NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.3667 8.3044 120.3522 54.8953 33.3877 174.7556 1 V 3.3952 8.2811 124.8669 62.0167 31.9058 174.5045 2 D 4.6607 8.9199 127.4195 53.2142 42.2037 175.6778 3 F 4.0060 8.9210 129.2314 61.3511 39.5842 176.4073 4 A 3.9385 8.3426 119.7340 55.1535 18.1310 179.1649 5 F 4.0590 8.4991 118.9118 61.7113 39.5026 177.3237 6 E 3.5596 8.3525 118.3306 58.8286 29.1546 179.1742 7 L 3.5533 7.6792 120.8731 58.0074 42.0682 179.0483 8 R 3.7151 7.5446 118.6142 59.1780 29.9930 178.3613 9 K 3.6328 7.8008 119.4686 59.1120 31.9711 178.6930 10 A 4.0218 8.0563 121.5507 55.1275 18.0795 179.2898 11 Q 3.7801 7.7310 116.8334 59.4688 29.1729 177.9210 12 D 4.5110 8.0307 118.7482 56.0135 41.1908 177.7903 13 T 4.5769 7.9184 107.4999 61.1918 70.4955 174.8999 14 G 4.1716 8.4762 108.9756 45.8168 0.0000 175.6397 15 K 4.6363 9.5822 129.8332 55.0658 35.2719 174.0102 16 I 5.0005 8.3587 120.6312 59.0846 40.7266 175.1188 17 V 4.4618 8.4630 116.6131 59.9013 35.0236 174.4316 18 M 4.7383 8.6167 123.7845 54.8446 34.1577 176.3747 19 G 4.0309 9.4875 109.6314 44.9416 0.0000 174.6320 20 A 4.0167 8.8047 122.3034 54.9941 18.4199 180.0534 21 R 3.8412 8.0250 116.5756 59.8001 30.1920 178.6946 22 K 4.1124 8.0423 117.5148 59.6141 32.1647 179.2761 23 S 4.2254 8.2854 115.4219 61.7487 62.6624 177.0030 24 I 3.7435 8.0976 122.4542 64.4068 36.8555 178.2440 25 Q 3.8697 8.0425 118.8645 59.4701 28.5327 178.9990 26 Y 3.8560 8.2764 117.1945 60.7808 37.9749 178.3874 27 A 4.0233 8.1960 121.7787 55.2141 18.3080 179.7788 28 K 3.8791 8.0323 116.3483 59.4985 32.2341 178.7060 29 M 4.3066 7.7163 114.0308 54.9457 31.6545 176.5334 30 G 3.8547 7.7428 107.6735 46.8757 0.0000 174.9030 31 G 3.9177 8.7883 109.4502 45.6057 0.0000 174.7978 32 A 4.6079 7.8825 122.1589 51.0792 20.4296 176.7979 33 K 4.4847 8.8141 119.2085 57.0799 33.7106 176.7256 34 L 4.6805 7.5429 119.9580 54.0081 45.7201 173.3593 35 I 5.0217 8.6533 126.0868 59.5955 40.3097 174.3913 36 I 5.2146 8.7498 127.3633 59.6556 39.9264 174.9609 37 V 4.9920 8.6099 119.4878 59.1579 34.9753 175.3845 38 A 4.7045 9.1395 127.3004 51.7924 19.0158 179.0180 39 R 4.1004 8.7555 116.2866 58.0161 29.6771 177.4578 40 N 4.7346 7.9889 113.8202 52.1046 37.6330 174.6890 41 A 4.0405 7.6351 121.7897 52.5276 19.0364 178.7942 42 R 3.9068 8.6536 120.7495 56.3481 31.3406 175.4827 43 P 4.2552 0.0000 0.0000 66.1008 31.3754 178.4262 44 D 4.3921 8.0563 117.0858 56.3578 39.3489 178.5541 45 I 3.7308 7.6936 120.8245 63.9691 37.1748 177.9099 46 K 3.9125 8.3779 120.8608 59.7500 31.9467 178.5985 47 E 4.0030 8.3277 118.6694 59.4234 29.2722 179.1035 48 D 4.3168 8.3715 119.0044 57.4345 40.8785 178.7298 49 I 3.8778 8.1045 120.4644 64.7326 37.2032 178.2994 50 E 3.9903 8.6182 119.6024 59.5026 29.2823 178.7856 51 Y 4.0162 8.2428 119.5995 61.1334 38.8372 177.8363 52 Y 3.9205 8.2698 117.6879 60.7546 37.8421 178.4977 53 A 4.1151 8.3835 122.2043 55.1572 17.9826 179.6352 54 R 3.8070 8.0358 117.2222 59.4894 29.8670 178.6862 55 L 3.9159 7.4587 118.0070 57.2409 41.7012 178.7156 56 S 4.6327 7.5800 110.7405 57.4176 63.4204 174.5646 57 G 3.8306 7.5036 108.8283 46.4130 0.0000 173.3210 58 I 4.3923 7.8872 121.3752 58.9393 38.1820 174.5127 59 P 4.4924 0.0000 0.0000 62.8975 32.6193 175.1759 60 V 5.0249 8.4015 121.4971 61.3396 34.1665 173.8014 61 Y 4.7692 9.2615 128.6724 55.7370 41.5038 173.6794 62 E 4.7110 8.1007 127.8026 54.7802 31.1871 174.8678 63 F 4.2945 8.9798 131.2351 57.9775 39.9574 175.9499 64 E 3.5661 8.3302 126.6633 57.9083 30.0498 176.3170 65 G 3.5363 5.3800 107.3635 43.8592 0.0000 172.8307 66 T 4.8259 8.9007 111.2153 