NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2640 8.3044 120.2996 55.1077 34.2227 176.1738 2 D 4.5176 7.3676 121.8473 52.8769 39.2158 174.6251 3 F 4.9930 8.7303 120.7313 57.3317 41.1813 175.3941 4 R 4.8022 9.2049 119.1288 54.8377 34.5548 173.8857 5 I 4.8532 8.4847 122.0889 59.4211 40.8702 174.3602 6 G 4.3863 9.1416 114.6490 44.5773 0.0000 171.1604 7 Q 5.1689 8.5605 117.2462 54.3417 32.4619 174.0926 8 G 4.4902 9.2171 107.3948 44.9932 0.0000 170.6746 9 Y 5.4117 8.4908 121.1938 56.0117 42.0515 173.5795 10 D 4.6685 8.4032 124.1836 53.0592 45.4000 174.0736 11 V 4.7206 7.7423 121.3967 60.7607 34.4956 173.3834 12 H 5.0060 8.8498 118.7820 53.8583 33.4368 173.0351 13 Q 4.6248 8.7097 119.3976 56.0426 30.1837 175.0461 14 L 5.1598 8.4011 124.3238 53.6969 43.8899 175.8812 15 V 4.6673 8.8881 118.9975 58.9698 36.6375 173.1378 16 P 4.6272 0.0000 0.0000 63.8208 31.7739 177.0916 17 G 4.0324 9.6227 110.1055 45.0652 0.0000 173.4165 18 R 4.8803 7.4740 117.6822 53.2324 34.3911 173.0314 19 P 4.5851 0.0000 0.0000 62.7745 33.1913 175.2541 20 L 4.5251 8.5286 124.1337 54.4485 42.7990 175.4878 21 I 4.9354 8.2742 127.7607 59.4899 39.6027 174.9920 22 I 4.7295 8.2500 126.0971 60.5120 40.2754 175.9304 23 G 3.9942 9.9534 112.7403 46.5863 0.0000 175.0426 24 G 3.9668 8.8851 106.5701 45.1186 0.0000 174.3438 25 V 4.1473 7.4990 120.3895 61.3134 32.8063 174.6256 26 T 4.7312 8.3962 124.0361 63.1955 68.9478 173.9305 27 I 4.3746 8.4222 128.8417 58.5650 39.0005 174.0762 28 P 4.4326 0.0000 0.0000 63.3973 31.5756 175.1519 29 Y 4.6728 8.1383 122.6122 56.8450 41.1991 173.3515 30 E 4.1246 7.9139 122.3131 57.3320 30.2851 176.2457 31 R 4.8542 7.2528 117.4017 54.7689 34.5559 173.9697 32 G 4.6453 8.9978 107.2014 44.1320 0.0000 171.3020 33 L 5.0034 7.9577 119.6592 53.8177 42.7673 176.5665 34 L 4.6080 8.3794 125.5987 53.6006 43.5232 175.7284 35 G 4.1588 8.3156 113.5259 45.1943 0.0000 172.3616 36 H 4.3696 9.1280 115.9244 58.1656 28.4909 176.6590 37 S 4.8107 7.5734 116.0138 58.6545 63.2416 176.2338 38 D 4.3933 8.9426 126.9284 54.6432 39.5321 176.1276 39 A 3.3597 7.2045 119.5240 53.2265 16.6706 178.4232 40 D 4.7108 7.5640 121.3386 54.5065 40.3991 175.7188 41 V 3.9985 7.9593 121.7130 63.3417 31.7587 177.8588 42 L 3.9094 7.7828 119.5360 58.2518 42.1080 178.9155 43 L 4.0291 8.1152 118.9415 57.9267 41.4674 179.2361 44 H 4.2582 8.3497 116.1658 58.8337 28.6736 177.6797 45 A 4.0309 8.1217 122.5365 55.2212 18.2148 179.7865 46 I 3.6602 7.8634 118.3182 64.7121 37.1326 178.6915 47 T 3.6441 8.0120 116.6221 66.8395 68.2140 176.3850 48 D 4.5079 8.3435 120.4525 57.2871 40.7452 178.6486 49 A 4.2249 8.0580 122.6769 54.5039 18.4212 179.8113 50 L 3.8204 7.8795 117.4010 58.0505 41.7231 179.5869 51 F 4.5884 8.0731 117.8942 60.6549 38.8805 178.0792 52 G 3.5950 8.6142 105.4761 47.7609 0.0000 175.7069 53 A 4.2079 8.3079 123.5874 53.8557 18.4634 178.6337 54 A 3.1389 7.5883 115.8754 50.6553 19.5952 176.8100 55 A 3.6957 7.4452 119.4436 53.6651 16.5814 177.9253 56 L 4.5916 8.5914 117.5143 55.0639 43.4778 177.6193 57 G 3.9827 9.2294 106.9433 44.1438 0.0000 174.9597 58 D 4.8870 7.9007 124.7505 51.4336 42.0549 175.0667 59 I 3.9356 8.8216 113.3871 63.9730 37.5346 177.7799 60 G 3.6579 7.3530 109.6167 45.1090 0.0000 170.8086 *74 D 4.3194 7.9790 120.7029 54.4547 42.8499 175.2647 75 S 4.2702 8.8520 124.0963 61.4096 62.7684 176.9794 76 R 3.9170 8.0699 120.5992 59.1097 29.8684 178.5732 77 A 3.9960 8.8084 121.0435 55.1852 18.3058 179.7166 78 L 3.9852 7.9522 117.4446 57.7723 41.6569 179.5007 79 L 3.9134 8.0133 120.3873 58.1261 42.0211 179.2176 80 R 3.9041 8.2063 118.2432 59.1675 29.9966 178.6798 81 E 3.9278 8.3708 119.1578 59.2650 29.5834 178.0971 82 C 3.9038 8.4494 119.0204 62.6925 31.4975 175.5161 83 A 3.9143 8.0206 122.0329 55.1583 17.8947 179.5307 84 S 4.0620 8.1077 111.6054 61.6805 62.4941 176.6597 85 R 4.0175 8.2169 120.7894 59.2223 29.9107 179.2384 86 V 3.7189 8.2259 118.1141 65.9783 31.4853 177.9247 87 A 4.3402 8.1131 121.8564 54.9092 18.0195 179.6947 88 Q 3.9581 8.1987 115.2391 58.6722 28.8598 178.0161 89 A 4.3763 7.9388 119.6328 52.5990 18.4331 177.9622 90 G 3.6998 8.4374 106.6393 44.8234 0.0000 172.8105 91 F 5.1911 8.1234 116.7628 55.2741 42.4068 174.2349 