NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 Q 4.3340 8.2027 121.9770 56.0283 30.9703 173.1406 22 V 4.7609 8.3609 126.2773 60.7463 34.2792 172.6499 23 R 5.1717 9.8697 127.7392 54.5264 34.0859 174.4857 24 V 5.0796 8.5896 116.1786 60.0748 35.1179 174.9512 25 T 5.1719 9.0195 119.4546 61.9190 72.6841 173.0485 26 G 4.4757 9.4084 113.1197 44.7500 0.0000 173.5027 27 I 4.5361 8.8668 124.1088 59.2424 40.3059 173.9335 28 L 4.9241 8.4146 129.9023 53.4932 43.4510 174.8334 29 I 4.9527 8.2127 127.3372 59.5844 39.3515 175.5105 30 E 4.5376 8.8003 123.6511 56.2706 33.6666 175.2370 31 D 4.4829 9.4575 123.6145 55.9032 38.5296 173.4737 32 E 3.8293 8.1785 111.7434 57.0923 27.7664 174.5513 33 K 4.8983 7.8139 117.0400 54.4942 35.2754 175.1516 34 V 4.7470 8.3771 122.0498 60.8808 33.5732 175.0592 35 L 4.3367 8.3068 129.6886 55.0816 42.4270 175.9181 36 L 5.1011 9.2669 126.7444 53.0524 45.0603 175.7803 37 V 5.1645 9.2327 121.1511 61.1346 35.2601 173.9119 38 K 4.2636 7.7753 126.3011 54.5743 33.4043 176.1689 39 Q 4.0402 8.2430 126.7122 55.5709 29.7547 176.6921 40 K 4.3708 8.4848 122.5994 56.4462 32.3588 176.3978 41 V 4.3729 7.1456 112.4463 60.5868 36.4117 175.9577 42 A 3.8299 8.2511 123.1456 54.1423 17.8484 177.1308 43 N 4.7785 8.6473 113.1710 55.0590 40.3011 177.8732 44 R 4.2277 8.6952 122.8678 55.9241 29.3837 176.5316 45 D 4.5287 8.9201 131.0744 53.9221 41.0590 172.4254 46 W 4.9441 8.7860 122.4114 56.6859 30.0763 175.6433 47 S 4.9948 9.4376 118.6646 56.8979 66.7262 173.0540 48 L 4.7214 8.7341 119.8714 53.9886 42.3605 175.6712 49 P 4.4849 0.0000 0.0000 62.3760 32.9439 176.1427 50 G 3.9801 8.0299 109.4085 46.5059 0.0000 171.0788 51 G 3.9736 7.1517 105.2638 46.0822 0.0000 172.1158 52 R 4.6056 8.4227 120.4519 56.1749 30.8708 176.3901 53 V 3.9939 8.8001 127.0831 62.2957 32.0130 175.6952 54 E 4.2134 9.5980 128.8091 55.3474 30.2245 175.8388 55 N 4.1571 8.6596 119.7584 55.8364 39.0210 175.1069 56 G 3.9871 9.0990 113.7070 45.2490 0.0000 172.8493 57 E 4.7147 7.8984 119.2383 55.4162 31.1062 176.6740 58 T 4.4107 8.8385 112.9459 60.8239 71.3520 175.8714 59 L 4.0754 8.5615 122.0871 58.2011 41.7106 179.2658 60 E 3.8558 8.0606 117.5017 59.4016 30.0301 178.1365 61 E 4.1314 8.3032 118.3479 59.2711 29.3865 179.3624 62 A 4.2005 7.8599 118.5986 52.7603 18.1643 179.2560 *64 I 4.0130 7.6878 123.1989 63.0135 39.5209 177.5577 65 R 4.0465 8.1893 120.2104 59.5738 30.1513 180.1117 66 E 4.3917 8.4534 117.7626 56.3350 28.5013 178.8328 *68 R 4.3881 8.0441 115.6359 55.7963 31.3466 176.7223 69 E 4.1411 7.9039 117.3215 57.9977 29.8868 177.0572 70 E 4.5363 8.0315 116.6344 56.7643 30.6597 176.5770 71 T 4.3973 7.1796 104.5813 59.6779 70.3802 174.5151 72 G 3.9654 7.8306 109.0251 45.7710 0.0000 173.5857 73 L 4.4215 7.6058 119.0031 53.7997 43.0532 175.7023 74 E 4.6745 8.4666 120.2288 55.1720 31.3377 175.6481 75 V 5.1287 8.3171 116.5635 59.4670 36.3870 174.6231 76 K 4.6819 8.8204 119.8298 55.1387 36.1916 175.7015 77 I 4.0943 8.2191 122.6730 61.7788 37.3798 175.5336 78 K 4.3816 8.8952 126.6856 57.8024 32.8346 176.8399 79 K 4.6284 7.5983 116.5792 55.1194 37.0548 174.1250 80 L 4.4617 8.5973 124.7146 55.3038 42.8113 176.7309 81 L 4.3011 9.2328 129.4301 57.3017 43.7642 175.7140 82 Y 5.2821 7.6201 118.1653 56.2955 42.6800 173.3773 83 V 4.6992 8.0537 125.7963 61.1065 34.7540 173.5335 84 C 5.0485 9.0913 128.3223 57.4033 34.3809 172.1123 85 D 5.3415 8.6069 124.9241 51.6795 42.4701 175.0658 86 K 5.1226 9.5717 121.4179 52.4775 32.4266 174.9255 87 P 4.2634 0.0000 0.0000 65.3999 31.6779 178.3160 88 D 4.4188 8.0158 116.7240 55.6664 41.1112 176.2937 89 A 4.1353 7.7626 121.5882 52.0918 18.9437 177.2322 90 S 4.5224 8.2489 115.6362 56.0769 