NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.3306 8.3149 120.1403 55.6661 34.2445 175.6472 7 L 4.3982 7.7081 119.1910 52.6544 42.6652 174.1715 8 H 5.0864 9.0759 116.8826 53.9424 32.7040 172.3499 9 K 4.5815 8.6683 119.8348 55.8259 33.2199 175.9339 10 E 5.0244 9.2332 124.1421 53.5852 33.0112 173.9425 11 P 4.8158 0.0000 0.0000 63.3780 32.2837 175.0050 12 A 4.9029 8.2749 121.4437 51.5876 23.0659 175.6808 13 T 4.6379 8.6905 115.0838 61.3570 72.5899 173.7175 14 L 4.2068 8.6957 128.5175 55.8991 42.2723 175.9866 15 I 4.2498 8.8424 128.1572 62.7454 37.9346 175.9506 16 K 4.6321 7.6123 121.3307 54.9781 35.7823 174.1360 17 A 4.4429 8.6563 130.4879 52.1218 19.1775 176.6651 18 I 4.1898 8.2076 124.6686 62.7125 38.5271 175.6216 19 D 4.6464 6.9741 117.2641 51.9665 41.6933 175.0931 20 G 3.8627 9.0342 106.9520 49.0971 0.0000 173.8135 21 D 5.1285 8.6098 117.4263 52.5231 41.4825 175.2797 22 T 5.2017 8.0045 108.3889 60.6063 72.2425 173.1882 23 V 4.7491 8.6188 116.8251 59.6074 36.5702 174.0153 24 K 4.9530 9.0622 126.4365 55.4574 33.6300 175.3608 25 L 5.3852 9.1852 126.8311 53.0624 46.4142 175.5256 26 M 4.8394 9.2568 122.1292 55.3588 33.4352 174.8444 27 Y 5.0065 9.1457 125.1808 55.8969 42.0951 175.4753 28 K 3.4907 9.7027 127.6785 57.3747 29.7684 176.2308 29 G 4.0168 8.6007 106.0962 44.9965 0.0000 173.6427 30 Q 4.8837 7.8850 119.0567 53.0899 32.1354 173.2336 31 P 5.1634 0.0000 0.0000 63.1038 32.2691 175.4202 32 M 4.9069 9.4578 120.2748 54.1305 35.2908 173.8019 33 T 4.7938 8.4140 117.1966 63.0871 70.5688 173.4807 34 F 5.0365 9.4348 125.1107 55.6361 41.9449 174.3129 35 R 4.9602 9.0621 124.1779 54.3691 31.9661 175.2641 36 L 4.3248 8.6358 127.4728 54.5828 42.1713 177.2364 37 L 3.8893 8.5445 124.3572 55.6308 42.8499 177.8380 38 L 3.8757 8.8228 120.3128 55.3394 39.3463 173.8386 39 V 5.0963 7.2845 110.3279 59.9456 34.4935 174.8794 40 D 4.7419 8.9262 122.9141 52.9599 42.7846 173.4102 41 T 4.9040 8.2079 108.0554 59.0903 71.4267 172.4031 42 P 4.3023 0.0000 0.0000 62.7097 32.5194 175.0662 43 E 3.7079 8.6083 124.3384 56.4927 29.8627 176.6617 *50 F 4.7890 8.6348 124.1164 57.0670 41.1120 174.5645 51 N 5.0471 7.7279 118.6087 53.0865 38.7326 174.9721 52 E 4.2693 8.0376 113.5461 56.6744 29.8708 177.9407 53 K 4.0494 7.4219 120.5789 57.0354 34.3399 177.1325 54 Y 4.2842 7.3532 113.3820 58.7149 35.6104 171.5430 55 G 3.8281 7.3566 106.0714 47.9368 0.0000 173.9107 56 P 4.2782 0.0000 0.0000 64.9366 31.6034 178.6753 57 E 4.0067 8.2126 116.5457 59.4255 29.4897 179.1205 58 A 4.0487 8.6822 121.2098 55.1236 18.0146 179.8026 59 S 4.0252 8.4909 113.8031 61.8714 62.9076 176.8047 60 A 4.0377 8.3781 123.6940 55.0145 18.0405 179.4490 61 F 3.9665 8.4380 119.0741 61.8139 39.5071 177.4327 62 T 3.8734 8.1573 115.3243 66.4635 68.2242 176.3254 63 K 3.8263 8.3513 121.7833 59.4602 32.2413 178.3804 64 K 3.7629 8.1915 120.0106 59.7973 31.8219 178.2469 65 M 3.8179 7.4751 116.6953 58.8437 32.3519 178.3104 66 V 3.7880 7.9387 112.6209 64.2585 31.5445 178.5187 67 E 4.0104 8.2383 117.8256 58.8993 29.4199 178.1317 68 N 4.6027 7.8430 113.5960 52.5418 39.3295 175.1603 69 A 4.4234 7.0172 124.9188 51.3974 19.3895 177.7365 70 K 4.0577 9.1646 124.7536 58.5871 32.6573 177.0453 71 K 4.6600 8.7194 120.2533 54.4741 35.2835 174.6312 72 I 5.0433 8.3697 127.1789 59.6129 40.1299 174.2705 73 E 5.1316 9.1222 125.2764 54.5441 33.6458 174.7969 74 V 4.2115 8.7319 123.2739 61.1310 34.0245 174.2753 75 E 5.0309 8.8449 127.8751 54.2235 32.0016 174.7555 76 F 4.5627 8.6864 125.7395 57.6881 40.0231 175.4553 77 D 4.9308 8.5872 121.5044 53.1445 43.0775 175.7899 78 K 4.3715 9.1840 117.9865 57.5397 33.7139 177.7438 79 G 4.6607 7.7349 110.8765 44.1612 0.0000 173.1416 80 Q 4.0502 8.5317 123.6818 56.4388 29.6902 177.1635 81 R 4.4696 8.5581 122.9502 57.0756 30.8923 176.0430 82 T 5.0711 7.4733 107.0994 59.7315 71.9135 173.2603 83 D 4.8047 8.6325 123.8055 51.6179 41.3562 177.2830 84 K 3.8723 