60.6724 71.2710 175.7466 67 S 4.6088 9.1738 117.8336 60.7824 62.6637 176.9274 68 V 3.5854 7.7777 121.6725 66.0973 31.3714 177.5906 69 E 4.0491 8.1243 117.8661 59.3627 29.3141 179.2474 70 L 3.8150 8.4378 120.4977 57.9347 42.1049 179.1269 71 G 3.7012 7.9900 106.5082 47.5874 0.0000 175.4647 72 T 3.8658 8.1635 118.7261 66.3242 68.2548 176.5486 73 L 4.0263 7.9373 119.8217 57.7344 41.7523 178.8069 74 L 4.4665 7.5930 115.6553 54.4658 41.6528 177.5310 75 G 3.8691 7.7446 106.9920 45.9353 0.0000 173.6419 76 R 4.5721 7.8599 118.0272 53.5668 31.9776 174.5007 77 P 4.5961 0.0000 0.0000 63.0878 31.5893 174.7944 78 H 5.0565 7.3463 114.3978 53.4756 31.6673 172.7534 79 T 4.1722 8.3078 109.6392 61.6681 69.3139 174.0303 80 V 4.3739 8.5821 122.6805 61.7361 33.9285 175.9531 81 S 4.6018 8.9609 123.8586 60.3601 64.5696 173.8607 82 A 5.3020 7.7892 119.3283 50.9434 22.5181 175.0532 83 L 5.0791 9.0128 118.7927 54.4177 44.7537 174.4206 84 A 5.0131 8.9647 121.7928 50.1068 22.1025 175.5765 85 V 3.9186 8.7706 123.8351 62.2413 31.7091 176.6015 86 V 3.7099 8.3541 129.5406 64.9485 32.5280 175.9530 87 D 4.7507 7.6655 120.3199 51.9728 44.0049 174.3644 88 P 4.3419 0.0000 0.0000 63.1501 32.8737 177.4499 89 G 3.6427 8.1281 108.5634 47.4455 0.0000 174.8361 90 E 4.3384 9.3367 125.1142 55.9787 29.5673 176.2422 91 S 4.4714 7.7336 114.1651 57.8095 64.4290 173.5817 92 A 4.6005 8.9622 122.4053 52.1862 19.0584 179.1391 93 I 3.5985 7.5542 121.9786 65.3439 37.8312 177.6463 94 L 4.1382 7.8325 118.3025 56.4451 41.7016 178.5089 95 A 4.0484 7.9090 121.2087 54.9960 17.9747 179.4083 96 L 4.0967 7.5741 116.2710 57.2385 41.6531 179.1152 97 G 3.8290 7.8902 104.5442 45.4888 0.0000 174.6587 98 G 3.8086 7.8544 111.2602 46.3710 0.0000 174.5333 *99 K 4.1019 7.7954 125.6566 54.6701 32.4255 180.4345 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 M 8.30 4.37 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.58 0.00 1 V 8.28 3.40 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 0.83 0.00 0.00 0.93 0.00 0.00 2 D 8.92 4.66 0.00 2.85 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 3 F 8.92 4.01 0.00 3.28 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 4 A 8.34 3.94 1.46 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 5 F 8.50 4.06 0.00 3.16 3.23 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 6 E 8.35 3.56 0.00 1.83 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 2.60 2.46 0.00 7 L 7.68 3.55 0.00 0.82 1.16 0.66 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 8 R 7.54 3.72 0.00 1.95 1.70 0.00 3.12 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.54 0.00 9 K 7.80 3.63 0.00 1.05 1.45 0.00 1.40 0.00 0.00 1.56 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.23 1.23 7.81 10 A 8.06 4.02 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 11 Q 7.73 3.78 0.00 2.03 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.92 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 12 D 8.03 4.51 0.00 2.65 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 13 T 7.92 4.58 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 14 G 8.48 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 9.58 4.64 0.00 1.72 1.56 0.00 1.56 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 1.25 1.35 7.81 16 I 8.36 5.00 1.77 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.77 0.80 0.00 0.00 17 V 8.46 4.46 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 0.51 0.00 0.00 0.53 0.00 0.00 18 M 8.62 4.74 0.00 1.90 1.97 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 19 G 9.49 4.03 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 