NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.1543 8.1127 119.7058 57.2055 31.4289 175.0556 3 V 3.2487 8.3945 118.6258 61.7639 30.1770 171.6597 4 K 4.2473 7.5401 119.5466 58.5482 34.1151 177.0372 5 M 4.1198 7.8978 116.8711 55.7411 31.7281 175.4478 6 H 5.0133 8.1445 115.3314 54.8266 32.4838 173.8801 7 V 4.0191 8.3816 115.2612 61.6083 30.5693 179.8791 8 K 4.0489 9.0153 125.1115 57.5999 33.1034 176.0312 9 K 4.4501 8.1139 119.9609 56.2174 33.7507 178.8594 10 G 3.9461 8.5968 101.2519 44.8899 0.0000 170.3469 11 D 4.6712 7.1302 118.4222 52.7230 43.6288 175.4238 12 T 4.5028 8.4824 115.6057 63.9654 69.0738 174.4458 13 V 4.6558 8.9948 126.0458 60.8131 35.9520 173.4799 14 L 4.9547 8.7927 123.9648 53.0686 44.8161 177.5348 15 V 3.8449 8.3678 126.5225 64.0635 32.0798 175.7791 16 A 5.1433 8.6220 135.0000 52.7539 21.1196 178.0154 17 S 4.4062 8.3327 116.0307 59.6854 61.9345 174.8427 18 G 4.1822 8.9809 108.4344 45.7336 0.0000 174.2344 19 K 4.0268 8.7026 125.0371 58.3596 33.2634 177.3570 20 Y 4.3771 7.7128 114.2900 57.0310 39.1148 174.2309 21 K 3.7335 8.4207 121.9863 57.1887 31.7138 173.2008 22 G 3.7471 9.5444 121.5186 45.9197 0.0000 173.1355 23 R 4.6113 8.2981 123.0355 55.5942 32.6559 175.0469 24 V 3.5838 7.3386 116.5748 61.7707 32.9437 174.9279 25 G 4.2516 9.0721 112.9265 44.8149 0.0000 172.3232 26 K 4.5999 8.9844 122.8115 56.1970 33.7365 175.3753 27 V 4.0802 7.2810 121.6459 61.6902 34.5735 175.9723 28 K 4.4040 8.5500 122.6228 55.8664 34.6994 175.3731 29 E 3.5299 7.1115 116.8793 62.6008 25.5995 174.4768 30 V 3.0884 6.6116 115.7401 59.5582 33.9926 173.4947 31 L 3.9923 8.0304 129.1591 54.9700 41.8574 174.9819 32 P 4.9170 0.0000 0.0000 62.4359 33.2349 177.4147 33 K 4.4941 7.8848 120.0603 56.1047 31.3524 176.6648 34 K 4.4183 9.1463 116.9398 55.6530 39.4605 174.7398 35 Y 3.4193 8.0204 118.8000 58.9315 36.6313 168.0918 36 A 5.0303 7.6961 120.0474 50.3515 21.5016 176.2179 37 V 3.9035 7.9576 113.0876 58.7848 31.3225 176.5295 38 I 3.5420 8.5222 123.9115 59.2232 37.8115 178.8143 39 V 3.8171 7.9648 121.3438 62.9658 30.9663 173.5389 40 E 4.7844 9.0019 111.6407 56.9068 35.3269 176.1170 41 G 3.5940 7.4472 113.3660 44.9298 0.0000 177.1880 42 V 3.3792 7.5252 132.1859 62.7291 31.3284 175.1896 43 N 5.2227 8.1889 128.6006 51.6685 38.8263 175.2332 44 I 3.7313 7.3775 118.8938 61.8258 38.3495 175.5045 45 V 4.4626 8.0641 121.6452 61.1193 34.0183 176.1617 46 K 4.5277 8.0658 127.4552 56.1394 32.3014 177.3525 47 K 4.1713 7.6059 117.3125 60.7999 33.2464 176.8657 48 A 3.8401 6.9225 122.0747 52.1451 17.2734 177.2734 49 V 4.3794 8.4551 120.9966 63.9228 39.1888 174.9750 50 R 3.9448 7.8815 116.8660 55.8103 27.4944 175.7998 51 V 3.7315 8.3461 117.2896 65.7315 32.0451 177.3011 52 S 4.4896 7.6668 113.7827 55.8258 64.7064 173.9947 53 P 4.6165 0.0000 0.0000 61.0880 30.3029 176.9147 54 K 3.5448 8.2174 119.9631 57.0560 32.6134 175.4445 55 Y 3.3258 8.9814 116.2965 59.1113 37.5395 169.8704 56 P 4.1120 0.0000 0.0000 62.6277 33.7940 173.5259 57 Q 4.8516 8.3315 135.0000 56.9430 28.3787 174.4589 58 G 4.4578 7.8384 118.2336 44.3993 0.0000 171.2217 59 G 4.3321 8.4789 113.5970 45.0548 0.0000 171.5249 60 F 4.9339 8.6338 115.9524 57.5171 39.6796 176.0647 61 I 4.5851 7.5850 116.6068 61.9357 40.0385 177.2956 62 E 3.9839 6.9627 113.9433 52.2346 31.9128 175.2810 63 K 4.6591 8.0007 126.1749 55.9276 36.7717 175.3951 64 E 4.1374 8.7695 119.9462 57.0239 30.2366 177.6688 65 A 4.1314 10.2441 127.0259 51.2686 19.2415 178.7817 66 P 3.4956 0.0000 0.0000 64.9691 33.1378 171.4870 67 L 3.8514 7.8521 127.4101 54.0391 44.0964 173.3577 68 H 4.3745 8.7860 124.4078 56.5270 30.3334 175.6987 69 A 3.8463 9.4462 130.4365 55.2099 18.2730 179.5519 70 S 4.2609 8.6047 108.8007 60.4479 62.5735 174.6114 71 K 4.2643 7.7055 117.8617 57.2448 