NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4537 8.2493 123.5825 52.5412 19.9688 176.3123 2 T 4.5672 8.3789 109.4618 60.6146 70.8991 172.0777 3 K 5.2504 8.3047 125.3551 54.9131 36.5290 175.6710 4 A 5.4687 9.2960 127.4605 50.4834 23.3448 174.9234 5 V 4.9625 8.7846 117.3853 60.7091 35.5273 173.5687 6 C 4.9559 9.1852 122.2861 57.9727 35.2466 172.6339 7 V 4.5624 8.4493 126.2302 61.5693 32.8893 174.2770 8 L 4.7682 8.7911 129.3946 54.0793 43.0492 176.3217 9 K 4.8576 9.0843 122.0575 55.4721 37.2103 176.1109 10 G 4.7117 7.9716 108.3683 45.2837 0.0000 172.2653 11 D 4.4603 8.8059 118.1347 56.3840 41.4595 176.8667 12 G 4.1993 7.6055 108.7261 44.0419 0.0000 171.5529 13 P 4.4654 0.0000 0.0000 63.2500 32.0519 175.5982 14 V 4.4361 7.5378 120.7683 63.0534 31.9969 175.0410 15 Q 4.8355 8.9332 125.2708 55.1799 32.3911 173.7734 16 G 4.3767 8.5055 107.0009 45.9443 0.0000 171.9017 17 I 5.0967 8.2386 119.6646 59.3710 40.8583 174.9474 18 I 4.6851 8.6528 127.4056 59.4857 40.3171 174.4499 19 N 4.9196 8.4145 124.3240 51.5327 40.9802 174.0447 20 F 5.3620 8.8286 119.7770 55.7880 43.3901 173.6861 21 E 5.1510 9.7557 123.2890 54.9301 31.8779 173.9359 22 Q 4.5687 9.6074 127.7589 53.9793 29.7902 175.4557 23 K 4.2767 8.8194 124.3990 57.7869 32.8631 177.2849 24 E 4.7184 7.5551 117.8142 53.8919 32.0104 175.6782 25 S 4.2626 8.6682 119.6943 60.1658 63.3402 174.0924 26 N 4.1882 8.9127 119.8454 53.8400 36.0301 174.4261 27 G 4.0189 7.9192 108.3434 43.4413 0.0000 171.9475 28 P 4.5928 0.0000 0.0000 62.6652 32.2383 176.4409 29 V 4.5816 8.9559 123.3738 61.4229 33.4894 174.7972 30 K 4.9440 9.3174 128.3918 55.8405 33.8132 175.9247 31 V 4.8368 9.1575 125.1500 60.8293 34.3039 174.2531 32 W 5.9960 7.6671 123.4840 55.8855 31.9295 175.3116 33 G 3.6231 7.6884 106.7025 45.7113 0.0000 171.1540 34 S 5.0762 7.9150 114.3641 56.9204 66.5392 174.4152 35 I 5.1011 8.8980 126.5484 59.3314 40.7433 174.6800 36 K 4.8711 9.1357 125.1904 55.4881 36.3320 176.8499 37 G 3.7778 8.8068 105.5670 46.7541 0.0000 173.2136 38 L 4.5801 7.5795 119.5841 52.5327 43.4056 176.3774 39 T 4.1902 8.2111 111.7302 61.1537 69.3802 173.8882 40 E 4.0346 8.7335 124.9309 57.7164 30.2830 175.0257 41 G 3.7910 8.4760 111.1291 43.9261 0.0000 172.1259 42 L 4.8449 8.2290 118.9917 54.7648 42.8458 176.5423 43 H 4.8406 9.3490 119.8410 53.5834 32.9222 173.2410 44 G 4.0102 8.9180 110.8897 46.9522 0.0000 172.2330 45 F 5.5916 9.2573 125.1489 56.8492 42.4514 173.0656 46 H 5.3672 9.0571 122.8354 54.0373 33.6339 172.8011 47 V 4.3616 8.8386 122.3251 62.7072 32.7792 174.8898 48 H 5.2173 9.3273 125.1482 54.1493 30.9524 175.6317 49 E 3.6945 8.9035 122.2585 58.5635 29.5818 177.1414 50 F 4.9268 8.5184 118.2297 54.7601 41.9850 176.8479 51 G 4.4465 8.3336 112.5793 44.1937 0.0000 174.2625 52 D 4.7544 7.8702 117.1500 52.7295 42.7541 174.2265 53 N 5.0928 8.5873 124.4330 53.4871 39.2032 175.5863 54 T 4.0034 8.4790 109.1685 63.4279 69.0328 174.3426 55 A 4.7221 8.0599 126.2643 51.7892 20.1219 176.5847 56 G 3.9175 8.1657 110.7067 48.1254 0.0000 176.5114 57 C 4.2348 8.5543 116.8420 62.4930 27.9306 175.5507 58 T 4.0252 7.5453 111.2393 63.9454 68.0979 175.5855 59 S 4.5837 7.6677 115.1583 58.4654 63.4166 175.5385 60 A 4.1089 7.5104 127.1712 53.7917 18.1451 178.7914 61 G 3.8377 7.7959 105.7830 43.8680 0.0000 170.9970 62 P 4.6485 0.0000 0.0000 62.0510 33.2653 175.1903 63 H 4.0383 8.5917 116.2243 56.3609 29.2251 175.2340 64 F 4.2802 9.2345 126.0974 58.5514 40.0853 174.6091 65 N 4.5149 7.9817 124.0633 51.6761 39.9918 170.7312 66 P 4.1866 0.0000 0.0000 62.4018 32.6056 178.6624 67 L 4.1543 8.0584 124.5206 53.8199 40.3793 175.5720 *80 H 5.1763 7.8563 120.4267 