63.7968 172.7900 91 P 4.6189 0.0000 0.0000 61.1950 32.5345 176.0476 92 S 4.4114 8.4370 114.0915 59.4301 63.3970 174.0516 93 L 4.9832 8.8889 125.0761 53.1080 45.0966 174.6582 94 L 5.0550 8.7254 127.5962 53.4972 45.1076 174.2469 95 H 5.3435 9.8069 127.0623 54.6911 32.2626 172.2541 96 I 4.7156 9.1217 127.5730 59.8581 39.6472 174.8488 97 T 4.9076 8.7176 123.6815 61.8488 70.9657 173.1981 98 F 5.4925 9.3376 125.6107 55.7398 42.0124 174.9196 99 L 4.7687 9.0039 123.6367 54.3260 42.4717 176.2770 100 L 5.1367 8.6951 124.6133 53.2552 44.2932 175.7160 101 E 4.7240 8.6981 120.6762 54.4748 33.1766 174.9938 102 R 4.5989 8.6892 125.4144 56.3542 30.8290 176.3522 103 I 4.4948 8.3280 117.2224 60.2032 40.7958 175.0051 104 E 4.4040 8.8305 123.2585 54.0415 30.9665 173.4134 *118 P 4.1217 0.0000 0.0000 62.3277 32.4563 176.1632 119 I 4.0040 8.1270 122.2287 61.0159 37.9522 175.2508 120 H 4.6912 8.4536 122.1794 54.8804 29.8803 174.8677 121 D 4.8928 8.4922 122.6985 53.5731 41.3826 175.5078 122 V 4.9314 8.4832 122.7339 61.4712 34.8890 174.7832 123 Q 3.8914 8.6991 128.1313 55.1700 33.3768 173.2342 *125 V 3.9531 8.3981 115.3334 61.6958 32.8209 173.7240 126 P 4.6410 0.0000 0.0000 62.7952 31.8964 177.3870 127 I 3.6255 8.6309 123.9247 64.5180 37.1553 177.5578 128 N 4.8428 8.0630 114.1140 53.3123 37.1081 174.9228 129 E 4.7270 8.2631 116.3536 55.7640 31.3277 177.6550 130 L 4.3986 7.9536 120.9708 57.6857 41.4848 179.2966 131 S 4.5900 8.2770 115.4225 61.1186 62.5525 175.7803 132 Y 4.0335 8.0600 122.3260 59.9857 38.4354 176.5783 133 Y 4.6489 8.2107 115.8717 57.5344 38.4483 176.5124 134 G 3.8842 8.0501 108.6222 45.0342 0.0000 174.3369 135 F 4.3310 8.1102 119.4198 56.8807 39.9738 175.3982 136 S 4.4215 8.6142 119.7747 58.1348 65.2350 175.3195 137 E 4.0511 8.7509 122.2516 59.7542 29.3209 179.8269 138 T 3.8981 7.9138 115.5666 66.6406 68.6019 176.2715 139 F 4.3418 8.1830 122.1030 61.3782 39.3733 177.2159 140 I 3.5188 8.0787 119.5510 64.4105 36.7722 178.1808 141 N 4.3059 8.2847 117.3665 55.9743 38.0957 177.0850 142 L 3.8630 7.3576 120.4502 58.3999 42.4028 178.8203 143 I 3.6151 7.3769 119.5844 64.2924 36.7097 178.4597 144 S 4.1156 8.0510 113.7795 61.2814 62.3985 176.2662 145 G 3.6654 8.5560 108.6494 46.1003 0.0000 174.6612 146 G 3.8163 8.1841 110.4571 45.9983 0.0000 176.3384 147 L 4.1596 8.6748 120.2320 57.6684 41.7472 179.2399 148 A 4.0558 7.6948 120.7791 54.4956 18.3605 177.8007 149 N 4.7766 8.4009 111.3670 52.7995 38.9016 175.2380 150 A 4.0486 7.3842 121.5800 53.7878 18.8245 178.1287 151 G 3.9340 8.8939 108.3342 46.3236 0.0000 174.1589 152 S 4.6031 7.8966 115.4032 58.3776 64.0985 172.8263 153 Y 4.9191 8.2205 122.5828 56.4619 42.4055 173.9150 154 Q 3.8992 6.7721 123.4938 54.7218 33.1050 172.9472 155 G 4.4556 8.2552 113.5510 44.1087 0.0000 172.5707 156 L 4.9437 8.8018 123.8845 52.7172 44.8665 176.0713 157 K 4.7017 8.5445 122.1691 54.2598 35.7992 176.4030 158 R 4.0746 8.2162 120.2782 57.2305 30.7671 176.8765 159 N 4.6736 8.6355 115.9365 53.9167 38.1424 174.5716 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 21 Q 8.20 4.33 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.83 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 22 V 8.36 4.76 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 0.77 0.00 0.00 0.95 0.00 0.00 23 R 9.87 5.17 0.00 1.68 1.71 0.00 3.06 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 24 V 8.59 5.08 2.34 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 0.99 0.00 0.00 1.08 0.00 0.00 25 T 9.02 5.17 4.34 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 1.36 0.00 0.00 26 G 9.41 4.48 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 0.00 0.00 0.00 27 I 8.87 