32.2497 176.5399 72 V 4.6222 7.0777 112.2260 60.0358 34.3124 175.2841 73 R 4.8111 8.7723 119.7886 54.1802 34.7496 173.6554 74 P 4.7923 0.0000 0.0000 62.9871 32.5795 174.9371 75 I 4.2782 7.8507 116.4221 61.8183 40.8893 173.1638 76 C 4.4863 7.9910 123.1320 58.3443 33.5188 168.6237 77 P 4.5048 0.0000 0.0000 60.1329 31.6959 175.7746 78 A 4.6238 7.4323 128.8760 51.5619 21.7225 176.7114 79 C 4.8418 8.0890 113.5243 57.7905 34.5125 178.9344 80 G 3.1840 9.8981 107.7642 45.0163 0.0000 172.2179 81 K 3.8381 9.3916 131.9988 54.8164 33.0714 172.2312 82 P 4.4833 0.0000 0.0000 62.8124 32.5243 176.3961 83 T 4.1197 8.4002 119.5898 64.1677 69.7157 173.0019 84 R 4.5833 7.9220 120.8511 55.8127 34.1576 173.3764 85 V 4.9072 8.3374 121.7531 61.0215 34.3760 174.4331 86 R 4.7839 8.5010 126.9558 54.4467 32.8268 176.7672 87 K 3.9762 8.7659 124.1678 60.0587 32.9954 178.1406 88 K 4.2003 8.0535 117.4162 54.4402 30.2778 175.9771 89 F 3.8088 8.4685 118.3985 58.5506 36.1870 174.7991 90 L 4.3297 6.8460 126.7494 55.2090 43.5622 177.4094 91 E 4.5997 7.7427 127.2516 54.9252 29.0486 175.7439 92 N 4.8298 8.5115 122.3958 54.2150 41.9390 173.6926 93 G 4.3606 8.4272 109.6965 45.2928 0.0000 171.4805 94 K 5.2188 8.5243 119.1961 54.9936 33.5749 175.9183 95 K 5.0699 9.3437 121.6697 53.2476 36.5631 176.1657 96 I 4.3075 8.8903 118.2273 59.9501 38.8744 174.9170 97 R 3.7984 8.5834 118.9242 56.5048 29.3607 177.2276 98 V 3.3250 8.2280 125.6374 62.9391 29.7356 170.9034 99 C 4.6205 7.8946 116.2373 59.2077 36.4802 176.0151 100 A 3.8026 7.5192 116.3036 52.8202 18.0021 177.6562 101 K 3.9058 8.2512 120.1573 56.8546 32.2779 176.6701 *102 C 4.3630 8.3670 116.4192 57.9834 28.5244 173.1112 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 2 R 8.11 4.15 0.00 1.89 1.91 0.00 3.24 0.00 0.00 3.33 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 3 V 8.39 3.25 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 0.74 0.00 0.00 0.93 0.00 0.00 4 K 7.54 4.25 0.00 1.86 1.91 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.34 7.81 5 M 7.90 4.12 0.00 2.14 2.14 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 2.59 2.55 0.00 6 H 8.14 5.01 0.00 3.07 3.49 0.00 5.73 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.38 4.02 2.03 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 0.73 0.00 0.00 0.84 0.00 0.00 8 K 9.02 4.05 0.00 1.63 1.73 0.00 1.47 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.48 7.81 9 K 8.11 4.45 0.00 1.84 1.63 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.27 1.64 7.81 10 G 8.60 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 D 7.13 4.67 0.00 2.74 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 T 8.48 4.50 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 13 V 8.99 4.66 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 0.90 0.00 0.00 0.95 0.00 0.00 14 L 8.79 4.95 0.00 1.73 1.57 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.37 3.84 2.27 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 0.95 0.00 0.00 0.95 0.00 0.00 16 A 8.62 5.14 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 17 S 8.33 4.41 0.00 4.05 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 18 G 8.98 4.18 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 0.00 0.00 0.00 19 K 8.70 4.03 0.00 1.96 1.70 0.00 1.80 0.00 0.00 1.77 0.00 0.00 2.80 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.51 7.81 20 Y 7.71 4.38 0.00 3.09 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 21 K 8.42 3.73 0.00 1.73 1.80 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.49 7.81 22 G 9.54 3.75 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 0.00 0.00 0.00 23 R 8.30 4.61 0.00 1.97 1.91 0.00 3.33 0.00 0.00 3.44 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 24 V 7.34 3.58 