NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.3165 8.3349 115.2904 57.5282 63.3483 173.1475 1 L 3.9491 8.3510 128.5238 53.6161 41.6793 174.8430 2 K 4.3509 8.7205 121.8618 56.9282 36.6233 175.5532 3 G 4.1433 8.3425 105.3424 45.4942 0.0000 172.2657 4 L 4.5211 8.3067 119.3830 55.1858 42.6030 178.1677 5 R 4.6020 9.7015 121.6714 55.9094 33.7366 175.6953 6 R 5.7229 7.5726 117.1259 55.4620 33.8398 173.8258 7 L 5.2848 8.5721 124.2431 52.9721 46.4703 175.4966 8 V 4.7499 8.7942 122.7532 61.3878 33.8657 173.9045 9 L 5.1028 9.1267 129.1840 53.0872 44.1384 175.3948 10 D 4.9471 9.2935 124.5617 53.3797 42.4004 175.0954 11 V 4.8200 8.8220 126.4679 60.9319 34.8756 173.7641 12 L 5.2417 8.3492 129.1533 53.3793 44.5632 175.0519 13 K 4.9289 8.5635 123.1476 55.0798 35.3020 173.5899 14 P 5.0024 0.0000 0.0000 61.8995 32.2449 176.9160 15 H 4.4661 8.7329 115.5407 58.0614 28.7263 175.8953 16 E 4.7825 7.2982 117.6730 53.5955 31.7254 174.1797 17 P 4.6185 0.0000 0.0000 61.8578 32.5019 176.3810 18 K 4.2930 8.4244 118.9789 56.3334 32.7520 178.6418 19 T 3.8560 8.4543 111.9173 64.9434 68.6035 176.4579 20 I 3.7474 7.8196 114.9997 63.2109 37.4496 178.0243 21 V 3.7592 7.8833 120.5728 65.4987 31.4449 177.7738 22 F 3.8094 8.4823 116.9130 60.4488 38.7753 176.9871 23 A 4.0371 8.4413 120.5108 55.3192 18.3308 179.2447 24 L 3.9168 7.8400 116.7266 58.2267 41.6102 180.0464 25 K 3.9072 7.9124 116.5748 59.6807 32.3500 179.1605 26 L 4.1489 8.2196 119.5437 57.6568 41.3231 179.6271 27 S 4.2604 8.3349 113.5997 60.8606 63.1027 175.6113 28 E 4.2013 7.7279 120.0775 56.5129 29.5058 176.9989 29 L 4.1622 7.0309 119.6494 54.4497 42.3783 176.2629 30 E 4.1705 8.3873 121.2863 57.6957 30.2582 177.1714 31 N 4.5045 9.0637 119.3579 53.0011 36.2635 173.7697 32 V 4.4988 7.0777 118.0892 61.7227 31.5667 175.3318 33 D 4.5292 9.0750 128.7577 57.1176 42.0711 176.5324 34 G 3.9697 7.5371 102.9892 45.8999 0.0000 172.5907 35 V 5.1279 8.3811 119.1360 61.0417 35.0212 173.7084 36 N 5.0219 9.5366 125.9701 51.8400 41.8470 172.7305 37 I 4.8933 8.5434 126.7252 59.9276 39.5427 174.1923 38 H 4.8163 9.5019 128.2685 54.2401 31.9549 173.2828 39 L 4.2969 8.1457 128.0257 54.8764 41.8909 176.1610 40 S 4.4496 8.9028 123.8938 60.9043 63.8382 174.5472 41 E 4.7356 7.5847 116.2450 55.6566 32.6963 174.6108 42 I 4.6512 8.4741 125.9450 59.6727 39.3849 174.8907 43 D 5.1469 8.9375 126.3272 52.3111 43.6232 174.9855 44 Q 4.0857 8.8112 119.6085 59.6926 28.6262 179.8428 45 A 4.3089 7.6172 118.9262 51.2541 19.9210 174.7407 46 T 4.9438 7.7670 112.2211 62.6997 71.6123 171.9196 47 E 5.1385 9.3361 123.4325 54.7270 34.4530 174.1793 48 N 5.5183 9.1785 120.9283 51.5308 41.0619 173.9682 49 I 4.9940 8.8953 116.9417 58.9379 41.8053 173.9479 50 K 4.8582 9.3827 126.2084 55.0661 34.1310 174.7510 51 I 4.8789 8.8302 129.0426 59.9421 39.7469 174.6381 52 T 5.0440 9.2623 124.2657 61.8580 71.1507 173.1844 53 I 4.9357 8.7214 127.6551 59.3572 40.0762 174.5088 54 L 5.0386 9.2431 128.9048 52.8042 44.6626 176.7848 55 G 4.2728 7.0312 109.4021 45.8622 0.0000 170.3083 56 N 4.9396 8.0499 117.9817 53.0345 41.7291 174.9008 57 N 4.1827 8.6403 122.7371 54.3338 38.0952 174.0141 58 L 4.0668 7.8856 116.5701 55.0652 42.7850 178.1653 59 D 4.7036 8.3844 121.4349 52.6760 41.5486 176.2036 60 Y 4.1966 8.5485 128.0319 60.9010 38.7306 177.5379 61 E 3.7223 8.3484 118.5750 59.5536 29.6198 178.9368 62 Q 3.8786 8.4569 119.3172 59.4269 29.0629 178.6313 63 I 3.6575 7.7647 120.6506 64.2159 37.0363 178.3760 64 K 3.8534 8.3000 120.9677 59.0332 31.8583 178.9822 65 G 3.5729 8.3968 106.6154 47.7937 0.0000 175.5531 66 V 3.4763 7.3736 119.8175 65.6404 31.8469 177.6290 67 I 3.8494 7.5623 119.2675 64.7434 36.8000 178.3452 68 E 4.6537 8.2051 119.3571 58.2973 29.3968 178.8618 69 D 4.6363 8.2274 119.3826 54.2610 41.2995 177.4680 *71 G 3.9119 8.1529 107.8800 44.9042 0.0000 173.8621 72 G 4.3288 8.2740 108.1319 45.3270 0.0000 173.2670 73 V 4.7856 8.6189 119.5110 59.6975 34.8601 175.0251 74 I 4.5458 8.4352 124.8242 60.9628 36.6901 175.3106 75 H 4.7112 9.2053 126.6818 58.6287 29.4430 176.3406 76 S 4.5634 7.7730 109.1037 57.5601 65.7370 175.6233 77 V 4.4505 8.4791 122.4312 62.1162 31.0219 175.1230 78 D 4.6667 9.2068 129.5431 56.2742 41.7001 176.7147 79 E 4.7691 7.8526 117.9606 54.9238 33.1906 173.9308 80 V 4.9494 8.2476 124.4754 61.2529 35.0997 174.3759 81 V 4.5921 8.8499 125.9993 61.1229 34.6525 174.0206 82 A 4.9446 9.0228 127.9498 51.3940 22.3213 174.7425 83 G 3.7234 8.0571 106.1019 44.2020 0.0000 173.5658 84 K 4.3648 8.5235 117.3289 57.3306 32.5684 