92 A 4.8764 9.0820 123.7206 50.3025 21.7026 175.7908 93 I 4.2703 8.3480 122.0385 61.1979 37.7403 175.7362 94 R 4.5982 8.9851 126.3950 57.8232 31.6032 176.2012 95 N 5.0404 7.6566 113.2960 52.1629 40.7082 173.7006 96 V 5.0374 8.7013 112.5106 59.7360 35.8854 174.3454 97 D 5.4621 9.1867 123.0842 51.7972 44.9734 174.2717 98 S 5.1079 8.1689 115.5403 58.0020 66.5399 173.2121 99 T 4.9019 8.9074 116.8990 62.0907 72.7585 172.9387 100 I 4.6980 8.9057 127.1818 59.7908 39.8798 174.7094 101 I 4.8529 8.7395 127.9962 59.6709 39.0931 174.6044 102 A 4.8002 8.8283 129.1682 50.2211 21.8871 176.8423 103 Q 3.8361 9.0214 123.6702 58.8430 29.6003 175.7946 104 A 4.4184 7.2123 117.1579 50.3356 21.7747 173.9155 105 P 4.4948 0.0000 0.0000 61.2041 33.1313 175.8891 106 K 4.0735 8.3760 117.8218 56.8597 32.3158 177.1653 107 L 4.5523 8.3668 121.5411 54.9282 43.4758 178.2069 108 A 3.9614 8.1553 120.8860 54.9718 17.9034 177.5483 109 P 4.2773 0.0000 0.0000 64.7409 31.7470 177.2926 110 H 4.7915 8.1562 114.0548 55.7218 29.3172 176.6660 111 I 3.7093 7.5195 122.8044 64.4509 36.9048 177.7180 112 D 4.3364 8.1479 118.9597 57.4220 40.6932 178.6664 113 A 3.9842 7.9489 120.5655 55.3738 18.3800 179.3712 114 M 4.2548 7.9655 118.4736 58.1242 31.9805 179.1464 115 R 3.8813 8.2744 118.1464 59.2902 30.2610 179.0110 116 A 3.9890 8.2142 120.5600 55.1488 18.3529 179.4868 117 N 4.2879 8.2900 114.9798 56.4792 38.6216 177.7612 118 I 3.6670 7.9978 121.0979 64.3290 37.1569 178.3103 119 A 3.9662 8.3173 121.7046 55.0909 18.3158 179.5615 120 A 3.9129 8.1093 119.1685 55.5527 18.2910 179.6838 121 D 4.3570 8.0917 116.0891 56.7837 40.9592 178.0225 122 L 4.3487 7.9381 116.7285 53.3135 42.8478 175.5872 123 D 4.3484 7.6276 117.5034 55.4645 40.1084 172.8854 124 L 4.8178 7.7691 116.6273 51.8635 44.7765 175.5272 125 P 4.3329 0.0000 0.0000 62.5579 32.1996 177.2940 126 L 3.9433 8.7339 123.9785 58.3705 42.0142 178.1912 127 D 4.6020 8.0786 114.2246 54.4067 39.4969 176.3182 128 R 4.5724 8.1954 118.4722 56.0987 31.6263 175.3467 129 V 4.8256 7.7786 119.5954 60.9947 33.7824 174.3101 130 N 5.1180 9.0807 125.6687 51.7769 42.5131 172.9681 131 V 4.8303 8.2931 123.8259 59.9470 34.5780 174.4892 132 K 4.8545 9.0122 125.9629 54.5032 35.8234 174.8445 133 A 5.2540 8.4733 123.0203 50.2561 22.0145 175.6480 134 K 4.7528 9.0095 120.0051 54.8028 36.8233 176.4436 135 T 4.9063 8.4153 113.3669 60.0685 70.9880 173.6143 136 N 4.7547 8.6624 116.6265 52.8241 39.0204 174.1408 137 E 3.9204 8.8447 113.4106 56.9923 27.6556 175.8063 138 K 4.2050 8.2014 113.3143 57.0089 30.6628 176.0771 139 L 4.3100 7.9118 120.2532 54.3469 42.9721 178.1203 140 G 4.0626 8.5518 112.1440 44.9159 0.0000 173.3756 141 Y 4.3585 8.1320 115.9295 60.1500 37.6056 178.4152 142 L 4.2520 7.1116 120.3601 57.6950 41.4686 179.6036 143 G 3.6970 8.1911 105.2193 47.0009 0.0000 174.8392 144 R 4.5632 7.8573 118.3914 55.4202 30.2763 176.6524 145 G 3.9570 7.8220 106.6122 46.7153 0.0000 174.7969 146 E 4.3771 8.4588 119.7741 56.8074 30.1518 175.7740 147 G 4.4310 7.5528 103.9035 45.6519 0.0000 172.5370 148 I 4.9420 8.5587 120.0558 59.3285 40.8118 174.7105 149 E 5.0669 8.8120 126.3629 54.4312 32.6403 174.3622 150 A 5.2268 8.7063 125.6617 50.3034 22.9008 175.0153 151 Q 5.2940 9.1196 119.0128 54.2632 32.7957 174.5856 152 A 5.2287 9.0161 122.2725 50.5771 23.4249 174.8989 153 A 5.1829 9.1697 120.3068 50.2074 22.9432 175.2537 154 A 5.0498 9.0231 121.8220 50.0713 23.1847 174.6574 155 L 5.1265 8.7392 123.1077 53.4328 44.7984 175.8016 156 V 5.2183 8.8912 118.5243 59.6113 36.5536 174.6575 157 V 4.7810 8.8027 120.3054 60.2470 34.8384 175.4426 158 R 4.4531 8.6862 123.2953 55.7824 29.5187 175.8278 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 M 8.30 4.26 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.52 0.00 2 D 7.37 4.52 0.00 2.84 2.48 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 3 F 8.73 4.99 0.00 3.04 2.98 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 4 R 9.20 4.80 0.00 1.61 1.75 0.00 3.31 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 5 I 8.48 4.85 1.88 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 1.28 1.46 0.92 0.00 0.00 6 G 9.14 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 7 Q 