NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.6062 8.3149 122.0577 56.8311 33.6534 174.8743 4 T 4.5387 8.7184 122.5057 61.3767 73.3576 167.7292 5 V 4.2156 9.2914 127.5291 62.5388 33.2161 174.5876 6 I 4.5552 8.6971 128.8180 60.0464 39.3293 174.9134 7 T 4.8961 8.3886 122.7511 62.0752 72.2888 173.0977 8 S 4.7107 10.2299 122.7935 56.5035 63.9548 174.0065 9 D 4.7732 8.6885 125.6689 54.0778 39.6943 176.7956 10 K 4.2119 7.9060 119.0268 57.3543 33.0585 176.7919 11 A 4.4683 7.2433 119.7489 50.0572 19.6452 175.2099 12 P 4.3382 0.0000 0.0000 62.3013 31.9343 176.8958 13 A 3.9155 8.4414 124.7079 52.1764 18.8562 177.4135 14 A 4.2353 8.1920 124.5990 50.4708 18.1831 176.8668 15 I 4.1604 8.0066 123.3672 61.4923 38.5820 175.1048 16 G 3.7888 8.7454 110.8515 43.5872 0.0000 171.7616 17 P 4.6751 0.0000 0.0000 61.4287 29.9860 174.5456 18 Y 4.8533 7.1396 115.7808 57.0211 41.1314 174.0019 19 S 4.7445 8.3022 115.9743 56.4428 65.7999 174.6140 20 Q 4.2256 8.6828 121.8364 59.2253 28.8067 176.8239 21 A 4.9453 7.5093 116.1278 51.0689 23.4931 175.3149 22 I 4.9018 8.9605 120.3004 59.4189 40.9373 174.4985 23 K 4.9802 9.2569 128.7831 54.8733 34.3913 174.8756 24 A 4.7165 9.2331 129.2283 49.6774 21.3021 176.2683 25 G 3.9240 8.8938 113.7838 48.1452 0.0000 173.6374 26 N 4.6527 8.7600 122.3826 53.4210 39.1531 173.6910 27 T 4.7321 7.7950 116.9174 61.9194 70.6526 173.7594 28 V 4.7165 8.9843 127.6933 61.5976 33.3432 174.9666 29 Y 4.6899 9.0620 126.8571 56.9953 40.1132 175.0322 *31 S 4.5310 8.3982 115.7683 58.0888 64.0437 174.4803 32 G 3.8945 8.3965 110.2964 45.2958 0.0000 173.0750 33 Q 4.6470 8.5661 120.5997 53.6811 31.4450 175.3978 34 I 4.4877 7.9578 114.9760 58.4549 40.3803 173.8829 35 P 4.5986 0.0000 0.0000 62.3493 30.5994 176.7376 36 L 4.6022 7.7170 118.1431 54.2249 42.8616 176.6295 37 D 4.5571 9.0142 124.0278 53.0392 41.4997 175.2072 38 P 4.3728 0.0000 0.0000 65.5389 31.6468 177.8675 39 S 4.3511 8.1294 112.2261 60.3282 64.0620 174.8675 40 T 3.8394 7.4169 109.4008 62.6160 68.2020 174.9603 *42 E 4.2191 8.4778 116.7816 55.1980 32.2803 176.0210 43 L 4.6375 8.3858 121.9897 54.9501 42.3727 177.6203 44 V 4.0038 8.4229 116.5760 61.2798 32.6566 175.3804 45 E 4.4769 8.7551 121.5942 55.9561 31.2858 176.3004 46 G 4.0747 8.6515 110.3728 46.1515 0.0000 174.0472 47 I 3.5736 8.3980 122.1252 64.0664 37.9612 178.1666 48 E 3.9846 8.1727 118.5295 59.4566 29.3069 179.0410 49 A 4.0685 7.9909 120.2512 55.2051 18.4830 179.5827 50 Q 3.9252 8.2403 116.6138 59.0894 28.8180 178.8858 51 I 3.6069 8.0632 121.1150 64.8134 37.1549 178.5136 52 T 4.1604 8.1134 116.3927 66.9095 68.2404 176.4097 53 Q 3.9853 8.4768 121.6807 59.1039 28.9820 178.4460 54 V 3.5330 7.8696 119.2743 66.1061 31.4699 178.0826 55 F 4.3793 7.8811 117.4584 60.5631 38.5869 177.5683 56 E 3.9869 8.5099 118.4657 59.3805 29.2587 179.1612 57 N 4.3736 8.5584 116.8619 56.4646 38.6005 177.5287 58 L 4.1729 8.3135 120.5297 57.5707 41.5888 179.5712 59 K 3.6984 8.4337 119.9464 59.4537 32.0179 178.9852 60 S 4.0891 8.1771 115.4424 61.7539 62.7900 176.9396 61 V 3.6008 7.9393 120.6006 65.8817 31.2435 177.8920 62 A 4.0792 8.5170 120.9544 55.3665 18.2652 179.6804 63 Q 4.2522 8.6775 117.9066 58.5731 28.5588 178.8511 64 A 4.0501 8.1759 120.8209 54.6681 18.4733 178.6353 65 A 4.3229 7.7386 117.0201 52.2972 18.5956 178.0466 66 G 3.9150 8.2546 105.7993 45.7477 0.0000 174.2540 67 G 4.1562 7.9739 110.0233 44.7287 0.0000 171.7054 68 S 4.5433 8.4993 113.8627 57.2873 66.3648 175.4932 69 F 4.6151 8.8068 118.6175 60.5999 38.5952 178.2252 70 K 4.1403 7.6382 118.5658 59.1143 31.9867 177.5668 71 D 4.6485 8.5452 117.7800 54.8023 41.3314 176.3482 72 I 4.2537 7.5818 121.5227 61.6025 37.5876 176.1140 73 V 4.3184 8.8555 118.2246 61.6525 33.7910 175.6252 74 K 5.0525 7.6208 121.0134 54.9954 35.9883 174.1563 75 L 5.0479 8.6945 128.2019 53.4492 45.6337 174.3624 76 N 5.0778 8.8463 123.6778 51.5258 40.7007 174.2140 77 I 4.0938 8.0021 124.3082 59.4337 39.8176 174.4876 78 F 5.3627 8.7547 126.3841 55.6701 41.6081 174.5728 79 L 5.4051 8.6191 123.7452 53.0404 44.4448 178.0068 80 T 4.5891 8.6227 112.7548 63.3536 70.4762 173.9422 81 D 4.8255 7.8669 121.4173 52.4442 43.6064 175.2127 82 L 4.2596 8.5879 125.9331 55.8935 41.8326 178.5139 83 G 3.8359 9.0148 107.8898 47.0623 0.0000 174.5964 84 H 4.9356 8.1027 