NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *0 H 4.6048 8.4444 117.3743 54.3947 29.5999 171.4995 1 M 3.9387 8.6591 117.1918 57.2513 32.2946 174.3703 2 S 4.8021 8.4956 125.8959 57.6916 64.7313 170.5951 3 T 4.6444 8.2737 113.7124 60.5983 69.8700 173.6661 4 T 4.5180 8.1306 111.4830 59.7879 70.9557 173.4984 5 L 4.5296 8.0886 122.5930 52.7626 43.9496 175.6499 6 A 4.2325 8.5642 128.9894 51.9933 19.4307 175.6336 7 I 4.8337 8.3544 122.4921 59.0950 41.5424 174.4543 8 V 4.2229 8.6391 129.1489 61.2886 33.4924 175.1194 9 R 4.4192 8.6602 128.0482 55.2213 28.0542 175.9118 10 L 4.0135 8.4982 123.6478 56.8084 42.9499 176.2946 11 D 4.7119 8.0160 119.0439 51.5454 40.9282 174.2319 12 P 4.4964 0.0000 0.0000 63.5250 30.9629 177.4673 13 G 3.8632 8.6025 108.0791 45.9032 0.0000 174.1568 14 L 4.4198 7.2920 119.0062 52.1918 43.4867 174.3784 15 P 4.3519 0.0000 0.0000 62.0551 32.0578 175.5163 16 L 4.4615 8.0397 121.2292 53.3507 42.8596 174.3835 17 P 4.8051 0.0000 0.0000 63.4519 32.1674 175.2534 18 S 4.5839 8.4271 115.5231 57.4340 67.1443 172.8332 19 R 4.4494 8.4740 120.6524 54.8403 29.3050 175.4959 20 A 4.0627 8.6677 129.7463 54.9769 18.7827 177.0637 21 H 5.0481 7.9324 110.9895 53.6162 32.5342 174.5730 22 D 4.3716 9.0958 121.5486 57.7598 40.5549 178.5966 23 G 3.8149 7.9284 103.6464 45.7033 0.0000 173.2826 24 D 4.2960 7.6991 120.1905 54.5711 41.1984 176.0236 25 A 4.1261 9.0270 128.0306 54.8849 18.4725 176.3626 26 G 4.3522 7.6367 99.5525 44.7808 0.0000 171.8559 27 V 4.8451 8.0265 111.4305 58.2584 35.4575 175.3776 28 D 4.8316 8.6659 124.2002 54.2949 41.6448 175.5853 29 L 4.5719 9.2185 123.8217 53.5054 44.2108 175.8357 30 Y 5.0355 8.4200 120.0239 57.1300 41.0073 174.0297 31 S 5.1889 8.8843 115.8682 57.1434 63.3854 174.6653 32 A 4.6038 9.2052 129.9886 53.5213 18.7713 176.4750 33 E 4.7939 7.8829 112.3476 54.4789 33.0961 175.1426 34 D 5.0630 8.5586 119.9057 53.2108 42.0892 176.3758 35 V 4.5800 9.0329 122.8136 61.2439 35.8480 173.1946 36 E 5.0579 8.6851 125.2893 54.4468 32.4092 174.5888 37 L 4.6432 9.0675 127.6385 52.9252 43.3894 176.3158 38 A 4.5235 8.4930 126.0155 50.5380 20.0681 174.6244 39 P 4.2270 0.0000 0.0000 64.3999 31.6936 178.0634 40 G 4.0061 8.9818 109.9333 46.0564 0.0000 174.1432 41 R 4.4840 7.8061 119.3466 55.7376 31.6649 175.6177 42 R 5.3104 8.1932 116.6769 54.8642 33.2180 173.9312 43 A 4.5209 9.1680 118.7909 50.9842 23.1914 175.4385 44 L 4.8337 8.5446 122.8675 53.9097 42.9673 175.6387 45 V 4.6014 8.7287 127.7073 61.2089 33.8085 175.2342 46 R 4.6654 9.4533 127.3129 56.4804 31.0398 177.0983 47 T 4.9837 8.0083 111.3268 59.7643 70.1075 175.2379 48 G 3.9879 8.9879 110.9014 46.2836 0.0000 173.2933 49 V 5.0464 7.3834 110.2907 59.6855 36.4568 173.5474 50 A 5.1684 8.7697 123.1312 50.5374 22.7332 175.4278 51 V 5.0159 8.3983 111.5396 59.8172 36.3636 175.8886 52 A 4.6767 8.1996 123.2294 49.6179 18.5256 174.6149 53 V 3.6253 7.9473 119.7734 61.6599 32.6530 174.1308 54 P 4.4515 0.0000 0.0000 62.1760 31.9230 175.5637 55 F 4.3010 8.6617 123.3180 60.0640 39.8589 175.7034 56 G 3.6872 8.2055 115.0637 45.3181 0.0000 172.4009 57 M 5.1501 7.5284 117.9446 53.3933 35.7441 174.7960 58 V 4.5604 8.8771 119.0444 60.0620 35.6973 174.3592 59 G 4.5067 8.7402 108.8550 44.5248 0.0000 172.3149 60 L 5.2882 9.1543 124.5021 52.7642 45.4497 175.7673 61 V 4.6349 8.7856 123.9564 62.0102 32.8678 174.3647 62 H 5.2776 8.9466 125.6525 53.5452 31.6951 173.0171 63 P 4.8209 0.0000 0.0000 62.2737 33.0589 176.0016 64 R 4.4641 8.2642 120.1033 54.7187 31.3796 177.4529 65 S 4.2163 9.0555 119.3374 62.3125 62.6335 176.0668 66 G 3.7722 8.3397 107.7415 48.4546 0.0000 175.0144 67 L 3.9644 7.8930 120.4044 56.6419 41.9640 179.6863 68 A 4.3487 7.6333 121.8419 54.9288 18.1167 179.8476 69 T 3.8246 7.7528 112.7465 66.8240 68.7527 177.0123 70 R 4.1349 7.9528 118.6027 58.8007 30.3086 178.1401 71 V 4.2712 7.6033 107.0307 60.2749 33.2237 176.0665 72 G 3.8119 8.1865 108.1353 46.0973 0.0000 172.8206 73 L 4.5556 7.7654 121.9792 