0.00 20 A 8.80 4.02 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 21 R 8.03 3.84 0.00 1.91 1.97 0.00 3.19 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 22 K 8.04 4.11 0.00 1.91 2.02 0.00 1.77 0.00 0.00 2.04 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.64 1.59 7.81 23 S 8.29 4.23 0.00 4.09 3.98 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 24 I 8.10 3.74 2.02 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.09 0.65 0.00 0.00 25 Q 8.04 3.87 0.00 2.23 1.97 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 2.29 2.47 0.00 26 Y 8.28 3.86 0.00 3.10 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 27 A 8.20 4.02 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 28 K 8.03 3.88 0.00 1.71 1.76 0.00 1.43 0.00 0.00 1.55 0.00 0.00 2.58 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.97 0.99 7.81 29 M 7.72 4.31 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.59 0.00 30 G 7.74 3.85 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 0.00 0.00 0.00 31 G 8.79 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 A 7.88 4.61 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 33 K 8.81 4.48 0.00 1.67 1.85 0.00 1.73 0.00 0.00 1.62 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.52 7.81 34 L 7.54 4.68 0.00 1.73 1.43 1.06 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 35 I 8.65 5.02 1.94 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 1.27 0.53 1.04 0.00 0.00 36 I 8.75 5.21 2.00 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 1.58 0.86 1.25 0.00 0.00 37 V 8.61 4.99 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 0.80 0.00 0.00 0.95 0.00 0.00 38 A 9.14 4.70 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 39 R 8.76 4.10 0.00 1.88 2.11 0.00 2.96 0.00 0.00 3.07 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.47 0.00 40 N 7.99 4.73 0.00 2.85 2.93 0.00 0.00 5.98 7.26 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 41 A 7.64 4.04 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 42 R 8.65 3.91 0.00 1.91 1.86 0.00 3.22 0.00 0.00 3.35 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.75 0.00 43 P 0.00 4.26 0.00 2.19 2.11 0.00 3.65 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 2.12 2.17 0.00 44 D 8.06 4.39 0.00 2.87 2.92 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 45 I 7.69 3.73 2.05 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 1.55 0.97 0.96 0.00 0.00 46 K 8.38 3.91 0.00 1.94 1.93 0.00 1.64 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.62 1.51 7.81 47 E 8.33 4.00 0.00 2.21 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 2.33 2.57 0.00 48 D 8.37 4.32 0.00 2.95 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 49 I 8.10 3.88 2.11 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 1.63 0.86 0.99 0.00 0.00 50 E 8.62 3.99 0.00 2.18 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 0.00 2.36 2.50 0.00 51 Y 8.24 4.02 0.00 2.90 2.91 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 52 Y 8.27 3.92 0.00 3.07 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 53 A 8.38 4.12 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.04 3.81 0.00 2.00 2.04 0.00 3.12 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 55 L 7.46 3.92 0.00 1.72 1.63 0.80 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 56 S 7.58 4.63 0.00 3.89 3.90 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 57 G 7.50 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 58 I 7.89 4.39 1.90 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 1.45 0.64 