NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.6877 0.0000 0.0000 62.7997 33.9182 174.3410 2 A 5.0600 9.0486 120.9583 49.2693 22.2503 174.0251 3 F 5.4893 10.1293 126.8264 56.6373 42.3178 172.4426 4 I 4.8058 8.7641 127.5570 59.4071 39.8445 174.8525 5 V 4.3514 8.5449 126.3872 61.0398 34.3879 173.6687 6 N 5.3172 9.0731 126.0164 51.8774 40.7393 173.8906 7 T 5.1778 9.0967 118.0583 59.2028 71.2821 173.5938 8 N 5.1106 8.6925 122.4334 52.4788 38.4396 175.5301 9 V 3.9003 7.6401 114.0385 60.5520 33.0494 174.4477 10 P 5.2683 0.0000 0.0000 61.9206 32.1609 177.6094 11 R 3.8203 8.5203 119.8874 59.3915 30.0741 178.3270 12 A 4.2401 7.8911 118.5921 53.4664 18.6832 177.6469 13 S 4.3833 7.8566 109.4986 58.1236 63.6529 174.2147 14 V 3.8079 7.2274 121.9201 60.7822 31.8369 173.9708 15 P 4.3912 0.0000 0.0000 62.3147 31.9231 175.1309 16 E 4.2093 8.5006 121.8488 57.3686 30.1969 177.1403 17 G 4.3108 9.0229 114.3555 46.2336 0.0000 174.8123 18 F 4.3230 8.2380 121.9054 61.5238 39.3417 177.0147 19 L 3.8428 7.9794 118.3287 57.4509 41.5274 179.5213 20 S 4.0723 7.9231 114.0355 61.3026 63.0952 175.8408 21 E 3.9541 8.4543 123.5416 58.8250 29.3634 178.1951 22 L 3.7146 7.6970 120.3475 58.5837 42.0036 179.0632 23 T 3.8120 7.6954 115.2552 67.0152 68.4652 176.6156 24 Q 4.0056 8.0862 119.6461 58.7748 28.6603 178.9001 25 Q 3.9095 8.2401 119.4008 59.0546 28.7383 178.7236 26 L 3.8418 8.0917 120.0292 57.6234 41.3337 179.5116 27 A 4.1415 7.6308 121.3309 54.6819 18.5473 179.4931 28 Q 3.9904 8.0934 116.3137 58.9498 28.6577 178.3814 29 A 4.0138 8.1275 121.4582 55.4861 18.5429 179.1649 30 T 4.3918 7.3732 106.4731 60.7524 69.4191 175.8836 31 G 3.9155 7.6342 109.0753 45.9427 0.0000 173.4462 32 K 4.6301 7.4552 119.4821 53.6435 33.9948 174.5577 33 P 4.3376 0.0000 0.0000 62.1309 32.4010 177.0935 34 A 3.9437 8.7042 123.4123 55.4384 18.3528 179.9636 35 Q 3.9573 7.9444 112.6969 59.0344 28.6130 176.7880 36 Y 5.0125 8.2796 114.7319 57.6423 38.0259 174.8739 37 I 5.0337 7.5989 119.9509 59.5059 40.2080 175.0205 38 A 4.8028 8.8524 126.4299 50.2016 22.5200 175.0894 39 V 4.8547 8.4840 120.6564 61.3407 34.8993 174.3894 40 H 4.8589 9.1336 126.2707 54.6815 32.9393 171.7812 41 V 4.6630 8.6497 125.9212 61.0925 33.6540 174.8999 42 V 4.3359 8.8566 128.7343 60.7467 33.3157 173.0184 43 P 5.1133 0.0000 0.0000 61.4845 34.2120 174.7628 44 D 4.4146 8.5460 116.1354 55.6619 38.5810 174.0135 45 Q 4.6401 7.9066 116.7673 54.7551 30.2053 175.2611 46 L 4.3859 8.1279 120.8617 53.9758 42.8499 176.6885 *48 T 4.3183 8.0935 112.2588 61.7520 70.0587 173.1658 49 F 4.6811 9.1112 124.5175 58.4149 42.4826 174.5740 50 S 3.7974 9.7883 124.0609 59.4784 60.3828 173.3876 51 G 4.0400 9.0356 109.2759 45.2186 0.0000 173.6898 52 T 4.7733 7.9871 108.7133 60.0571 71.8495 173.7898 53 S 4.9237 8.3419 113.3818 58.1562 63.4857 174.3117 54 D 4.5196 7.9460 119.8126 54.1497 41.2014 174.5499 55 P 4.3979 0.0000 0.0000 63.8022 31.8275 175.4287 56 C 4.6586 9.5810 116.4053 57.5144 33.9459 172.5204 57 A 4.6933 8.5387 119.6824 50.9789 22.5599 175.2175 58 L 5.2079 9.1229 123.7656 53.5227 43.7952 175.7198 59 C 5.4377 9.6436 121.4338 57.9785 32.9503 173.2045 60 S 5.0740 8.7212 113.9748 56.9661 66.4988 172.5195 61 L 5.4118 9.0801 125.5459 53.7794 44.4700 174.4075 62 H 5.5351 9.8762 123.8097 54.3775 31.2208 173.5461 63 S 5.0615 9.1637 118.7590 56.1390 67.0245 174.5715 64 I 4.3803 7.8070 123.0637 58.5974 35.8076 175.0535 65 G 4.0053 6.9842 109.8951 45.3596 0.0000 170.8379 66 K 4.3512 8.3748 121.0654 55.0072 33.1281 176.0991 67 I 4.0705 8.1662 126.2839 60.3806 38.9467 175.9132 68 G 4.0044 8.6925 113.6824 43.3402 0.0000 175.3006 69 G 3.4822 8.3416 106.2305 47.6313 0.0000 175.8643 70 A 3.9255 7.7350 122.5390 54.8571 18.3775 179.6109 71 Q 3.3382 