NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.3569 8.1127 119.0743 56.3105 32.2837 177.3308 5 L 3.8424 7.8450 119.9004 56.9655 42.1407 177.0075 6 K 4.0165 9.0018 120.4167 60.1290 32.5335 178.1888 7 T 3.9006 7.9207 115.2193 66.5144 68.0793 176.4033 8 A 4.1454 7.6796 122.1999 54.7758 18.3866 179.9595 9 V 3.6761 7.9774 117.2005 66.3129 31.6945 177.9508 10 Y 3.9327 8.3965 116.4664 61.3679 37.6519 178.1351 11 D 4.5580 8.0104 117.6884 57.0519 40.9015 177.9823 12 Y 4.4161 7.5740 119.0037 60.0778 39.1607 176.9250 13 L 3.7216 7.5411 118.5347 56.9442 42.1580 177.7603 14 N 4.5707 7.1339 113.9894 52.5660 39.3880 174.5687 15 D 4.4034 8.3104 121.2517 53.8019 41.4801 175.9949 *25 D 4.5440 8.2524 123.9504 54.6028 42.3556 173.7206 26 L 4.5910 8.1726 115.5426 55.7252 47.3171 177.5860 27 L 3.8668 8.2901 119.9452 58.7929 41.7643 178.4924 28 C 3.8659 8.1027 117.5429 62.6177 31.4974 175.4845 29 Q 3.9615 7.9009 119.2064 58.6728 28.2872 178.3485 30 L 3.8134 8.3992 121.6918 58.0824 42.2202 178.5355 31 S 3.9076 8.7394 114.3430 61.7206 62.1241 176.0784 32 N 4.3625 8.2564 118.7613 56.4184 38.3223 176.4737 33 C 4.2639 8.2302 119.8341 60.0695 41.9441 175.5335 34 C 4.1308 8.3927 118.5446 62.8226 27.6018 175.5255 35 D 4.4602 8.2516 120.5710 57.5385 40.4200 178.9668 36 F 4.1451 8.1105 120.4739 61.3361 39.4830 176.9827 37 I 3.4276 7.6957 119.3756 64.6235 36.7628 177.7716 38 N 4.6802 8.6306 116.4187 56.7724 38.7033 176.1841 39 E 4.0783 7.5893 119.8712 59.3694 29.9364 178.4686 40 T 3.8968 7.3836 108.2380 63.8640 69.2015 175.3554 41 Y 3.9066 7.9948 118.1596 57.4401 37.9097 176.8124 42 A 4.0499 7.7425 124.1618 55.4367 18.2338 180.0259 43 K 3.9313 7.8328 117.3508 59.5741 32.3598 178.7369 44 N 4.3228 7.8745 116.3778 56.5043 38.3360 176.8331 45 Y 4.1013 7.9610 118.2471 61.1342 37.7602 178.2480 46 D 4.6359 8.5330 120.2174 57.8508 40.9715 179.1320 47 T 3.8893 7.5420 116.1479 66.5609 68.2042 176.8212 48 L 3.9482 7.4087 119.8451 57.9882 41.7512 178.5775 49 Y 4.5588 7.4791 115.8711 61.3424 37.8113 178.5273 50 D 4.6153 7.7899 119.1724 57.1898 41.1281 180.7082 51 I 3.9056 7.3192 111.3566 61.0401 37.8859 176.8365 *53 E 4.4105 8.1563 121.8026 57.3953 31.5139 177.8701 54 R 3.9850 7.8653 117.1190 59.1854 30.0199 178.7351 55 D 4.3539 8.0261 118.3199 57.3497 40.9546 178.3659 56 I 3.6803 7.7901 119.7241 64.5642 36.9616 177.8888 57 L 4.0401 7.9719 119.0241 57.8435 41.6508 179.1203 58 S 4.5953 7.7532 109.8221 57.2698 63.4549 173.1029 59 Y 3.5042 8.2881 122.0149 58.9864 38.1222 171.4959 60 N 4.6670 8.2541 115.6736 52.1068 35.5263 173.8573 61 I 3.4812 7.2821 126.0473 64.1124 37.7350 177.6923 62 V 3.5241 7.7172 118.4167 66.1685 31.1737 177.4826 63 N 4.2892 8.1300 116.4578 56.6803 38.8155 176.7915 64 I 3.6993 7.6623 121.1597 64.4099 37.1484 178.4777 65 K 4.1005 8.6045 119.5117 59.6653 31.8615 179.1012 66 N 4.3667 8.3344 116.6578 56.5787 38.3805 177.5463 67 T 3.8697 8.1788 117.2397 66.6828 68.6187 176.6501 68 L 3.9940 7.9126 120.7132 58.0814 41.4391 179.5851 69 T 3.8817 7.9011 114.4992 66.7169 68.7941 175.9094 70 F 4.0956 8.4890 122.2008 61.3954 39.1888 176.9637 71 A 4.1796 8.3786 119.3953 54.9950 18.2331 178.6977 72 L 4.2584 7.6140 114.5456 54.1280 42.0896 177.5402 73 R 3.6237 7.4531 119.7952 58.4333 30.7938 177.6338 74 D 4.1278 7.9948 120.0946 54.3530 37.9026 173.0379 75 A 4.5811 7.2722 126.6842 50.8220 21.4211 178.0655 76 S 4.3028 8.2450 117.4390 57.3767 65.2395 173.6809 77 P 4.0525 0.0000 0.0000 65.7543 30.9096 178.9387 78 S 2.8553 7.1710 112.1991 61.1040 62.6455 176.6036 79 V 3.4205 7.0241 121.6478 65.4866 31.2914 177.9602 80 K 3.8152 8.0890 118.3882 59.4359 31.8452 179.0380 81 L 4.0753 7.6201 118.4762 56.9863 41.9457 178.7584 82 A 3.8790 7.9391 122.5164 54.7925 