NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5423 8.3049 120.5954 55.7600 33.4477 174.3542 2 H 5.2274 9.2631 123.5460 53.5923 32.2656 171.7315 3 A 5.0869 9.8662 125.5532 50.6065 21.2510 175.6174 4 L 5.0323 9.2652 124.0078 53.7562 44.1220 176.2377 5 V 4.9096 8.6088 122.1812 61.2111 35.3495 173.7960 6 Q 4.6631 8.6125 129.1757 55.7618 29.5565 175.7826 7 L 4.7995 8.7822 124.9895 54.4708 44.5165 176.9224 8 R 4.6225 8.0946 117.1360 53.7510 32.0605 176.3082 9 G 3.9551 8.6331 111.0516 45.9052 0.0000 172.3699 10 E 4.2446 8.4679 114.7940 56.9067 30.6957 176.5488 11 V 3.7687 7.6176 119.4456 63.9734 31.9969 175.2846 12 N 4.2195 8.7720 121.9155 53.8823 36.3187 173.5663 13 M 4.1557 7.6110 118.4690 54.5167 33.3314 176.1290 14 H 4.1057 8.6044 122.5486 56.6993 30.8332 176.5149 15 T 3.8338 8.3940 120.9500 66.9227 68.4210 177.0737 16 D 4.4617 8.0542 120.4639 56.5891 38.8561 178.5114 17 I 3.6806 7.6168 120.8467 64.1119 37.0311 177.8388 18 Q 3.8960 7.7859 119.9818 58.8700 28.7781 177.6713 19 D 4.3894 8.7719 120.2085 57.0685 40.6769 178.9591 20 T 3.8543 7.5560 116.7047 66.6188 68.4675 176.6777 21 L 3.9602 7.5032 120.3387 58.0791 41.6446 179.5726 22 E 3.9999 7.8829 119.4601 58.7967 29.1297 179.1850 23 M 4.1956 7.5362 118.1832 57.6942 31.9850 177.2596 24 L 4.5395 7.8104 117.9491 54.5117 42.5819 176.2103 25 N 4.3751 7.6674 113.6509 53.9575 37.2237 173.8551 26 I 4.5763 7.9477 111.3329 59.6507 39.2619 175.4140 27 H 4.9004 8.9232 119.3733 55.5585 30.2014 172.5963 28 H 4.7897 7.5246 115.8106 54.0166 32.6949 172.9118 29 V 3.7166 8.0265 120.9100 64.3985 31.5167 175.9837 30 N 4.5046 9.5210 122.4779 53.7725 36.7047 173.0950 31 H 5.0537 7.9529 117.0678 54.9511 30.4135 173.8510 32 C 5.0586 8.8193 123.6776 58.1554 33.9721 172.2433 33 T 4.8915 9.1100 118.6783 60.3541 71.0827 172.7253 34 L 4.9226 8.6029 127.3074 53.3207 42.8988 175.7959 35 V 4.0980 8.5892 124.8098 58.9493 33.9917 174.2927 36 P 4.4574 0.0000 0.0000 62.6316 32.5378 176.5914 37 E 4.4471 8.4801 119.0979 54.4136 29.3044 176.1887 38 T 4.7253 7.7006 119.3275 60.7519 73.5140 174.1073 39 D 4.3234 8.5298 121.0431 57.6561 40.3588 178.8112 40 A 3.9062 7.9873 120.4788 55.6978 18.4552 179.2452 41 Y 4.0828 7.9442 113.9540 60.6047 37.8272 179.0930 42 R 3.9781 8.0578 119.8567 59.0705 30.1922 178.6606 43 G 3.8315 7.7673 105.1054 48.7599 0.0000 174.8264 44 M 3.9815 7.6399 120.1589 58.4085 31.7614 179.1397 45 V 3.4805 7.9574 112.6397 64.5465 31.9879 178.4668 46 A 4.1251 8.3653 120.9490 54.9126 18.0862 179.4929 47 K 3.9959 8.1844 116.7982 58.3934 32.4305 177.5059 48 V 4.4216 7.1323 117.0647 62.4560 31.9081 176.2198 49 N 4.3308 8.1173 118.9596 56.9883 38.6654 175.0771 50 D 4.5964 8.1135 114.4936 54.5193 41.7811 176.3529 51 F 4.7770 8.6432 116.9275 57.1366 41.6057 174.9064 52 V 5.6478 7.9741 111.9340 59.0486 35.8391 174.0376 53 A 4.9790 8.3430 122.3207 51.5190 22.1022 175.6770 54 F 5.8206 8.5931 117.0944 54.4032 42.6188 173.9241 55 G 4.1361 7.9767 105.3885 45.4500 0.0000 170.0518 56 E 4.9307 7.9661 120.3002 53.7308 30.5983 174.0314 57 P 4.8464 0.0000 0.0000 61.8749 32.9499 176.2796 58 S 4.4792 8.9676 114.6470 57.6208 65.0738 174.5583 59 Q 3.9249 8.7078 123.8807 60.2528 28.9378 178.4837 60 E 3.8996 8.3371 117.8059 60.2462 29.4504 179.2575 61 T 3.8432 7.9667 114.4237 67.1621 68.7709 176.1661 62 L 3.9049 8.3601 122.0253 58.2593 41.8027 179.1423 63 E 3.9126 8.5008 118.8563 59.6699 29.4990 178.9070 64 T 3.8336 7.9232 115.1774 66.9282 68.4762 176.3433 65 V 3.5760 7.9438 119.7168 66.2056 31.5738 178.0569 66 L 3.8916 8.1434 118.4393 57.6902 41.1780 179.4296 67 A 3.9795 8.0041 120.1319 55.2020 18.5518 179.2100 68 T 4.1228 8.2116 110.5769 64.1227 67.4919 175.5924 69 R 4.5185 7.9194 115.8856 55.6299 32.7077 174.9403 70 A 4.2059 7.5994 120.8968 52.0508 19.2963 177.1595 71 E 4.6268 7.9451 118.0885 53.9115 34.3965 173.4949 72 P 4.7867 0.0000 0.0000 61.9826 32.0871 176.6871 73 L 4.2378 8.3422 120.9633 57.7001 41.9706 178.0062 74 E 4.5853 8.0582 115.8166 55.7660 33.5285 175.8861 75 G 4.0939 8.8750 106.1100 46.2296 0.0000 