116.8732 55.6245 29.1470 176.1429 85 F 4.6240 8.4199 124.9504 61.2812 39.1877 176.6902 86 A 3.8206 8.1448 120.0638 55.2366 18.1497 179.4213 87 K 3.9496 8.0305 117.4808 59.4482 32.1385 179.1151 88 V 3.7604 7.6146 117.4337 66.0174 31.5741 177.3607 89 N 4.3321 7.9226 115.1346 56.2505 38.4449 176.6190 90 E 4.1040 7.9670 119.0099 59.2607 30.1850 181.4295 91 I 4.0920 7.9405 120.2708 61.1921 37.0282 178.2809 *93 G 3.9726 8.1629 110.4955 45.3879 0.0000 174.8352 94 S 4.3671 8.0067 112.6891 59.4337 63.5589 174.3394 95 Y 4.3482 7.9448 116.9623 57.8489 39.2926 175.3293 96 F 5.1005 8.2481 116.8981 55.6039 42.4896 173.8741 97 S 4.6733 8.3149 115.7719 56.1988 66.1133 173.7174 98 Q 3.5022 7.7697 119.8124 55.1919 28.8340 174.9265 99 P 4.3061 0.0000 0.0000 62.3655 32.1246 175.9751 100 Y 4.4202 8.1558 121.0201 57.0338 38.5460 173.5976 101 P 4.6809 0.0000 0.0000 62.2059 32.9353 175.5168 102 A 4.4447 8.6225 122.4956 52.2842 19.6807 176.4552 103 R 5.2625 8.1575 113.1428 56.5065 32.0513 173.7227 104 A 4.8873 8.1618 120.0876 50.4229 23.2079 174.9584 105 A 4.8583 8.1439 120.2699 50.7306 22.1305 175.8934 106 I 4.5345 8.5868 115.7997 58.9634 41.7736 174.5324 107 G 4.1564 8.5919 110.9956 45.5248 0.0000 173.6599 108 V 4.4889 8.8057 119.0312 59.5662 34.2894 177.2925 109 A 3.9188 8.6122 124.5526 55.0834 18.5642 177.5255 110 A 4.5505 7.2328 114.7698 51.5609 22.2924 174.9536 111 L 4.8340 7.8846 117.9951 51.8230 45.8681 174.8146 112 P 4.3072 0.0000 0.0000 64.5560 31.6581 177.0292 113 R 3.5668 9.4754 118.8714 57.0569 27.5660 176.8970 114 G 3.8307 8.1477 103.5849 45.8621 0.0000 174.4180 115 A 4.1284 7.6419 121.8851 52.3834 19.0654 178.6059 116 Q 4.4811 9.2742 119.4582 56.5518 30.1554 176.1413 117 V 4.9666 7.4800 116.8019 60.5073 34.2104 173.2199 118 E 5.1987 9.2188 122.6296 54.4854 34.1450 172.9172 *120 D 4.5481 8.4755 119.8216 53.7509 41.2395 173.6918 121 A 5.0371 8.1640 118.3820 51.3038 22.5032 175.5231 122 I 4.5986 8.6633 119.7059 59.3932 40.5256 174.7574 123 L 5.1305 8.7702 128.6953 53.1444 45.0813 175.0999 124 V 4.6920 8.4779 125.2756 60.7875 33.7716 175.3384 125 I 4.0118 8.5867 128.3489 61.6715 36.5311 176.1174 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 8.31 4.61 0.00 1.80 1.79 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.51 7.81 4 T 8.72 4.54 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 5 V 9.29 4.22 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 6 I 8.70 4.56 2.01 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 1.27 1.09 0.97 0.00 0.00 7 T 8.39 4.90 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 1.19 0.00 0.00 8 S 10.23 4.71 0.00 3.86 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 9 D 8.69 4.77 0.00 2.81 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 10 K 7.91 4.21 0.00 1.79 1.90 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.51 7.81 11 A 7.24 4.47 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 12 P 0.00 4.34 0.00 2.11 2.04 0.00 3.85 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 2.07 2.12 0.00 13 A 8.44 3.92 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 14 A 8.19 4.24 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 15 I 8.01 4.16 1.93 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 1.52 0.96 0.93 0.00 0.00 16 G 8.75 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 17 P 0.00 4.68 0.00 2.25 2.16 0.00 3.94 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 2.07 1.99 0.00 18 Y 7.14 4.85 0.00 3.22 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 19 S 8.30 4.74 0.00 3.89 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 20 Q 8.68 4.23 0.00 2.33 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.72 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 21 A 7.51 4.95 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 22 I 8.96 4.90 1.98 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 1.18 0.97 0.97 0.00 0.00 23 K 9.26 4.98 0.00 1.84 1.70 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.40 7.81 24 A 9.23 4.72 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 25 G 8.89 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 N 8.76 4.65 0.00 2.84 2.85 0.00 0.00 6.76 7.05 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 27 T 7.80 4.73 