NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 S 4.5040 8.3231 115.4233 57.7325 64.7496 174.0237 18 G 3.7514 8.7232 107.1474 47.2741 0.0000 174.1754 19 L 4.2389 8.2671 122.9103 57.7050 42.6198 177.0536 20 K 4.1415 8.2911 119.3140 59.5058 31.8204 178.7720 21 K 4.1633 7.9360 117.3666 58.8571 32.0131 178.4686 22 F 4.4027 8.7709 116.8197 58.1370 40.7254 175.4538 23 F 4.9381 8.1188 117.3184 55.3227 38.9972 174.1202 24 P 4.1532 0.0000 0.0000 64.6320 31.6959 177.4198 25 Y 4.6907 7.6944 113.9353 57.5062 39.4163 175.2600 26 S 4.8455 7.8554 115.5794 56.9236 65.7451 173.9613 27 T 4.4480 8.5098 114.0793 62.2759 70.3853 173.9254 28 N 5.5055 8.0611 118.7985 51.4992 42.9550 173.6232 29 V 4.5494 8.5292 113.4321 59.4632 36.4711 175.1215 30 L 4.8006 8.8678 122.7283 54.5994 43.3047 176.5370 31 K 4.4230 8.6842 123.0999 55.3836 34.7990 175.9828 32 G 3.5648 9.0442 117.2699 45.1751 0.0000 171.6244 33 A 4.3033 7.8566 120.4907 52.9498 19.1099 175.9951 34 A 4.2264 9.1002 122.8741 51.6505 17.3352 178.7618 35 A 4.9116 7.3832 115.4068 50.7757 21.1582 176.2036 36 D 5.4335 8.5456 118.6899 51.7436 43.1357 174.5484 37 I 4.8282 8.7289 111.7860 58.7037 41.4910 174.3665 38 A 4.4994 8.6224 125.3603 51.2943 18.9893 176.8257 39 L 3.7482 8.7597 124.5324 55.0755 42.3142 175.5202 40 P 4.6066 0.0000 0.0000 62.1583 32.4731 176.4150 41 S 4.2688 8.5989 114.1123 59.2244 63.8025 174.1098 42 L 3.6140 8.1067 119.3888 54.7665 39.1768 174.0744 43 A 4.4045 8.0568 119.4132 53.8186 18.8009 179.3930 44 G 4.0137 9.9408 110.3059 45.6808 0.0000 174.0306 45 K 4.6678 7.7437 119.2247 55.8075 34.6336 175.6300 46 T 4.7956 8.4261 118.1165 62.4384 70.5228 174.1700 47 V 4.7122 8.8220 126.3937 61.1153 34.2154 174.0037 48 F 5.2157 9.1930 127.4049 56.0560 41.0628 174.7672 49 F 4.6212 9.2339 123.6832 56.4560 40.5979 174.2711 50 Y 5.0492 8.8945 126.4845 55.9713 40.6013 174.3405 51 F 4.9427 9.1699 127.5347 56.1221 40.2676 175.2792 52 S 4.5239 8.0039 116.7083 57.7319 64.4964 172.3049 53 A 4.4142 7.5706 121.8956 50.5837 21.2386 177.7153 54 S 3.7520 8.4021 115.0687 60.6876 63.0796 176.0509 55 W 4.5930 6.9072 115.4490 56.2981 28.0134 175.4704 56 C 4.7221 7.4083 119.8901 57.0996 31.9770 172.5466 57 P 4.3143 0.0000 0.0000 65.1842 31.0558 176.9238 58 P 4.3730 0.0000 0.0000 65.8351 31.1183 178.2103 59 C 4.3152 8.0797 116.3143 62.9270 27.9160 175.8148 60 R 4.0767 7.8644 118.7224 59.3509 29.6904 178.0694 61 A 4.2203 7.9379 120.0105 54.7967 18.7475 178.9758 62 F 4.7265 8.4214 120.5302 60.6404 39.5480 177.4698 63 T 3.8414 8.4542 116.1040 66.6219 68.3243 174.4735 64 P 4.3418 0.0000 0.0000 65.6449 30.8105 178.7401 65 Q 3.9631 7.8479 116.5471 58.7430 28.5973 178.2820 66 L 3.7221 7.3753 121.4809 57.8435 42.0055 179.0684 67 I 3.8890 8.3641 120.2431 64.5240 37.1003 178.0650 68 D 4.4079 8.3317 119.8475 57.4059 40.6566 178.7231 69 F 4.1237 8.4212 121.1801 61.2764 39.3650 176.5214 70 Y 4.4963 8.7838 119.7606 60.8568 38.5209 178.3064 71 K 3.8388 8.1969 118.0750 59.6954 32.7495 178.3430 72 A 4.0994 7.5659 119.6661 53.4153 19.0247 177.3992 73 H 4.5304 7.8858 111.1054 54.5926 31.1765 174.8181 74 A 2.5800 7.3926 122.7275 55.3421 18.5384 179.3860 75 E 3.6221 7.5480 114.3325 58.9487 30.2982 179.0888 76 K 3.7156 8.0514 120.9457 60.0614 32.1453 178.4026 77 K 4.0118 8.1001 117.3593 54.4530 32.7574 177.5222 78 N 4.1246 7.9248 116.4294 55.3184 37.2731 171.8225 79 F 5.7404 7.6607 112.5072 55.5169 42.3597 174.9361 80 E 5.2045 9.6581 119.1821 54.6609 33.8706 174.0582 81 V 4.9251 9.5115 122.4753 61.2031 