18.1124 179.9306 83 T 3.7436 8.1362 114.2573 66.5527 68.4956 176.6799 84 L 3.8983 7.8825 122.2148 58.6537 41.8068 179.1715 85 T 3.9896 8.4602 115.8805 66.4220 68.3216 176.4667 86 L 3.3544 7.5035 121.9379 57.8901 42.0827 178.5417 87 L 3.6293 8.0470 120.4755 57.9890 41.6995 178.5890 88 A 3.7331 7.9801 120.6177 55.3938 18.2869 179.8391 89 S 3.9395 7.4760 111.9162 61.8959 62.9664 177.4982 90 V 3.6420 7.7965 114.6314 63.9173 31.1523 178.7957 91 I 3.7262 7.7448 120.3594 63.9986 36.8089 178.1640 92 K 3.8505 7.5562 120.6610 59.5720 31.8198 179.0949 93 K 4.0832 7.8464 117.4482 59.1811 32.1241 179.1330 94 L 4.2887 8.0570 119.5994 57.7741 41.2992 179.0819 95 N 4.8009 8.3373 117.8648 55.6661 38.2151 177.3612 96 K 3.9450 7.6398 117.3744 58.4434 32.0762 178.2415 97 I 4.2217 7.4060 119.1744 61.6405 38.9387 175.9132 98 Q 4.2725 7.2234 117.2150 54.7373 32.3211 172.5119 99 H 4.3282 8.8510 123.7906 56.4482 30.0873 174.4077 100 T 4.5612 8.1361 122.0873 62.0823 71.0173 173.5170 101 D 4.7288 8.6371 126.2074 53.0598 42.0593 176.8659 102 A 4.0526 8.5350 122.9321 55.1709 19.1131 179.4211 103 A 4.5014 7.8530 120.9848 52.3964 17.0679 178.3770 *105 F 4.6471 7.8666 117.5903 57.1665 41.4470 177.6758 106 S 4.2113 8.1164 118.7335 62.1116 62.1519 176.2353 107 E 3.9945 8.2249 121.1214 58.6796 29.5636 178.6791 108 V 3.7520 7.6763 117.6806 66.1790 31.8182 177.6737 109 I 3.6938 8.2058 119.9604 64.8840 36.7139 178.0959 110 D 4.5187 8.7149 118.9621 57.2095 41.0137 178.7663 111 G 3.7287 8.1233 106.5052 47.4689 0.0000 176.1066 112 I 3.7907 7.4886 120.7695 64.4802 37.5379 177.6103 113 V 3.8354 8.2216 111.5466 62.1669 31.4803 178.0291 114 A 3.8114 6.9651 121.0049 55.4970 18.5246 178.8195 115 E 4.4564 7.8075 114.2200 54.9564 29.8359 176.6977 116 E 3.8539 7.5991 115.7603 58.1681 30.3133 176.3953 117 Q 3.4606 8.5543 120.2118 54.2139 25.5656 173.2836 118 Q 5.6582 8.0564 132.0120 57.0602 28.1857 175.6320 119 V 3.6469 7.0658 117.1480 66.1493 31.4571 178.0892 120 I 3.8790 7.8617 119.2755 64.2482 37.0844 178.4348 121 G 3.6880 8.1795 106.0957 47.5657 0.0000 175.2410 122 F 4.1472 8.1451 122.8676 61.0459 39.2596 177.6099 123 I 3.6205 7.6559 118.6214 63.6123 36.8829 177.5537 124 Q 4.2265 7.6680 117.6749 58.0609 29.6902 177.2267 125 K 3.5172 7.7614 119.5671 58.2431 32.1126 179.1117 126 K 3.5399 6.9911 118.9605 59.3157 32.5284 179.7546 127 C 3.8449 7.0164 118.9120 59.3654 44.6456 175.3461 128 K 3.7017 7.5963 120.4970 59.7790 31.6527 178.0309 129 Y 4.2849 7.6436 116.7212 61.3351 37.8453 178.3522 130 N 4.3664 8.7521 118.0329 56.7084 38.6500 177.6736 131 T 2.9209 7.8127 117.4063 66.5986 67.9939 177.0376 132 T 3.9433 8.0284 117.7471 66.4321 68.1833 176.2722 133 Y 3.9534 8.1001 121.3016 60.9222 39.1763 177.2926 134 Y 4.2914 8.3172 120.4499 60.8489 38.7770 177.3642 135 N 4.6211 8.2849 116.1205 55.6062 38.8180 176.9307 136 V 3.9202 7.2394 111.0675 61.9676 31.9401 176.6228 137 R 4.2993 7.5277 117.2027 56.0489 31.5097 176.5017 138 S 4.2225 7.6817 117.9107 58.4636 63.4059 173.6811 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 R 8.11 4.36 0.00 1.75 2.00 0.00 3.22 0.00 0.00 3.33 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.20 0.00 5 L 7.85 3.84 0.00 1.84 1.71 0.93 0.17 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 6 K 9.00 4.02 0.00 1.92 1.84 0.00 1.88 0.00 0.00 1.87 0.00 0.00 3.07 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.64 1.81 7.81 7 T 7.92 3.90 4.35 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 1.20 0.00 0.00 8 A 7.68 4.15 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 9 V 7.98 3.68 2.39 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 1.05 0.00 0.00 1.00 0.00 0.00 10 Y 8.40 3.93 0.00 3.08 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 