8.56 5.17 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 8 G 9.22 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 0.00 0.00 0.00 0.00 9 Y 8.49 5.41 0.00 2.90 2.77 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 0.00 10 D 8.40 4.67 0.00 2.76 2.46 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 11 V 7.74 4.72 1.90 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 0.75 0.00 0.00 1.06 0.00 0.00 12 H 8.85 5.01 0.00 3.08 3.28 0.00 5.62 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 13 Q 8.71 4.62 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 14 L 8.40 5.16 0.00 1.67 1.61 1.01 0.89 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 15 V 8.89 4.67 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 0.68 0.00 0.00 0.94 0.00 0.00 16 P 0.00 4.63 0.00 1.92 1.95 0.00 3.63 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 2.01 2.06 0.00 17 G 9.62 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 18 R 7.47 4.88 0.00 1.70 1.77 0.00 3.29 0.00 0.00 3.39 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 19 P 0.00 4.59 0.00 2.11 2.18 0.00 3.68 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 2.07 1.96 0.00 20 L 8.53 4.53 0.00 2.11 1.84 0.92 0.79 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 21 I 8.27 4.94 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.84 0.88 0.00 0.00 22 I 8.25 4.73 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.81 0.87 0.00 0.00 23 G 9.95 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 24 G 8.89 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 25 V 7.50 4.15 2.17 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 0.95 0.00 0.00 1.01 0.00 0.00 26 T 8.40 4.73 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 1.21 0.00 0.00 27 I 8.42 4.37 1.80 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 0.99 0.62 0.79 0.00 0.00 28 P 0.00 4.43 0.00 2.13 2.11 0.00 3.79 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.01 0.00 29 Y 8.14 4.67 0.00 2.78 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 30 E 7.91 4.12 0.00 1.92 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 1.50 1.97 0.00 31 R 7.25 4.85 0.00 1.82 2.00 0.00 3.25 0.00 0.00 3.43 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.43 0.00 32 G 9.00 4.65 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 33 L 7.96 5.00 0.00 1.51 1.57 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.38 4.61 0.00 1.63 1.67 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.32 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 H 9.13 4.37 0.00 3.13 3.41 0.00 5.66 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 37 S 7.57 4.81 0.00 3.87 3.40 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 38 D 8.94 4.39 0.00 2.74 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 39 A 7.20 3.36 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 40 D 7.56 4.71 0.00 2.74 2.44 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 0.00 0.00 0.00 0.00 41 V 7.96 4.00 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 1.32 0.00 0.00 0.89 0.00 0.00 42 L 7.78 3.91 0.00 1.71 1.76 0.90 0.64 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 43 L 8.12 4.03 0.00 1.71 1.69 0.94 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 44 H 8.35 4.26 0.00 3.43 3.35 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.12 4.03 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 46 I 7.86 3.66 1.84 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 1.50 0.78 0.86 0.00 0.00 47 T 8.01 3.64 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 1.08 0.00 0.00 48 D 8.34 4.51 0.00 2.91 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 49 A 8.06 4.22 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 50 L 7.88 3.82 0.00 1.61 1.52 0.80 0.97 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 51 F 8.07 4.59 0.00 3.06 3.07 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 52 G 8.61 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.31 4.21 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 54 A 7.59 3.