35.1700 173.8574 82 M 5.2038 9.0841 126.7490 53.4970 35.6340 173.8226 83 L 4.6310 9.2348 129.2739 55.0347 43.9493 175.3806 84 I 4.7027 8.6636 128.1028 59.6472 38.9924 174.4931 85 S 5.1021 8.9133 122.7293 57.2299 63.2624 173.5429 86 W 5.2443 8.9534 126.8794 56.9076 29.5074 176.5514 87 D 4.9300 8.6813 120.0843 54.7238 40.7820 176.5848 88 E 4.4660 8.9823 120.3305 58.4524 30.3077 177.2472 89 S 4.7471 7.6429 112.0104 55.8392 67.1651 174.7538 90 A 3.0178 8.2962 123.9090 54.8763 18.1956 179.9179 91 E 3.9048 7.9655 116.6812 59.7234 29.6782 179.0868 92 D 4.4010 8.0344 118.9199 57.1904 40.8334 178.4960 93 F 4.1688 8.1022 121.1410 61.2478 39.3082 176.9191 94 K 3.9596 8.3182 119.1390 59.9533 31.7953 178.4881 95 D 4.3902 7.8046 117.1320 57.2359 41.0644 177.8833 96 Y 4.2952 7.9678 120.2962 60.8090 38.9262 176.9391 97 Y 3.9890 8.1925 120.4180 60.0110 38.5658 177.1763 98 A 3.7172 7.3690 120.7435 54.1938 18.3017 177.9339 99 K 4.2087 6.8419 114.0699 56.3047 32.2059 176.2151 100 M 4.0267 7.1216 118.1852 52.6643 34.7073 174.0921 101 P 4.3007 0.0000 0.0000 62.8688 32.6237 175.7352 102 W 5.0194 6.1482 117.1417 55.7381 31.0242 175.4409 103 L 5.0875 8.6023 118.9070 54.6489 43.6560 175.6370 104 A 5.1932 8.4942 120.6597 50.2393 22.9041 175.3968 105 L 4.4915 8.6608 123.8919 54.0524 43.0260 175.2782 106 P 4.2330 0.0000 0.0000 62.8755 31.9534 176.8407 107 F 3.5660 8.1859 124.6788 61.1687 39.2404 176.2682 108 E 3.9417 8.0688 118.3833 58.9392 29.6317 177.7211 109 D 4.5676 7.7002 120.5345 53.2639 38.0599 176.6762 110 R 3.7835 7.4621 122.5956 58.5912 30.6101 178.5024 111 K 3.9336 7.7895 118.2391 59.2108 31.9669 179.4111 112 G 3.9172 8.6693 107.8770 47.5051 0.0000 175.4774 113 M 4.2686 8.1013 120.3834 58.5413 32.1985 178.2061 114 E 4.0384 8.4954 118.8922 59.2702 29.5429 178.9829 115 F 4.1695 8.7175 121.0104 61.5663 39.4955 177.2879 116 L 4.1409 8.3549 118.5093 57.9339 41.3606 179.5508 117 T 3.9636 8.6228 116.1672 66.9995 68.4930 176.8196 118 T 3.9134 8.3540 118.0103 66.5724 68.2712 177.0102 119 G 3.1923 7.8594 108.9326 48.2492 0.0000 174.2701 120 F 4.3554 8.1341 115.8002 56.5027 39.8021 174.8929 121 D 4.1860 7.4846 119.6247 55.0075 39.5901 174.4299 122 V 3.7776 8.0216 118.6958 62.3727 31.8040 175.3671 123 K 4.5689 8.2899 126.3778 56.5623 33.1968 175.9156 124 S 4.7978 7.2659 111.3978 57.7654 65.0151 174.4257 125 I 4.4648 7.8622 113.5298 57.8581 40.1959 173.2858 126 P 4.5718 0.0000 0.0000 63.1954 32.3861 175.5714 127 T 4.6145 8.4484 117.6842 61.6911 72.2449 172.5936 128 L 5.3459 8.6291 127.3050 53.3770 44.7506 175.5055 129 V 4.5745 8.9869 126.0909 61.0229 35.2352 174.0946 130 G 3.9530 8.9885 114.5099 44.4008 0.0000 172.6582 131 V 5.0290 8.7938 117.7835 59.2310 36.0887 174.5682 132 E 4.4741 9.0328 124.7158 55.5120 29.7458 176.8287 133 A 4.0337 8.6192 130.4552 55.5276 18.4852 178.5493 134 D 4.4754 8.4073 114.3062 56.9751 41.0549 177.4529 135 S 4.5124 8.1652 110.7669 57.6346 64.4092 175.1473 136 G 4.1941 8.7633 108.9496 45.5889 0.0000 173.1930 137 N 4.6845 7.8819 117.1446 52.3204 39.3843 174.7012 138 I 4.3535 8.2443 123.0313 61.6471 38.2383 175.9601 139 I 4.0775 9.1587 127.0790 63.2711 37.9277 175.8614 140 T 5.1574 7.5371 113.4678 60.7254 70.2389 173.5838 141 T 4.5207 9.1561 116.8385 61.4775 69.3198 174.3905 142 Q 4.4757 8.0450 118.7291 55.9525 29.0802 177.2819 143 A 3.5543 8.0743 123.0096 55.4723 18.0796 180.2269 144 R 3.3341 7.7360 116.0667 59.1743 30.2177 177.9602 145 T 4.0424 7.3394 114.5675 65.7420 69.1807 176.7128 146 M 3.5498 7.5549 120.5880 