173.0629 76 D 4.5991 8.2778 117.0161 53.7645 41.4762 176.9193 77 A 4.2612 8.0405 127.6067 52.9357 19.4775 178.0556 *78 D 4.4963 8.1727 116.7233 52.7601 41.7025 176.0134 79 V 3.4607 7.6949 120.8475 61.3709 31.4072 174.4339 80 D 4.9367 8.3364 126.0499 50.6876 42.9409 175.6152 81 D 4.8088 8.9622 117.8999 57.9195 40.4976 178.6375 82 E 4.0328 8.3741 118.6779 59.4463 29.6997 178.0542 83 W 4.1010 9.4685 128.4995 60.8213 30.6626 177.5149 84 V 4.1782 9.6913 119.8404 66.0027 30.7762 177.8869 85 A 4.4955 8.7156 121.2300 54.5911 18.3588 178.8139 86 E 4.0525 8.1799 114.9386 57.8578 29.8215 177.0904 87 H 4.5675 7.6638 112.9883 55.4117 30.9052 173.4631 88 T 4.6514 8.3754 116.4068 62.7245 70.4902 174.4963 89 D 4.6570 8.9192 120.9105 55.0265 41.4573 175.6157 90 Y 4.6881 7.7019 118.0536 56.5032 40.8619 174.7964 91 D 4.6972 8.9536 118.1467 55.8397 42.7968 176.0410 92 D 4.9769 7.6448 115.9562 50.4080 43.0673 175.9320 93 I 3.6880 9.0939 120.6814 65.1132 36.9455 178.5285 94 S 4.3103 8.3653 115.1314 61.9160 62.6173 176.9878 95 G 3.7700 8.2080 107.9557 47.8111 0.0000 175.1215 96 L 3.0203 7.9183 122.7335 57.3357 42.0057 178.4717 97 A 3.9159 8.4983 120.9708 55.4308 18.2296 179.3692 98 F 4.1106 8.5062 118.6500 61.4184 39.4239 177.0540 99 A 4.3989 7.8903 121.6604 54.5241 18.0351 179.5274 100 L 3.9654 7.9653 117.5384 58.0754 41.5464 179.7070 101 L 3.8850 7.2820 117.2602 57.7440 41.9486 179.3609 102 S 3.9787 7.8612 112.6070 58.3048 63.7541 173.2679 103 E 3.6203 7.8593 121.1566 57.7952 26.6326 173.9053 104 E 4.4540 8.6088 119.9680 57.2209 31.6862 175.4826 105 T 5.4277 7.7519 109.5595 59.5543 70.9716 172.3749 106 T 4.6433 8.0875 115.2897 59.5550 71.2548 175.2911 107 L 3.9876 8.5233 122.9447 58.2794 41.3800 180.3494 108 R 4.0555 7.9111 117.3706 59.4535 30.2425 178.5633 109 E 4.0631 8.5191 118.6503 58.9359 29.0926 178.3532 110 Q 4.6064 7.8507 116.3486 54.9101 30.0676 175.5097 111 G 4.1644 8.4848 107.4974 46.8597 0.0000 173.8260 112 L 4.9862 8.3058 118.0566 51.9634 44.3137 176.8442 113 S 4.1928 8.8580 117.3186 57.6831 62.6896 173.3438 114 P 4.2314 0.0000 0.0000 65.4068 31.3128 176.2539 115 T 4.7404 7.2101 111.6837 62.0646 71.1269 175.2811 116 L 4.4443 8.7074 123.3871 52.6959 43.6193 175.7846 117 R 4.6266 8.2500 122.8172 56.0306 27.6293 176.1203 118 L 4.3168 8.2025 122.9815 54.8471 43.2956 175.2176 119 H 4.9819 8.4708 119.0693 53.5940 32.5379 172.0732 120 P 4.3271 0.0000 0.0000 61.9787 31.8656 174.4375 121 P 4.3233 0.0000 0.0000 62.8038 31.0255 175.9438 122 R 4.0847 8.3569 124.0145 58.2035 29.9014 177.1137 123 G 3.7553 8.8425 111.3677 44.8112 0.0000 171.9550 124 G 3.8881 8.0779 112.1731 44.6304 0.0000 173.6922 125 H 4.8665 8.2553 114.9554 54.2901 31.1734 174.0372 126 D 4.6809 9.7892 118.3196 54.5545 41.1703 174.6618 127 G 4.2080 7.9483 111.6180 45.5926 0.0000 174.8690 128 V 4.2927 8.2202 113.9109 60.9235 31.8095 176.6756 129 K 4.3824 7.8592 117.5145 56.5160 32.9896 175.7368 130 H 4.8773 7.4306 115.7464 53.3102 33.0368 171.0588 131 P 4.8928 0.0000 0.0000 61.8420 32.8390 177.1225 132 V 3.7878 8.1989 120.4696 65.9046 31.0008 178.6594 133 K 3.9650 7.9256 115.7001 59.1238 32.0144 178.1441 134 E 4.3049 7.7947 115.8269 56.2842 29.9284 177.0396 135 G 3.9834 8.0049 107.4812 44.8244 0.0000 174.4206 136 G 4.6270 8.2918 107.9391 44.7133 0.0000 174.2106 137 Q 4.8172 8.4492 121.9320 55.7094 30.2944 176.5997 138 L 4.4978 7.8759 117.9788 55.5866 44.0724 177.9244 139 G 3.9761 8.4389 108.5819 44.0040 0.0000 172.4504 140 K 2.4905 7.8754 119.3843 56.5168 32.6291 176.9576 141 H 4.8835 8.2060 122.7140 53.4769 32.5754 173.0373 142 D 4.3434 8.5979 121.0115 54.6641 41.9443 177.1600 143 T 4.3094 8.8076 123.8654 66.7953 68.5383 175.9282 144 E 4.2195 8.2278 120.6755 59.0154 29.8706 178.8767 145 G 3.6391 8.5591 106.2658 48.6495 0.0000 175.6567 146 I 3.6902 7.7442 121.9422 64.1669 37.1104 178.1096 147 D 4.3332 7.9659 119.1044 57.4055 40.7858 178.1210 148 D 4.4193 8.0690 119.4336 58.1518 40.9014 178.5123 149 L 3.9952 7.9075 119.8238 57.7170 41.9613 178.5988 150 L 3.9227 8.2955 118.2719 