NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3560 8.1227 122.4681 50.5281 20.3690 175.0765 3 Q 4.7052 7.6904 113.4646 53.6365 31.3100 173.6888 4 G 4.5022 9.5092 115.9868 45.1113 0.0000 171.9128 5 T 4.6307 9.0639 115.8924 61.3727 72.0682 173.5561 6 L 4.6109 8.0976 127.0866 54.0250 43.8959 174.6642 7 Y 4.9279 8.8361 125.7576 56.3081 39.5118 175.1504 8 I 4.4174 8.8526 127.5568 60.9286 38.7260 175.4422 9 V 5.0122 8.8913 127.7608 61.3418 33.7576 174.5999 10 S 5.2816 8.9038 122.8143 55.6842 66.9633 172.9399 11 A 3.5966 7.5651 121.1200 50.7247 21.5174 174.6342 12 P 4.4905 0.0000 0.0000 61.7791 32.5252 175.7527 13 S 4.0924 8.3112 114.0884 59.8730 62.6387 173.9956 14 G 3.9721 9.2054 115.1109 45.4722 0.0000 173.5226 15 A 4.3633 7.5908 121.9604 51.6424 20.3575 179.0158 16 G 4.0262 8.4752 103.6719 45.5420 0.0000 174.7688 17 K 3.7682 8.3851 122.1472 59.5706 31.7896 178.6816 18 S 4.1230 7.9502 113.4181 61.7026 63.3934 176.0951 19 S 4.1331 8.2017 118.8531 61.2306 62.5849 176.8237 20 L 3.9659 8.3156 121.5602 58.0054 41.2191 179.6674 21 I 3.5264 7.3602 117.8205 64.5494 37.1865 177.9415 22 Q 3.9720 8.5328 119.4038 58.3935 27.9923 178.2146 23 A 4.0294 8.4985 121.5744 55.7316 18.2801 179.5619 24 L 3.8380 7.7052 117.9916 58.0221 41.9364 178.7563 25 L 3.9105 7.9007 117.5061 56.4113 41.7187 178.8118 26 K 4.2127 7.5598 117.3770 57.8031 32.3588 177.1511 27 T 4.6156 7.1875 109.1686 60.1925 69.0665 174.1743 28 Q 4.3321 7.7713 122.1909 55.2217 32.2371 171.9251 29 P 4.2573 0.0000 0.0000 62.1751 32.0197 177.2630 30 L 3.9355 8.1715 119.9083 58.0873 41.6092 178.1003 31 Y 4.4889 7.4227 113.3699 58.0351 38.3517 175.1732 32 D 4.8732 8.2756 119.7313 55.9431 43.2520 176.0688 33 T 5.4070 7.5231 112.4882 62.1336 74.3545 170.7420 34 Q 4.3845 9.5312 121.0701 56.6650 29.1738 176.7899 *87 E 4.1244 9.4360 127.4268 56.8685 31.7313 176.3785 88 A 4.0461 7.8726 119.7503 55.1207 18.3428 179.6359 89 I 3.5925 7.6257 117.8568 64.7906 37.5078 178.4052 90 E 4.0586 8.1173 118.7425 59.0115 29.0810 179.2156 91 Q 3.9649 7.9492 117.7703 58.9659 29.0996 178.5980 92 V 3.7631 7.2931 118.6424 66.2389 31.5489 178.0653 93 L 4.1458 7.9414 118.1918 57.7277 41.1696 179.2816 94 A 4.3059 8.0977 121.0220 53.7312 18.3799 178.0551 95 T 4.2151 7.7732 106.3537 61.4837 69.0880 175.3137 96 G 3.8710 8.1991 109.0938 45.4601 0.0000 173.3175 97 V 4.5870 7.5762 118.4254 60.9571 34.3679 174.0537 98 D 5.2626 9.1073 126.9861 53.5531 42.6025 175.4396 99 V 4.8969 8.8265 123.5794 61.2326 34.1633 174.1995 100 F 4.9698 8.9720 126.7529 55.9755 40.5920 175.3682 101 L 4.4987 8.8879 128.0777 53.2517 43.0273 174.7740 102 D 5.2096 8.6999 126.8990 54.1091 41.1119 174.6205 103 I 4.7638 8.4595 119.3947 60.0640 41.8712 173.6982 104 D 4.9537 8.5153 121.5570 51.4135 41.4978 177.1282 105 W 4.6485 9.3698 118.6293 59.4578 27.7209 178.0138 106 Q 3.4254 7.2481 119.4131 58.1453 27.9785 178.2995 107 G 3.7781 7.8897 105.6274 48.0536 0.0000 174.6374 108 A 4.0468 8.1134 123.1941 55.4423 17.9816 179.9184 109 Q 3.8876 7.9732 115.6124 59.0950 28.5885 178.9794 110 Q 3.9908 7.9801 118.7734 58.7164 28.5984 178.7542 111 I 3.8558 7.8563 120.7683 64.0931 37.2826 178.2844 112 R 3.8737 8.4153 118.1312 59.4519 29.8446 178.5194 113 Q 4.0559 7.4648 118.3029 58.6369 29.3347 177.3965 114 K 4.4145 7.6205 117.0558 56.3475 34.2132 177.1099 115 M 4.8046 8.1924 119.5031 52.9935 32.2734 174.3011 116 P 4.5188 0.0000 0.0000 64.9197 32.2295 177.8133 117 H 4.4821 8.0160 114.5104 56.2983 29.4099 175.1961 118 A 4.1817 7.6992 122.1396 52.0207 18.8383 177.2683 119 R 4.9673 8.5012 120.3208 54.5628 33.3928 175.4924 120 S 5.4900 9.5932 116.0081 56.8155 66.5094 172.8176 121 I 5.2962 9.5137 123.8390 59.5601 40.5348 174.0400 122 F 4.9329 9.3285 128.7340 56.3201 41.9762 173.7258 123 I 4.9719 7.7178 126.6307 59.5814 39.1742 