57.4805 31.4775 178.8384 147 V 3.4428 7.1957 118.1738 65.4358 31.5993 177.7206 148 V 4.0399 7.4446 110.5020 63.1999 32.0815 177.8696 149 K 4.2211 7.4587 117.4590 57.4500 33.6324 176.7359 150 D 5.0596 8.3465 117.9858 51.8242 40.9798 174.1476 151 P 4.7327 0.0000 0.0000 65.7984 32.0298 177.7995 152 E 4.1616 8.3809 114.2703 55.9395 30.0798 175.8923 153 A 4.0282 8.1292 123.4290 53.9085 15.6467 178.1390 154 K 4.2359 8.8594 128.6838 57.4289 33.1812 180.8453 155 D 4.8109 8.3195 115.0638 53.8873 40.2953 178.3952 156 F 2.4964 7.4989 121.2132 58.4140 39.5949 172.5527 157 P 2.9700 0.0000 0.0000 61.9548 31.5861 175.9602 158 W 3.7283 7.6669 115.6742 57.5983 27.1061 173.5801 159 P 4.5351 0.0000 0.0000 63.5073 32.1500 177.5768 160 N 4.6622 8.8505 118.7889 52.9206 38.5955 175.3064 161 V 3.0886 7.6439 112.6718 62.9690 28.7060 174.2099 *162 E 4.2236 7.9868 121.5959 56.5723 30.2635 177.7710 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 17 S 8.32 4.50 0.00 4.05 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 18 G 8.72 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 0.00 0.00 0.00 19 L 8.27 4.24 0.00 1.85 1.80 0.86 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.29 4.14 0.00 2.10 2.17 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.44 1.36 7.81 21 K 7.94 4.16 0.00 1.97 1.85 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.78 1.67 7.81 22 F 8.77 4.40 0.00 3.04 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 23 F 8.12 4.94 0.00 3.14 3.15 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 0.00 0.00 0.00 24 P 0.00 4.15 0.00 1.01 1.50 0.00 3.37 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.44 0.00 25 Y 7.69 4.69 0.00 3.29 2.95 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 26 S 7.86 4.85 0.00 4.14 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 27 T 8.51 4.45 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 1.23 0.00 0.00 28 N 8.06 5.51 0.00 2.63 2.78 0.00 0.00 6.92 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 29 V 8.53 4.55 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 0.53 0.00 0.00 0.92 0.00 0.00 30 L 8.87 4.80 0.00 1.58 1.80 1.16 0.54 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 31 K 8.68 4.42 0.00 1.78 1.72 0.00 1.93 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.47 7.81 32 G 9.04 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 A 7.86 4.30 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 34 A 9.10 4.23 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 35 A 7.38 4.91 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 36 D 8.55 5.43 0.00 2.73 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 37 I 8.73 4.83 1.88 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 1.33 0.67 0.93 0.00 0.00 38 A 8.62 4.50 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 39 L 8.76 3.75 0.00 1.68 1.59 0.07 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.61 0.00 2.21 2.01 0.00 3.66 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.92 0.00 41 S 8.60 4.27 0.00 4.03 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.11 3.61 0.00 1.86 1.76 0.92 0.87 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 43 A 8.06 4.40 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 44 G 9.94 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 K 7.74 4.67 0.00 1.95 1.81 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.62 1.43 7.81 46 T 8.43 4.80 4.43 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 0.71 0.00 0.00 