4.54 2.02 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 1.17 0.93 0.85 0.00 0.00 28 L 8.41 4.92 0.00 1.73 1.55 0.93 0.96 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 29 I 8.21 4.95 1.84 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.70 0.92 0.00 0.00 30 E 8.80 4.54 0.00 1.96 1.76 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 2.21 2.26 0.00 31 D 9.46 4.48 0.00 2.76 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 32 E 8.18 3.83 0.00 2.15 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 2.27 2.28 0.00 33 K 7.81 4.90 0.00 1.87 1.59 0.00 1.58 0.00 0.00 1.52 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.52 7.81 34 V 8.38 4.75 1.92 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 0.63 0.00 0.00 0.78 0.00 0.00 35 L 8.31 4.34 0.00 1.73 1.58 0.98 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 36 L 9.27 5.10 0.00 1.56 1.76 0.67 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 37 V 9.23 5.16 2.16 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 0.91 0.00 0.00 1.05 0.00 0.00 38 K 7.78 4.26 0.00 0.79 1.18 0.00 1.09 0.00 0.00 0.61 0.00 0.00 2.62 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.88 0.97 7.81 39 Q 8.24 4.04 0.00 2.21 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 40 K 8.48 4.37 0.00 1.71 1.78 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.41 7.81 41 V 7.15 4.37 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 0.78 0.00 0.00 0.90 0.00 0.00 42 A 8.25 3.83 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 43 N 8.65 4.78 0.00 2.68 2.82 0.00 0.00 6.78 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 44 R 8.70 4.23 0.00 1.86 1.21 0.00 3.22 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.48 0.00 45 D 8.92 4.53 0.00 2.85 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 46 W 8.79 4.94 0.00 3.03 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 S 9.44 4.99 0.00 3.88 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 48 L 8.73 4.72 0.00 1.75 1.79 1.38 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.48 0.00 2.16 2.22 0.00 4.01 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.03 0.00 50 G 8.03 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 51 G 7.15 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 0.00 0.00 0.00 52 R 8.42 4.61 0.00 1.84 1.85 0.00 3.24 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 53 V 8.80 3.99 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 0.84 0.00 0.00 1.01 0.00 0.00 54 E 9.60 4.21 0.00 2.17 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 2.34 2.34 0.00 55 N 8.66 4.16 0.00 2.68 2.78 0.00 0.00 7.22 7.98 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 56 G 9.10 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 57 E 7.90 4.71 0.00 2.06 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 0.00 2.30 2.36 0.00 58 T 8.84 4.41 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 1.26 0.00 0.00 59 L 8.56 4.08 0.00 1.89 2.19 1.05 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.06 3.86 0.00 1.84 1.92 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 2.19 2.21 0.00 61 E 8.30 4.13 0.00 2.18 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 2.32 2.33 0.00 62 A 7.86 4.20 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 *64 I 7.69 4.01 1.95 0.00 0.00 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 1.26 0.51 0.90 0.00 0.00 65 R 8.19 4.05 0.00 1.92 2.12 0.00 3.11 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 66 E 8.45 4.39 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 *68 R 8.04 4.39 0.00 2.01 2.41 0.00 3.00 0.00 0.00 3.40 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.66 