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 0.77 0.00 0.00 0.94 0.00 0.00 25 G 9.07 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 0.00 0.00 0.00 0.00 26 K 8.98 4.60 0.00 1.77 1.73 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.65 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.43 7.81 27 V 7.28 4.08 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 0.90 0.00 0.00 0.95 0.00 0.00 28 K 8.55 4.40 0.00 1.91 1.83 0.00 1.61 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.24 1.49 7.81 29 E 7.11 3.53 0.00 2.11 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 2.17 2.32 0.00 30 V 6.61 3.09 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 0.79 0.00 0.00 0.93 0.00 0.00 31 L 8.03 3.99 0.00 1.89 1.51 0.96 0.94 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 32 P 0.00 4.92 0.00 2.19 2.25 0.00 3.76 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 1.97 1.89 0.00 33 K 7.88 4.49 0.00 1.75 1.85 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.47 7.81 34 K 9.15 4.42 0.00 1.71 1.79 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.36 1.35 7.81 35 Y 8.02 3.42 0.00 3.13 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.70 5.03 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 37 V 7.96 3.90 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 0.59 0.00 0.00 0.96 0.00 0.00 38 I 8.52 3.54 2.15 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.98 0.87 0.00 0.00 39 V 7.96 3.82 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 1.13 0.00 0.00 0.88 0.00 0.00 40 E 9.00 4.78 0.00 1.93 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 2.15 2.19 0.00 41 G 7.45 3.59 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 0.00 0.00 0.00 42 V 7.53 3.38 1.84 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 1.26 0.00 0.00 0.46 0.00 0.00 43 N 8.19 5.22 0.00 2.69 2.73 0.00 0.00 7.15 7.45 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 44 I 7.38 3.73 1.84 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 1.32 0.83 0.89 0.00 0.00 45 V 8.06 4.46 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 0.63 0.00 0.00 0.93 0.00 0.00 46 K 8.07 4.53 0.00 1.64 1.50 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.32 1.30 7.81 47 K 7.61 4.17 0.00 1.67 1.81 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.28 1.31 7.81 48 A 6.92 3.84 1.35 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 49 V 8.46 4.38 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 0.75 0.00 0.00 1.02 0.00 0.00 50 R 7.88 3.94 0.00 2.01 2.01 0.00 3.31 0.00 0.00 3.17 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 51 V 8.35 3.73 2.06 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 0.80 0.00 0.00 0.92 0.00 0.00 52 S 7.67 4.49 0.00 3.88 3.86 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 53 P 0.00 4.62 0.00 2.02 2.09 0.00 3.64 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 54 K 8.22 3.54 0.00 1.34 0.81 0.00 1.89 0.00 0.00 1.73 0.00 0.00 3.26 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.15 1.25 7.81 55 Y 8.98 3.33 0.00 3.11 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.11 0.00 2.24 2.37 0.00 3.81 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 57 Q 8.33 4.85 0.00 2.10 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 58 G 7.84 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.48 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 60 F 8.63 4.93 0.00 2.92 3.07 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 61 I 7.58 4.59 1.90 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 1.45 0.53 0.93 0.00 0.00 62 E 6.96 3.98 0.00 1.95 1.85 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 2.22 2.34 0.00 63 K 8.00 4.66 0.00 1.45 1.66 