175.0583 124 L 5.0533 8.9094 126.3059 51.9319 44.0599 174.7054 125 P 4.6377 0.0000 0.0000 62.0283 31.9907 175.6049 126 P 4.1799 0.0000 0.0000 64.6807 31.9424 175.6924 127 S 4.5082 7.1230 112.4089 56.3565 66.0084 176.4427 128 K 3.9928 8.3376 121.1378 59.3472 31.8597 178.7191 129 I 3.6688 7.6766 119.7956 64.4530 37.0540 177.8453 130 E 3.9566 8.0827 119.7815 58.9674 29.3278 178.5871 131 L 3.8991 7.9045 120.4499 58.2481 42.1618 177.8932 132 D 4.3172 8.2085 117.9573 57.6458 40.8075 178.0748 133 R 3.8777 7.8706 118.1387 59.9522 30.4219 178.3752 134 R 4.0623 8.2156 117.5290 59.2866 29.8104 179.1451 135 L 4.0476 8.0745 118.2595 57.7468 41.8679 179.4338 136 R 4.0757 8.4570 117.6624 55.0591 29.9593 179.8546 137 G 3.9896 8.0778 106.2758 46.7151 0.0000 176.1240 138 R 3.9235 9.0656 125.1881 57.1886 30.4256 176.2742 139 G 3.9637 8.7225 105.6929 45.9018 0.0000 174.1974 140 Q 4.6253 7.5420 117.9562 53.0280 28.7690 174.0630 141 D 4.7576 7.6209 118.0004 52.3204 45.6217 175.6986 142 S 4.2794 8.5384 117.4399 58.1203 63.2922 175.1729 143 E 4.0144 8.9085 123.3023 58.8109 29.7993 178.4847 144 E 4.2798 8.0210 117.4983 57.7805 30.4043 178.2775 145 V 3.8627 7.8660 118.2078 65.1061 31.4964 178.2453 146 I 3.7039 7.6612 119.3055 64.3720 37.0654 177.9073 147 A 4.1097 7.6600 120.7229 55.0572 18.2583 179.6163 148 K 3.9442 7.7808 116.8918 59.5633 32.3012 179.4255 149 R 3.9560 7.7677 118.5991 59.4296 30.0163 178.6761 150 M 4.0769 8.7024 118.1882 58.2496 32.0973 178.2012 151 A 3.9224 8.3942 121.5083 55.3118 18.6773 179.1527 152 Q 3.9424 8.0392 117.5760 59.4415 28.8891 178.8309 153 A 4.0037 8.0088 121.4132 55.2648 18.3802 179.7980 154 V 3.5161 7.8693 116.6281 66.0044 31.3189 178.0247 155 A 3.9429 8.0716 119.9633 55.0562 18.5192 178.9189 156 E 4.1613 8.2914 117.7336 59.9584 29.9764 178.8502 157 M 4.2705 8.5503 118.8995 58.7015 31.7746 178.8057 158 S 4.1418 7.5024 114.7115 61.5428 63.1985 174.9076 159 H 4.7016 7.8574 116.8971 55.6400 28.9369 176.5440 160 Y 3.1244 7.7098 120.5718 59.5912 37.6025 178.4865 161 A 3.5811 6.6446 121.5434 54.0476 18.5058 177.8958 162 E 4.0283 7.9564 114.2945 57.9441 29.4286 176.6009 163 Y 4.5622 7.7690 117.2275 56.7304 39.8544 176.1856 164 D 4.3770 8.6545 121.1412 56.8133 41.5954 176.7315 165 Y 5.0098 8.5897 114.6785 56.0036 42.1766 174.8355 166 L 5.2953 8.6537 122.4016 53.7786 45.1124 175.2791 167 I 4.4878 8.9154 127.6136 59.6167 39.7090 174.8965 168 V 4.4408 8.3607 127.0344 61.6771 32.1901 175.4478 169 N 4.2001 9.1927 129.5987 53.2026 36.7575 173.7304 170 D 4.3836 8.5007 121.7571 55.0770 42.4918 175.8477 171 D 4.5872 7.8511 115.8092 53.4327 42.8362 176.5347 172 F 4.2233 9.0090 129.2272 61.6686 39.4032 176.5982 173 D 4.2705 8.4049 118.2339 57.7221 40.5911 178.8942 174 T 3.7821 8.0444 115.2850 66.6847 68.5210 176.2331 175 A 4.0126 7.9707 122.5558 55.1545 18.3434 179.4581 176 L 3.6472 7.6476 118.7398 58.3283 41.9705 179.4153 177 T 3.7916 7.7286 115.7762 66.5723 68.4051 176.1855 178 D 4.3167 8.2430 121.1911 57.3581 40.8942 178.7970 179 L 3.8257 7.7533 120.4193 58.0786 42.0310 179.0653 180 K 3.8274 7.8838 118.2657 59.7409 31.9575 179.0658 181 T 3.8305 8.4165 116.7137 66.9302 68.4381 176.2047 182 I 3.4595 7.5203 121.1510 64.4762 37.0015 178.3230 183 I 3.5518 7.2884 119.7617 64.4609 36.7551 178.4478 184 R 3.8655 8.0374 117.9289 59.3530 30.3283 177.9001 185 A 4.1756 8.3688 120.9651 55.3967 18.3960 179.4528 186 E 4.0356 8.3089 116.9535 59.6839 29.3991 179.6160 187 R 4.1787 7.7992 115.8763 58.0067 30.2290 177.9061 188 L 4.4167 7.4697 117.2091 54.0867 42.6628 177.1174 189 R 4.1001 7.3068 119.1735 56.4289 31.0697 177.3473 190 M 4.0303 8.7932 119.8272 58.9460 32.3077 178.4292 191 S 4.1025 8.1758 114.8766 62.1595 63.0501 176.7943 192 R 4.0602 7.9221 120.1097 59.1605 29.9903 178.2971 193 Q 4.0829 8.2636 