177.4140 85 I 4.4006 7.3783 118.4141 59.1157 39.1865 175.7369 86 I 3.8742 8.1950 125.7303 61.1393 35.7202 174.9653 87 V 3.9181 7.9864 125.1944 61.8193 32.1384 175.9665 88 E 4.3336 8.4612 126.6117 55.3965 30.5357 175.8509 89 S 4.2682 8.2813 115.4187 57.7422 63.0190 173.6716 90 V 3.8292 8.4819 130.4012 63.0114 31.8510 176.1011 91 E 4.3157 8.7086 122.3099 55.9979 30.1701 172.0812 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 4.32 0.00 3.85 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 1 L 8.35 3.95 0.00 1.83 1.62 0.92 0.58 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 2 K 8.72 4.35 0.00 1.89 1.88 0.00 1.58 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.42 7.81 3 G 8.34 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 0.00 0.00 0.00 4 L 8.31 4.52 0.00 1.76 1.63 1.01 0.79 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 5 R 9.70 4.60 0.00 1.70 1.91 0.00 3.56 0.00 0.00 3.20 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 6 R 7.57 5.72 0.00 1.85 1.71 0.00 3.17 0.00 0.00 3.30 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 7 L 8.57 5.28 0.00 1.65 1.55 1.14 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.79 4.75 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 1.04 0.00 0.00 0.94 0.00 0.00 9 L 9.13 5.10 0.00 1.64 1.62 1.06 1.09 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 10 D 9.29 4.95 0.00 2.94 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 11 V 8.82 4.82 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 0.90 0.00 0.00 0.96 0.00 0.00 12 L 8.35 5.24 0.00 1.57 1.17 1.03 0.62 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 13 K 8.56 4.93 0.00 1.82 1.72 0.00 0.61 0.00 0.00 0.81 0.00 0.00 2.25 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.12 1.24 7.81 14 P 0.00 5.00 0.00 2.25 2.24 0.00 3.96 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 2.34 1.98 0.00 15 H 8.73 4.47 0.00 3.13 3.39 0.00 5.67 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.30 4.78 0.00 2.13 1.88 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 2.28 2.41 0.00 17 P 0.00 4.62 0.00 2.26 2.07 0.00 4.02 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 2.02 2.15 0.00 18 K 8.42 4.29 0.00 1.86 1.75 0.00 1.69 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.65 7.81 19 T 8.45 3.86 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 1.03 0.00 0.00 20 I 7.82 3.75 1.90 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 1.56 0.61 0.92 0.00 0.00 21 V 7.88 3.76 2.33 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 1.01 0.00 0.00 0.98 0.00 0.00 22 F 8.48 3.81 0.00 3.33 3.15 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 23 A 8.44 4.04 1.40 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 0.00 0.00 0.00 24 L 7.84 3.92 0.00 1.88 1.75 0.97 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 25 K 7.91 3.91 0.00 1.61 1.79 0.00 1.66 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.59 1.51 7.81 26 L 8.22 4.15 0.00 1.93 1.73 1.01 0.80 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 27 S 8.33 4.26 0.00 4.00 4.10 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 E 7.73 4.20 0.00 2.13 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 0.00 2.33 2.51 0.00 29 L 7.03 4.16 0.00 1.86 1.58 0.90 1.03 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 30 E 8.39 4.17 0.00 1.95 1.88 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 2.31 2.27 0.00 31 N 9.06 4.50 0.00 2.94 3.28 0.00 0.00 6.72 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 32 V 7.08 4.50 2.27 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 0.81 0.00 0.00 0.98 0.00 0.00 33 D 9.07 4.53 0.00 2.81 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 34 G 7.54 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 35 V 8.38 5.13 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 0.85 0.00 0.00 0.97 0.00 0.00 36 N 9.54 5.02 0.00 2.73 2.62 0.00 0.00 6.78 7.73 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 37 I 8.54 4.89 1.88 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 1.27 0.82 0.86 0.00 0.00 38 H 9.50 4.82 0.00 3.21 3.26 0.00 5.77 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.15 4.30 0.00 1.57 1.43 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.90 4.45 0.00 3.83 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 41 E 7.58 4.74 0.00 1.97 1.70 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 2.18 2.23 0.00 42 I 8.47 4.65 1.83 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 1.34 0.70 0.82 0.00 