NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 34 P 4.2966 0.0000 0.0000 62.6549 32.3999 175.5162 35 A 4.0946 8.0161 123.3020 50.7558 21.6776 169.9974 36 V 4.5819 8.8005 115.5598 59.7052 35.3399 173.5324 37 F 4.8555 8.8670 121.8242 55.7816 41.4169 174.6026 38 L 5.2927 8.4627 122.5762 51.8725 44.1198 175.9731 *40 K 4.1599 8.5286 123.3907 56.1822 33.1853 175.6164 41 T 4.2198 9.0151 123.8930 63.4769 69.0421 175.1739 42 I 3.6725 8.6283 123.9067 64.0550 38.1509 176.6320 43 E 4.3352 8.2199 118.4493 56.1427 29.2552 177.7331 44 G 3.9999 8.1677 109.8034 45.1387 0.0000 174.2754 45 E 4.1008 7.8744 120.6213 56.5055 31.0374 175.4179 46 D 4.9914 8.6584 125.8695 53.7950 41.7946 175.7923 47 I 4.8310 8.4595 124.1561 59.4395 40.9096 174.6905 48 S 5.7496 8.4124 117.3522 55.9895 67.3663 173.2106 49 I 4.8641 8.2233 120.6818 59.3779 40.4891 173.3139 50 P 4.8709 0.0000 0.0000 62.0696 32.9086 175.3253 51 N 4.7812 8.4069 117.1749 50.9081 39.3881 175.5071 52 K 3.6154 9.0170 123.0727 58.4001 32.6866 176.7039 53 G 4.0581 8.7941 116.4363 45.6372 0.0000 171.9589 54 Q 4.6021 7.3355 114.7843 54.8323 32.3110 173.8622 55 K 4.5407 8.5407 125.9165 56.4480 34.2152 175.5854 56 T 5.1923 8.8297 121.1228 61.9350 72.5114 172.9819 57 I 4.9475 9.1544 127.8214 60.0922 38.8510 174.2947 58 L 5.0739 8.8606 130.4939 53.6800 43.9320 174.5720 59 H 5.4433 8.8616 125.7479 54.3698 33.1164 171.8359 60 F 5.3379 8.8008 124.1035 55.5385 41.7261 174.6010 61 W 4.9513 8.2744 119.2374 55.9847 31.8129 172.9352 62 T 4.6507 8.0734 109.7562 59.6080 70.9894 174.2768 63 S 3.7227 9.0780 117.6558 60.2936 63.1739 175.5941 64 W 4.4083 7.4838 116.5361 57.7859 28.8146 176.1909 65 C 3.6455 6.6969 119.6484 58.9597 31.0955 171.9661 66 P 4.2912 0.0000 0.0000 65.4988 30.7288 176.9417 67 P 4.3063 0.0000 0.0000 65.5281 31.2279 178.6056 68 C 4.1916 7.9320 115.3181 62.5190 27.9557 175.4971 69 K 3.9770 8.0840 120.6495 59.5557 31.9037 178.3440 70 K 4.2173 7.5913 115.1382 58.3506 33.0564 177.6499 71 E 4.2505 7.7061 119.3394 58.0564 29.7867 177.6617 72 L 3.8972 8.0150 119.4775 57.4781 41.5501 177.6562 73 P 4.3876 0.0000 0.0000 65.2520 31.2407 178.3937 74 Q 3.8825 7.9726 118.8593 59.1949 28.9015 178.3007 75 F 3.8455 8.0983 118.3737 60.0318 38.8525 177.4679 76 Q 4.3435 8.3122 119.4408 59.3002 28.9761 178.0402 77 S 4.1026 8.3777 114.4362 61.4769 62.5053 175.7650 78 F 4.1750 8.1200 123.1603 61.6252 38.8572 176.4241 79 Y 3.7419 8.0233 117.7022 60.7804 38.6846 177.4483 80 D 4.3607 8.3549 118.8851 57.1846 40.9941 178.2852 81 A 3.9888 7.9446 120.2062 52.5827 19.7709 176.7671 82 H 3.5759 7.3249 115.1867 56.5614 28.5247 172.3644 83 P 4.3420 0.0000 0.0000 64.7629 32.0250 177.3681 84 S 4.7308 7.4823 109.7329 56.5146 65.1826 172.9694 85 D 4.7092 8.6178 124.0461 54.9090 41.9633 177.2666 86 S 4.7517 7.9872 113.0648 57.9341 64.3300 173.6618 87 V 4.9300 7.6564 119.8062 61.2467 34.4341 174.2084 88 K 4.6406 9.5768 129.7497 54.5519 34.5278 174.3901 89 L 5.1906 8.8665 130.3520 54.3050 42.9191 175.7678 90 V 4.6343 8.9258 126.6282 60.1527 34.4147 174.6614 91 T 5.0174 8.5940 119.7682 61.6827 71.9772 173.1486 92 V 4.4121 8.9983 126.8365 60.8993 33.5446 173.8563 93 N 3.6351 8.8758 128.4261 52.6582 40.0819 174.9785 94 L 4.5366 8.0314 128.0277 53.1464 40.4264 177.6588 95 V 3.6957 7.5356 121.7892 63.9570 31.8516 178.8263 96 N 4.5064 8.0701 115.3902 54.7930 38.5344 175.3793 97 S 4.7748 8.0367 113.9295 58.1146 63.1150 173.4464 98 E 4.8864 7.9038 120.0461 54.1369 31.9707 175.8602 99 Q 4.0215 8.5950 121.4961 58.4664 29.1165 176.5701 100 N 4.6788 7.3691 111.5108 51.1189 39.8686 174.4328 101 Q 3.9393 8.5287 117.7225 59.2849 28.9429 177.7090 102 Q 3.9490 8.1227 120.3735 59.0238 29.0930 178.0192 103 V 3.6342 8.3882 119.5881 66.1010 31.4562 178.1501 104 V 3.6357 7.4373 117.0500 66.1301 31.4418 177.4074 105 E 3.9814 8.2804 118.4711 59.9458 