56.0875 32.2015 174.9661 81 V 3.4021 7.6325 118.2997 66.0175 31.2987 177.1091 82 G 3.7400 8.2965 106.6459 46.5179 0.0000 172.9350 83 D 4.8076 7.8157 121.3336 53.6883 39.4514 176.3208 84 L 4.5129 8.3007 122.3577 54.4449 43.3316 177.9933 85 R 4.2599 8.3082 123.1136 56.5441 28.1243 178.0413 86 N 5.6273 8.8009 107.7812 51.6035 42.4516 172.6617 87 V 4.3468 8.7303 115.4109 60.0851 34.8513 174.9244 88 T 5.0303 8.1700 118.5669 61.8030 71.2315 173.2380 89 A 4.5128 9.0381 129.6559 51.3314 20.6099 177.4165 90 D 4.8376 8.6491 121.1268 52.2395 41.7080 177.1149 91 K 4.0515 8.5550 117.2005 59.3483 32.0205 177.4850 92 D 4.5641 8.2967 116.6720 53.9030 41.3805 176.8992 93 G 4.2743 8.3864 108.1998 44.8573 0.0000 172.5658 94 V 4.7555 8.1678 119.8044 60.7046 33.7824 174.3167 95 A 5.0697 9.2887 131.1857 49.5513 20.7147 175.0172 96 D 4.9189 8.6081 122.4545 54.3893 42.2130 176.3575 97 V 4.2847 8.9462 123.6729 61.1308 34.1594 174.6656 98 S 5.0358 8.5956 122.7839 57.6412 64.0399 172.6813 99 I 4.8072 9.5918 128.1890 59.2318 41.3441 174.1678 100 E 5.1701 8.8713 125.4009 54.4856 32.0025 174.3697 101 D 4.9655 9.4052 126.6544 52.6584 44.1557 176.0121 102 S 4.6843 8.9315 120.1867 58.5103 63.6163 174.5959 103 V 4.0984 8.7436 121.7590 64.3732 32.1593 176.5125 104 I 4.1071 7.8091 111.0402 61.0923 38.2341 174.3927 105 S 4.5977 8.0381 113.9960 57.7217 65.2252 173.9291 106 L 4.4567 8.9575 124.0895 54.5075 41.5318 176.1521 107 S 4.4711 7.6991 112.7491 57.6555 66.2557 174.2292 108 G 3.9047 8.5006 108.3894 44.8081 0.0000 173.4060 109 D 4.4165 8.8118 117.2526 57.0518 40.9275 176.5651 110 H 4.8859 7.7735 117.3919 54.2371 29.7610 175.6463 *112 I 3.7421 8.1606 117.2150 59.7379 39.2125 175.4905 113 I 3.6672 7.3424 122.8259 62.9608 37.4136 176.3661 114 G 3.8121 9.3987 113.5568 45.3551 0.0000 173.1341 115 R 4.5612 7.3754 119.2885 55.0542 33.3888 174.7151 116 T 4.9970 8.1292 115.6780 62.0760 71.3453 173.6350 117 L 4.9801 8.5988 128.0722 53.7704 44.2944 175.2704 118 V 5.0239 8.7884 125.5051 61.0276 35.0722 174.1535 119 V 5.0292 8.6907 127.1523 60.5546 33.5212 174.8120 120 H 5.2425 9.0217 121.9528 54.1128 30.4521 174.7940 121 E 4.2204 9.1930 122.1673 58.8370 30.1093 176.6894 122 K 4.8056 8.6507 117.2088 53.7312 36.6721 176.0150 123 A 4.5090 8.4987 124.2330 52.2542 18.9065 176.8721 124 D 4.5449 8.8878 123.7402 53.2644 40.5045 177.4594 *139 N 4.6639 8.6054 118.5650 51.8202 39.9414 172.6841 140 A 4.4839 7.9067 118.8678 53.3515 19.6694 178.7045 141 G 4.0357 7.9974 103.6478 45.5253 0.0000 173.6667 142 S 4.4117 8.6954 116.7298 58.4021 64.7967 174.5018 143 R 4.3804 8.3668 120.5321 55.4691 29.8736 176.4386 144 L 4.3055 9.0132 125.9146 57.4693 42.9837 177.1923 145 A 5.0512 7.7567 117.8487 51.3217 22.7884 174.8736 146 C 5.5014 8.4511 113.6364 58.4707 33.8409 172.6740 147 G 4.5884 8.1509 104.9114 46.2035 0.0000 172.2493 148 V 4.4831 8.2156 120.3036 62.2340 32.8129 175.4832 149 I 4.1274 8.8528 129.4060 61.0322 37.8892 175.3543 150 G 4.3887 8.9792 114.9717 43.9706 0.0000 172.1919 151 I 4.2461 8.2926 121.7857 61.3207 37.0099 175.8406 152 A 4.5998 8.6798 128.6147 52.5531 21.4278 176.3792 153 Q 4.1355 7.7777 121.0081 56.8883 29.0671 173.4135 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 A 8.25 4.45 1.31 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 0.00 0.00 2 T 8.38 4.57 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 1.26 0.00 0.00 3 K 8.30 5.25 0.00 1.87 1.75 0.00 2.01 0.00 0.00 1.91 0.00 0.00 3.12 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.43 1.74 7.81 4 A 9.30 5.47 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.78 4.96 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 0.82 0.00 0.00 0.91 0.00 0.00 6 C 9.19 4.96 0.00 3.13 2.90 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 7 V 8.45 4.56 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 0.93 0.00 0.00 0.92 0.00 0.00 8 L 8.79 4.77 0.00 1.74 1.59 1.05 0.81 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 9 K 9.08 4.86 0.00 1.66 1.62 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.38 7.81 10 G 7.97 4.