8.2477 117.3562 59.6585 32.4063 177.2525 85 Y 4.2029 7.8361 115.3735 58.1326 38.1172 176.1525 86 G 3.9259 8.3062 108.5279 45.4107 0.0000 173.7325 87 R 4.2966 8.4484 119.6533 55.0062 31.6572 176.5492 88 G 3.6229 8.4423 110.7252 46.3104 0.0000 172.3837 89 L 5.4025 8.9401 123.2104 52.9778 43.7605 175.6995 90 A 4.4496 8.3813 124.7198 50.8997 23.5753 174.0861 91 Y 4.7833 8.5431 117.4144 57.2768 39.6734 175.0883 92 I 4.8642 8.6655 124.4611 59.6350 40.4456 174.0522 93 Y 5.0611 9.0170 123.8131 56.0772 41.0732 174.4716 94 A 4.8992 9.0261 126.3549 50.1563 21.0344 176.5197 95 D 4.3167 9.8975 125.3257 56.0188 39.0787 175.5646 96 G 3.9793 8.4154 105.1262 45.3224 0.0000 173.5467 97 K 4.4905 7.9564 120.4837 54.9029 33.6544 175.4373 98 M 3.9450 8.4592 123.5209 54.8536 33.2884 176.9615 99 V 3.6053 8.8901 127.2199 66.1534 31.6534 177.6146 100 N 4.3139 8.0867 115.7469 56.4831 38.3833 176.8236 101 E 3.9107 8.0458 119.7267 59.1832 29.9934 178.3932 102 A 4.1164 8.0005 120.8329 55.2268 18.4612 179.6182 103 L 3.5061 8.0718 117.4532 57.8356 41.7062 179.9818 104 V 3.9706 7.5207 119.6320 65.4803 31.2611 178.0859 105 R 4.1241 8.2455 117.9964 59.1482 29.9998 177.6154 106 Q 4.2637 7.7481 115.0627 55.1889 29.1273 176.2107 107 G 3.9361 7.8712 108.6552 46.5264 0.0000 175.6137 108 L 4.0585 7.5829 120.5125 55.3518 42.3693 177.1503 109 R 4.8519 7.3735 116.5513 54.2125 34.8401 174.6655 110 K 4.6364 8.6801 121.5080 55.4417 35.4236 175.7779 111 V 4.2889 8.9637 121.7049 63.0520 31.8291 175.6642 112 A 4.7324 8.7611 130.1876 50.6112 20.2505 176.4343 113 Y 4.0907 8.6784 119.9872 57.6513 39.3749 176.3880 114 V 3.6809 7.5823 125.6048 62.8522 32.5239 174.4682 115 Y 4.6108 8.6981 127.9444 56.8435 40.4784 175.5046 116 K 3.6513 9.3297 128.7469 57.4868 29.5621 176.1715 117 G 3.9019 8.0003 103.2751 45.8373 0.0000 173.8862 118 N 4.8385 7.6910 118.7036 51.8331 37.1331 174.3422 119 N 5.1065 7.9122 113.9456 52.4698 38.8671 177.3605 120 T 3.7965 8.7023 117.4067 67.3498 68.6176 174.9209 121 H 4.7873 8.1212 116.0119 55.6153 29.2134 176.2836 122 E 3.9792 8.1974 122.8669 59.8900 29.3397 179.1897 123 Q 4.0045 8.0417 117.2943 58.5463 28.9330 178.0983 124 L 3.9382 7.9243 121.0440 58.3729 42.1003 179.0387 125 L 4.0558 8.3311 119.1572 57.8035 41.4661 179.6254 126 R 3.9196 8.4202 118.5314 59.0015 29.7972 179.0239 127 K 3.8555 8.2231 119.2217 59.4045 32.2384 178.6317 128 A 3.9880 7.8155 120.6088 55.2063 18.2651 179.2373 129 E 3.8829 8.4293 117.5937 59.3205 29.7215 178.6246 130 A 3.7578 8.0546 121.0058 55.3988 18.3617 179.4772 131 Q 3.8242 7.8153 117.6800 59.1543 29.1427 178.1179 132 A 4.0438 7.9949 121.9296 54.9016 18.3629 179.5634 133 K 3.4508 7.7431 118.3482 59.1441 31.9245 179.0063 134 K 3.8831 7.8061 119.1299 59.2559 32.2252 177.8189 135 E 4.2359 8.0247 115.8191 55.5204 29.7957 176.3909 136 K 4.2174 7.8951 117.6509 56.3717 30.5680 175.1587 137 L 4.2599 8.2172 118.5100 55.7476 44.0374 178.4418 138 N 3.4920 9.3979 118.8750 54.2389 38.0779 176.1503 139 I 3.5810 5.4200 121.9810 63.4686 38.6235 177.6875 140 W 4.9698 8.1686 121.1741 56.5311 28.9684 178.1616 141 S 4.5273 8.0032 114.8272 60.1491 62.6068 174.8687 142 E 4.3515 8.1897 118.1264 55.4845 29.8619 175.5818 143 D 4.9140 8.1480 124.2995 54.8496 40.6994 173.6537 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 6 K 8.31 4.33 0.00 1.81 1.97 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.49 7.81 7 L 7.71 4.40 0.00 1.79 1.70 1.03 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 8 H 9.08 5.09 0.00 3.13 3.23 0.00 5.52 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 9 K 8.67 4.58 0.00 1.57 1.67 0.00 1.40 0.00 0.00 1.42 0.00 0.00 2.13 0.00 0.00 2.40 0.00 0.00 0.00 0.00 1.00 1.23 7.81 10 E 9.23 5.02 0.00 2.07 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 2.42 2.33 0.00 11 P 0.00 4.82 0.00 2.10 2.07 0.00 3.87 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 12 A 8.27 4.90 