NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 C 5.2507 8.4016 117.5705 56.9079 41.6193 174.1905 5 S 4.0709 7.9205 114.2628 57.5818 62.8904 172.0060 6 L 4.2686 8.9121 129.6055 56.9034 43.2155 176.7623 7 T 4.2688 7.1480 114.8330 64.3516 69.1994 172.2217 8 G 3.6473 7.6239 109.0093 43.7512 0.0000 171.8139 9 K 4.8933 8.2086 118.1862 54.3907 34.7238 175.7329 10 W 5.3631 9.1649 124.6943 55.1161 33.0193 174.5532 11 T 5.3032 9.7423 116.3450 60.5123 70.8601 172.4292 12 N 5.8765 8.8645 123.9038 49.8161 40.2612 174.9883 13 D 4.4260 8.6243 117.2947 55.7761 39.4030 176.8824 14 L 4.3892 8.2021 119.8419 54.3671 41.5079 178.3360 15 G 3.8318 8.0640 106.9554 45.6270 0.0000 174.7644 16 S 4.6143 7.5876 115.9148 58.5567 64.3342 173.0137 17 N 5.6659 8.9932 119.1753 51.7776 42.4546 173.4587 18 M 5.1085 9.1133 118.4924 53.8972 35.5244 173.9537 19 T 4.9956 8.8651 116.4457 61.8882 72.4573 172.9886 20 I 4.7017 8.4792 126.5250 59.5066 40.4583 176.7159 21 G 4.2765 9.2424 114.2226 45.5119 0.0000 172.7394 22 A 4.5222 8.8514 122.1661 51.5674 19.0182 177.4688 23 V 5.0894 8.3635 120.4416 59.4123 33.1476 175.9052 24 N 4.7158 8.4989 121.9145 51.9122 38.3436 175.9824 25 S 4.3453 8.5081 113.2445 60.2631 63.3626 174.7397 26 R 4.4002 8.3737 120.7209 56.5145 29.8943 176.6559 27 G 4.4128 8.1518 109.7467 45.1732 0.0000 174.6489 28 E 4.6721 8.2993 118.8268 56.3189 31.1823 175.7642 29 F 5.2498 8.3195 115.7023 56.2310 41.7186 173.1049 30 T 5.0458 8.5424 116.2511 62.3053 72.1230 173.2147 31 G 4.3895 8.8023 110.0957 45.9104 0.0000 171.8891 32 T 5.0153 8.6033 110.7558 60.0192 71.8419 172.9825 33 Y 4.7131 9.4626 125.4565 56.0500 41.7673 174.2920 34 I 4.8157 8.6473 129.1053 59.9585 38.6001 175.1700 35 T 4.6817 8.9930 122.2775 61.7205 68.0154 174.3178 36 A 4.4447 9.0402 131.4836 52.9726 19.6511 177.6720 37 V 4.4174 6.9969 112.3612 60.0475 34.4526 174.4135 38 A 4.1947 7.8498 122.1035 51.6983 21.4734 176.2676 39 D 4.5104 8.8118 119.5970 57.2140 41.1318 177.3594 40 N 4.9074 7.6525 116.1539 50.5470 39.2238 172.8497 41 P 4.4908 0.0000 0.0000 63.2576 31.2792 178.8029 42 G 3.6429 7.9510 109.5208 48.1480 0.0000 174.5524 43 N 4.8232 7.8962 115.0684 52.6371 39.2769 174.4387 44 I 2.2628 7.2823 120.2139 61.2677 37.2097 175.3560 45 T 4.7183 7.6959 120.7522 60.6792 72.2709 173.2261 46 L 4.2511 8.4869 121.0164 55.9354 41.9191 177.4566 47 S 4.9672 9.2864 119.1381 56.1331 67.2521 173.0461 48 P 4.7795 0.0000 0.0000 63.2617 34.2904 173.8366 49 L 5.6998 7.3685 120.0998 55.3535 45.3263 173.3158 50 L 5.0603 7.7150 125.9892 53.0740 45.5188 175.7197 51 G 3.8876 7.9080 107.6003 45.5583 0.0000 172.0513 52 I 4.8464 7.6948 121.0375 59.3253 40.6180 174.8556 53 Q 4.9499 9.0745 126.3249 54.6326 32.7375 173.7534 54 H 4.2224 8.4564 122.8780 56.2919 30.0888 175.8311 *57 K 4.6508 8.3599 120.6912 56.2401 33.4983 175.3770 58 R 4.3534 8.0774 114.8526 57.3759 31.2879 175.6370 59 A 4.3034 7.7142 120.8784 51.6356 19.1306 178.4201 60 S 4.3581 8.6322 115.9245 60.3865 64.0626 174.4781 61 Q 4.8279 7.0881 116.3903 53.6204 27.3972 173.7054 62 P 4.5212 0.0000 0.0000 62.6839 33.6873 177.9246 63 T 4.3106 8.5634 118.8167 64.0563 70.5531 172.6379 64 F 4.7906 7.7630 116.6354 57.5712 41.8943 172.7356 65 G 4.5947 8.7907 101.7945 45.9386 0.0000 172.8708 66 F 5.6491 8.8427 118.2433 55.7212 42.6840 173.0043 67 T 5.0021 9.3745 115.3806 61.8118 71.7288 173.4842 68 V 4.3101 8.7905 127.0178 61.2393 33.4537 174.0109 69 N 4.5445 7.8258 126.6882 51.0598 40.1560 173.8764 70 W 4.3877 7.2973 127.3389 57.0743 29.0208 176.9442 71 K 4.2889 8.9232 124.0188 57.0375 32.1041 177.3772 72 F 4.9308 7.5736 112.7393 56.3820 38.5776 175.3006 73 S 4.4527 7.1100 114.2700 58.5221 64.4912 173.3095 74 E 4.3232 8.6538 118.4271 57.2873 28.8000 176.2876 75 S 4.8567 7.9710 114.7611 57.8539 65.4704 173.1497 76 T 4.7813 8.6137 116.8490 62.0750 71.7641 173.2879 77 T 5.1919 8.1641 121.1593 61.9456 71.5774 173.5974 78 V 5.0076 8.9038 119.5431 59.6075 35.0881 174.7066 79 F 5.5016 9.0808 122.3859 55.9096 42.4398 174.3972 80 T 5.3671 8.7102 111.6843 58.3660 72.7530 173.5503 81 G 3.9876 6.7205 106.4215 45.9783 0.0000 170.6779 82 Q 4.5313 7.3992 118.9138 54.4402 32.9225 173.8294 83 C 5.2942 8.2567 125.2878 