7.6283 116.0763 58.7299 28.6912 177.9507 72 N 3.5152 7.7059 118.1782 56.6536 38.8691 176.7015 73 R 3.8382 7.6173 118.9731 59.5488 30.3119 178.6357 74 N 4.3425 8.2129 116.7026 56.7955 38.6285 176.6080 75 Y 4.3651 8.5999 118.8539 61.1350 37.9592 178.1827 76 S 4.2855 8.4567 116.3057 61.6466 63.0025 176.6497 77 K 3.9579 8.0718 120.9359 59.5951 31.9463 179.0062 78 L 3.9324 7.7681 119.5608 58.3237 42.0726 179.1093 79 L 3.9877 8.4673 119.2115 57.9181 41.5561 179.3029 80 C 4.3341 8.9235 117.5102 62.7957 28.1022 176.3989 81 G 3.7105 8.1507 107.4023 47.5676 0.0000 175.5858 82 L 4.0430 7.9507 122.4988 58.0286 42.2158 179.1148 83 L 4.1839 8.1027 119.2718 57.7352 41.5352 179.7024 84 S 4.3566 8.5560 115.9273 61.0429 62.7804 176.2392 85 D 4.3247 7.9131 121.4791 57.2369 40.7520 178.8800 86 R 3.9896 8.0479 116.9758 58.0373 30.1693 178.0288 87 L 4.2757 7.5352 115.5170 53.0354 43.8905 175.8813 88 H 4.1518 7.9215 115.5337 56.8562 25.9236 174.0839 89 I 4.5652 6.9094 119.8985 58.8860 41.1250 175.6503 90 S 4.3413 8.3736 118.6014 57.2801 63.0581 173.0674 91 P 4.3145 0.0000 0.0000 66.1306 30.8000 177.3040 92 D 4.7814 7.8042 114.6544 54.1774 39.4974 176.4625 93 R 3.9528 8.4097 118.7088 55.8022 31.8347 175.0177 94 V 4.6754 7.6018 120.3432 61.4969 32.9007 174.1786 95 Y 4.8211 9.3347 130.2832 55.8614 41.3533 174.2627 96 I 4.9159 7.6286 126.1463 59.6244 40.1689 174.4007 97 N 4.7664 8.9043 124.5695 51.7000 41.1264 173.4203 98 Y 5.0177 8.1006 119.5265 56.4409 40.3433 174.7087 99 Y 4.7097 8.9571 121.5667 56.2813 42.1752 174.8410 100 D 5.2712 9.0054 123.4320 52.6430 40.0880 176.0457 101 A 4.0443 9.4718 127.0654 53.9301 19.1678 177.5385 102 N 4.8664 8.2463 112.2677 51.0713 39.1623 173.9722 103 A 4.1905 7.8934 124.1706 52.1571 19.1089 176.4848 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 P 0.00 4.69 0.00 2.20 2.35 0.00 3.76 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 2.00 2.00 0.00 2 A 9.05 5.06 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 3 F 10.13 5.49 0.00 3.05 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 4 I 8.76 4.81 1.79 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 1.15 0.87 0.77 0.00 0.00 5 V 8.54 4.35 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 1.06 0.00 0.00 0.50 0.00 0.00 6 N 9.07 5.32 0.00 2.77 2.69 0.00 0.00 5.93 7.70 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 7 T 9.10 5.18 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 1.19 0.00 0.00 8 N 8.69 5.11 0.00 2.78 2.97 0.00 0.00 6.44 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 9 V 7.64 3.90 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 0.68 0.00 0.00 0.86 0.00 0.00 10 P 0.00 5.27 0.00 2.15 1.95 0.00 3.85 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.02 0.00 11 R 8.52 3.82 0.00 2.09 1.93 0.00 3.25 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 12 A 7.89 4.24 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 13 S 7.86 4.38 0.00 3.95 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 14 V 7.23 3.81 2.19 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 0.81 0.00 0.00 0.84 0.00 0.00 15 P 0.00 4.39 0.00 2.27 1.96 0.00 3.26 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 1.98 1.97 0.00 16 E 8.50 4.21 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 2.31 2.32 0.00 17 G 9.02 4.31 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 0.00 0.00 0.00 18 F 8.24 4.32 0.00 3.15 3.12 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 0.00 0.00 0.00 0.00 19 L 7.98 3.84 0.00 1.70 1.68 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 20 S 7.92 4.07 0.00 4.03 4.11 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 21 E 8.45 3.95 0.00 2.14 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 