54.6743 43.5787 175.6180 74 S 4.9003 8.9423 119.7940 56.8385 67.1353 171.9235 75 I 4.8515 7.9734 120.0212 59.6130 39.5587 176.6724 76 V 3.4977 8.2825 128.1406 65.8881 31.2906 176.9064 77 N 4.8298 7.8740 113.4111 52.3635 37.5093 174.6405 78 S 4.1990 8.0137 114.1600 58.5638 62.8568 171.5435 79 P 4.7597 0.0000 0.0000 61.4440 32.4487 175.9299 80 G 3.7324 8.6252 111.7039 46.9676 0.0000 172.0789 81 T 4.8962 8.4223 120.9464 61.9286 70.4538 174.1473 82 I 4.2087 8.8481 128.6215 59.4336 38.7499 175.5023 83 D 4.7608 8.5221 127.2484 53.6771 41.4917 177.7538 84 A 4.3561 8.1464 124.3082 54.4951 18.4561 178.9953 85 G 3.9160 8.0060 102.1311 46.2350 0.0000 173.3115 86 Y 4.2954 7.9721 123.1215 57.7868 39.1931 175.8356 87 R 4.4588 7.8492 123.6167 55.5691 31.6382 175.6130 88 G 3.5116 5.3800 107.1955 43.0970 0.0000 173.1017 89 E 4.3598 8.3195 119.7991 55.8580 30.5567 176.0266 90 I 4.2991 8.8901 126.8565 61.1995 38.3712 175.1784 91 K 5.0758 8.6391 124.7068 54.5490 36.1600 175.5404 92 V 4.2877 8.7977 122.9601 61.1803 34.4402 174.9646 93 A 4.4682 8.5177 130.4848 50.9957 17.8266 175.2401 94 L 4.5984 8.7760 121.3379 54.4539 43.6218 175.8456 95 I 4.9016 8.5536 122.4199 59.2973 41.9306 173.6051 96 N 4.9243 9.1245 128.6570 52.7140 39.2126 174.6382 97 L 4.4659 8.6292 126.0981 54.9612 42.2149 176.9960 98 D 4.6017 8.5945 119.8497 53.5548 41.4719 174.7631 99 P 4.4696 0.0000 0.0000 64.3773 31.9623 177.2650 100 A 4.4149 8.7303 117.3023 52.6459 22.0031 176.1254 101 A 4.2716 8.1567 118.7752 50.7014 19.1026 175.3273 102 P 4.6734 0.0000 0.0000 62.9937 32.8845 175.8062 103 I 4.4791 8.6455 120.9303 59.6853 40.3871 175.0159 104 V 4.5701 8.4852 127.5458 61.3609 32.7743 174.7660 105 V 4.2671 9.1696 130.0028 61.7899 33.3261 174.1429 106 H 5.5701 9.2215 125.0561 53.5506 31.5565 174.2246 107 R 4.2263 8.7900 122.8759 58.3603 30.1689 176.8066 108 G 4.0543 9.3997 113.9458 45.1007 0.0000 173.3009 109 D 4.8116 8.3199 120.0064 53.8995 42.7005 175.9464 110 R 4.5469 8.5378 120.6570 55.7026 30.1630 176.2995 111 I 4.3545 8.3632 117.8876 60.9989 39.1417 174.9069 112 A 4.5387 7.2382 123.3513 51.5444 22.5392 174.5969 113 Q 4.8240 8.5396 116.5045 54.3591 32.4008 174.1934 114 L 5.0683 9.0655 123.5150 53.5268 44.3356 175.3376 115 L 5.0179 8.9138 126.1405 53.0236 45.1891 175.5066 116 V 4.8083 8.1223 119.4455 61.5261 34.3582 174.3924 117 Q 4.7473 8.8517 125.2462 53.9952 33.4645 174.7628 118 R 4.7336 8.4649 119.2975 56.0479 31.5089 176.7793 119 V 4.4143 8.5797 120.3906 59.9609 34.3611 174.8849 120 E 3.9493 8.9151 124.9898 56.7197 29.8186 178.0122 121 L 4.3521 8.0716 127.8523 52.9016 40.3497 177.0569 122 V 3.6978 7.4273 113.1675 61.3971 32.6389 175.6208 123 E 4.5612 8.4172 123.1976 54.1380 30.8214 175.6164 124 L 4.1200 8.4695 126.9206 54.5863 42.2729 177.0112 125 V 4.2038 8.0136 122.8559 60.3349 32.0473 174.1160 126 E 4.0802 8.5324 127.1278 56.0080 30.2268 176.4800 127 V 4.5716 7.8085 117.7389 59.1312 35.5979 175.9427 128 S 4.2068 8.7484 117.4441 61.1603 63.2220 175.0895 129 S 4.3102 7.2712 113.1943 55.7286 66.0199 175.8876 130 F 4.3901 8.0968 121.9056 60.7335 38.7502 177.3370 131 D 4.4082 8.1940 117.1193 57.6905 40.9428 178.1905 132 E 4.0268 8.1966 117.0601 58.7186 29.5102 178.2992 133 A 4.4622 7.9384 118.6421 51.4060 19.3772 177.1186 134 G 3.8005 8.1384 105.1177 46.9951 0.0000 174.3684 135 L 4.6369 9.4126 116.1394 53.8312 42.5035 176.9322 136 A 4.2061 8.2601 127.5167 52.7723 18.2156 178.1912 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 H 8.44 4.60 0.00 2.95 2.98 0.00 7.18 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 8.66 3.94 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.59 0.00 2 S 8.50 4.80 0.00 3.85 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.27 4.64 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 4 T 8.13 4.52 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 5 L 8.09 4.53 0.00 1.56 1.58 0.98 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 6 A 8.56 4.23 