29.3311 179.4488 106 D 4.3922 8.5826 118.7426 57.2949 40.8567 178.5930 107 F 4.0845 8.5466 121.1994 61.4323 39.4393 177.1802 108 I 3.6950 8.4359 119.7261 64.2190 36.9426 178.2120 109 K 3.8067 8.1627 120.0584 59.6496 31.8764 178.6209 110 A 3.9883 8.4100 119.9716 54.7750 18.3497 178.3384 111 N 4.4289 7.8035 112.0258 51.8018 39.3115 175.1767 112 K 3.7018 7.6477 118.9400 57.1445 30.3782 175.6350 113 L 4.1086 7.6316 117.9412 54.8138 41.9878 177.6531 114 T 4.2963 8.8481 120.1616 63.0329 70.4628 174.6230 115 F 2.9741 6.6020 115.7869 54.8586 38.9615 173.0156 116 P 4.7934 0.0000 0.0000 62.4924 32.3065 175.4664 117 I 5.1103 8.6898 125.1194 59.4823 40.3346 174.6509 118 V 4.6139 9.2130 127.6913 61.0094 34.1224 174.1614 119 L 4.6353 8.3470 127.3521 53.1100 42.2843 177.4615 120 D 4.6207 8.4886 127.1994 53.1986 39.8226 176.9473 121 S 4.1329 7.8615 118.1091 61.1582 62.5447 176.0755 122 K 4.2052 8.1102 117.4008 55.9786 32.4844 177.9319 123 G 3.9355 7.9339 106.4593 45.2553 0.0000 174.7097 124 E 4.1629 7.8272 121.8113 59.3190 29.8063 179.8736 125 L 3.9497 8.0304 114.5692 55.6328 41.5212 178.6246 *127 K 4.1412 8.1794 121.3780 56.4813 33.6589 177.5106 128 E 3.7817 8.8067 118.5566 58.8869 29.5557 176.8757 129 Y 4.1118 7.9120 113.4105 56.9347 38.4300 175.1305 130 H 3.9963 7.3392 115.6077 56.7884 26.7978 175.7419 131 I 4.0064 7.4647 118.6716 61.0738 37.5563 176.4472 132 I 4.4874 8.3476 124.8758 60.9366 39.5557 175.7968 133 T 4.7492 7.7453 115.5574 61.3786 71.6937 173.1285 134 I 4.7376 7.8721 116.6978 58.3882 40.8813 173.3372 135 P 4.8776 0.0000 0.0000 62.4307 32.9580 175.3095 136 T 5.0999 8.3654 117.6915 62.1092 72.8790 173.0412 137 S 5.3738 9.3210 121.5217 56.8319 67.1686 173.1064 138 F 5.4381 9.5413 121.3957 55.6678 43.2432 173.9035 139 L 4.8864 8.5025 124.1179 53.5908 43.5607 175.0230 140 L 5.2861 9.1082 127.3359 53.0723 44.7185 176.9473 141 N 5.1524 8.5224 120.1519 51.6708 39.1430 175.6262 142 E 4.1778 8.6747 116.6254 58.9263 29.4505 178.0962 143 K 4.2461 8.2390 116.1751 55.8971 32.5544 177.2963 144 G 4.0022 8.2888 107.4511 45.5008 0.0000 173.7891 145 E 4.1339 8.3824 119.9688 55.7141 30.1240 176.3032 146 I 4.3756 8.1846 123.9528 61.0729 37.3119 175.4590 147 E 4.3034 9.2540 126.5588 58.0783 30.2785 177.5354 148 K 4.6527 7.5988 116.9165 54.6842 36.5026 175.5880 149 T 5.0392 8.5738 118.9205 61.6868 72.2239 173.2204 150 K 4.5607 9.4149 127.1444 54.8165 35.2807 174.6181 151 I 4.6017 8.4342 128.8084 61.1040 38.4659 175.8798 152 G 3.8131 9.1463 113.5763 43.7517 0.0000 170.8292 153 P 4.8213 0.0000 0.0000 61.8352 32.0581 176.4101 *155 T 3.9252 8.0641 107.9279 61.5875 70.8772 174.2992 156 A 3.6896 8.1465 123.2848 55.3552 18.2143 180.0171 157 E 3.8242 7.8490 117.3557 59.4739 29.8753 178.8230 158 Q 3.7731 7.7561 118.1155 58.6671 28.4166 178.6686 159 L 3.2916 7.1203 119.3510 57.2756 41.6890 179.1359 160 K 4.2461 7.6983 119.6635 59.4104 32.1470 178.5216 161 E 4.4551 8.1979 121.0909 58.6444 29.3622 178.8033 162 W 4.4988 8.1058 117.8659 59.8496 29.0901 178.0979 163 T 4.2682 7.8116 115.0950 65.8308 68.2150 174.4935 164 E 4.2000 8.2853 125.1118 56.5689 29.6054 176.3719 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 34 P 0.00 4.30 0.00 2.01 2.04 0.00 3.63 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.05 0.00 35 A 8.02 4.09 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 V 8.80 4.58 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 0.71 0.00 0.00 0.90 0.00 0.00 37 F 8.87 4.86 0.00 3.05 3.03 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 38 L 8.46 5.29 0.00 1.53 1.59 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 *40 K 8.53 4.16 0.00 1.76 1.78 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.68 7.81 41 T 9.02 4.22 4.51 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 1.35 0.00 0.00 42 I 8.63 3.67 2.05 