55.3396 45.4961 172.7445 84 F 5.2601 9.0350 123.7776 56.0271 42.7975 175.3168 85 I 4.5664 8.9646 122.2647 60.0604 40.1511 175.6701 *89 G 3.8722 8.6885 111.1400 45.7175 0.0000 174.1658 90 K 4.2881 8.8449 117.7857 55.5411 34.2747 175.1520 91 E 5.3985 8.9213 123.8161 55.0292 30.8327 175.7529 92 V 5.0895 8.3809 121.9215 60.1178 34.9961 174.1768 93 L 4.9978 9.1858 126.1503 53.5882 43.1033 176.0532 94 K 4.9022 9.0824 125.7283 55.8287 33.3019 176.3990 95 T 5.3656 9.1698 114.9205 60.2792 72.8395 172.5728 96 M 5.3302 9.0904 120.1495 53.6270 37.1070 174.3837 97 W 5.4632 8.5825 117.1682 54.8897 32.5579 173.6391 98 L 5.3683 8.8427 120.2269 52.9785 44.6404 175.2661 99 L 5.0434 9.2655 126.5185 53.5747 44.1096 174.8412 100 R 4.8855 9.5025 128.9363 55.0059 31.5664 176.1139 101 S 4.8820 9.3066 123.7640 57.7728 64.4672 173.7224 102 S 4.6258 8.3941 115.7636 57.1255 64.2226 174.0539 103 V 4.4761 7.8744 116.5033 59.3461 34.4647 175.7127 104 N 4.4445 8.8244 120.1273 55.7325 38.9115 175.1915 105 D 4.9919 7.6412 116.4611 51.8383 43.9991 176.2452 106 I 3.8025 8.5426 125.0033 64.3256 37.7589 178.2844 107 G 4.0160 8.2073 104.9869 47.1861 0.0000 174.2057 108 D 4.6239 8.4272 120.2771 54.6991 41.1559 177.5422 109 D 4.3330 8.4525 120.4632 57.2135 40.8986 178.3204 110 W 4.3905 8.3207 114.9741 58.7481 27.8634 176.5540 111 K 4.1579 6.8025 115.2693 56.2031 32.1363 176.8631 112 A 4.0708 8.2201 125.5551 54.4015 18.8852 177.8420 113 T 4.9768 7.7445 112.1952 62.1649 70.3200 174.9164 114 R 4.8460 9.4097 125.7564 54.7019 33.4117 175.3014 115 V 4.7405 7.2012 118.1880 59.8633 34.8075 174.2653 116 G 3.0389 6.0888 107.5516 45.7572 0.0000 170.9164 117 Y 5.2584 7.9553 117.6597 55.5193 41.2658 174.4073 118 N 5.0100 8.8221 113.9080 52.5392 44.1451 174.0829 119 I 5.3011 8.8415 121.7528 59.8543 40.8511 174.4180 120 F 5.5090 9.5305 126.3624 56.0620 41.5778 175.0302 121 T 5.5062 9.1386 111.9353 59.7005 72.5155 173.5417 122 R 4.0584 8.8317 121.0320 56.2658 31.1105 176.7684 123 L 4.1821 8.1147 121.8163 55.3142 42.0452 176.2587 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 4 C 8.40 5.25 0.00 3.15 3.22 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 5 S 7.92 4.07 0.00 3.92 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 6 L 8.91 4.27 0.00 1.72 1.01 0.40 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.15 4.27 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 1.15 0.00 0.00 8 G 7.62 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 0.00 0.00 0.00 9 K 8.21 4.89 0.00 1.52 1.61 0.00 1.54 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.29 7.81 10 W 9.16 5.36 0.00 3.18 3.32 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 11 T 9.74 5.30 4.30 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 1.35 0.00 0.00 12 N 8.86 5.88 0.00 2.41 1.42 0.00 0.00 6.64 7.63 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 13 D 8.62 4.43 0.00 2.84 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 14 L 8.20 4.39 0.00 1.92 1.71 0.90 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.06 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 16 S 7.59 4.61 0.00 3.97 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 17 N 8.99 5.67 0.00 2.63 2.62 0.00 0.00 6.71 7.38 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 18 M 9.11 5.11 0.00 1.41 1.86 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 19 T 8.87 5.00 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 1.15 0.00 0.00 20 I 8.48 4.70 1.90 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.90 0.63 0.00 0.00 21 G 9.24 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 0.00 0.00 0.00 0.00 22 A 8.85 4.52 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 23 V 8.36 5.09 2.20 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 0.69 0.00 0.00 1.13 0.00 0.00 24 N 8.50 4.72 0.00 2.98 2.99 0.00 0.00 6.02 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 25 S 8.51 4.35 0.00 4.02 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 26 R 8.37 4.40 0.00 1.88 1.98 0.00 3.13 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 1.62 1.57 0.00 27 G 8.15 4.41 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 0.00 28 E 8.30 4.67 0.00 1.89 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 2.27 2.17 0.00 29 F 8.32 5.25 0.00 2.98 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 30 T 8.54 5.05 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 1.20 0.00 0.00 31 G 8.80 4.39 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 0.00 0.00 0.00 0.00 0.00 0.00 32 T 8.60 5.02 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 33 Y 9.46 4.71 0.00 2.88 2.85 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 34 I 8.65 4.82 1.89 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 0.45 0.96 0.00 0.00 35 T 8.99 4.68 4.