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.40 7.81 64 E 8.77 4.14 0.00 1.78 1.81 0.00 0.00 0.00 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 2.53 0.00 65 A 10.24 4.13 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 66 P 0.00 3.50 0.00 2.11 2.21 0.00 3.67 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 67 L 7.85 3.85 0.00 1.97 1.58 0.89 1.35 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 68 H 8.79 4.37 0.00 3.25 3.19 0.00 5.73 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 69 A 9.45 3.85 0.61 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 70 S 8.60 4.26 0.00 4.09 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 71 K 7.71 4.26 0.00 1.89 1.85 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.38 7.81 72 V 7.08 4.62 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 0.63 0.00 0.00 0.94 0.00 0.00 73 R 8.77 4.81 0.00 1.69 1.75 0.00 3.13 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 74 P 0.00 4.79 0.00 2.06 2.05 0.00 3.79 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.95 0.00 75 I 7.85 4.28 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 1.34 1.25 0.91 0.00 0.00 76 C 7.99 4.49 0.00 2.94 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 77 P 0.00 4.50 0.00 2.07 2.06 0.00 3.78 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 2.04 2.13 0.00 78 A 7.43 4.62 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 79 C 8.09 4.84 0.00 3.03 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.90 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 0.00 0.00 0.00 81 K 9.39 3.84 0.00 2.00 1.83 0.00 1.79 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.44 7.81 82 P 0.00 4.48 0.00 2.12 1.96 0.00 3.65 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 83 T 8.40 4.12 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 84 R 7.92 4.58 0.00 1.97 1.84 0.00 3.03 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 85 V 8.34 4.91 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 0.95 0.00 0.00 0.94 0.00 0.00 86 R 8.50 4.78 0.00 1.94 1.73 0.00 3.16 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 87 K 8.77 3.98 0.00 1.96 1.97 0.00 1.78 0.00 0.00 1.91 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.56 7.81 88 K 8.05 4.20 0.00 1.92 2.28 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.48 7.81 89 F 8.47 3.81 0.00 3.10 3.27 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 0.00 90 L 6.85 4.33 0.00 1.75 1.56 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.00 0.00 91 E 7.74 4.60 0.00 1.98 1.72 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 2.26 2.23 0.00 92 N 8.51 4.83 0.00 2.66 2.63 0.00 0.00 6.55 7.98 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 93 G 8.43 4.36 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 0.00 94 K 8.52 5.22 0.00 1.81 1.79 0.00 1.53 0.00 0.00 1.71 0.00 0.00 2.71 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.44 7.81 95 K 9.34 5.07 0.00 1.62 1.68 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.21 7.81 96 I 8.89 4.31 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 1.26 1.46 0.91 0.00 0.00 97 R 8.58 3.80 0.00 1.84 2.03 0.00 3.18 0.00 0.00 3.15 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 98 V 8.23 3.33 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 0.79 0.00 0.00 0.93 0.00 0.00 99 C 7.89 4.62 0.00 2.95 2.89 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 0.00 0.00 0.00 100 A 7.52 3.80 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 0.00 101 K 8.25 3.91 0.00 1.99 1.85 0.00 1.75 0.00 0.00 1.86 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.42 7.81 *102 C 8.37 4.36 0.00 2.74 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 * Residues marked with a * may have inaccurate shift predictions.