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.45 3.70 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 56 L 8.59 4.59 0.00 1.78 1.64 1.15 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 57 G 9.23 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 0.00 0.00 0.00 58 D 7.90 4.89 0.00 2.91 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 59 I 8.82 3.94 1.93 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.52 1.16 0.00 0.00 60 G 7.35 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 *74 D 7.98 4.32 0.00 2.75 2.63 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 0.00 0.00 0.00 0.00 75 S 8.85 4.27 0.00 3.91 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 76 R 8.07 3.92 0.00 2.05 2.04 0.00 3.12 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.68 0.00 77 A 8.81 4.00 1.38 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 0.00 0.00 0.00 78 L 7.95 3.99 0.00 1.94 1.78 0.96 0.53 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 79 L 8.01 3.91 0.00 1.82 1.78 0.84 0.80 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 80 R 8.21 3.90 0.00 2.04 1.96 0.00 3.18 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.81 0.00 81 E 8.37 3.93 0.00 2.19 2.14 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 2.36 2.45 0.00 82 C 8.45 3.90 0.00 2.61 2.98 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 83 A 8.02 3.91 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 84 S 8.11 4.06 0.00 3.94 4.08 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 85 R 8.22 4.02 0.00 2.28 2.16 0.00 3.42 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 86 V 8.23 3.72 2.23 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 1.08 0.00 0.00 0.95 0.00 0.00 87 A 8.11 4.34 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 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.20 3.96 0.00 2.26 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.90 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 89 A 7.94 4.38 1.62 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 0.00 0.00 90 G 8.44 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 91 F 8.12 5.19 0.00 3.12 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 92 A 9.08 4.88 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 93 I 8.35 4.27 1.88 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 1.34 0.62 0.91 0.00 0.00 94 R 8.99 4.60 0.00 1.90 2.06 0.00 3.48 0.00 0.00 3.36 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.01 0.00 95 N 7.66 5.04 0.00 2.87 2.87 0.00 0.00 5.97 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 96 V 8.70 5.04 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 0.75 0.00 0.00 0.92 0.00 0.00 97 D 9.19 5.46 0.00 2.74 2.44 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 0.00 0.00 0.00 0.00 98 S 8.17 5.11 0.00 3.97 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 99 T 8.91 4.90 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 1.21 0.00 0.00 100 I 8.91 4.70 1.84 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 1.20 0.72 0.87 0.00 0.00 101 I 8.74 4.85 1.86 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 1.16 1.09 0.91 0.00 0.00 102 A 8.83 4.80 1.11 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 0.00 0.00 103 Q 9.02 3.84 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.67 0.00 0.00 0.00 0.00 0.00 2.54 2.42 0.00 104 A 7.21 4.42 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 0.00 105 P 0.00 4.49 0.00 2.11 1.90 0.00 3.24 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.60 0.00 106 K 8.38 4.07 0.00 1.76 1.78 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.40 7.81 107 L 8.37 4.55 0.00 1.66 1.67 0.87 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.16 3.96 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 0.00 109 P 0.00 4.28 0.00 1.71 2.01 0.00 3.54 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.11 0.00 110 H 8.16 4.79 0.00 3.34 3.29 0.00 5.82 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.52 3.71 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.96 0.90 0.00 0.00 112 D 8.15 4.34 0.00 2.67 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 0.00 113 A 7.95 3.98 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 0.00 114 M 7.97 4.25 0.00 2.08 2.23 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.59 