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 1.32 0.63 0.91 0.00 0.00 43 E 8.22 4.34 0.00 2.11 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 2.32 2.32 0.00 44 G 8.17 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 0.00 0.00 0.00 45 E 7.87 4.10 0.00 2.10 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 2.42 2.39 0.00 46 D 8.66 4.99 0.00 2.63 2.63 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 47 I 8.46 4.83 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.21 0.96 0.00 0.00 48 S 8.41 5.75 0.00 3.90 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 49 I 8.22 4.86 2.16 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.91 1.01 0.00 0.00 50 P 0.00 4.87 0.00 2.11 2.15 0.00 3.56 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.20 0.00 51 N 8.41 4.78 0.00 2.82 2.83 0.00 0.00 6.86 7.63 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 52 K 9.02 3.62 0.00 1.73 1.79 0.00 1.94 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.49 7.81 53 G 8.79 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 0.00 0.00 0.00 54 Q 7.34 4.60 0.00 2.20 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.94 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 55 K 8.54 4.54 0.00 2.09 1.69 0.00 1.64 0.00 0.00 1.66 0.00 0.00 3.10 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.59 1.42 7.81 56 T 8.83 5.19 4.31 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 1.33 0.00 0.00 57 I 9.15 4.95 2.13 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.86 1.24 0.00 0.00 58 L 8.86 5.07 0.00 1.79 1.68 0.65 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 59 H 8.86 5.44 0.00 3.13 2.81 0.00 5.78 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 60 F 8.80 5.34 0.00 3.03 2.83 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 61 W 8.27 4.95 0.00 3.35 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 62 T 8.07 4.65 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 0.92 0.00 0.00 63 S 9.08 3.72 0.00 2.72 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 64 W 7.48 4.41 0.00 3.55 3.23 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 65 C 6.70 3.65 0.00 2.16 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 66 P 0.00 4.29 0.00 2.24 2.15 0.00 3.70 0.00 0.00 4.09 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 67 P 0.00 4.31 0.00 2.14 2.09 0.00 3.56 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 68 C 7.93 4.19 0.00 3.15 3.03 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 69 K 8.08 3.98 0.00 2.01 2.04 0.00 2.01 0.00 0.00 1.88 0.00 0.00 3.50 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.62 1.75 7.81 70 K 7.59 4.22 0.00 1.98 1.94 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.63 1.44 7.81 71 E 7.71 4.25 0.00 2.24 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 0.00 2.44 2.36 0.00 72 L 8.02 3.90 0.00 1.93 1.71 0.20 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 73 P 0.00 4.39 0.00 2.16 2.11 0.00 3.63 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 2.12 2.14 0.00 74 Q 7.97 3.88 0.00 2.25 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.82 0.00 0.00 0.00 0.00 0.00 2.18 2.27 0.00 75 F 8.10 3.85 0.00 2.63 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 0.00 0.00 0.00 0.00 76 Q 8.31 4.34 0.00 2.49 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.78 0.00 0.00 0.00 0.00 0.00 2.44 2.67 0.00 77 S 8.38 4.10 0.00 3.93 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 78 F 8.12 4.18 0.00 2.95 2.98 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 79 Y 8.02 3.74 0.00 3.13 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 D 8.35 4.36 0.00 2.91 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 81 A 7.94 3.99 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 82 H 7.32 3.58 0.00 2.92 3.13 0.00 5.96 