11 D 8.01 4.56 0.00 2.88 2.84 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 12 Y 7.57 4.42 0.00 2.94 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 13 L 7.54 3.72 0.00 1.70 1.57 0.71 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 14 N 7.13 4.57 0.00 2.75 2.75 0.00 0.00 7.14 8.21 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 15 D 8.31 4.40 0.00 2.64 2.60 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 *25 D 8.25 4.54 0.00 2.68 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 26 L 8.17 4.59 0.00 1.66 1.57 0.91 0.44 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 27 L 8.29 3.87 0.00 1.77 1.81 0.97 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 28 C 8.10 3.87 0.00 3.04 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 29 Q 7.90 3.96 0.00 2.28 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.70 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 30 L 8.40 3.81 0.00 1.69 1.68 0.85 0.35 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 31 S 8.74 3.91 0.00 3.91 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 32 N 8.26 4.36 0.00 2.95 2.86 0.00 0.00 6.71 7.25 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 33 C 8.23 4.26 0.00 3.06 3.21 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 34 C 8.39 4.13 0.00 3.05 3.06 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 35 D 8.25 4.46 0.00 3.07 2.82 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 0.00 0.00 0.00 36 F 8.11 4.15 0.00 3.05 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 37 I 7.70 3.43 2.06 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 1.55 0.67 0.76 0.00 0.00 38 N 8.63 4.68 0.00 2.88 3.11 0.00 0.00 7.28 8.13 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 39 E 7.59 4.08 0.00 2.10 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 2.32 2.33 0.00 40 T 7.38 3.90 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 0.30 0.00 0.00 41 Y 7.99 3.91 0.00 2.64 1.61 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 42 A 7.74 4.05 1.42 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 0.00 0.00 43 K 7.83 3.93 0.00 1.81 1.75 0.00 1.61 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.58 7.81 44 N 7.87 4.32 0.00 2.82 2.85 0.00 0.00 7.15 7.48 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 45 Y 7.96 4.10 0.00 3.02 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 46 D 8.53 4.64 0.00 2.85 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 47 T 7.54 3.89 4.42 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 1.20 0.00 0.00 48 L 7.41 3.95 0.00 1.53 1.55 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 7.48 4.56 0.00 3.08 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 50 D 7.79 4.62 0.00 2.94 2.75 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 51 I 7.32 3.91 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 1.45 0.58 0.94 0.00 0.00 *53 E 8.16 4.41 0.00 2.27 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 0.00 2.29 2.36 0.00 54 R 7.87 3.99 0.00 1.87 1.97 0.00 3.36 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 1.73 1.67 0.00 55 D 8.03 4.35 0.00 2.69 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 56 I 7.79 3.68 2.06 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 1.65 0.54 0.94 0.00 0.00 57 L 7.97 4.04 0.00 1.79 1.79 0.93 0.83 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 58 S 7.75 4.60 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 59 Y 8.29 3.50 0.00 3.01 3.09 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 60 N 8.25 4.67 0.00 2.76 2.68 0.00 0.00 7.26 7.44 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 61 I 7.28 3.48 1.64 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.13 