NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.4180 8.3344 116.8112 57.6968 65.1505 172.9773 1 L 3.7357 7.0355 124.5756 53.9413 42.6935 174.2481 2 K 4.8361 8.9809 125.8146 54.5420 36.0021 175.3477 3 F 4.6653 8.7697 121.0278 55.9987 39.1105 175.4559 4 E 4.3613 8.7176 123.5564 56.0679 30.6536 176.1553 5 N 4.4771 8.6238 114.7826 54.7391 36.0300 176.0786 6 T 3.9958 7.4095 109.7706 62.7631 69.3744 175.8427 7 G 3.9857 8.2690 110.1582 45.1652 0.0000 175.1083 8 L 3.9520 7.7340 119.7676 57.6775 41.7153 178.5762 9 E 4.5350 7.9925 114.6150 56.9778 29.5493 176.7251 10 N 4.7940 7.7153 116.1218 53.1950 39.4343 174.7306 11 Q 4.5640 7.4979 115.2727 54.5948 31.8053 174.0835 12 T 4.8825 8.1399 109.3465 60.5097 71.5591 173.8361 13 V 4.5421 8.2176 120.6799 60.0355 35.3695 173.4425 14 E 4.3989 8.8138 124.1081 56.2455 30.4888 177.2276 15 L 3.9767 9.0010 129.0725 58.3879 42.3259 179.5483 16 S 4.1928 7.6418 113.8629 61.7350 62.7041 176.8064 17 R 3.9561 7.9084 121.1168 58.5340 29.8071 178.5993 18 L 3.7636 7.9132 120.2310 58.1811 42.1381 178.4655 19 D 4.4069 8.5732 119.1458 57.7101 40.7103 178.8077 20 D 4.3247 7.9075 118.4924 57.4191 40.9528 178.9301 21 I 3.6288 7.4073 119.8395 64.6437 37.0272 178.4065 22 M 3.8046 7.9028 119.5926 58.3461 31.5728 178.4505 23 E 4.2292 8.0713 120.7492 58.7985 29.5505 178.8415 24 R 3.9582 7.7006 117.7141 58.7737 30.1428 177.4487 25 L 4.6338 7.5549 116.0707 54.3013 41.9239 177.3352 26 G 3.8314 7.8897 106.7639 45.2682 0.0000 173.7645 27 F 4.8226 8.5914 118.8168 56.5113 40.8286 175.3607 28 V 4.7826 8.6647 115.0621 59.2404 35.1164 175.5254 29 R 4.4070 8.6521 121.5641 56.6349 30.6540 175.6258 30 A 4.5027 8.4391 123.5982 49.2850 23.1441 175.1898 31 A 2.0000 7.6855 118.4682 52.7801 15.8001 178.1798 32 Q 4.0968 7.1004 117.1224 56.6616 29.4908 178.0457 33 W 4.3312 7.2050 115.7515 58.7709 28.6688 176.1684 34 D 4.4346 7.0952 119.6742 54.0808 40.6954 175.2897 35 Y 4.5439 8.1542 123.9639 57.5754 39.2773 176.0686 36 E 4.2821 8.1367 120.6229 57.5290 30.3340 176.0701 37 R 5.1159 7.7572 115.4927 54.3032 33.6012 175.5843 38 V 4.2543 8.7745 115.5130 60.0252 34.3024 175.1488 39 T 4.9248 7.6947 119.6979 61.9406 72.7720 172.3376 40 Y 5.2673 9.3087 122.8550 56.3525 41.9245 174.0758 41 D 5.7066 9.6067 123.8581 52.5354 44.5527 174.9251 42 R 4.4913 8.9073 123.2172 54.3818 32.2674 174.5330 43 K 4.9652 8.4559 125.9240 55.7054 33.8793 176.2153 44 Y 4.5627 9.7528 122.8298 56.2365 39.9510 174.8874 45 V 4.4993 8.3453 117.4887 61.0248 32.9756 176.0781 46 V 4.6053 9.0564 117.0732 59.3981 35.9921 176.0942 47 K 3.9073 8.9837 121.2042 59.8725 31.9150 177.5014 48 E 4.3828 8.4554 115.1029 56.5326 31.5250 176.7139 49 G 4.8755 5.9794 109.2828 45.8551 0.0000 174.0369 50 T 5.1292 8.9827 123.6809 61.8289 71.9848 171.6285 51 Y 5.1552 9.2312 124.6984 56.8371 40.5376 174.3383 52 Y 5.4340 8.5253 120.5247 55.3034 41.6583 173.8948 53 L 4.8809 9.5017 127.0320 54.3887 43.6528 175.0062 54 R 5.3855 9.5306 128.1724 54.7748 32.4428 174.5306 55 V 4.8377 9.0712 126.9231 61.2190 34.1149 174.1163 56 Q 5.0779 8.6594 127.4572 54.6735 33.0685 173.5697 57 G 4.4994 9.1463 110.7790 45.0465 0.0000 171.1499 58 Y 5.2322 7.9531 119.1992 54.9755 41.1265 175.1906 59 A 4.7355 8.3602 122.9948 51.5837 17.7012 177.2127 60 I 4.1673 8.6281 123.0701 64.1417 38.9310 175.9519 61 E 4.5655 7.6738 119.9465 55.5610 33.8949 177.4712 62 G 3.5443 8.8480 110.7392 45.1940 0.0000 172.0760 63 N 5.0717 8.0350 114.9335 50.7032 40.6825 175.1862 64 V 3.5250 8.5395 118.3788 66.2292 31.4327 176.4480 65 D 4.6323 8.0158 116.1010 54.4910 41.0700 175.7224 66 S 4.7703 7.7045 114.4101 56.1988 64.0424 173.9731 67 R 3.9031 8.6632 126.5700 59.4960 30.0207 175.5070 68 Y 4.8591 7.9106 120.5651 56.6510 39.0839 174.1302 69 A 4.2275 7.9945 127.6734 49.9372 23.4452 173.8751 70 L 4.6545 8.3564 123.5094 53.7627 44.0757 175.1874 71 I 4.7605 8.9352 127.6599 59.4298 39.7752 174.3715 72 K 4.4648 8.0878 128.9510 54.5199 33.6376 175.4749 73 L 4.5418 8.2693 127.7739 54.7831 43.1415 176.7550 74 L 4.9678 8.6341 123.1801 53.2161 44.3162 176.1608 75 T 4.1880 8.3213 116.8767 63.2743 68.7441 173.4558 76 P 4.8495 0.0000 0.0000 62.6774 32.9382 175.3436 77 I 5.1425 8.8294 115.5018 59.3746 41.7478 173.7736 78 M 5.0868 8.9901 123.3084 53.9669 34.2675 175.3593 79 