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 13 T 8.69 4.64 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 1.23 0.00 0.00 14 L 8.70 4.21 0.00 1.63 1.58 0.96 1.05 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 15 I 8.84 4.25 1.97 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 1.15 0.75 0.94 0.00 0.00 16 K 7.61 4.63 0.00 1.80 1.60 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.45 7.81 17 A 8.66 4.44 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 18 I 8.21 4.19 2.02 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 1.36 0.65 0.90 0.00 0.00 19 D 6.97 4.65 0.00 2.71 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 20 G 9.03 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 0.00 0.00 0.00 21 D 8.61 5.13 0.00 2.77 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 22 T 8.00 5.20 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 1.17 0.00 0.00 23 V 8.62 4.75 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 0.67 0.00 0.00 0.95 0.00 0.00 24 K 9.06 4.95 0.00 1.91 1.71 0.00 1.49 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.52 7.81 25 L 9.19 5.39 0.00 1.78 1.55 0.41 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 26 M 9.26 4.84 0.00 1.95 2.05 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.68 0.00 27 Y 9.15 5.01 0.00 3.23 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 28 K 9.70 3.49 0.00 1.43 1.61 0.00 1.30 0.00 0.00 1.50 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.03 0.31 7.81 29 G 8.60 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 30 Q 7.88 4.88 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.96 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 31 P 0.00 5.16 0.00 2.12 2.11 0.00 3.79 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 2.02 2.00 0.00 32 M 9.46 4.91 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.77 0.00 33 T 8.41 4.79 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 1.21 0.00 0.00 34 F 9.43 5.04 0.00 2.95 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 35 R 9.06 4.96 0.00 1.85 1.76 0.00 3.31 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 36 L 8.64 4.32 0.00 1.55 1.59 0.98 1.32 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 37 L 8.54 3.89 0.00 0.96 1.32 0.28 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.82 3.88 0.00 2.02 1.87 1.19 0.99 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 39 V 7.28 5.10 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 0.85 0.00 0.00 0.93 0.00 0.00 40 D 8.93 4.74 0.00 2.64 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.21 4.90 4.18 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 1.16 0.00 0.00 42 P 0.00 4.30 0.00 2.05 2.08 0.00 3.59 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.69 0.00 43 E 8.61 3.71 0.00 1.89 1.80 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 1.47 2.00 0.00 *50 F 8.63 4.79 0.00 3.21 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 51 N 7.73 5.05 0.00 2.71 2.63 0.00 0.00 7.22 7.25 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 52 E 8.04 4.27 0.00 1.92 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 2.21 2.31 0.00 53 K 7.42 4.05 0.00 1.51 1.73 0.00 0.85 0.00 0.00 1.36 0.00 0.00 2.68 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.20 0.21 7.81 54 Y 7.35 4.28 0.00 3.19 3.05 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 55 G 7.36 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 56 P 0.00 4.28 0.00 2.17 2.12 0.00 3.57 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.17 0.00 57 E 8.21 4.01 0.00 2.35 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 2.54 2.52 0.00 58 A 8.68 4.05 1.37 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 0.00 0.00 59 S 8.49 4.03 0.00 4.03 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 60 A 8.38 4.04 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 61 F 8.44 