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 P 0.00 4.34 0.00 2.15 2.14 0.00 3.17 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 2.23 2.09 0.00 84 S 7.48 4.73 0.00 3.80 3.70 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 85 D 8.62 4.71 0.00 2.71 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 86 S 7.99 4.75 0.00 3.95 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 87 V 7.66 4.93 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 0.97 0.00 0.00 1.01 0.00 0.00 88 K 9.58 4.64 0.00 1.95 1.72 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.56 7.81 89 L 8.87 5.19 0.00 2.07 1.87 1.27 1.18 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 90 V 8.93 4.63 2.12 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 0.77 0.00 0.00 0.89 0.00 0.00 91 T 8.59 5.02 4.84 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 1.84 0.00 0.00 92 V 9.00 4.41 0.95 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 0.81 0.00 0.00 0.32 0.00 0.00 93 N 8.88 3.64 0.00 1.83 2.24 0.00 0.00 6.81 6.63 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 94 L 8.03 4.54 0.00 1.61 1.55 0.89 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 95 V 7.54 3.70 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 0.85 0.00 0.00 0.89 0.00 0.00 96 N 8.07 4.51 0.00 2.73 2.91 0.00 0.00 6.82 7.57 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 97 S 8.04 4.77 0.00 4.08 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 98 E 7.90 4.89 0.00 2.08 1.87 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 2.40 2.38 0.00 99 Q 8.59 4.02 0.00 1.98 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.71 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 100 N 7.37 4.68 0.00 2.93 2.89 0.00 0.00 5.74 7.44 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 0.00 101 Q 8.53 3.94 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.94 0.00 0.00 0.00 0.00 0.00 2.53 2.40 0.00 102 Q 8.12 3.95 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.63 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 103 V 8.39 3.63 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.02 0.00 0.00 104 V 7.44 3.64 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.97 0.00 0.00 105 E 8.28 3.98 0.00 2.31 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 2.36 2.46 0.00 106 D 8.58 4.39 0.00 2.90 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 0.00 107 F 8.55 4.08 0.00 3.33 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 I 8.44 3.70 2.09 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 1.69 1.06 0.89 0.00 0.00 109 K 8.16 3.81 0.00 1.97 1.96 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.44 7.81 110 A 8.41 3.99 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 0.00 111 N 7.80 4.43 0.00 2.27 2.55 0.00 0.00 7.19 7.34 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 0.00 112 K 7.65 3.70 0.00 1.81 1.79 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.32 7.81 113 L 7.63 4.11 0.00 1.48 0.90 0.80 0.60 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 0.00 114 T 8.85 4.30 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 1.38 0.00 0.00 115 F 6.60 2.97 0.00 2.74 2.28 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 0.00 116 P 0.00 4.79 0.00 2.26 2.09 0.00 3.88 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.04 0.00 117 I 8.69 5.11 1.94 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 1.48 0.89 1.12 0.00 0.00 118 V 9.21 4.61 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 0.76 0.00 0.00 0.93 0.00 0.00 119 L 8.35 4.64 0.00 1.51 1.53 0.84 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 120 D 8.49 4.62 0.00 2.71 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 S 7.86 4.13 0.00 3.90 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 K 8.11 4.21 0.00 1.82 1.86 0.00 1.76 