118.1533 58.6413 28.4733 178.3065 194 K 3.9274 7.9386 119.9857 59.6763 32.3565 178.1999 195 Q 4.0412 7.7287 119.1139 59.3582 28.8334 178.3247 196 R 3.9909 8.1220 119.4912 58.5286 30.2863 176.7161 197 H 4.9382 8.1485 115.7090 55.2134 29.8713 175.5671 198 D 4.3526 8.1041 120.3685 57.7096 40.8426 177.9560 199 A 3.9657 7.9282 120.2629 55.0423 18.6317 179.0783 200 L 3.8863 7.8935 118.2739 58.5853 42.0483 179.0930 201 I 3.7610 7.8293 118.4176 64.3263 37.2175 178.4178 202 S 4.2554 7.9349 115.5912 61.7294 62.5418 176.6925 203 K 3.9032 7.6266 119.2951 59.7471 31.8483 179.0683 204 L 4.1585 7.7438 117.8441 56.9921 41.6496 178.5340 205 L 4.3672 7.8673 116.8697 54.9924 42.1132 176.4911 206 A 4.3355 7.8754 126.0392 52.0930 19.3003 176.0489 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 2 A 8.12 4.36 1.32 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 0.00 0.00 3 Q 7.69 4.71 0.00 2.26 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 4 G 9.51 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.06 4.63 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 0.40 0.00 0.00 6 L 8.10 4.61 0.00 1.68 1.41 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.84 4.93 0.00 2.00 2.41 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 8 I 8.85 4.42 1.99 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 1.15 0.53 1.06 0.00 0.00 9 V 8.89 5.01 2.22 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 1.04 0.00 0.00 1.21 0.00 0.00 10 S 8.90 5.28 0.00 3.63 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 11 A 7.57 3.60 0.90 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 0.00 0.00 12 P 0.00 4.49 0.00 2.26 2.42 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.01 0.00 13 S 8.31 4.09 0.00 3.87 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 14 G 9.21 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 15 A 7.59 4.36 1.29 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 0.00 0.00 0.00 16 G 8.48 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 17 K 8.39 3.77 0.00 1.75 1.82 0.00 1.95 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.67 1.53 7.81 18 S 7.95 4.12 0.00 4.09 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 19 S 8.20 4.13 0.00 4.04 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 20 L 8.32 3.97 0.00 2.02 1.64 0.90 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.36 3.53 1.84 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.63 0.76 0.00 0.00 22 Q 8.53 3.97 0.00 2.26 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.66 0.00 0.00 0.00 0.00 0.00 2.66 2.52 0.00 23 A 8.50 4.03 1.49 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 24 L 7.71 3.84 0.00 1.62 1.54 0.78 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.90 3.91 0.00 1.69 1.64 0.87 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 26 K 7.56 4.21 0.00 1.85 1.84 0.00 1.63 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.55 7.81 27 T 7.19 4.62 4.20 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 0.00 0.00 0.00 1.18 0.00 0.00 28 Q 7.77 4.33 0.00 2.03 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.06 0.00 0.00 0.00 0.00 0.00 2.18 2.27 0.00 29 P 0.00 4.26 0.00 0.72 1.67 0.00 3.59 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 1.60 1.60 0.00 30 L 8.17 3.94 0.00 1.65 1.78 0.93 0.83 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 31 Y 7.42 4.49 0.00 3.02 3.08 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 32 D 8.28 4.87 0.00 2.74 2.68 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 0.00 0.00 0.00 0.00 33 T 7.52 5.41 4.22 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 1.35 0.00 0.00 34 Q 9.53 4.38 0.00 2.12 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.39 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 *87 