0.95 0.00 0.00 59 P 0.00 4.49 0.00 2.17 2.22 0.00 3.77 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.99 0.00 60 V 8.40 5.02 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 0.98 0.00 0.00 61 Y 9.26 4.77 0.00 3.03 2.87 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 62 E 8.10 4.71 0.00 1.95 1.55 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 2.16 2.21 0.00 63 F 8.98 4.29 0.00 3.02 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 64 E 8.33 3.57 0.00 1.67 1.50 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 2.05 2.08 0.00 65 G 5.38 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 66 T 8.90 4.83 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 1.20 0.00 0.00 67 S 9.17 4.61 0.00 4.15 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 0.00 68 V 7.78 3.59 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 1.18 0.00 0.00 0.96 0.00 0.00 69 E 8.12 4.05 0.00 2.53 2.29 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 2.42 2.40 0.00 70 L 8.44 3.82 0.00 1.92 1.83 0.54 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 71 G 7.99 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 0.00 0.00 0.00 72 T 8.16 3.87 4.43 0.00 0.00 0.00 0.00 0.00 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 73 L 7.94 4.03 0.00 1.72 1.69 0.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.59 4.47 0.00 1.71 1.64 0.87 0.87 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 75 G 7.74 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 0.00 0.00 0.00 76 R 7.86 4.57 0.00 1.66 1.37 0.00 3.36 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 77 P 0.00 4.60 0.00 2.19 2.15 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 78 H 7.35 5.06 0.00 3.35 3.44 0.00 5.65 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 8.31 4.17 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 1.25 0.00 0.00 80 V 8.58 4.37 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 1.02 0.00 0.00 0.95 0.00 0.00 81 S 8.96 4.60 0.00 3.86 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 82 A 7.79 5.30 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 83 L 9.01 5.08 0.00 1.84 1.71 0.88 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 84 A 8.96 5.01 1.08 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 0.00 0.00 0.00 0.00 0.00 85 V 8.77 3.92 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 0.81 0.00 0.00 0.85 0.00 0.00 86 V 8.35 3.71 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 0.80 0.00 0.00 0.33 0.00 0.00 87 D 7.67 4.75 0.00 2.75 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 88 P 0.00 4.34 0.00 2.20 2.22 0.00 3.85 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 2.03 1.92 0.00 89 G 8.13 3.64 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 0.00 0.00 0.00 90 E 9.34 4.34 0.00 1.91 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 2.20 0.00 91 S 7.73 4.47 0.00 4.03 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 92 A 8.96 4.60 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 93 I 7.55 3.60 1.69 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.05 0.80 0.00 0.00 94 L 7.83 4.14 0.00 1.70 1.67 0.90 0.74 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 95 A 7.91 4.05 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 96 L 7.57 4.10 0.00 1.49 1.29 0.51 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 97 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 98 G 7.85 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 *99 K 7.80 4.10 0.00 1.54 1.64 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.