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 36 A 9.04 4.44 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 37 V 7.00 4.42 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 0.70 0.00 0.00 0.91 0.00 0.00 38 A 7.85 4.19 1.09 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 0.00 0.00 39 D 8.81 4.51 0.00 2.62 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 40 N 7.65 4.91 0.00 2.69 2.66 0.00 0.00 6.89 8.03 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 41 P 0.00 4.49 0.00 2.09 2.05 0.00 3.72 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.91 0.00 42 G 7.95 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 43 N 7.90 4.82 0.00 2.71 2.84 0.00 0.00 7.03 7.62 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 44 I 7.28 2.26 1.60 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.01 0.79 0.00 0.00 45 T 7.70 4.72 4.38 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 1.26 0.00 0.00 46 L 8.49 4.25 0.00 1.60 1.76 0.95 0.85 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 47 S 9.29 4.97 0.00 3.89 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 48 P 0.00 4.78 0.00 2.07 2.21 0.00 4.18 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.77 0.00 49 L 7.37 5.70 0.00 1.67 1.70 0.58 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 50 L 7.72 5.06 0.00 1.54 1.42 0.87 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 51 G 7.91 3.89 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 0.00 0.00 0.00 52 I 7.69 4.85 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.91 0.89 0.00 0.00 53 Q 9.07 4.95 0.00 2.46 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.87 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 54 H 8.46 4.22 0.00 3.33 3.27 0.00 5.70 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 *57 K 8.36 4.65 0.00 1.79 1.87 0.00 1.59 0.00 0.00 2.32 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.39 7.81 58 R 8.08 4.35 0.00 1.77 1.85 0.00 3.29 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 59 A 7.71 4.30 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 60 S 8.63 4.36 0.00 4.02 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 61 Q 7.09 4.83 0.00 1.93 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.31 0.00 62 P 0.00 4.52 0.00 2.24 2.38 0.00 3.70 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 2.19 2.07 0.00 63 T 8.56 4.31 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 1.13 0.00 0.00 64 F 7.76 4.79 0.00 3.43 3.28 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 65 G 8.79 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.84 5.65 0.00 3.30 3.42 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 67 T 9.37 5.00 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 1.15 0.00 0.00 68 V 8.79 4.31 1.45 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 -0.96 0.00 0.00 0.66 0.00 0.00 69 N 7.83 4.54 0.00 2.55 2.56 0.00 0.00 7.26 9.26 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 70 W 7.30 4.39 0.00 3.13 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 0.00 0.00 0.00 0.00 71 K 8.92 4.29 0.00 1.96 1.95 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.58 7.81 72 F 7.57 4.93 0.00 3.19 3.17 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 73 S 7.11 4.45 0.00 3.88 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 74 E 8.65 4.32 0.00 1.96 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 2.25 2.21 0.00 75 S 7.97 4.86 0.00 4.03 4.02 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 76 T 8.61 4.78 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 