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 7 I 8.35 4.83 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.23 0.93 0.00 0.00 8 V 8.64 4.22 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 0.91 0.00 0.00 0.92 0.00 0.00 9 R 8.66 4.42 0.00 1.74 1.89 0.00 3.32 0.00 0.00 3.36 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 10 L 8.50 4.01 0.00 1.54 1.76 0.92 1.03 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 11 D 8.02 4.71 0.00 2.62 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 4.50 0.00 2.20 2.13 0.00 3.79 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 1.97 1.95 0.00 13 G 8.60 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 0.00 0.00 0.00 14 L 7.29 4.42 0.00 1.61 1.40 0.98 1.04 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 15 P 0.00 4.35 0.00 1.51 1.84 0.00 2.40 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.79 0.00 16 L 8.04 4.46 0.00 1.59 1.58 0.95 0.94 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 17 P 0.00 4.81 0.00 2.02 2.19 0.00 3.79 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 2.10 2.28 0.00 18 S 8.43 4.58 0.00 3.86 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 19 R 8.47 4.45 0.00 1.84 1.91 0.00 3.28 0.00 0.00 3.38 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.80 0.00 20 A 8.67 4.06 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 21 H 7.93 5.05 0.00 3.46 3.18 0.00 5.84 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 D 9.10 4.37 0.00 2.68 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 23 G 7.93 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.70 4.30 0.00 2.93 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 25 A 9.03 4.13 1.28 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 0.00 0.00 0.00 26 G 7.64 4.35 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 0.00 27 V 8.03 4.85 2.25 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 0.93 0.00 0.00 0.92 0.00 0.00 28 D 8.67 4.83 0.00 2.31 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 29 L 9.22 4.57 0.00 1.43 1.54 0.92 0.75 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 30 Y 8.42 5.04 0.00 3.00 2.95 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 31 S 8.88 5.19 0.00 3.93 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 32 A 9.21 4.60 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 33 E 7.88 4.79 0.00 1.92 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 2.21 2.27 0.00 34 D 8.56 5.06 0.00 2.61 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 35 V 9.03 4.58 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 0.92 0.00 0.00 0.94 0.00 0.00 36 E 8.69 5.06 0.00 1.96 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.43 0.00 37 L 9.07 4.64 0.00 1.57 1.58 0.97 0.63 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 38 A 8.49 4.52 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 39 P 0.00 4.23 0.00 2.04 2.18 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 2.11 2.09 0.00 40 G 8.98 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 R 7.81 4.48 0.00 1.97 1.85 0.00 3.23 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 42 R 8.19 5.31 0.00 1.86 1.87 0.00 3.07 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.59 0.00 43 A 9.17 4.52 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.54 4.83 0.00 1.65 1.62 0.92 0.90 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 45 V 8.73 4.60 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 1.00 0.00 0.00 0.94 0.00 0.00 46 R 9.45 4.67 0.00 1.80 2.05 0.00 3.33 0.00 0.00 3.24 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 47 T 8.01 4.98 4.29 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 1.27 0.00 0.00 48 G 8.99 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 49 V 7.38 5.05 2.12 0.00 0.00 0.00 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 0.98 0.00 0.00 50 A 8.77 5.17 1.19 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 0.00 0.00 0.00 51 V 8.40 