NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 23 K 4.2119 8.3149 119.9868 56.6854 33.9325 174.0945 24 L 4.5988 7.6769 117.7179 50.5182 45.0385 175.7638 25 T 4.1036 8.6564 113.7021 61.1975 71.6965 175.2566 26 A 3.9564 8.3827 122.9857 55.2163 18.3096 179.8212 27 K 3.9769 8.0142 117.6101 59.8059 32.3365 178.9381 28 Q 3.5577 7.8310 118.3007 58.7806 28.5159 178.7272 29 I 3.8266 7.7036 120.9009 64.3859 37.1324 178.1882 30 Q 4.1287 8.5006 120.2902 59.2535 28.8974 178.1489 31 A 4.2161 8.7374 121.9480 55.2755 18.4781 179.3817 32 A 3.8718 8.6160 119.2190 55.6527 18.4762 179.4698 33 Y 3.8522 8.1325 115.1840 61.0867 37.8865 178.7018 34 L 4.0679 8.3416 121.3083 58.1040 41.8750 178.9629 35 L 3.9756 8.1622 119.0620 57.7627 41.5248 179.7891 36 V 3.1873 7.5571 118.0727 65.8982 31.5557 177.6847 37 E 3.8479 8.2022 118.7397 59.7011 29.1081 178.9879 38 N 4.3251 8.1791 115.8100 56.2340 38.9813 175.8732 39 E 4.4233 7.3858 118.1474 56.8010 30.4750 176.6995 40 L 4.7794 7.8569 115.1856 54.2590 43.0158 175.8888 41 M 4.8706 8.0692 118.1813 54.7416 35.7966 174.7848 42 E 3.9936 8.5214 120.8280 55.6144 27.5022 174.4321 *46 E 4.1328 8.3224 115.5701 56.0447 30.4912 174.0045 47 E 4.7356 8.1529 117.3760 53.8377 32.5944 176.2176 48 K 4.2330 8.2435 119.1952 56.2948 32.7022 177.6063 49 R 4.3015 8.8850 120.9410 56.3331 30.7203 177.7347 50 T 4.3491 8.9630 112.5956 60.9718 71.2829 176.0288 51 Q 4.0252 8.5564 120.0928 59.3620 28.7147 179.0286 52 D 4.3582 8.0719 119.2043 57.4810 40.9681 178.5422 53 E 4.0107 8.2357 119.0488 59.6665 29.4103 179.3954 54 M 4.0954 8.3274 118.5814 58.2019 31.9381 178.4932 55 A 3.9731 8.1684 121.0036 55.3951 18.6013 179.4385 56 N 4.2531 8.1943 114.8275 56.5187 38.4022 177.3132 57 E 3.9955 8.0837 119.5586 59.1817 29.8076 178.4743 58 L 4.2785 8.1568 117.9318 54.9741 42.0459 176.9280 59 G 3.8855 7.9537 106.7549 46.7406 0.0000 173.3633 60 I 4.6085 7.7323 110.9984 57.5678 40.9468 175.5019 61 N 4.4005 8.2607 118.5790 53.2652 40.2431 176.4181 62 R 3.9153 8.6052 122.9507 59.9114 30.0933 179.5092 63 T 3.8095 7.7105 108.8712 64.8704 68.7753 176.7880 64 T 3.4434 7.4128 118.0906 66.1157 68.5171 176.1961 65 L 3.4915 7.3636 122.1898 57.6872 42.0674 178.7197 66 W 4.0435 8.3247 128.4431 60.4469 30.5419 177.4011 67 E 4.0506 8.5002 119.4168 59.2365 28.7190 178.8877 68 W 4.2576 8.0323 118.8777 59.9818 28.8121 178.8690 69 R 4.2346 8.1065 116.9770 58.6205 29.5096 178.1993 70 T 4.3350 7.7696 107.8993 61.8311 70.1167 175.3673 71 K 4.3864 8.3992 118.7068 55.9456 34.6173 175.5501 72 N 4.7297 7.8641 117.6679 52.2007 38.0805 175.2643 73 Q 4.0722 8.5650 126.3131 58.8016 28.8167 178.2499 74 D 4.3468 8.1626 119.6834 57.2102 40.8501 178.3487 75 F 4.1050 8.8898 121.4381 61.3259 39.4615 177.0424 76 I 3.5614 8.1120 119.2548 64.4546 37.0458 178.2819 77 A 3.9389 8.1591 121.5042 54.9868 18.1194 179.4388 78 F 3.9920 8.2693 119.2071 61.3327 39.4561 177.1125 79 K 3.2857 7.8265 119.4610 59.5310 31.7717 178.7945 80 S 3.9784 7.8700 115.2128 61.5555 62.7655 176.5615 81 E 3.8160 7.8196 121.0757 59.2110 29.1536 179.5284 82 V 3.2594 7.3609 118.2658 65.7135 31.4453 177.8420 83 A 3.8332 7.9978 120.8492 55.3148 18.1300 179.2197 84 D 4.2855 8.1290 117.3837 57.5612 40.8626 179.1763 85 S 4.0528 7.9095 113.3341 61.4780 62.2431 176.1382 86 F 3.9441 8.3493 119.2530 60.4211 38.9237 177.1908 87 L 4.0917 8.1627 119.7668 58.0529 41.7196 178.6212 88 A 3.9326 8.3126 121.2013 55.3277 18.0868 179.0596 89 E 3.9405 7.9620 115.8245 58.2815 30.0146 178.0820 90 K 4.2385 7.7143 117.3595 56.8365 32.0701 178.2145 91 R 3.5410 7.4572 121.5469 59.5943 29.9382 178.2835 92 E 3.9394 7.9311 116.3925 59.3615 29.3988 178.9346 93 Q 4.0046 7.9138 118.8093 58.6574 28.7722 178.4790 94 V 3.6114 7.6516 119.1458 66.3584 31.5807 177.6255 95 Y 4.4228 8.1201 116.5498 61.2481 37.6731 178.7099 96 S 4.1624 8.3624 114.0154 61.5011 62.5196 176.5015 97 K 4.0622 7.9710 121.2505 59.0729 31.8128 179.0114 98 L 3.9778 8.2982 120.9965 58.6953 41.9611 179.0792 99 M 4.1013 