58.3802 41.6233 179.9168 151 E 4.0051 8.9244 117.9612 59.1631 29.3272 179.1221 152 A 4.1515 8.5316 121.0375 54.0654 18.3520 178.2090 153 M 4.7440 7.6182 118.2516 54.3582 32.8449 176.3147 154 R 4.0370 7.4162 125.3141 56.9846 30.1936 175.7950 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.54 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.58 0.00 2 H 9.26 5.23 0.00 3.09 3.22 0.00 5.67 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 3 A 9.87 5.09 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 9.27 5.03 0.00 1.60 1.63 0.92 0.29 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 5 V 8.61 4.91 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 0.98 0.00 0.00 0.95 0.00 0.00 6 Q 8.61 4.66 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.33 0.00 0.00 0.00 0.00 0.00 2.55 2.40 0.00 7 L 8.78 4.80 0.00 1.61 1.72 0.95 0.94 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 8 R 8.09 4.62 0.00 2.09 2.07 0.00 3.04 0.00 0.00 2.83 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 9 G 8.63 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 10 E 8.47 4.24 0.00 2.27 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 2.27 2.25 0.00 11 V 7.62 3.77 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 0.82 0.00 0.00 0.93 0.00 0.00 12 N 8.77 4.22 0.00 2.95 2.94 0.00 0.00 6.95 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 13 M 7.61 4.16 0.00 1.94 1.61 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 2.08 0.00 14 H 8.60 4.11 0.00 3.15 3.35 0.00 5.67 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 T 8.39 3.83 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 1.25 0.00 0.00 16 D 8.05 4.46 0.00 2.83 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 17 I 7.62 3.68 1.87 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.86 0.81 0.00 0.00 18 Q 7.79 3.90 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 19 D 8.77 4.39 0.00 2.64 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.56 3.85 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 1.19 0.00 0.00 21 L 7.50 3.96 0.00 1.77 1.69 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 22 E 7.88 4.00 0.00 2.03 1.89 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 1.96 2.03 0.00 23 M 7.54 4.20 0.00 1.91 2.23 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 2.83 2.55 0.00 24 L 7.81 4.54 0.00 1.78 1.72 0.95 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 25 N 7.67 4.38 0.00 2.90 2.92 0.00 0.00 6.68 7.42 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 26 I 7.95 4.58 1.93 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 1.44 1.04 0.99 0.00 0.00 27 H 8.92 4.90 0.00 3.04 3.19 0.00 5.90 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 H 7.52 4.79 0.00 2.52 2.95 0.00 5.62 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 V 8.03 3.72 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 0.82 0.00 0.00 0.96 0.00 0.00 30 N 9.52 4.50 0.00 3.04 3.01 0.00 0.00 6.92 8.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 H 7.95 5.05 0.00 3.25 3.24 0.00 5.61 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 C 8.82 5.06 0.00 3.02 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 33 T 9.11 4.89 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 1.32 0.00 0.00 34 L 8.60 4.92 0.00 1.49 1.55 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.59 4.10 1.95 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 0.85 0.00 0.00 0.51 0.00 0.00 36 P 0.00 4.46 0.00 1.61 1.88 0.00 2.20 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.84 0.00 37 E 8.48 4.45 0.00 1.87 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.09 0.00 38 T 7.70 4.73 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 1.29 0.00 0.00 39 D 8.53 4.32 0.00 2.68 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 40 A 7.99 3.91 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 7.94 4.08 0.00 3.07 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 42 R 8.06 3.98 0.00 2.21 1.97 0.00 3.16 