0.00 2.72 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.01 0.00 52 R 7.82 4.33 0.00 1.95 2.05 0.00 3.10 0.00 0.00 3.12 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.34 0.00 53 D 7.65 4.47 0.00 2.68 2.67 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 54 S 7.38 4.34 0.00 3.83 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 55 S 7.24 3.46 0.00 2.96 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 56 P 0.00 4.20 0.00 2.25 2.33 0.00 3.34 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 57 S 7.86 4.31 0.00 3.96 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 58 R 7.56 4.19 0.00 1.68 1.94 0.00 3.23 0.00 0.00 3.31 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 59 Q 7.78 4.25 0.00 2.38 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.37 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 60 R 7.62 4.02 0.00 1.66 2.07 0.00 3.17 0.00 0.00 3.14 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.46 0.00 61 N 7.69 4.07 0.00 2.47 2.11 0.00 0.00 6.66 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 62 R 7.35 4.50 0.00 1.67 1.80 0.00 3.20 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.61 0.00 63 C 8.84 3.91 0.00 3.19 3.08 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 64 R 8.92 3.98 0.00 2.06 2.08 0.00 3.40 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 65 Q 8.15 4.25 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 66 T 7.88 4.06 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 1.23 0.00 0.00 67 G 7.86 3.40 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 0.00 68 R 7.61 3.79 0.00 1.94 1.93 0.00 3.12 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.66 0.00 69 P 0.00 4.89 0.00 2.13 2.05 0.00 3.79 0.00 0.00 3.80 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 70 H 7.69 4.87 0.00 3.19 3.20 0.00 5.72 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.99 4.32 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 0.00 72 F 7.62 4.64 0.00 2.80 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 73 L 7.10 4.55 0.00 1.68 1.57 1.03 0.88 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 74 R 8.81 3.79 0.00 1.76 1.96 0.00 3.39 0.00 0.00 3.43 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.62 0.00 75 K 7.55 3.57 0.00 1.16 0.74 0.00 1.24 0.00 0.00 1.39 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.69 0.21 7.81 76 F 7.13 4.71 0.00 2.97 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 77 G 8.50 3.85 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 0.00 0.00 0.00 78 L 7.14 5.20 0.00 1.63 1.53 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.48 5.12 0.00 3.93 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 80 R 8.26 3.79 0.00 2.08 2.18 0.00 2.81 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 1.64 1.74 0.00 81 I 8.23 3.59 1.88 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 1.64 0.65 0.91 0.00 0.00 82 K 8.06 3.92 0.00 1.77 1.86 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.46 7.81 83 V 7.80 3.41 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 0.65 0.00 0.00 0.77 0.00 0.00 84 R 8.38 3.88 0.00 1.84 2.14 0.00 3.13 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 85 E 8.23 3.95 0.00 2.09 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 2.48 2.46 0.00 86 A 7.85 4.32 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 87 A 8.08 3.93 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 88 M 7.57 4.53 0.00 2.00 2.06 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 2.58 2.84 0.00 89 R 7.47 4.65 0.00 1.66 1.85 0.00 3.16 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 1.54 1.65 0.00 90 G 8.22 3.80 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 0.00 0.00 0.00 91 E 9.12 3.85 0.00 2.23 2.05 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 2.28 2.36 0.00 92 I 7.32 4.17 1.79 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 1.34 0.39 0.93 0.00 0.00 93 P 0.00 4.23 0.00 2.20 1.99 0.00 3.75 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.11 0.00 94 G 8.73 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 0.00 0.00 0.00 95 L 7.53 4.48 0.00 1.62 1.65 0.97 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.18 4.64 0.00 1.84 1.72 0.00 1.56 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.32 1.54 7.81 97 K 8.68 3.91 0.00 1.78 1.83 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.45 7.81 98 A 8.28 4.90 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.46 4.64 0.00 3.89 3.76 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 0.00 100 W 7.79 4.66 0.00 3.39 3.14 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 * Residues marked with a * may have inaccurate shift predictions.