5.02 2.12 0.00 0.00 0.00 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 1.01 0.00 0.00 52 A 8.20 4.68 1.19 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 0.00 0.00 0.00 53 V 7.95 3.63 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 1.02 0.00 0.00 0.97 0.00 0.00 54 P 0.00 4.45 0.00 2.25 2.01 0.00 3.68 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 55 F 8.66 4.30 0.00 2.97 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 56 G 8.21 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 57 M 7.53 5.15 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 58 V 8.88 4.56 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 0.73 0.00 0.00 0.95 0.00 0.00 59 G 8.74 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 0.00 0.00 0.00 0.00 60 L 9.15 5.29 0.00 1.49 1.61 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.79 4.63 2.15 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 0.96 0.00 0.00 0.96 0.00 0.00 62 H 8.95 5.28 0.00 3.08 3.14 0.00 5.68 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.82 0.00 1.93 1.97 0.00 3.64 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.10 0.00 64 R 8.26 4.46 0.00 1.84 1.83 0.00 3.10 0.00 0.00 3.44 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 65 S 9.06 4.22 0.00 4.03 4.14 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 66 G 8.34 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.89 3.96 0.00 1.69 1.74 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 68 A 7.63 4.35 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 69 T 7.75 3.82 4.35 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 1.21 0.00 0.00 70 R 7.95 4.13 0.00 1.77 2.00 0.00 3.10 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 71 V 7.60 4.27 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 0.68 0.00 0.00 0.99 0.00 0.00 72 G 8.19 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.77 4.56 0.00 1.78 1.54 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 74 S 8.94 4.90 0.00 3.89 3.65 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 75 I 7.97 4.85 1.86 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 1.22 0.59 0.96 0.00 0.00 76 V 8.28 3.50 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 0.76 0.00 0.00 0.98 0.00 0.00 77 N 7.87 4.83 0.00 2.84 2.85 0.00 0.00 5.95 7.64 0.00 0.00 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 S 8.01 4.20 0.00 3.90 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 79 P 0.00 4.76 0.00 2.13 1.94 0.00 3.80 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 80 G 8.63 3.73 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 0.00 0.00 0.00 81 T 8.42 4.90 4.20 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 82 I 8.85 4.21 1.88 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 1.33 1.23 1.01 0.00 0.00 83 D 8.52 4.76 0.00 2.75 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.15 4.36 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 85 G 8.01 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 86 Y 7.97 4.30 0.00 3.04 3.01 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 0.00 0.00 0.00 0.00 87 R 7.85 4.46 0.00 1.62 1.73 0.00 3.37 0.00 0.00 3.34 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.47 0.00 88 G 5.38 3.51 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 0.00 0.00 0.00 0.00 89 E 8.32 4.36 0.00 1.96 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 2.35 2.55 0.00 90 I 8.89 4.30 1.93 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.11 0.94 0.00 0.00 91 K 8.64 5.08 0.00 1.60 1.68 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.62 7.81 92 V 8.80 4.29 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 0.96 0.00 0.00 0.93 0.00 0.00 93 A 8.52 4.47 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 94 L 8.78 4.60 0.00 1.63 1.59 0.92 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 95 I 8.55 4.90 1.86 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 1.11 1.63 0.97 