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.49 1.39 7.81 123 G 7.93 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 E 7.83 4.16 0.00 2.30 2.26 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 2.40 2.54 0.00 125 L 8.03 3.95 0.00 2.17 1.95 -0.18 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 *127 K 8.18 4.14 0.00 1.92 2.08 0.00 1.74 0.00 0.00 1.91 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.43 7.81 128 E 8.81 3.78 0.00 2.05 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 0.00 2.28 1.51 0.00 129 Y 7.91 4.11 0.00 2.89 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 0.00 130 H 7.34 4.00 0.00 3.26 3.33 0.00 5.84 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 7.46 4.01 1.59 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 0.93 -0.36 0.73 0.00 0.00 132 I 8.35 4.49 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.89 0.92 0.00 0.00 133 T 7.75 4.75 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 0.00 134 I 7.87 4.74 1.81 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.50 0.88 0.00 0.00 135 P 0.00 4.88 0.00 2.16 2.14 0.00 3.80 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.94 0.00 136 T 8.37 5.10 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 0.77 0.00 0.00 137 S 9.32 5.37 0.00 3.80 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 0.00 138 F 9.54 5.44 0.00 2.93 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 L 8.50 4.89 0.00 0.46 1.10 0.72 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 140 L 9.11 5.29 0.00 1.63 1.59 1.01 0.51 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 0.00 141 N 8.52 5.15 0.00 2.97 3.21 0.00 0.00 6.98 7.81 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 0.00 142 E 8.67 4.18 0.00 1.99 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 0.00 2.48 2.35 0.00 143 K 8.24 4.25 0.00 1.84 1.84 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.43 7.81 144 G 8.29 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 0.00 0.00 0.00 145 E 8.38 4.13 0.00 2.21 1.87 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 2.32 2.28 0.00 146 I 8.18 4.38 1.93 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.49 1.17 0.00 0.00 147 E 9.25 4.30 0.00 1.74 1.87 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 2.27 2.24 0.00 148 K 7.60 4.65 0.00 0.79 1.28 0.00 1.46 0.00 0.00 1.61 0.00 0.00 2.70 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.85 0.21 7.81 149 T 8.57 5.04 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 150 K 9.41 4.56 0.00 2.01 1.63 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.30 7.81 151 I 8.43 4.60 1.86 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.71 0.90 0.00 0.00 152 G 9.15 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 0.00 153 P 0.00 4.82 0.00 2.01 2.03 0.00 3.74 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 *155 T 8.06 3.93 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 156 A 8.15 3.69 1.35 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 0.00 0.00 0.00 157 E 7.85 3.82 0.00 2.01 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 2.32 2.39 0.00 158 Q 7.76 3.77 0.00 1.83 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.19 2.19 0.00 159 L 7.12 3.29 0.00 0.80 0.13 -0.61 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 160 K 7.70 4.25 0.00 2.03 1.96 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.53 7.81 161 E 8.20 4.46 0.00 2.12 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 0.00 2.52 2.38 0.00 162 W 8.11 4.50 0.00 3.35 3.20 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 0.00 163 T 7.81 4.27 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 164 E 8.29 4.20 0.00 2.22 1.87 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 2.35 2.46 0.00 * Residues marked with a * may have inaccurate shift predictions.