E 9.44 4.12 0.00 2.02 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 2.28 2.32 0.00 88 A 7.87 4.05 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 89 I 7.63 3.59 1.87 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 1.64 0.70 0.90 0.00 0.00 90 E 8.12 4.06 0.00 2.13 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 0.00 2.38 2.38 0.00 91 Q 7.95 3.96 0.00 2.04 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.93 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 92 V 7.29 3.76 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 1.21 0.00 0.00 1.06 0.00 0.00 93 L 7.94 4.15 0.00 1.89 1.70 0.89 0.78 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 94 A 8.10 4.31 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 95 T 7.77 4.22 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 1.31 0.00 0.00 96 G 8.20 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 97 V 7.58 4.59 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 1.14 0.00 0.00 1.07 0.00 0.00 98 D 9.11 5.26 0.00 2.94 2.89 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 V 8.83 4.90 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 1.03 0.00 0.00 0.98 0.00 0.00 100 F 8.97 4.97 0.00 2.98 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 0.00 101 L 8.89 4.50 0.00 1.73 1.61 0.94 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 102 D 8.70 5.21 0.00 2.80 2.65 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 0.00 103 I 8.46 4.76 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.72 0.93 0.00 0.00 104 D 8.52 4.95 0.00 3.02 2.89 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 0.00 105 W 9.37 4.65 0.00 3.76 3.68 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 0.00 0.00 0.00 0.00 106 Q 7.25 3.43 0.00 1.80 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 1.16 1.23 0.00 107 G 7.89 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 0.00 0.00 0.00 108 A 8.11 4.05 1.47 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 0.00 0.00 109 Q 7.97 3.89 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.75 0.00 0.00 0.00 0.00 0.00 2.41 2.61 0.00 110 Q 7.98 3.99 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.78 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 111 I 7.86 3.86 1.86 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 1.51 1.02 0.90 0.00 0.00 112 R 8.42 3.87 0.00 1.77 1.98 0.00 3.05 0.00 0.00 3.05 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 113 Q 7.46 4.06 0.00 2.20 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.85 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 114 K 7.62 4.41 0.00 1.71 1.81 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.59 7.81 115 M 8.19 4.80 0.00 1.93 2.08 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.56 0.00 116 P 0.00 4.52 0.00 2.21 2.18 0.00 3.73 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 2.01 1.98 0.00 117 H 8.02 4.48 0.00 3.06 3.35 0.00 5.90 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 A 7.70 4.18 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 0.00 119 R 8.50 4.97 0.00 1.72 2.04 0.00 3.36 0.00 0.00 3.55 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.42 0.00 120 S 9.59 5.49 0.00 4.15 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 0.00 121 I 9.51 5.30 2.03 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 1.27 1.01 1.01 0.00 0.00 122 F 9.33 4.93 0.00 2.57 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 0.00 123 I 7.72 4.97 1.72 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 0.61 0.91 0.00 0.00 124 L 8.91 5.05 0.00 1.54 1.52 0.76 0.97 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 0.00 125 P 0.00 4.64 0.00 2.38 2.18 0.00 3.71 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 126 P 0.00 4.18 0.00 2.20 2.22 0.00 