0.00 115 R 8.27 3.88 0.00 1.98 1.98 0.00 3.12 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 116 A 8.21 3.99 1.38 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 0.00 0.00 0.00 117 N 8.29 4.29 0.00 2.98 2.87 0.00 0.00 7.04 6.96 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 0.00 118 I 8.00 3.67 1.86 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 1.43 0.68 0.89 0.00 0.00 119 A 8.32 3.97 1.39 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 0.00 120 A 8.11 3.91 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 0.00 121 D 8.09 4.36 0.00 2.77 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 0.00 122 L 7.94 4.35 0.00 1.65 1.68 0.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 123 D 7.63 4.35 0.00 2.78 2.67 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 0.00 0.00 0.00 124 L 7.77 4.82 0.00 1.64 1.54 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.33 0.00 2.29 1.98 0.00 3.62 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 126 L 8.73 3.94 0.00 1.71 1.68 0.92 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 127 D 8.08 4.60 0.00 2.80 2.76 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 0.00 128 R 8.20 4.57 0.00 1.93 2.09 0.00 3.07 0.00 0.00 3.30 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 129 V 7.78 4.83 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 0.73 0.00 0.00 0.92 0.00 0.00 130 N 9.08 5.12 0.00 2.84 2.77 0.00 0.00 6.19 7.16 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 0.00 131 V 8.29 4.83 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 1.18 0.00 0.00 0.92 0.00 0.00 132 K 9.01 4.85 0.00 1.78 1.64 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.47 7.81 133 A 8.47 5.25 1.15 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 0.00 0.00 134 K 9.01 4.75 0.00 1.60 1.63 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.49 7.81 135 T 8.42 4.91 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 1.19 0.00 0.00 136 N 8.66 4.75 0.00 2.75 2.71 0.00 0.00 7.00 7.65 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 0.00 137 E 8.84 3.92 0.00 2.11 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 2.24 2.39 0.00 138 K 8.20 4.20 0.00 1.94 1.96 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.50 7.81 139 L 7.91 4.31 0.00 1.79 1.52 0.90 0.71 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 0.00 140 G 8.55 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 141 Y 8.13 4.36 0.00 3.24 3.26 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 0.00 142 L 7.11 4.25 0.00 1.52 1.69 0.87 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 143 G 8.19 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 0.00 144 R 7.86 4.56 0.00 1.87 2.01 0.00 3.28 0.00 0.00 3.25 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 145 G 7.82 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 0.00 146 E 8.46 4.38 0.00 2.35 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 2.33 2.31 0.00 147 G 7.55 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 0.00 0.00 0.00 0.00 148 I 8.56 4.94 1.87 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.22 0.95 0.00 0.00 149 E 8.81 5.07 0.00 2.10 1.78 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 2.17 2.13 0.00 150 A 8.71 5.23 1.18 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 0.00 0.00 151 Q 9.12 5.29 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.63 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 152 A 9.02 5.23 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 0.00 153 A 9.17 5.18 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 0.00 154 A 9.02 5.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 L 8.74 5.13 0.00 1.78 1.66 1.03 0.67 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 0.00 156 V 8.89 5.22 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 0.65 0.00 0.00 0.74 0.00 0.00 157 V 8.80 4.78 1.79 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 0.84 0.00 0.00 0.24 0.00 0.00 158 R 8.69 4.45 0.00 1.76 1.84 0.00 2.83 0.00 0.00 2.85 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.93 0.00 * Residues marked with a * may have inaccurate shift predictions.