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 43 G 7.77 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 0.00 0.00 0.00 44 M 7.64 3.98 0.00 2.10 2.26 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.52 0.00 45 V 7.96 3.48 1.48 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 0.59 0.00 0.00 0.87 0.00 0.00 46 A 8.37 4.13 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.18 4.00 0.00 1.88 2.06 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.45 7.81 48 V 7.13 4.42 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 1.03 0.00 0.00 1.00 0.00 0.00 49 N 8.12 4.33 0.00 2.99 2.92 0.00 0.00 7.04 8.97 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 50 D 8.11 4.60 0.00 2.34 2.32 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 51 F 8.64 4.78 0.00 3.04 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 52 V 7.97 5.65 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 0.95 0.00 0.00 1.21 0.00 0.00 53 A 8.34 4.98 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 0.00 0.00 0.00 0.00 0.00 54 F 8.59 5.82 0.00 3.18 3.13 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 55 G 7.98 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 7.97 4.93 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 65 V 7.94 3.58 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 1.08 0.00 0.00 0.92 0.00 0.00 66 L 8.14 3.89 0.00 1.99 1.66 0.87 0.82 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 67 A 8.00 3.98 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 68 T 8.21 4.12 4.21 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 1.38 0.00 0.00 69 R 7.92 4.52 0.00 1.71 1.79 0.00 3.54 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 70 A 7.60 4.21 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 E 7.95 4.63 0.00 1.77 1.68 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 2.19 2.21 0.00 72 P 0.00 4.79 0.00 2.27 2.30 0.00 3.75 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.75 0.00 73 L 8.34 4.24 0.00 1.57 1.78 0.98 1.27 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 74 E 8.06 4.59 0.00 1.93 1.81 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 2.23 2.33 0.00 75 G 8.87 4.09 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 0.00 0.00 0.00 76 D 8.28 4.60 0.00 2.69 2.71 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 77 A 8.04 4.26 1.46 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 *78 D 8.17 4.50 0.00 2.46 2.49 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 79 V 7.69 3.46 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 0.38 0.00 0.00 -0.04 0.00 0.00 80 D 8.34 4.94 0.00 2.93 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 81 D 8.96 4.81 0.00 2.76 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 82 E 8.37 4.03 0.00 2.08 2.24 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 2.56 2.40 0.00 83 W 9.47 4.10 0.00 3.62 3.47 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 84 V 9.69 4.18 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 1.12 0.00 0.00 85 A 8.72 4.50 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 E 8.18 4.05 0.00 1.45 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 0.00 2.22 2.50 0.00 87 H 7.66 4.57 0.00 1.95 2.75 0.00 5.64 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 T 8.38 4.65 4.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 89 D 8.92 4.66 0.00 2.29 2.28 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 98 F 8.51 4.11 0.00 3.24 3.31 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 99 A 7.89 4.40 1.27 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 0.00 100 L 7.97 3.97 0.00 1.71 1.63 0.84 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 101 L 7.28 3.88 0.00 1.53 1.60 0.95 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 102 S 7.86 3.98 0.00 3.78 3.32 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 0.00 103 E 7.86 3.62 0.00 2.06 2.01 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 2.12 2.25 0.00 104 E 8.61 4.45 0.00 1.98 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 