0.49 0.00 0.00 62 V 7.72 3.52 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 1.01 0.00 0.00 0.89 0.00 0.00 63 N 8.13 4.29 0.00 2.92 2.77 0.00 0.00 7.26 8.44 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 64 I 7.66 3.70 2.09 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 1.52 0.63 0.98 0.00 0.00 65 K 8.60 4.10 0.00 2.04 1.89 0.00 1.15 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.68 7.81 66 N 8.33 4.37 0.00 2.92 2.89 0.00 0.00 7.08 6.63 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 67 T 8.18 3.87 4.37 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 1.19 0.00 0.00 68 L 7.91 3.99 0.00 1.87 1.70 0.78 0.72 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 69 T 7.90 3.88 4.44 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 1.23 0.00 0.00 70 F 8.49 4.10 0.00 3.25 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 71 A 8.38 4.18 1.42 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 0.00 0.00 72 L 7.61 4.26 0.00 1.81 1.68 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 73 R 7.45 3.62 0.00 1.69 1.67 0.00 2.33 0.00 0.00 2.88 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.35 0.00 74 D 7.99 4.13 0.00 2.79 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 75 A 7.27 4.58 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 76 S 8.25 4.30 0.00 3.94 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 77 P 0.00 4.05 0.00 1.87 2.19 0.00 3.48 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 2.10 2.11 0.00 78 S 7.17 2.86 0.00 3.75 3.55 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 79 V 7.02 3.42 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 1.04 0.00 0.00 0.87 0.00 0.00 80 K 8.09 3.82 0.00 1.91 1.79 0.00 1.74 0.00 0.00 1.67 0.00 0.00 3.20 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.42 7.81 81 L 7.62 4.08 0.00 1.64 1.73 1.10 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 82 A 7.94 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.14 3.74 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 1.15 0.00 0.00 84 L 7.88 3.90 0.00 1.75 1.80 0.98 0.57 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 85 T 8.46 3.99 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 86 L 7.50 3.35 0.00 1.22 1.62 0.43 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 87 L 8.05 3.63 0.00 1.52 1.67 -0.18 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 88 A 7.98 3.73 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 89 S 7.48 3.94 0.00 3.96 3.78 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 90 V 7.80 3.64 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 0.93 0.00 0.00 0.72 0.00 0.00 91 I 7.74 3.73 1.88 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.42 0.90 0.00 0.00 92 K 7.56 3.85 0.00 1.70 1.78 0.00 1.44 0.00 0.00 1.54 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.46 7.81 93 K 7.85 4.08 0.00 1.71 1.77 0.00 1.12 0.00 0.00 1.48 0.00 0.00 2.78 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.27 1.52 7.81 94 L 8.06 4.29 0.00 2.01 1.94 1.01 0.54 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 95 N 8.34 4.80 0.00 2.97 2.84 0.00 0.00 6.71 7.24 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 96 K 7.64 3.95 0.00 1.97 1.86 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.58 7.81 97 I 7.41 4.22 2.16 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 1.45 0.91 0.90 0.00 0.00 98 Q 7.22 4.27 0.00 1.24 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.90 0.00 0.00 0.00 0.00 0.00 1.67 2.03 0.00 99 H 8.85 4.33 0.00 3.15 3.22 0.00 5.55 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 T 8.14 4.56 4.36 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 1.47 0.00 