0.00 2.28 2.32 0.00 22 L 7.70 3.71 0.00 1.27 1.38 0.86 0.83 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 23 T 7.70 3.81 4.40 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 1.18 0.00 0.00 24 Q 8.09 4.01 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.65 0.00 25 Q 8.24 3.91 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.79 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 26 L 8.09 3.84 0.00 1.69 1.58 0.86 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.63 4.14 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 28 Q 8.09 3.99 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.67 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 29 A 8.13 4.01 1.04 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 30 T 7.37 4.39 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 0.90 0.00 0.00 31 G 7.63 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 32 K 7.46 4.63 0.00 1.84 1.89 0.00 1.81 0.00 0.00 1.84 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.61 1.56 7.81 33 P 0.00 4.34 0.00 2.02 2.06 0.00 3.85 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 1.59 1.64 0.00 34 A 8.70 3.94 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.94 3.96 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.25 0.00 0.00 0.00 0.00 0.00 1.65 1.16 0.00 36 Y 8.28 5.01 0.00 3.05 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 37 I 7.60 5.03 2.01 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.81 0.92 0.00 0.00 38 A 8.85 4.80 1.22 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 0.00 0.00 0.00 39 V 8.48 4.85 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 0.84 0.00 0.00 0.96 0.00 0.00 40 H 9.13 4.86 0.00 3.18 3.02 0.00 5.61 0.00 0.00 0.00 0.00 6.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.65 4.66 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 0.96 0.00 0.00 1.02 0.00 0.00 42 V 8.86 4.34 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 1.01 0.00 0.00 0.76 0.00 0.00 43 P 0.00 5.11 0.00 2.17 2.06 0.00 3.98 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.00 0.00 44 D 8.55 4.41 0.00 2.89 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 45 Q 7.91 4.64 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.19 6.92 0.00 0.00 0.00 0.00 0.00 2.66 2.45 0.00 46 L 8.13 4.39 0.00 1.63 1.59 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 *48 T 8.09 4.32 4.28 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 1.23 0.00 0.00 49 F 9.11 4.68 0.00 3.01 2.70 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 50 S 9.79 3.80 0.00 4.24 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 51 G 9.04 4.04 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 0.00 52 T 7.99 4.77 4.26 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 1.23 0.00 0.00 53 S 8.34 4.92 0.00 4.00 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 54 D 7.95 4.52 0.00 2.68 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 55 P 0.00 4.40 0.00 1.99 1.98 0.00 3.64 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 2.01 2.07 0.00 56 C 9.58 4.66 0.00 2.31 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 57 A 8.54 4.69 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 58 L 9.12 5.21 0.00 1.67 1.69 0.96 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 59 C 9.64 5.44 0.00 2.84 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 0.00 0.00 0.00 60 S 8.72 5.07 0.00 4.18 4.11 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 61 L 9.08 5.41 0.00 1.90 1.61 1.00 1.08 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 62 H 9.88 5.54 0.00 3.12 3.29 0.00 5.61 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 S 9.16 5.06 0.00 3.84 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 