3.97 0.00 3.30 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 62 T 8.16 3.87 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 1.23 0.00 0.00 63 K 8.35 3.83 0.00 1.93 1.99 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.56 1.46 7.81 64 K 8.19 3.76 0.00 1.91 1.74 0.00 1.60 0.00 0.00 1.46 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.41 7.81 65 M 7.48 3.82 0.00 2.01 1.77 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 66 V 7.94 3.79 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 0.80 0.00 0.00 0.99 0.00 0.00 67 E 8.24 4.01 0.00 2.00 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 2.33 2.46 0.00 68 N 7.84 4.60 0.00 2.81 2.82 0.00 0.00 7.01 7.36 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 69 A 7.02 4.42 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 70 K 9.16 4.06 0.00 1.73 2.05 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.37 7.81 71 K 8.72 4.66 0.00 1.82 1.73 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.37 7.81 72 I 8.37 5.04 2.02 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 1.33 1.23 0.84 0.00 0.00 73 E 9.12 5.13 0.00 1.91 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 0.00 2.19 2.21 0.00 74 V 8.73 4.21 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 -0.16 0.00 0.00 -0.00 0.00 0.00 75 E 8.84 5.03 0.00 2.23 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 2.47 2.53 0.00 76 F 8.69 4.56 0.00 3.05 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 77 D 8.59 4.93 0.00 2.69 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 K 9.18 4.37 0.00 1.90 1.96 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.41 7.81 79 G 7.73 4.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Q 8.53 4.05 0.00 1.93 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.90 0.00 0.00 0.00 0.00 0.00 2.58 2.47 0.00 81 R 8.56 4.47 0.00 1.69 1.47 0.00 2.74 0.00 0.00 2.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.48 0.00 82 T 7.47 5.07 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 1.17 0.00 0.00 83 D 8.63 4.80 0.00 2.68 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 84 K 8.25 3.87 0.00 1.64 1.87 0.00 1.14 0.00 0.00 1.50 0.00 0.00 2.83 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.02 0.35 7.81 85 Y 7.84 4.20 0.00 3.12 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 G 8.31 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 R 8.45 4.30 0.00 2.00 1.79 0.00 3.09 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 88 G 8.44 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 89 L 8.94 5.40 0.00 1.61 1.64 1.04 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.38 4.45 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.54 4.78 0.00 3.03 2.66 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 0.00 0.00 0.00 0.00 92 I 8.67 4.86 1.76 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.13 0.80 0.00 0.00 93 Y 9.02 5.06 0.00 2.80 2.82 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 94 A 9.03 4.90 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 95 D 9.90 4.32 0.00 2.76 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 96 G 8.42 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 97 K 7.96 4.49 0.00 1.95 1.75 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.38 7.81 98 M 8.46 3.95 0.00 1.87 1.58 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 1.58 2.33 0.00 99 V 8.89 3.61 2.04 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 1.03 0.00 0.00 0.93 0.00 0.00 100 N 8.09 4.31 0.00 2.90 2.93 0.00 0.00 6.76 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 0.00 101 E 8.05 3.91 0.00 1.97 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 2.37 2.36 0.00 102 A 8.00 4.12 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 0.00 0.00 0.00 0.00 0.00 103 L 8.07 3.51 0.00 1.86 1.63 1.02 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.52 3.97 