0.00 43 D 8.94 5.15 0.00 2.74 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 44 Q 8.81 4.09 0.00 2.01 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.52 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 45 A 7.62 4.31 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 46 T 7.77 4.94 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 1.22 0.00 0.00 47 E 9.34 5.14 0.00 1.78 1.67 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 2.14 2.27 0.00 48 N 9.18 5.52 0.00 2.58 2.70 0.00 0.00 6.50 6.78 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 49 I 8.90 4.99 1.86 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.89 0.77 0.00 0.00 50 K 9.38 4.86 0.00 1.91 1.74 0.00 1.50 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.36 1.46 7.81 51 I 8.83 4.88 1.92 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 1.26 0.71 0.96 0.00 0.00 52 T 9.26 5.04 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 1.22 0.00 0.00 53 I 8.72 4.94 1.91 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 1.15 0.77 0.94 0.00 0.00 54 L 9.24 5.04 0.00 1.77 1.49 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 55 G 7.03 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 0.00 0.00 0.00 0.00 56 N 8.05 4.94 0.00 2.66 2.66 0.00 0.00 7.27 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 57 N 8.64 4.18 0.00 3.04 2.75 0.00 0.00 6.98 6.28 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 58 L 7.89 4.07 0.00 1.73 1.64 0.96 0.84 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 59 D 8.38 4.70 0.00 2.75 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.55 4.20 0.00 3.11 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 61 E 8.35 3.72 0.00 2.15 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 2.48 2.36 0.00 62 Q 8.46 3.88 0.00 2.24 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 63 I 7.76 3.66 1.91 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 1.40 0.56 0.89 0.00 0.00 64 K 8.30 3.85 0.00 1.02 1.61 0.00 1.57 0.00 0.00 1.54 0.00 0.00 3.27 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.31 7.81 65 G 8.40 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.37 3.48 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 0.74 0.00 0.00 0.91 0.00 0.00 67 I 7.56 3.85 1.99 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 1.66 0.77 1.05 0.00 0.00 68 E 8.21 4.65 0.00 1.95 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 2.49 2.32 0.00 69 D 8.23 4.64 0.00 2.72 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 *71 G 8.15 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 0.00 0.00 0.00 72 G 8.27 4.33 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 0.00 73 V 8.62 4.79 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 0.79 0.00 0.00 0.98 0.00 0.00 74 I 8.44 4.55 1.96 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 1.40 0.60 1.06 0.00 0.00 75 H 9.21 4.71 0.00 3.16 3.35 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 S 7.77 4.56 0.00 3.85 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 77 V 8.48 4.45 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 0.75 0.00 0.00 0.89 0.00 0.00 78 D 9.21 4.67 0.00 2.58 2.71 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 79 E 7.85 4.77 0.00 2.00 1.72 0.00 0.00 0.00 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 2.30 0.00 80 V 8.25 4.95 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 0.79 0.00 0.00 0.87 0.00 0.00 81 V 8.85 4.59 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 0.90 0.00 0.00 0.93 0.00 0.00 82 A 9.02 4.94 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 83 G 8.06 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.52 4.36 0.00 1.76 1.88 0.00 1.76 0.00 0.00 2.36 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.58 1.42 7.81 85 I 7.38 4.40 1.87 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 1.41 0.59 0.91 0.00 0.00 86 I 8.20 3.87 1.87 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 1.30 0.74 0.91 0.00 0.00 87 V 7.99 3.92 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 0.80 0.00 0.00 0.96 0.00 0.00 88 E 8.46 4.33 0.00 2.00 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 2.30 2.23 0.00 89 S 8.28 4.27 0.00 3.82 3.76 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 90 V 8.48 3.83 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 0.81 0.00 0.00 0.93 0.00 0.00 91 E 8.71 4.32 0.00 2.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.83 0.00 * Residues marked with a * may have inaccurate shift predictions.