G 3.6931 8.1931 113.9254 44.9059 0.0000 171.8427 80 K 4.7974 8.2306 120.5812 54.5791 35.3039 174.7094 81 H 4.8568 9.1525 127.1577 54.4581 32.7197 171.7750 82 Y 4.7689 8.5240 124.1949 57.8814 38.6889 174.6900 83 Y 4.8695 9.0870 125.6520 55.9696 43.0309 172.0885 84 P 3.8268 0.0000 0.0000 61.8904 30.6974 171.8823 85 H 3.4342 8.5646 127.3549 55.9072 30.3758 173.5365 *92 D 4.3385 8.4890 123.9495 53.8930 41.1436 174.4404 93 E 4.1596 8.6429 126.4972 56.3112 30.2522 176.2069 94 H 4.7058 8.6103 120.1395 54.2888 30.0181 174.3492 95 F 4.7502 8.5881 123.7428 54.8778 40.7281 174.5164 96 P 4.3876 0.0000 0.0000 62.6614 32.6225 177.6695 97 S 4.1407 8.7366 117.7578 61.4372 62.9466 176.7740 98 S 4.0692 7.9467 117.4163 61.2456 62.7883 176.1736 99 L 3.6726 7.6394 123.5479 57.3817 41.8182 178.7402 100 V 3.6786 7.5991 118.2784 66.2193 31.4341 178.2617 101 S 4.2759 8.1074 114.7276 61.6829 62.6602 176.6501 102 Q 3.9619 7.9549 120.7394 59.2363 28.4577 178.7969 103 C 4.0286 7.9609 117.6434 62.7132 28.1048 176.0319 104 Q 3.8277 8.0443 119.7100 59.0471 28.1713 178.8559 105 N 4.3135 8.0240 117.4284 56.2595 38.5360 177.7147 106 V 3.9127 7.6954 121.0141 65.5228 31.5544 178.1232 107 L 3.9409 8.0098 118.5673 57.6001 41.3563 179.2469 108 A 3.9685 7.9633 121.0524 55.1571 17.7890 179.5639 109 Q 3.9837 8.0011 115.6877 58.7114 28.8662 178.6526 110 V 3.4989 7.8408 120.6821 65.8473 31.5766 177.7941 111 K 3.8348 8.2123 119.5020 59.5718 31.6404 178.5769 112 S 4.0735 8.1882 113.3742 61.5526 62.0875 176.0478 113 E 3.9768 8.0195 120.1121 59.3311 29.1673 179.0408 114 L 4.1183 7.9310 119.1582 57.6419 41.4586 179.2898 115 E 3.9896 8.1289 117.8216 59.0645 29.4201 179.0999 116 K 4.2317 7.6997 117.3083 57.8316 32.5244 177.6153 117 I 4.4588 7.1837 110.8803 60.0752 38.2371 177.2306 118 K 3.9214 8.1398 123.3252 59.6582 32.0709 177.2471 119 E 4.3261 8.0488 115.1170 56.6959 30.0576 176.0540 120 E 4.2723 7.7641 123.6188 56.3649 29.8311 175.6512 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 0 S 8.33 4.42 0.00 4.15 4.05 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 1 L 7.04 3.74 0.00 0.27 0.60 0.50 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 2 K 8.98 4.84 0.00 1.51 1.60 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.27 1.33 7.81 3 F 8.77 4.67 0.00 2.87 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 4 E 8.72 4.36 0.00 1.99 1.86 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 2.33 2.24 0.00 5 N 8.62 4.48 0.00 2.88 2.90 0.00 0.00 6.98 7.54 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 6 T 7.41 4.00 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 1.29 0.00 0.00 7 G 8.27 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 7.73 3.95 0.00 1.72 1.68 0.86 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 9 E 7.99 4.54 0.00 1.94 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 0.00 2.33 2.35 0.00 10 N 7.72 4.79 0.00 2.77 2.84 0.00 0.00 6.69 7.54 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 11 Q 7.50 4.56 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.73 0.00 0.00 0.00 0.00 0.00 2.21 2.40 0.00 12 T 8.14 4.88 4.19 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 13 V 8.22 4.54 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 0.60 0.00 0.00 0.89 0.00 0.00 14 E 8.81 4.40 0.00 2.18 1.91 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 2.48 2.53 0.00 15 L 9.00 3.98 0.00 1.83 1.62 0.98 1.19 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 16 S 7.64 4.19 0.00 3.93 4.15 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.91 3.96 0.00 2.01 1.99 0.00 3.13 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 18 L 7.91 3.76 0.00 1.69 1.80 0.65 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.57 4.41 0.00 2.94 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 20 D 7.91 4.32 0.00 2.84 2.69 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 0.00 0.00 0.00 0.00 21 I 7.41 3.63 1.86 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.96 0.78 0.00 0.00 22 M 7.90 3.80 0.00 1.56 1.62 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.00 0.00 23 E 8.07 4.23 0.00 2.20 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 2.22 0.00 24 R 7.70 3.96 0.00 2.09 1.99 0.00 3.29 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 