0.00 0.00 96 N 9.12 4.92 0.00 2.80 2.85 0.00 0.00 6.93 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 97 L 8.63 4.47 0.00 1.71 1.67 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 98 D 8.59 4.60 0.00 2.84 2.63 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 99 P 0.00 4.47 0.00 2.08 2.08 0.00 3.67 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 2.01 2.07 0.00 100 A 8.73 4.41 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 0.00 101 A 8.16 4.27 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 0.00 102 P 0.00 4.67 0.00 1.94 2.02 0.00 3.62 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 103 I 8.65 4.48 1.86 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 1.10 0.65 0.90 0.00 0.00 104 V 8.49 4.57 2.02 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 0.62 0.00 0.00 0.95 0.00 0.00 105 V 9.17 4.27 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 0.83 0.00 0.00 0.92 0.00 0.00 106 H 9.22 5.57 0.00 3.38 3.16 0.00 5.71 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 R 8.79 4.23 0.00 1.80 1.88 0.00 3.23 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 1.66 1.69 0.00 108 G 9.40 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 0.00 0.00 0.00 109 D 8.32 4.81 0.00 2.75 2.63 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 0.00 110 R 8.54 4.55 0.00 1.61 1.68 0.00 3.16 0.00 0.00 3.20 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.61 0.00 111 I 8.36 4.35 1.86 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 1.29 0.60 0.92 0.00 0.00 112 A 7.24 4.54 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 0.00 113 Q 8.54 4.82 0.00 2.07 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.71 0.00 0.00 0.00 0.00 0.00 2.21 2.22 0.00 114 L 9.07 5.07 0.00 1.70 1.52 0.98 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 115 L 8.91 5.02 0.00 1.47 1.46 0.69 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 116 V 8.12 4.81 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 0.85 0.00 0.00 0.93 0.00 0.00 117 Q 8.85 4.75 0.00 1.99 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.67 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 118 R 8.46 4.73 0.00 1.67 1.82 0.00 3.16 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 119 V 8.58 4.41 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 0.59 0.00 0.00 0.89 0.00 0.00 120 E 8.92 3.95 0.00 1.96 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 0.00 2.29 2.26 0.00 121 L 8.07 4.35 0.00 1.56 1.58 0.39 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 122 V 7.43 3.70 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 0.66 0.00 0.00 0.93 0.00 0.00 123 E 8.42 4.56 0.00 1.92 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 0.00 2.21 2.31 0.00 124 L 8.47 4.12 0.00 1.67 1.60 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 125 V 8.01 4.20 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 0.81 0.00 0.00 0.94 0.00 0.00 126 E 8.53 4.08 0.00 1.95 1.82 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 2.24 2.29 0.00 127 V 7.81 4.57 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 0.91 0.00 0.00 0.78 0.00 0.00 128 S 8.75 4.21 0.00 3.93 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 0.00 129 S 7.27 4.31 0.00 3.94 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 0.00 130 F 8.10 4.39 0.00 3.16 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 0.00 131 D 8.19 4.41 0.00 2.76 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 0.00 132 E 8.20 4.03 0.00 1.97 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 2.35 2.33 0.00 133 A 7.94 4.46 1.42 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 0.00 0.00 0.00 134 G 8.14 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 0.00 135 L 9.41 4.64 0.00 2.02 1.64 1.12 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.26 4.21 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 * Residues marked with a * may have inaccurate shift predictions.