47 V 8.82 4.71 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 0.43 0.00 0.00 0.91 0.00 0.00 48 F 9.19 5.22 0.00 2.99 2.78 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 49 F 9.23 4.62 0.00 2.70 2.64 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 50 Y 8.89 5.05 0.00 2.59 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 F 9.17 4.94 0.00 2.69 2.33 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 52 S 8.00 4.52 0.00 2.72 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 53 A 7.57 4.41 0.27 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 54 S 8.40 3.75 0.00 3.89 3.77 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 55 W 6.91 4.59 0.00 3.52 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 C 7.41 4.72 0.00 2.40 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 57 P 0.00 4.31 0.00 2.25 2.14 0.00 3.75 0.00 0.00 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.22 0.00 58 P 0.00 4.37 0.00 2.26 2.32 0.00 3.65 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 59 C 8.08 4.32 0.00 3.21 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 60 R 7.86 4.08 0.00 2.03 2.21 0.00 3.31 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 61 A 7.94 4.22 1.39 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 62 F 8.42 4.73 0.00 3.14 3.22 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 0.00 63 T 8.45 3.84 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 64 P 0.00 4.34 0.00 2.14 2.08 0.00 3.68 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 65 Q 7.85 3.96 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.92 0.00 0.00 0.00 0.00 0.00 2.47 2.42 0.00 66 L 7.38 3.72 0.00 0.42 1.37 0.45 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.36 3.89 1.96 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.88 0.81 0.00 0.00 68 D 8.33 4.41 0.00 2.90 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 69 F 8.42 4.12 0.00 3.29 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 8.78 4.50 0.00 3.64 3.41 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 71 K 8.20 3.84 0.00 1.95 2.13 0.00 1.63 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.56 7.81 72 A 7.57 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 H 7.89 4.53 0.00 2.81 2.90 0.00 5.66 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.39 2.58 0.49 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 75 E 7.55 3.62 0.00 1.84 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 2.26 2.25 0.00 76 K 8.05 3.72 0.00 1.90 1.71 0.00 1.94 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.43 1.02 7.81 77 K 8.10 4.01 0.00 1.78 1.69 0.00 2.01 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.38 1.24 7.81 78 N 7.92 4.12 0.00 2.94 2.86 0.00 0.00 6.57 7.02 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 79 F 7.66 5.74 0.00 3.48 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 80 E 9.66 5.20 0.00 2.19 1.88 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 2.28 2.38 0.00 81 V 9.51 4.93 1.59 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 -0.42 0.00 0.00 0.88 0.00 0.00 82 M 9.08 5.20 0.00 1.81 1.69 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 83 L 9.23 4.63 0.00 2.15 1.67 1.06 0.89 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 84 I 8.66 4.70 0.85 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 0.77 0.84 1.02 0.00 0.00 85 S 8.91 5.10 0.00 4.46 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 86 W 8.95 5.24 0.00 3.13 