0.00 2.33 2.32 0.00 105 T 7.75 5.43 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 106 T 8.09 4.64 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 1.21 0.00 0.00 107 L 8.52 3.99 0.00 1.69 1.76 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 108 R 7.91 4.06 0.00 1.88 2.00 0.00 3.17 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 109 E 8.52 4.06 0.00 2.19 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 0.00 2.38 2.47 0.00 110 Q 7.85 4.61 0.00 2.15 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.80 0.00 0.00 0.00 0.00 0.00 2.60 2.59 0.00 111 G 8.48 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 L 8.31 4.99 0.00 1.62 1.53 0.87 0.32 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 0.00 113 S 8.86 4.19 0.00 3.91 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 0.00 114 P 0.00 4.23 0.00 2.09 2.17 0.00 3.71 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.17 0.00 115 T 7.21 4.74 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 0.00 116 L 8.71 4.44 0.00 1.49 1.52 0.88 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 117 R 8.25 4.63 0.00 1.62 1.83 0.00 3.19 0.00 0.00 3.18 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.51 0.00 118 L 8.20 4.32 0.00 1.73 1.83 0.93 1.01 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 0.00 119 H 8.47 4.98 0.00 3.20 3.08 0.00 5.81 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.33 0.00 2.00 1.94 0.00 3.08 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.02 0.00 121 P 0.00 4.32 0.00 2.10 2.22 0.00 3.64 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 1.98 1.83 0.00 122 R 8.36 4.08 0.00 1.84 1.95 0.00 3.15 0.00 0.00 3.20 7.30 0.00 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0.00 0.00 0.00 0.00 0.00 131 P 0.00 4.89 0.00 2.18 2.13 0.00 3.78 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 132 V 8.20 3.79 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 1.18 0.00 0.00 0.66 0.00 0.00 133 K 7.93 3.96 0.00 1.73 1.83 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.49 7.81 134 E 7.79 4.30 0.00 2.06 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 2.27 2.36 0.00 135 G 8.00 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 0.00 136 G 8.29 4.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 Q 8.45 4.82 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.76 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 138 L 7.88 4.50 0.00 1.59 1.52 0.87 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 139 G 8.44 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 0.00 140 K 7.88 2.49 0.00 1.59 1.52 0.00 1.99 0.00 0.00 1.77 0.00 0.00 2.78 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.27 1.25 7.81 141 H 8.21 4.88 0.00 2.98 3.11 0.00 5.73 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 D 8.60 4.34 0.00 2.76 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 0.00 143 T 8.81 4.31 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 1.36 0.00 0.00 144 E 8.23 4.22 0.00 2.03 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 2.37 2.37 0.00 145 G 8.56 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 I 7.74 3.69 1.96 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 1.63 0.97 0.92 0.00 0.00 147 D 7.97 4.33 0.00 2.83 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 0.00 148 D 8.07 4.42 0.00 2.92 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 0.00 149 L 7.91 4.00 0.00 1.78 1.75 0.95 0.47 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 0.00 150 L 8.30 3.92 0.00 1.85 1.74 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 151 E 8.92 4.01 0.00 2.12 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 2.32 2.32 0.00 152 A 8.53 4.15 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 M 7.62 4.74 0.00 2.19 2.07 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.39 0.00 154 R 7.42 4.04 0.00 2.04 1.82 0.00 3.26 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 * Residues marked with a * may have inaccurate shift predictions.