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.81 4.46 0.00 2.68 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.61 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 0.00 0.00 0.00 0.00 13 P 0.00 4.47 0.00 2.22 2.29 0.00 3.69 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 2.21 1.94 0.00 14 V 7.54 4.44 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 0.78 0.00 0.00 0.93 0.00 0.00 15 Q 8.93 4.84 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.37 0.00 0.00 0.00 0.00 0.00 2.43 2.30 0.00 16 G 8.51 4.38 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 0.00 17 I 8.24 5.10 1.82 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 1.23 0.83 0.00 0.00 18 I 8.65 4.69 1.82 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 1.25 1.32 0.38 0.00 0.00 19 N 8.41 4.92 0.00 1.44 1.42 0.00 0.00 6.37 8.00 0.00 0.00 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 F 8.83 5.36 0.00 2.89 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 21 E 9.76 5.15 0.00 2.42 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 2.56 0.00 22 Q 9.61 4.57 0.00 2.15 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.57 0.00 0.00 0.00 0.00 0.00 2.47 2.62 0.00 23 K 8.82 4.28 0.00 1.82 1.89 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.50 1.44 7.81 24 E 7.56 4.72 0.00 2.07 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 25 S 8.67 4.26 0.00 3.86 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 26 N 8.91 4.19 0.00 2.88 2.94 0.00 0.00 6.94 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 27 G 7.92 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.59 0.00 1.99 2.04 0.00 3.69 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 2.05 2.11 0.00 29 V 8.96 4.58 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 1.27 0.00 0.00 1.03 0.00 0.00 30 K 9.32 4.94 0.00 2.03 1.88 0.00 1.53 0.00 0.00 1.55 0.00 0.00 3.04 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.47 7.81 31 V 9.16 4.84 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 0.72 0.00 0.00 1.08 0.00 0.00 32 W 7.67 6.00 0.00 3.49 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 33 G 7.69 3.62 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 0.00 34 S 7.92 5.08 0.00 3.89 3.62 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 35 I 8.90 5.10 1.76 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.78 0.92 0.00 0.00 36 K 9.14 4.87 0.00 1.74 1.86 0.00 1.32 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.33 7.81 37 G 8.81 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 38 L 7.58 4.58 0.00 1.79 1.42 0.79 0.34 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 39 T 8.21 4.19 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 1.24 0.00 0.00 40 E 8.73 4.03 0.00 2.05 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.49 0.00 41 G 8.48 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.23 4.84 0.00 1.51 1.58 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 43 H 9.35 4.84 0.00 2.98 3.28 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 8.92 4.01 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 0.00 0.00 0.00 45 F 9.26 5.59 0.00 2.95 2.93 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 