0.00 69 E 7.90 4.14 0.00 1.99 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 2.58 0.00 70 E 8.03 4.54 0.00 2.02 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 2.27 2.34 0.00 71 T 7.18 4.40 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 72 G 7.83 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 73 L 7.61 4.42 0.00 1.66 1.60 0.93 0.93 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 74 E 8.47 4.67 0.00 1.87 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 2.32 2.26 0.00 75 V 8.32 5.13 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 0.74 0.00 0.00 0.91 0.00 0.00 76 K 8.82 4.68 0.00 1.72 1.81 0.00 1.28 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.28 1.37 7.81 77 I 8.22 4.09 1.66 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.18 0.75 0.00 0.00 78 K 8.90 4.38 0.00 1.83 1.87 0.00 1.76 0.00 0.00 2.05 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.56 7.81 79 K 7.60 4.63 0.00 1.73 1.71 0.00 1.69 0.00 0.00 1.78 0.00 0.00 2.80 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.49 1.46 7.81 80 L 8.60 4.46 0.00 1.83 1.61 0.80 0.36 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 81 L 9.23 4.30 0.00 1.84 1.86 1.01 0.48 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 82 Y 7.62 5.28 0.00 3.08 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 83 V 8.05 4.70 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 0.96 0.00 0.00 0.88 0.00 0.00 84 C 9.09 5.05 0.00 3.03 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 85 D 8.61 5.34 0.00 2.83 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 86 K 9.57 5.12 0.00 1.64 1.73 0.00 1.67 0.00 0.00 1.79 0.00 0.00 2.90 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.32 1.17 7.81 87 P 0.00 4.26 0.00 2.18 2.20 0.00 3.96 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 88 D 8.02 4.42 0.00 2.69 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 89 A 7.76 4.14 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 90 S 8.25 4.52 0.00 3.82 3.80 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 91 P 0.00 4.62 0.00 2.18 2.06 0.00 3.79 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 1.97 1.98 0.00 92 S 8.44 4.41 0.00 3.78 3.88 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 93 L 8.89 4.98 0.00 1.72 1.46 0.94 0.25 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 94 L 8.73 5.06 0.00 1.80 1.48 1.01 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 95 H 9.81 5.34 0.00 3.17 3.22 0.00 5.63 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 I 9.12 4.72 1.65 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 1.10 0.29 0.08 0.00 0.00 97 T 8.72 4.91 4.34 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 1.31 0.00 0.00 98 F 9.34 5.49 0.00 3.06 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 99 L 9.00 4.77 0.00 1.68 1.64 0.94 0.42 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 0.00 100 L 8.70 5.14 0.00 1.52 1.59 0.97 0.83 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 0.00 101 E 8.70 4.72 0.00 2.00 1.70 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 2.18 2.26 0.00 102 R 8.69 4.60 0.00 1.87 1.84 0.00 3.20 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 103 I 8.33 4.49 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 1.29 0.65 0.90 0.00 0.00 104 E 8.83 4.40 0.00 1.93 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 0.00 2.19 2.19 0.00 *118 P 0.00 4.12 0.00 2.13 2.07 0.00 3.75 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 1.82 1.99 0.00 119 I 8.13 4.00 1.86 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 1.40 0.53 0.93 0.00 0.00 120 H 8.45 4.69 0.00 3.20 