3.80 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 127 S 7.12 4.51 0.00 4.04 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 0.00 128 K 8.34 3.99 0.00 1.83 1.83 0.00 1.71 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.52 7.81 129 I 7.68 3.67 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 1.52 0.76 0.91 0.00 0.00 130 E 8.08 3.96 0.00 2.12 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 2.31 2.36 0.00 131 L 7.90 3.90 0.00 1.91 1.81 0.97 1.14 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 0.00 132 D 8.21 4.32 0.00 2.74 2.89 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 0.00 133 R 7.87 3.88 0.00 1.85 2.13 0.00 3.32 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 134 R 8.22 4.06 0.00 2.08 1.96 0.00 3.27 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.87 0.00 135 L 8.07 4.05 0.00 1.86 1.74 0.96 1.11 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 0.00 136 R 8.46 4.08 0.00 2.07 1.97 0.00 3.27 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 137 G 8.08 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 0.00 138 R 9.07 3.92 0.00 1.75 1.95 0.00 3.29 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 139 G 8.72 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 0.00 140 Q 7.54 4.63 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.31 6.64 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 141 D 7.62 4.76 0.00 2.61 2.51 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 0.00 142 S 8.54 4.28 0.00 4.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 E 8.91 4.01 0.00 2.02 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 2.41 2.29 0.00 144 E 8.02 4.28 0.00 2.07 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 0.00 2.35 2.35 0.00 145 V 7.87 3.86 2.19 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 1.04 0.00 0.00 0.94 0.00 0.00 146 I 7.66 3.70 2.03 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 1.76 0.65 0.91 0.00 0.00 147 A 7.66 4.11 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 0.00 148 K 7.78 3.94 0.00 2.03 1.83 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.50 7.81 149 R 7.77 3.96 0.00 2.05 1.97 0.00 3.19 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 150 M 8.70 4.08 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.60 0.00 151 A 8.39 3.92 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 0.00 152 Q 8.04 3.94 0.00 2.36 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 153 A 8.01 4.00 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 0.00 154 V 7.87 3.52 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 0.99 0.00 0.00 1.02 0.00 0.00 155 A 8.07 3.94 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 0.00 156 E 8.29 4.16 0.00 2.45 2.29 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 2.47 2.75 0.00 157 M 8.55 4.27 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.83 0.00 158 S 7.50 4.14 0.00 3.44 3.67 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 0.00 159 H 7.86 4.70 0.00 3.30 3.49 0.00 5.63 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 Y 7.71 3.12 0.00 2.42 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 A 6.64 3.58 0.77 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 0.00 0.00 162 E 7.96 4.03 0.00 1.95 1.84 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 2.29 2.26 0.00 163 Y 7.77 4.56 0.00 3.37 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 0.00 164 D 8.65 4.38 0.00 2.81 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 Y 8.59 5.01 0.00 3.05 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 0.00 166 L 8.65 5.30 0.00 1.76 1.63 1.16 1.06 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 0.00 167 I 8.92 4.49 1.89 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.60 0.89 0.00 0.00 