64 I 7.81 4.38 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 1.31 0.41 0.89 0.00 0.00 65 G 6.98 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 66 K 8.37 4.35 0.00 1.82 1.71 0.00 1.76 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.35 7.81 67 I 8.17 4.07 1.83 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.66 0.66 0.00 0.00 68 G 8.69 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 0.00 0.00 0.00 69 G 8.34 3.48 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 0.00 70 A 7.73 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 71 Q 7.63 3.34 0.00 1.81 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.79 0.00 0.00 0.00 0.00 0.00 2.15 2.19 0.00 72 N 7.71 3.52 0.00 2.27 2.72 0.00 0.00 7.26 8.51 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 73 R 7.62 3.84 0.00 1.99 1.92 0.00 3.12 0.00 0.00 3.02 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 74 N 8.21 4.34 0.00 2.84 2.81 0.00 0.00 7.33 8.39 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 75 Y 8.60 4.37 0.00 3.12 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 76 S 8.46 4.29 0.00 4.03 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 77 K 8.07 3.96 0.00 1.84 1.89 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.74 7.81 78 L 7.77 3.93 0.00 1.86 1.87 0.98 0.72 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 79 L 8.47 3.99 0.00 1.71 1.60 0.44 0.51 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 80 C 8.92 4.33 0.00 3.03 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 81 G 8.15 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.95 4.04 0.00 1.98 1.90 1.06 0.60 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 83 L 8.10 4.18 0.00 1.99 1.79 1.13 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 84 S 8.56 4.36 0.00 4.17 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 85 D 7.91 4.32 0.00 2.74 2.79 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 86 R 8.05 3.99 0.00 1.66 1.76 0.00 3.30 0.00 0.00 3.29 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.07 0.00 87 L 7.54 4.28 0.00 1.59 1.51 0.83 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 88 H 7.92 4.15 0.00 3.24 3.28 0.00 5.61 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 I 6.91 4.57 1.83 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 1.24 1.17 0.83 0.00 0.00 90 S 8.37 4.34 0.00 3.84 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 91 P 0.00 4.31 0.00 2.28 2.34 0.00 3.75 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.99 0.00 92 D 7.80 4.78 0.00 2.89 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 93 R 8.41 3.95 0.00 1.68 1.40 0.00 2.98 0.00 0.00 2.92 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.43 0.00 94 V 7.60 4.68 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 0.82 0.00 0.00 0.93 0.00 0.00 95 Y 9.33 4.82 0.00 3.51 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 96 I 7.63 4.92 1.68 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 1.48 0.82 0.41 0.00 0.00 97 N 8.90 4.77 0.00 2.74 2.22 0.00 0.00 6.42 7.09 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 98 Y 8.10 5.02 0.00 2.75 2.84 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 99 Y 8.96 4.71 0.00 2.77 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 0.00 100 D 9.01 5.27 0.00 2.79 2.64 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 0.00 0.00 0.00 0.00 101 A 9.47 4.04 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 0.00 102 N 8.25 4.87 0.00 2.68 2.68 0.00 0.00 6.91 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 0.00 103 A 7.89 4.19 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 * Residues marked with a * may have inaccurate shift predictions.