3.42 0.00 5.69 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 D 8.49 4.89 0.00 2.51 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 0.00 122 V 8.48 4.93 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 0.83 0.00 0.00 1.03 0.00 0.00 123 Q 8.70 3.89 0.00 1.09 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.35 0.00 0.00 0.00 0.00 0.00 1.84 1.90 0.00 *125 V 8.40 3.95 1.92 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 1.06 0.00 0.00 0.59 0.00 0.00 126 P 0.00 4.64 0.00 2.29 1.93 0.00 3.64 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.07 0.00 127 I 8.63 3.63 1.81 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.37 0.80 0.00 0.00 128 N 8.06 4.84 0.00 2.80 2.90 0.00 0.00 5.80 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 0.00 129 E 8.26 4.73 0.00 2.23 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 2.19 2.22 0.00 130 L 7.95 4.40 0.00 1.64 1.87 0.73 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 131 S 8.28 4.59 0.00 4.12 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 0.00 132 Y 8.06 4.03 0.00 2.89 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 0.00 133 Y 8.21 4.65 0.00 3.62 3.30 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 0.00 134 G 8.05 3.88 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 0.00 0.00 0.00 135 F 8.11 4.33 0.00 3.46 3.33 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 0.00 136 S 8.61 4.42 0.00 4.10 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 0.00 137 E 8.75 4.05 0.00 2.03 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 0.00 2.44 2.37 0.00 138 T 7.91 3.90 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 139 F 8.18 4.34 0.00 3.06 3.33 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 0.00 140 I 8.08 3.52 2.03 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.80 0.92 0.00 0.00 141 N 8.28 4.31 0.00 2.91 2.85 0.00 0.00 6.63 6.13 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 0.00 142 L 7.36 3.86 0.00 1.58 1.68 0.95 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 143 I 7.38 3.62 1.42 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.06 0.69 0.00 0.00 144 S 8.05 4.12 0.00 3.85 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 0.00 145 G 8.56 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 0.00 0.00 0.00 146 G 8.18 3.82 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 0.00 0.00 0.00 147 L 8.67 4.16 0.00 1.76 1.77 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 148 A 7.69 4.06 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 0.00 149 N 8.40 4.78 0.00 2.77 2.88 0.00 0.00 6.95 7.21 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 0.00 150 A 7.38 4.05 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 0.00 151 G 8.89 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 152 S 7.90 4.60 0.00 4.32 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 0.00 153 Y 8.22 4.92 0.00 2.81 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 0.00 154 Q 6.77 3.90 0.00 1.95 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.56 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 155 G 8.26 4.46 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 0.00 0.00 0.00 156 L 8.80 4.94 0.00 1.53 1.52 0.91 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 157 K 8.54 4.70 0.00 1.69 1.74 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.42 7.81 158 R 8.22 4.07 0.00 1.80 1.86 0.00 3.39 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 159 N 8.64 4.67 0.00 2.90 2.89 0.00 0.00 6.79 7.56 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 * Residues marked with a * may have inaccurate shift predictions.