1.18 0.00 0.00 77 T 8.16 5.19 4.49 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 1.10 0.00 0.00 78 V 8.90 5.01 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 0.82 0.00 0.00 0.95 0.00 0.00 79 F 9.08 5.50 0.00 1.51 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 80 T 8.71 5.37 4.12 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 1.21 0.00 0.00 81 G 6.72 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 82 Q 7.40 4.53 0.00 1.89 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.76 0.00 0.00 0.00 0.00 0.00 1.92 2.02 0.00 83 C 8.26 5.29 0.00 3.08 2.99 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 84 F 9.03 5.26 0.00 3.04 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.96 4.57 1.96 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 1.32 0.85 1.01 0.00 0.00 *89 G 8.69 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 90 K 8.84 4.29 0.00 1.78 1.77 0.00 1.84 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.55 7.81 91 E 8.92 5.40 0.00 2.31 2.21 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 2.53 2.37 0.00 92 V 8.38 5.09 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 0.99 0.00 0.00 1.12 0.00 0.00 93 L 9.19 5.00 0.00 1.82 1.90 -0.26 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 94 K 9.08 4.90 0.00 1.95 1.92 0.00 1.78 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.78 1.72 7.81 95 T 9.17 5.37 4.77 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 1.69 0.00 0.00 96 M 9.09 5.33 0.00 1.80 1.88 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 97 W 8.58 5.46 0.00 2.78 1.98 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 98 L 8.84 5.37 0.00 1.64 1.63 0.92 0.39 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 99 L 9.27 5.04 0.00 1.76 1.77 0.99 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 100 R 9.50 4.89 0.00 1.96 1.95 0.00 3.19 0.00 0.00 3.18 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 101 S 9.31 4.88 0.00 3.80 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.39 4.63 0.00 3.95 3.84 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 0.00 103 V 7.87 4.48 1.98 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 0.64 0.00 0.00 0.91 0.00 0.00 104 N 8.82 4.44 0.00 2.70 2.87 0.00 0.00 6.72 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 D 7.64 4.99 0.00 2.72 2.49 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 0.00 106 I 8.54 3.80 1.88 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 1.60 1.21 0.93 0.00 0.00 107 G 8.21 4.02 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 0.00 0.00 0.00 108 D 8.43 4.62 0.00 2.81 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 8.45 4.33 0.00 2.84 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 0.00 110 W 8.32 4.39 0.00 3.59 3.25 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 0.00 111 K 6.80 4.16 0.00 1.28 0.74 0.00 0.93 0.00 0.00 0.61 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.54 0.80 7.81 112 A 8.22 4.07 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 0.00 113 T 7.74 4.98 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 1.25 0.00 0.00 114 R 9.41 4.85 0.00 1.90 2.04 0.00 3.17 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 115 V 7.20 4.74 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 0.91 0.00 0.00 0.69 0.00 0.00 116 G 6.09 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 0.00 0.00 0.00 117 Y 7.96 5.26 0.00 3.08 2.85 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 0.00 118 N 8.82 5.01 0.00 3.14 2.74 0.00 0.00 7.21 8.37 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 0.00 119 I 8.84 5.30 2.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.17 1.05 0.00 0.00 120 F 9.53 5.51 0.00 2.86 2.94 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 0.00 0.00 0.00 121 T 9.14 5.51 4.41 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 1.39 0.00 0.00 122 R 8.83 4.06 0.00 1.51 1.53 0.00 3.06 0.00 0.00 2.76 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.92 0.00 123 L 8.11 4.18 0.00 1.68 1.46 0.93 0.74 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 * Residues marked with a * may have inaccurate shift predictions.