25 L 7.55 4.63 0.00 1.94 1.84 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 26 G 7.89 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 27 F 8.59 4.82 0.00 2.97 3.10 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 28 V 8.66 4.78 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 0.75 0.00 0.00 1.00 0.00 0.00 29 R 8.65 4.41 0.00 1.64 1.71 0.00 2.95 0.00 0.00 2.45 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.51 0.00 30 A 8.44 4.50 1.03 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 0.00 0.00 31 A 7.69 2.00 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.10 4.10 0.00 1.97 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.07 0.00 0.00 0.00 0.00 0.00 2.16 2.24 0.00 33 W 7.21 4.33 0.00 3.39 3.37 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 34 D 7.10 4.43 0.00 2.32 2.36 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 35 Y 8.15 4.54 0.00 3.07 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 36 E 8.14 4.28 0.00 1.99 1.93 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 2.10 1.67 0.00 37 R 7.76 5.12 0.00 1.55 1.74 0.00 3.15 0.00 0.00 3.35 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 38 V 8.77 4.25 1.76 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 0.64 0.00 0.00 1.02 0.00 0.00 39 T 7.69 4.92 4.09 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 1.15 0.00 0.00 40 Y 9.31 5.27 0.00 2.68 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 41 D 9.61 5.71 0.00 2.57 2.61 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 42 R 8.91 4.49 0.00 0.67 1.19 0.00 2.69 0.00 0.00 2.74 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.25 0.00 43 K 8.46 4.97 0.00 1.63 1.75 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.48 7.81 44 Y 9.75 4.56 0.00 2.94 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 45 V 8.35 4.50 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 0.74 0.00 0.00 0.98 0.00 0.00 46 V 9.06 4.61 2.35 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 0.91 0.00 0.00 1.24 0.00 0.00 47 K 8.98 3.91 0.00 1.74 1.90 0.00 1.78 0.00 0.00 1.78 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.48 7.81 48 E 8.46 4.38 0.00 2.26 2.26 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 2.39 2.31 0.00 49 G 5.98 4.88 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 0.00 0.00 0.00 50 T 8.98 5.13 4.37 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 1.38 0.00 0.00 51 Y 9.23 5.16 0.00 3.03 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 52 Y 8.53 5.43 0.00 3.14 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 53 L 9.50 4.88 0.00 1.95 1.74 0.84 0.70 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 54 R 9.53 5.39 0.00 2.29 1.97 0.00 3.31 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 55 V 9.07 4.84 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 0.74 0.00 0.00 0.87 0.00 0.00 56 Q 8.66 5.08 0.00 2.15 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.55 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 57 G 9.15 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 0.00 0.00 0.00 0.00 58 Y 7.95 5.23 0.00 3.05 3.04 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 59 A 8.36 4.74 1.27 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 0.00 0.00 60 I 8.63 4.17 2.03 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.05 0.94 0.00 0.00 61 E 7.67 4.57 0.00 1.86 1.65 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 2.35 2.33 0.00 62 G 8.85 3.54 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 0.00 0.00 0.00 63 N 8.04 5.07 0.00 2.84 2.88 0.00 0.00 5.60 7.68 0.00 0.00 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 V 8.54 3.53 2.23 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 0.78 0.00 0.00 1.01 0.00 0.00 65 D 8.02 4.63 0.00 2.71 2.69 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 0.00 0.00 0.00 0.00 66 S 7.70 4.77 0.00 3.96 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 67 R 8.66 3.90 0.00 1.92 1.97 0.00 3.25 0.00 0.00 3.31 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.65 0.00 68 Y 7.91 4.86 0.00 2.97 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 69 A 7.99 4.23 1.11 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 70 L 8.36 4.65 0.00 1.62 