8.3336 118.5328 58.5218 31.8979 178.7931 100 Q 4.0008 8.2374 118.2397 58.9629 28.7586 178.8952 101 L 4.0610 8.0346 120.1169 57.6581 41.4003 179.6450 102 I 3.7121 7.5957 119.0072 63.8855 37.2422 177.6568 103 L 4.5353 7.9545 117.0628 54.6520 42.4742 177.0185 104 G 3.9493 7.8140 109.1483 43.7844 0.0000 172.6250 105 P 4.2248 0.0000 0.0000 64.9622 31.3906 176.7907 106 Q 4.5544 7.1098 117.5671 52.7181 28.1543 172.2896 107 P 4.4324 0.0000 0.0000 62.6844 32.3900 176.1893 108 S 4.4070 8.9687 119.0763 57.3252 62.6694 174.9608 109 V 3.6517 8.4112 128.1299 65.7808 31.3368 177.6702 110 K 3.9118 8.0758 118.9644 59.3820 32.0076 178.4984 111 A 4.0468 8.0324 121.0054 55.3576 18.2979 179.3782 112 M 4.0121 8.0803 117.3010 58.6205 31.9357 178.7602 113 Q 4.0038 8.3148 119.7509 59.2044 29.2781 178.2671 114 L 3.9577 8.0739 119.9899 57.9012 41.5450 178.7651 115 Y 3.9225 8.2913 119.5658 61.2226 38.6744 178.3528 116 M 4.2493 8.4335 119.4525 58.4892 32.0468 178.8306 117 Q 3.9564 8.4570 118.6286 58.7537 28.5858 178.5491 118 R 3.6088 7.6285 119.1368 58.5311 29.9372 177.5930 119 F 4.7294 7.0517 113.9957 55.8879 39.5840 175.6451 120 G 3.9585 7.7305 106.2741 46.7645 0.0000 175.2164 121 L 4.2928 8.3058 119.9906 55.2172 42.4100 177.2823 122 L 4.6792 7.7353 118.7043 53.1362 43.2015 175.7193 123 T 4.6707 8.3784 119.4667 61.6822 71.1791 173.1021 124 D 4.9798 8.5544 124.4770 52.4071 43.4159 175.7129 125 K 4.5777 8.4732 122.8224 54.7593 33.8607 176.0586 126 K 4.4618 8.3752 121.1095 54.5361 35.1623 175.9917 127 V 4.1318 8.3394 123.3854 61.2236 31.6671 174.6949 128 I 4.2764 8.1118 128.6367 60.2455 38.1330 175.5069 129 E 4.7429 8.6665 123.5386 55.3163 33.7186 174.7833 130 G 4.0190 8.6195 105.2113 44.3029 0.0000 172.7747 131 D 4.8224 8.3536 120.4165 52.0787 42.4835 175.3462 132 L 4.1847 8.1687 119.5703 56.2758 40.3360 175.6517 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 23 K 8.31 4.21 0.00 1.80 1.86 0.00 1.46 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.22 1.35 7.81 24 L 7.68 4.60 0.00 1.39 1.34 0.59 0.56 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 25 T 8.66 4.10 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 1.13 0.00 0.00 26 A 8.38 3.96 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 27 K 8.01 3.98 0.00 1.98 1.94 0.00 1.89 0.00 0.00 1.98 0.00 0.00 3.13 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.78 2.04 7.81 28 Q 7.83 3.56 0.00 1.96 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 29 I 7.70 3.83 2.04 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.55 1.20 0.00 0.00 30 Q 8.50 4.13 0.00 2.31 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 31 A 8.74 4.22 1.85 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 32 A 8.62 3.87 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 33 Y 8.13 3.85 0.00 3.36 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 34 L 8.34 4.07 0.00 1.96 1.92 1.03 0.62 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 35 L 8.16 3.98 0.00 2.03 1.68 1.08 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 36 V 7.56 3.19 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.66 0.00 0.00 37 E 8.20 3.85 0.00 2.24 2.06 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 0.00 2.62 2.52 0.00 38 N 8.18 4.33 0.00 2.85 2.96 0.00 0.00 7.21 7.37 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 39 E 7.39 4.42 0.00 1.89 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 2.23 2.42 0.00 40 L 7.86 4.78 0.00 1.65 1.77 0.88 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 41 M 8.07 4.87 0.00 2.11 2.20 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.98 3.10 0.00 42 E 8.52 3.99 0.00 2.08 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 2.16 2.22 0.00 *46 E 8.32 4.13 0.00 2.15 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 2.18 2.35 0.00 47 E 8.15 4.74 0.00 1.95 1.89 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 2.20 2.23 0.00 48 K 8.24 4.23 0.00 1.75 1.75 