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 0.67 0.00 0.00 28 V 8.98 4.72 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 1.08 0.00 0.00 0.94 0.00 0.00 29 Y 9.06 4.69 0.00 2.95 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 *31 S 8.40 4.53 0.00 4.15 3.93 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 32 G 8.40 3.89 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 0.00 0.00 0.00 33 Q 8.57 4.65 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.64 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 34 I 7.96 4.49 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 1.41 0.63 0.89 0.00 0.00 35 P 0.00 4.60 0.00 2.20 2.21 0.00 3.58 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.07 0.00 36 L 7.72 4.60 0.00 1.66 1.62 0.96 1.12 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 37 D 9.01 4.56 0.00 2.75 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 P 0.00 4.37 0.00 2.09 2.13 0.00 3.74 0.00 0.00 3.91 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 39 S 8.13 4.35 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 40 T 7.42 3.84 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 1.27 0.00 0.00 *42 E 8.48 4.22 0.00 1.95 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 2.53 2.31 0.00 43 L 8.39 4.64 0.00 1.54 1.60 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 44 V 8.42 4.00 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 0.71 0.00 0.00 1.05 0.00 0.00 45 E 8.76 4.48 0.00 1.95 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 46 G 8.65 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 47 I 8.40 3.57 1.64 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 1.25 1.36 0.86 0.00 0.00 48 E 8.17 3.98 0.00 2.13 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 0.00 2.44 2.48 0.00 49 A 7.99 4.07 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 50 Q 8.24 3.93 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.74 0.00 0.00 0.00 0.00 0.00 2.44 2.62 0.00 51 I 8.06 3.61 2.10 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.85 1.08 0.00 0.00 52 T 8.11 4.16 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 53 Q 8.48 3.99 0.00 2.30 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.51 2.43 0.00 54 V 7.87 3.53 1.94 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 0.90 0.00 0.00 0.93 0.00 0.00 55 F 7.88 4.38 0.00 2.76 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 0.00 0.00 0.00 56 E 8.51 3.99 0.00 2.20 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 2.69 2.61 0.00 57 N 8.56 4.37 0.00 2.90 3.07 0.00 0.00 7.05 6.59 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 58 L 8.31 4.17 0.00 2.20 2.02 0.92 1.05 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 59 K 8.43 3.70 0.00 1.39 1.82 0.00 1.20 0.00 0.00 1.52 0.00 0.00 2.82 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.20 0.87 7.81 60 S 8.18 4.09 0.00 4.09 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 61 V 7.94 3.60 2.17 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 1.08 0.00 0.00 1.03 0.00 0.00 62 A 8.52 4.08 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.68 4.25 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 64 A 8.18 4.05 1.38 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 0.00 0.00 65 A 7.74 4.32 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 66 G 8.25 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 7.97 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 0.00 0.00 0.00 68 S 8.50 4.54 0.00 3.99 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 69 F 8.81 4.62 0.00 2.79 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.64 4.14 0.00 1.92 1.91 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.44 7.81 71 D 8.55 4.65 0.00 2.82 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 72 I 7.58 4.25 2.24 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.59 0.98 0.00 0.00 73 V 8.86 4.32 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 0.82 0.00 0.00 0.92 0.00 0.00 74 K 7.62 5.05 0.00 1.81 1.55 0.00 1.58 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.40 1.46 7.81 75 L 8.69 5.05 0.00 1.58 1.24 0.94 0.49 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 76 N 8.85 5.08 0.00 2.53 1.96 0.00 0.00 6.91 8.21 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 