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 1.42 0.00 0.00 1.00 0.00 0.00 105 R 8.25 4.12 0.00 1.87 2.15 0.00 3.35 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 106 Q 7.75 4.26 0.00 1.78 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.34 0.00 0.00 0.00 0.00 0.00 2.41 2.05 0.00 107 G 7.87 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 0.00 108 L 7.58 4.06 0.00 1.50 1.55 0.32 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 109 R 7.37 4.85 0.00 1.63 1.73 0.00 3.29 0.00 0.00 3.34 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 110 K 8.68 4.64 0.00 2.23 1.90 0.00 1.40 0.00 0.00 1.55 0.00 0.00 2.80 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.55 7.81 111 V 8.96 4.29 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 0.80 0.00 0.00 1.00 0.00 0.00 112 A 8.76 4.73 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 0.00 113 Y 8.68 4.09 0.00 2.95 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 0.00 114 V 7.58 3.68 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 0.78 0.00 0.00 0.88 0.00 0.00 115 Y 8.70 4.61 0.00 3.12 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 0.00 116 K 9.33 3.65 0.00 1.42 1.50 0.00 1.27 0.00 0.00 1.57 0.00 0.00 2.74 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.00 0.21 7.81 117 G 8.00 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 0.00 118 N 7.69 4.84 0.00 2.95 2.83 0.00 0.00 6.68 7.45 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 0.00 119 N 7.91 5.11 0.00 3.06 2.96 0.00 0.00 6.11 7.22 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 0.00 120 T 8.70 3.80 4.30 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 1.02 0.00 0.00 121 H 8.12 4.79 0.00 2.84 3.07 0.00 5.64 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.20 3.98 0.00 2.11 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 2.33 2.40 0.00 123 Q 8.04 4.00 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.65 0.00 0.00 0.00 0.00 0.00 2.45 2.35 0.00 124 L 7.92 3.94 0.00 1.74 1.87 0.96 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.33 4.06 0.00 1.75 1.74 1.07 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.42 3.92 0.00 1.95 1.97 0.00 3.30 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.79 0.00 127 K 8.22 3.86 0.00 1.90 2.03 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.43 7.81 128 A 7.82 3.99 1.37 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 0.00 0.00 129 E 8.43 3.88 0.00 2.20 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 2.13 2.64 0.00 130 A 8.05 3.76 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 0.00 131 Q 7.82 3.82 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 132 A 7.99 4.04 1.57 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 0.00 0.00 133 K 7.74 3.45 0.00 0.92 1.44 0.00 1.22 0.00 0.00 1.14 0.00 0.00 2.13 0.00 0.00 2.26 0.00 0.00 0.00 0.00 1.01 0.21 7.81 134 K 7.81 3.88 0.00 1.90 1.89 0.00 1.80 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.43 7.81 135 E 8.02 4.24 0.00 2.08 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 136 K 7.90 4.22 0.00 2.00 1.93 0.00 1.81 0.00 0.00 1.93 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.52 7.81 137 L 8.22 4.26 0.00 1.78 1.65 1.03 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 138 N 9.40 3.49 0.00 2.35 1.42 0.00 0.00 6.90 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 0.00 139 I 5.42 3.58 1.30 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 -0.36 0.65 0.00 0.00 140 W 8.17 4.97 0.00 3.44 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 0.00 141 S 8.00 4.53 0.00 4.04 4.11 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 0.00 142 E 8.19 4.35 0.00 2.03 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 2.29 2.36 0.00 143 D 8.15 4.91 0.00 2.89 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 * Residues marked with a * may have inaccurate shift predictions.