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.67 1.47 7.81 49 R 8.88 4.30 0.00 1.86 1.88 0.00 3.18 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.58 0.00 50 T 8.96 4.35 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 51 Q 8.56 4.03 0.00 2.14 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.94 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 52 D 8.07 4.36 0.00 2.77 2.72 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 53 E 8.24 4.01 0.00 2.27 2.01 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 2.34 2.36 0.00 54 M 8.33 4.10 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.59 0.00 55 A 8.17 3.97 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 56 N 8.19 4.25 0.00 2.94 2.88 0.00 0.00 6.71 7.20 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 57 E 8.08 4.00 0.00 2.10 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 0.00 2.36 2.38 0.00 58 L 8.16 4.28 0.00 1.86 1.81 1.06 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 59 G 7.95 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 60 I 7.73 4.61 1.55 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.60 0.89 0.00 0.00 61 N 8.26 4.40 0.00 2.61 2.68 0.00 0.00 6.85 7.66 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 62 R 8.61 3.92 0.00 1.78 1.98 0.00 3.14 0.00 0.00 3.58 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 63 T 7.71 3.81 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 1.07 0.00 0.00 64 T 7.41 3.44 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 0.08 0.00 0.00 65 L 7.36 3.49 0.00 1.58 1.74 0.98 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 66 W 8.32 4.04 0.00 3.51 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 67 E 8.50 4.05 0.00 2.21 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 2.40 2.56 0.00 68 W 8.03 4.26 0.00 2.94 1.80 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 69 R 8.11 4.23 0.00 1.81 1.93 0.00 3.20 0.00 0.00 3.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.90 0.00 70 T 7.77 4.34 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 0.54 0.00 0.00 71 K 8.40 4.39 0.00 1.94 1.92 0.00 1.88 0.00 0.00 1.89 0.00 0.00 3.04 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.40 1.38 7.81 72 N 7.86 4.73 0.00 2.83 3.02 0.00 0.00 7.03 6.99 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 73 Q 8.56 4.07 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.68 0.00 0.00 0.00 0.00 0.00 2.48 2.41 0.00 74 D 8.16 4.35 0.00 2.86 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 75 F 8.89 4.11 0.00 2.97 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 76 I 8.11 3.56 2.02 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 1.55 1.08 0.89 0.00 0.00 77 A 8.16 3.94 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 78 F 8.27 3.99 0.00 3.08 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 79 K 7.83 3.29 0.00 1.13 1.50 0.00 1.57 0.00 0.00 1.39 0.00 0.00 2.99 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.15 1.13 7.81 80 S 7.87 3.98 0.00 3.95 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 81 E 7.82 3.82 0.00 1.89 1.83 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 2.42 2.42 0.00 82 V 7.36 3.26 1.54 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 0.38 0.00 0.00 -0.44 0.00 0.00 83 A 8.00 3.83 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 84 D 8.13 4.29 0.00 2.81 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 85 S 7.91 4.05 0.00 3.91 4.07 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 0.00 0.00 0.00 0.00 86 F 8.35 3.94 0.00 2.92 3.13 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 0.00 0.00 0.00 0.00 87 L 8.16 4.09 0.00 1.86 1.80 0.91 1.25 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 88 A 8.31 3.93 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 89 E 7.96 3.94 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 2.23 2.35 0.00 90 K 7.71 4.24 0.00 1.85 1.78 0.00 1.76 0.00 0.00 1.56 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.75 