77 I 8.00 4.09 1.78 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.65 0.82 0.00 0.00 78 F 8.75 5.36 0.00 3.02 2.83 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 79 L 8.62 5.41 0.00 1.53 1.52 0.97 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 80 T 8.62 4.59 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 1.27 0.00 0.00 81 D 7.87 4.83 0.00 2.60 2.41 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 82 L 8.59 4.26 0.00 1.72 1.65 0.80 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 83 G 9.01 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 84 H 8.10 4.94 0.00 3.44 3.34 0.00 5.64 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.42 4.62 0.00 3.14 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 86 A 8.14 3.82 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 87 K 8.03 3.95 0.00 1.94 2.00 0.00 1.66 0.00 0.00 1.88 0.00 0.00 3.03 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.55 1.62 7.81 88 V 7.61 3.76 2.46 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 1.08 0.00 0.00 1.10 0.00 0.00 89 N 7.92 4.33 0.00 2.73 2.66 0.00 0.00 7.03 7.25 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 90 E 7.97 4.10 0.00 1.95 2.14 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 2.35 2.36 0.00 91 I 7.94 4.09 2.22 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.72 1.34 0.00 0.00 *93 G 8.16 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 0.00 0.00 0.00 94 S 8.01 4.37 0.00 3.87 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 Y 7.94 4.35 0.00 2.69 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 96 F 8.25 5.10 0.00 3.16 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 97 S 8.31 4.67 0.00 3.81 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.77 3.50 0.00 1.84 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.98 0.00 0.00 0.00 0.00 0.00 1.97 2.05 0.00 99 P 0.00 4.31 0.00 2.16 2.03 0.00 3.71 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 1.97 1.96 0.00 100 Y 8.16 4.42 0.00 3.00 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.68 0.00 1.96 2.27 0.00 3.68 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.45 0.00 102 A 8.62 4.44 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 0.00 103 R 8.16 5.26 0.00 1.86 1.74 0.00 2.57 0.00 0.00 3.78 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.40 0.00 104 A 8.16 4.89 1.14 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 0.00 105 A 8.14 4.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.59 4.53 1.88 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.93 0.90 0.00 0.00 107 G 8.59 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 0.00 0.00 0.00 108 V 8.81 4.49 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 0.77 0.00 0.00 1.00 0.00 0.00 109 A 8.61 3.92 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 0.00 110 A 7.23 4.55 1.18 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 0.00 111 L 7.88 4.83 0.00 1.87 1.48 0.99 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 4.31 0.00 2.12 1.93 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 113 R 9.48 3.57 0.00 1.95 2.01 0.00 3.27 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 1.52 1.59 0.00 114 G 8.15 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 0.00 0.00 0.00 115 A 7.64 4.13 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 0.00 116 Q 9.27 4.48 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.65 0.00 0.00 0.00 0.00 0.00 2.37 2.15 0.00 117 V 7.48 4.97 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 0.59 0.00 0.00 0.86 0.00 0.00 118 E 9.22 5.20 0.00 2.07 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 2.35 2.28 0.00 *120 D 8.48 4.55 0.00 2.95 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 0.00 121 A 8.16 5.04 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 0.00 122 I 8.66 4.60 1.79 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.66 0.60 0.00 0.00 123 L 8.77 5.13 0.00 1.70 1.46 1.01 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 124 V 8.48 4.69 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 0.83 0.00 0.00 0.87 0.00 0.00 125 I 8.59 4.01 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.93 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.