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 87 D 8.68 4.93 0.00 3.07 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 88 E 8.98 4.47 0.00 2.32 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 2.29 1.86 0.00 89 S 7.64 4.75 0.00 4.15 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 90 A 8.30 3.02 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 91 E 7.97 3.90 0.00 2.07 2.02 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 2.41 2.47 0.00 92 D 8.03 4.40 0.00 2.97 2.78 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 93 F 8.10 4.17 0.00 2.78 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 K 8.32 3.96 0.00 2.11 2.02 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.59 7.81 95 D 7.80 4.39 0.00 2.77 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 96 Y 7.97 4.30 0.00 3.10 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 97 Y 8.19 3.99 0.00 2.32 2.45 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 98 A 7.37 3.72 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 99 K 6.84 4.21 0.00 1.56 1.63 0.00 1.57 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.25 7.81 100 M 7.12 4.03 0.00 0.57 1.45 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 2.06 1.98 0.00 101 P 0.00 4.30 0.00 2.22 1.96 0.00 2.20 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.60 0.00 102 W 6.15 5.02 0.00 3.40 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 0.00 103 L 8.60 5.09 0.00 1.85 1.71 0.95 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 104 A 8.49 5.19 0.63 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 0.00 105 L 8.66 4.49 0.00 1.93 1.74 1.36 0.94 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 0.00 106 P 0.00 4.23 0.00 2.22 2.12 0.00 3.75 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 2.24 2.14 0.00 107 F 8.19 3.57 0.00 1.51 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 0.00 108 E 8.07 3.94 0.00 1.96 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 2.44 0.00 109 D 7.70 4.57 0.00 2.83 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 0.00 110 R 7.46 3.78 0.00 1.68 1.79 0.00 2.55 0.00 0.00 3.02 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.40 0.00 111 K 7.79 3.93 0.00 0.92 0.96 0.00 1.13 0.00 0.00 1.26 0.00 0.00 2.79 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.25 1.20 7.81 112 G 8.67 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 0.00 113 M 8.10 4.27 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.04 3.10 0.00 114 E 8.50 4.04 0.00 2.25 2.02 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 2.31 2.46 0.00 115 F 8.72 4.17 0.00 3.40 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 0.00 116 L 8.35 4.14 0.00 2.11 2.18 1.00 0.85 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 0.00 117 T 8.62 3.96 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 118 T 8.35 3.91 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 1.09 0.00 0.00 119 G 7.86 3.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.13 4.36 0.00 3.00 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 0.00 121 D 7.48 4.19 0.00 2.73 2.64 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 0.00 122 V 8.02 3.78 1.86 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 0.32 0.00 0.00 -0.19 0.00 0.00 123 K 8.29 4.57 0.00 1.80 1.88 0.00 1.84 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.60 7.81 124 S 7.27 4.80 0.00 3.97 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 0.00 125 I 7.86 4.46 1.43 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.49 -0.31 0.00 0.00 126 P 0.00 4.57 0.00 2.24 2.22 0.00 3.64 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 1.86 2.01 0.00 127 T 8.45 4.61 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 128 L 8.63 5.35 0.00 1.67 1.48 0.83 0.67 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 0.00 129 V 8.99 4.57 1.77 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 1.21 0.00 0.00 0.92 0.00 0.00 130 G 8.99 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 0.00 0.00 0.00 131 V 8.79 5.03 2.30 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 1.07 0.00 0.00 0.99 0.00 0.00 132 E 9.03 4.47 0.00 2.03 1.86 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 2.38 2.27 0.00 133 A 8.62 4.03 1.39 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 0.00 134 D 8.41 4.48 0.00 2.69 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 0.00 135 S 8.17 4.51 0.00 4.06 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 0.00 136 G 8.76 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 N 7.88 4.68 0.00 2.90 2.77 0.00 0.00 7.02 7.43 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 0.00 138 I 8.24 4.35 1.95 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.60 1.08 0.00 0.00 139 I 9.16 4.08 1.84 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 1.21 0.79 0.00 0.00 140 T 7.54 5.16 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 1.41 0.00 0.00 141 T 9.16 4.52 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 0.00 142 Q 8.04 4.48 0.00 2.14 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.83 0.00 0.00 0.00 0.00 0.00 2.28 2.20 0.00 143 A 8.07 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 144 R 7.74 3.33 0.00 1.53 1.68 0.00 3.08 0.00 0.00 2.81 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.14 0.00 145 T 7.34 4.04 4.15 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 0.00 0.00 1.06 0.00 0.00 146 M 7.55 3.55 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.29 0.00 147 V 7.20 3.44 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 0.64 0.00 0.00 0.29 0.00 0.00 148 V 7.44 4.04 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 0.94 0.00 0.00 149 K 7.46 4.22 0.00 1.53 1.80 0.00 1.51 0.00 0.00 1.56 0.00 0.00 2.96 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.41 1.50 7.81 150 D 8.35 5.06 0.00 2.78 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 0.00 151 P 0.00 4.73 0.00 2.19 2.24 0.00 3.82 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 2.10 2.32 0.00 152 E 8.38 4.16 0.00 2.02 2.02 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 2.37 2.29 0.00 153 A 8.13 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 K 8.86 4.24 0.00 1.65 1.70 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.25 7.81 155 D 8.32 4.81 0.00 2.60 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 0.00 156 F 7.50 2.50 0.00 2.36 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 0.00 157 P 0.00 2.97 0.00 1.54 0.67 0.00 3.75 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 158 W 7.67 3.73 0.00 3.50 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 P 0.00 4.54 0.00 2.03 1.97 0.00 3.71 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 160 N 8.85 4.66 0.00 2.83 2.83 0.00 0.00 6.93 7.61 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 0.00 161 V 7.64 3.09 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 0.68 0.00 0.00 0.93 0.00 0.00 *162 E 7.99 4.22 0.00 1.73 1.79 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.