0.00 101 D 8.64 4.73 0.00 2.74 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 0.00 102 A 8.53 4.05 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 0.00 103 A 7.85 4.50 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 0.00 0.00 0.00 0.00 0.00 0.00 *105 F 7.87 4.65 0.00 3.19 3.01 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 0.00 0.00 0.00 106 S 8.12 4.21 0.00 4.19 4.36 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 0.00 107 E 8.22 3.99 0.00 1.98 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 2.31 2.46 0.00 108 V 7.68 3.75 2.37 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 1.00 0.00 0.00 1.07 0.00 0.00 109 I 8.21 3.69 2.03 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.43 0.96 0.00 0.00 110 D 8.71 4.52 0.00 2.83 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 0.00 111 G 8.12 3.73 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 0.00 0.00 0.00 112 I 7.49 3.79 2.03 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.55 0.90 0.00 0.00 113 V 8.22 3.84 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 0.89 0.00 0.00 1.05 0.00 0.00 114 A 6.97 3.81 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 0.00 115 E 7.81 4.46 0.00 1.99 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 0.00 2.35 2.21 0.00 116 E 7.60 3.85 0.00 2.10 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 0.00 2.33 2.47 0.00 117 Q 8.55 3.46 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.29 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 118 Q 8.06 5.66 0.00 2.19 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.91 0.00 0.00 0.00 0.00 0.00 2.20 2.08 0.00 119 V 7.07 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 0.99 0.00 0.00 0.95 0.00 0.00 120 I 7.86 3.88 1.88 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 1.58 0.48 0.97 0.00 0.00 121 G 8.18 3.69 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 0.00 0.00 0.00 122 F 8.15 4.15 0.00 3.26 3.24 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 0.00 123 I 7.66 3.62 1.96 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 1.56 0.90 0.88 0.00 0.00 124 Q 7.67 4.23 0.00 1.95 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.94 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 125 K 7.76 3.52 0.00 1.80 1.32 0.00 1.58 0.00 0.00 1.54 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.28 1.21 7.81 126 K 6.99 3.54 0.00 1.60 1.41 0.00 1.84 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.50 1.49 7.81 127 C 7.02 3.84 0.00 2.40 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 0.00 128 K 7.60 3.70 0.00 1.78 1.85 0.00 1.79 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.58 1.52 7.81 129 Y 7.64 4.28 0.00 3.08 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 0.00 130 N 8.75 4.37 0.00 2.70 2.95 0.00 0.00 7.10 5.98 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 0.00 131 T 7.81 2.92 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 1.07 0.00 0.00 132 T 8.03 3.94 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 1.20 0.00 0.00 133 Y 8.10 3.95 0.00 3.08 3.24 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 0.00 134 Y 8.32 4.29 0.00 3.51 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 0.00 135 N 8.28 4.62 0.00 3.03 2.91 0.00 0.00 7.10 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 0.00 136 V 7.24 3.92 1.99 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 0.75 0.00 0.00 0.88 0.00 0.00 137 R 7.53 4.30 0.00 1.70 1.73 0.00 2.73 0.00 0.00 2.91 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.32 0.00 138 S 7.68 4.22 0.00 3.72 3.56 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 * Residues marked with a * may have inaccurate shift predictions.