168 V 8.36 4.44 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 0.76 0.00 0.00 0.94 0.00 0.00 169 N 9.19 4.20 0.00 2.71 2.80 0.00 0.00 7.16 8.38 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 0.00 170 D 8.50 4.38 0.00 2.68 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 D 7.85 4.59 0.00 2.77 2.54 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 0.00 0.00 0.00 0.00 172 F 9.01 4.22 0.00 3.15 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 0.00 173 D 8.40 4.27 0.00 2.96 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 0.00 174 T 8.04 3.78 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 1.23 0.00 0.00 175 A 7.97 4.01 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 0.00 176 L 7.65 3.65 0.00 1.24 1.57 0.71 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 177 T 7.73 3.79 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 1.17 0.00 0.00 178 D 8.24 4.32 0.00 2.79 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 0.00 179 L 7.75 3.83 0.00 1.78 1.69 0.95 0.29 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 0.00 180 K 7.88 3.83 0.00 1.94 1.78 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.53 7.81 181 T 8.42 3.83 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 0.00 182 I 7.52 3.46 1.66 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.71 0.06 0.00 0.00 183 I 7.29 3.55 1.97 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.93 0.00 0.00 184 R 8.04 3.87 0.00 1.77 2.08 0.00 3.27 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 185 A 8.37 4.18 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 0.00 186 E 8.31 4.04 0.00 2.34 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 2.61 2.83 0.00 187 R 7.80 4.18 0.00 1.95 2.04 0.00 3.20 0.00 0.00 3.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.87 0.00 188 L 7.47 4.42 0.00 1.89 1.73 0.94 0.84 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 0.00 189 R 7.31 4.10 0.00 1.96 1.89 0.00 3.32 0.00 0.00 3.14 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.79 0.00 190 M 8.79 4.03 0.00 2.14 2.07 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 2.71 0.00 191 S 8.18 4.10 0.00 3.91 3.94 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 0.00 192 R 7.92 4.06 0.00 1.91 1.95 0.00 3.39 0.00 0.00 3.37 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 193 Q 8.26 4.08 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.56 0.00 0.00 0.00 0.00 0.00 2.67 2.66 0.00 194 K 7.94 3.93 0.00 1.93 2.00 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.47 7.81 195 Q 7.73 4.04 0.00 2.35 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.56 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 196 R 8.12 3.99 0.00 1.83 1.87 0.00 3.25 0.00 0.00 3.34 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.60 0.00 197 H 8.15 4.94 0.00 3.41 3.24 0.00 5.89 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 D 8.10 4.35 0.00 2.82 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 0.00 199 A 7.93 3.97 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 0.00 200 L 7.89 3.89 0.00 1.80 1.87 0.93 0.94 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 0.00 201 I 7.83 3.76 1.89 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 1.53 0.79 0.92 0.00 0.00 202 S 7.93 4.26 0.00 4.05 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 0.00 203 K 7.63 3.90 0.00 1.86 1.90 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.69 1.65 7.81 204 L 7.74 4.16 0.00 1.81 1.73 0.92 0.76 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 0.00 205 L 7.87 4.37 0.00 1.62 1.71 0.98 0.63 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 0.00 206 A 7.88 4.34 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 * Residues marked with a * may have inaccurate shift predictions.