46 H 9.06 5.37 0.00 3.23 3.04 0.00 5.68 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.84 4.36 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 0.80 0.00 0.00 0.86 0.00 0.00 48 H 9.33 5.22 0.00 3.06 3.41 0.00 5.68 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.90 3.69 0.00 1.73 1.20 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 1.47 2.00 0.00 50 F 8.52 4.93 0.00 3.10 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.33 4.45 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 0.00 52 D 7.87 4.75 0.00 2.62 2.80 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 53 N 8.59 5.09 0.00 2.69 2.74 0.00 0.00 7.26 7.70 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 54 T 8.48 4.00 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 1.24 0.00 0.00 55 A 8.06 4.72 1.26 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 0.00 0.00 56 G 8.17 3.92 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 0.00 0.00 0.00 57 C 8.55 4.23 0.00 2.96 2.96 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 58 T 7.55 4.03 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 59 S 7.67 4.58 0.00 4.18 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 A 7.51 4.11 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 61 G 7.80 3.84 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 0.00 0.00 0.00 62 P 0.00 4.65 0.00 2.10 2.23 0.00 3.86 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.03 0.00 63 H 8.59 4.04 0.00 2.94 3.17 0.00 5.72 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 9.23 4.28 0.00 2.90 2.96 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 65 N 7.98 4.51 0.00 2.59 2.53 0.00 0.00 7.25 7.69 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 66 P 0.00 4.19 0.00 2.11 1.94 0.00 3.01 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 1.66 1.49 0.00 67 L 8.06 4.15 0.00 1.63 1.65 0.90 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 *80 H 7.86 5.18 0.00 3.12 3.40 0.00 5.74 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 7.63 3.40 1.65 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 0.53 0.00 0.00 0.50 0.00 0.00 82 G 8.30 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.82 4.81 0.00 2.70 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.30 4.51 0.00 1.88 1.84 0.66 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 85 R 8.31 4.26 0.00 2.07 1.18 0.00 3.16 0.00 0.00 3.38 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 86 N 8.80 5.63 0.00 2.61 2.65 0.00 0.00 6.68 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 87 V 8.73 4.35 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.07 0.00 0.00 0.76 0.00 0.00 88 T 8.17 5.03 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 1.20 0.00 0.00 89 A 9.04 4.51 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 90 D 8.65 4.84 0.00 2.90 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 91 K 8.55 4.05 0.00 1.76 1.92 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.51 1.76 7.81 92 D 8.30 4.56 0.00 2.81 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 G 8.39 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 0.00 0.00 0.00 0.00 94 V 8.17 4.76 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 0.92 0.00 0.00 95 A 9.29 5.07 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 D 8.61 4.92 0.00 2.56 2.61 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 97 V 8.95 4.28 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 0.87 0.00 0.00 0.63 0.00 0.00 98 S 8.60 5.04 0.00 3.91 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.59 4.81 1.99 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.62 