1.59 7.81 91 R 7.46 3.54 0.00 1.76 1.65 0.00 2.88 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.99 0.00 92 E 7.93 3.94 0.00 2.23 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 0.00 2.35 2.35 0.00 93 Q 7.91 4.00 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.95 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 94 V 7.65 3.61 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 1.18 0.00 0.00 0.95 0.00 0.00 95 Y 8.12 4.42 0.00 3.19 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 96 S 8.36 4.16 0.00 4.06 4.07 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 0.00 0.00 0.00 0.00 97 K 7.97 4.06 0.00 1.92 1.87 0.00 1.78 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.71 1.61 7.81 98 L 8.30 3.98 0.00 1.95 1.97 0.99 1.34 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 99 M 8.33 4.10 0.00 2.08 2.26 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.90 0.00 100 Q 8.24 4.00 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 101 L 8.03 4.06 0.00 2.06 1.73 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 102 I 7.60 3.71 1.95 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 1.50 0.62 0.81 0.00 0.00 103 L 7.95 4.54 0.00 1.62 1.68 0.89 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 104 G 7.81 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 0.00 0.00 0.00 105 P 0.00 4.22 0.00 2.19 2.20 0.00 3.71 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 1.99 1.99 0.00 106 Q 7.11 4.55 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.82 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 107 P 0.00 4.43 0.00 2.02 2.21 0.00 3.66 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.22 0.00 108 S 8.97 4.41 0.00 3.84 3.75 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 0.00 109 V 8.41 3.65 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 1.06 0.00 0.00 0.93 0.00 0.00 110 K 8.08 3.91 0.00 1.91 1.80 0.00 1.77 0.00 0.00 1.83 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.58 7.81 111 A 8.03 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 0.00 112 M 8.08 4.01 0.00 2.11 2.31 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.51 0.00 113 Q 8.31 4.00 0.00 2.13 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.52 2.42 0.00 114 L 8.07 3.96 0.00 1.96 1.72 0.95 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 115 Y 8.29 3.92 0.00 3.12 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 0.00 116 M 8.43 4.25 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.95 2.76 0.00 117 Q 8.46 3.96 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 118 R 7.63 3.61 0.00 1.45 1.33 0.00 2.94 0.00 0.00 3.00 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.50 0.00 119 F 7.05 4.73 0.00 3.08 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 0.00 120 G 7.73 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 0.00 0.00 0.00 121 L 8.31 4.29 0.00 1.79 1.79 1.06 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 122 L 7.74 4.68 0.00 1.63 1.60 0.94 0.84 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 0.00 123 T 8.38 4.67 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 0.00 124 D 8.55 4.98 0.00 2.63 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 0.00 125 K 8.47 4.58 0.00 1.74 1.72 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.44 7.81 126 K 8.38 4.46 0.00 1.68 1.67 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.32 7.81 127 V 8.34 4.13 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 0.82 0.00 0.00 0.93 0.00 0.00 128 I 8.11 4.28 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 0.96 0.91 0.00 0.00 129 E 8.67 4.74 0.00 1.89 1.80 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 2.19 2.26 0.00 130 G 8.62 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 0.00 131 D 8.35 4.82 0.00 2.72 2.59 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 0.00 132 L 8.17 4.18 0.00 1.69 1.60 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.