1.45 0.98 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.94 4.76 1.87 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 1.05 1.01 0.87 0.00 0.00 72 K 8.09 4.46 0.00 1.42 0.74 0.00 1.42 0.00 0.00 1.39 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.19 1.45 7.81 73 L 8.27 4.54 0.00 1.73 1.50 0.82 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.63 4.97 0.00 1.51 1.67 1.03 1.06 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 75 T 8.32 4.19 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 1.35 0.00 0.00 76 P 0.00 4.85 0.00 2.22 2.03 0.00 3.83 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 77 I 8.83 5.14 1.96 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.17 0.95 0.00 0.00 78 M 8.99 5.09 0.00 1.80 2.16 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.57 0.00 79 G 8.19 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 K 8.23 4.80 0.00 1.69 1.46 0.00 1.09 0.00 0.00 0.99 0.00 0.00 2.13 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.36 0.29 7.81 81 H 9.15 4.86 0.00 3.37 3.20 0.00 5.83 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 8.52 4.77 0.00 2.78 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 83 Y 9.09 4.87 0.00 3.03 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 84 P 0.00 3.83 0.00 1.90 1.35 0.00 3.54 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.47 0.00 85 H 8.56 3.43 0.00 3.24 3.25 0.00 5.76 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *92 D 8.49 4.34 0.00 2.70 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 93 E 8.64 4.16 0.00 1.88 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 2.32 2.36 0.00 94 H 8.61 4.71 0.00 3.10 3.25 0.00 5.68 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 F 8.59 4.75 0.00 2.99 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 96 P 0.00 4.39 0.00 2.13 2.12 0.00 3.51 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 97 S 8.74 4.14 0.00 4.06 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 98 S 7.95 4.07 0.00 4.02 4.13 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 0.00 0.00 0.00 0.00 99 L 7.64 3.67 0.00 1.39 1.30 0.58 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 100 V 7.60 3.68 2.24 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 1.02 0.00 0.00 0.95 0.00 0.00 101 S 8.11 4.28 0.00 4.03 3.87 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 0.00 102 Q 7.95 3.96 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 103 C 7.96 4.03 0.00 2.86 2.32 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 0.00 104 Q 8.04 3.83 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.48 2.63 0.00 105 N 8.02 4.31 0.00 2.90 2.85 0.00 0.00 6.66 7.82 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 0.00 106 V 7.70 3.91 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 1.45 0.00 0.00 1.03 0.00 0.00 107 L 8.01 3.94 0.00 1.73 1.62 0.35 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 108 A 7.96 3.97 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 0.00 109 Q 8.00 3.98 0.00 2.26 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.74 0.00 0.00 0.00 0.00 0.00 2.47 2.38 0.00 110 V 7.84 3.50 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 0.81 0.00 0.00 0.90 0.00 0.00 111 K 8.21 3.83 0.00 1.85 1.93 0.00 1.55 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.47 7.81 112 S 8.19 4.07 0.00 3.98 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 0.00 113 E 8.02 3.98 0.00 2.09 1.95 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 2.53 2.46 0.00 114 L 7.93 4.12 0.00 1.81 1.66 0.83 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 115 E 8.13 3.99 0.00 2.09 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 0.00 2.47 2.48 0.00 116 K 7.70 4.23 0.00 1.89 1.85 0.00 1.62 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.59 7.81 117 I 7.18 4.46 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.85 0.89 0.00 0.00 118 K 8.14 3.92 0.00 1.86 1.87 0.00 1.88 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.45 7.81 119 E 8.05 4.33 0.00 1.99 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 2.26 0.00 120 E 7.76 4.27 0.00 1.95 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 2.23 2.20 0.00 * Residues marked with a * may have inaccurate shift predictions.