1.02 0.00 0.00 100 E 8.87 5.17 0.00 1.97 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 2.21 2.31 0.00 101 D 9.41 4.97 0.00 2.77 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.93 4.68 0.00 3.92 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 0.00 103 V 8.74 4.10 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 0.79 0.00 0.00 0.95 0.00 0.00 104 I 7.81 4.11 1.91 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.80 1.00 0.00 0.00 105 S 8.04 4.60 0.00 3.84 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.96 4.46 0.00 1.78 1.64 1.00 0.67 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 0.00 107 S 7.70 4.47 0.00 3.95 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 G 8.50 3.90 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 0.00 109 D 8.81 4.42 0.00 2.65 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 H 7.77 4.89 0.00 3.17 3.33 0.00 5.66 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *112 I 8.16 3.74 1.57 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.19 0.95 0.00 0.00 113 I 7.34 3.67 1.78 0.00 0.00 0.71 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 0.73 0.84 0.00 0.00 114 G 9.40 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 R 7.38 4.56 0.00 1.59 1.76 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.19 0.00 116 T 8.13 5.00 4.28 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 1.26 0.00 0.00 117 L 8.60 4.98 0.00 1.81 1.55 0.48 0.71 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 0.00 118 V 8.79 5.02 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 0.71 0.00 0.00 0.83 0.00 0.00 119 V 8.69 5.03 2.25 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 0.70 0.00 0.00 0.95 0.00 0.00 120 H 9.02 5.24 0.00 3.17 3.54 0.00 5.66 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 9.19 4.22 0.00 2.09 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 0.00 2.36 2.34 0.00 122 K 8.65 4.81 0.00 1.81 1.65 0.00 1.92 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.38 7.81 123 A 8.50 4.51 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 0.00 124 D 8.89 4.54 0.00 2.89 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 *139 N 8.61 4.66 0.00 2.79 2.81 0.00 0.00 6.79 7.46 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 0.00 140 A 7.91 4.48 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 0.00 141 G 8.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 S 8.70 4.41 0.00 3.95 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 0.00 143 R 8.37 4.38 0.00 1.68 1.83 0.00 3.18 0.00 0.00 3.12 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.65 0.00 144 L 9.01 4.31 0.00 1.68 1.69 0.99 0.73 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 0.00 145 A 7.76 5.05 1.26 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 0.00 0.00 146 C 8.45 5.50 0.00 3.05 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 0.00 147 G 8.15 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 V 8.22 4.48 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 0.82 0.00 0.00 0.95 0.00 0.00 149 I 8.85 4.13 1.80 0.00 0.00 0.57 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 0.36 0.45 0.00 0.00 150 G 8.98 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 0.00 151 I 8.29 4.25 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 1.25 0.54 0.91 0.00 0.00 152 A 8.68 4.60 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 0.00 153 Q 7.78 4.14 0.00 2.07 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.60 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 * Residues marked with a * may have inaccurate shift predictions.