NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 27 P 4.3453 0.0000 0.0000 61.7459 32.6178 176.2664 28 P 4.0874 0.0000 0.0000 61.2180 32.0403 174.7680 29 A 3.7227 7.4182 123.6878 52.1898 19.6476 178.2699 30 T 4.0948 8.6248 112.9607 60.6788 71.0137 174.2387 31 P 4.1795 0.0000 0.0000 65.8992 31.2840 178.7545 32 Q 3.9581 7.9691 117.8051 59.2013 29.0581 178.0338 33 E 4.0736 8.2289 119.6440 59.3015 29.3975 179.4317 34 V 3.9126 8.0486 118.6554 66.2660 31.6391 177.8806 35 Q 4.0457 8.3840 119.4834 58.9642 28.7643 177.8109 36 F 4.1691 8.4685 121.8220 61.4703 39.4695 177.3691 37 V 3.2807 8.0621 117.6982 65.8770 31.2092 177.8938 38 Q 3.9736 8.3512 118.0782 59.4551 28.5193 178.7328 39 H 4.2903 8.5310 117.5326 59.1071 28.7444 177.6481 40 M 3.8666 8.1100 120.3665 58.1130 31.9033 178.0807 41 L 3.8629 7.8811 120.8471 58.2286 42.0546 179.0360 42 Q 4.0272 7.6253 117.0504 58.9512 28.7733 177.8205 43 H 4.2348 8.4992 119.5734 59.7086 29.9530 177.0486 44 H 4.8663 9.0821 119.5106 58.4336 28.5682 177.5234 45 A 4.0432 8.1328 122.5879 55.3501 18.1480 179.4843 46 Q 4.1139 8.0849 117.6014 59.0512 29.0783 178.0693 47 A 3.9117 7.9308 122.1465 55.1603 18.3302 179.5991 48 L 4.0065 7.8562 116.9911 58.0817 41.4535 179.4541 49 D 4.4152 7.9106 117.5423 57.2149 40.8678 178.3047 50 L 4.2535 7.9484 118.7697 57.6296 42.1142 178.9638 51 A 4.0506 8.3675 120.6444 54.6123 18.3043 179.3072 52 A 3.9138 7.9466 119.7851 55.0488 18.4841 178.2140 53 P 4.2347 0.0000 0.0000 66.0275 31.2263 178.5050 54 M 3.8548 7.6692 118.4043 58.2403 31.6605 178.4467 55 L 3.9422 7.4623 117.7623 57.4268 41.7803 178.8217 56 E 4.0774 7.9620 118.9080 58.3906 29.6847 177.4015 57 R 4.4213 7.8164 115.8760 56.7290 32.4338 176.6270 58 S 4.2589 7.9707 112.0518 58.2976 62.7949 173.5434 59 Q 4.4607 8.5189 124.0780 55.7944 29.2450 175.7603 60 Q 4.3656 7.9416 119.5803 54.7325 29.6717 176.5867 61 R 3.8932 8.6299 125.2716 59.5463 30.1231 179.0491 62 T 3.8449 7.8363 114.9282 66.7849 68.4944 176.6367 63 V 3.6382 7.6947 119.4537 65.9813 31.5982 178.0617 64 R 3.8245 8.1886 118.0250 59.3146 29.9347 179.1690 65 S 4.1000 8.3340 115.2181 61.5301 62.8318 176.5875 66 L 3.9744 7.9832 122.7150 58.0886 41.8596 178.7431 67 A 4.1596 8.3450 121.0885 55.2273 18.2631 179.5610 68 L 3.9377 8.0877 117.4481 58.1550 41.7412 179.5525 69 D 4.3880 8.1864 118.7333 57.4839 40.6647 178.9958 70 I 3.9677 8.0699 120.4557 64.2030 37.0326 178.1589 71 Q 3.9727 8.2895 120.5585 59.3075 28.8860 178.5599 72 L 4.0145 8.1194 120.2005 57.7492 41.5309 179.6923 73 S 4.1615 8.2493 114.3163 61.5457 63.0925 176.6032 74 Q 4.0033 8.3809 121.9404 58.7411 28.3759 178.8865 75 R 3.9610 8.2559 119.2589 59.1071 29.9289 178.6530 76 E 3.9118 8.2022 119.1858 59.5473 29.6027 179.0239 77 Q 4.0216 8.0108 117.8470 58.9547 28.7178 178.4395 78 M 3.9929 8.2781 120.1642 58.4668 32.0040 178.9018 79 R 4.2095 8.1321 119.6627 58.7984 30.2084 179.1732 80 Q 3.9463 7.8185 117.9493 59.1933 28.6825 178.7407 81 M 3.9016 8.1243 119.7764 58.2588 31.5466 178.5892 82 E 3.8382 8.5136 118.9525 59.3684 29.6107 179.3220 83 A 3.8882 7.8931 120.6941 55.1350 18.4081 179.2973 84 M 3.2671 7.6706 116.5943 58.5336 32.1417 178.4572 85 L 3.8962 7.5646 119.1322 57.5444 41.8620 179.6717 86 G 3.6029 8.1604 105.9271 48.0608 0.0000 175.9108 87 R 4.0019 7.9482 119.9037 58.5452 30.1771 178.6305 88 W 4.7223 8.1519 116.5320 56.5118 29.5546 176.3044 89 G 3.9821 7.9509 106.7514 46.9465 0.0000 173.6061 90 Q 4.7315 8.1738 117.5530 52.8285 31.2465 174.4973 91 P 4.5905 0.0000 0.0000 61.1314 32.4679 174.1083 92 P 4.4063 0.0000 0.0000 62.2297 31.7001 176.4953 93 G 3.8272 8.3340 108.3252 45.2566 0.0000 173.3994 94 E 4.1074 8.5173 119.5843 55.4266 30.0866 175.6956 95 P 4.5403 0.0000 0.0000 62.8178 31.9942 176.5510 96 I 3.9506 8.1005 122.9379 60.8888 37.8740 177.1720 97 S 4.3436 8.4739 119.5510 57.5678 64.9966 173.4738 98 P 4.2104 0.0000 0.0000 66.0334 31.1297 178.6124 99 E 3.9017 8.0317 117.3223 59.6765 29.6564 178.4482 100 H 4.3712 8.1699 116.0403 58.5409 28.7498 177.5218 101 A 3.9990 8.6001 123.1397 55.2316 18.1551 179.5958 102 R 4.0015 8.1698 117.1335 60.0012 29.9306 178.6719 103 M 4.1134 7.9086 117.3470 58.5015 32.2553 177.9814 104 M 4.3589 8.2087 116.8095 55.7776 32.0928 177.9156 105 G 3.9736 8.3281 108.6765 45.5069 0.0000 173.8450 106 M 4.4080 7.7126 118.8818 54.8080 32.5437 176.2484 107 A 4.3333 8.8208 125.6430 51.8491 19.2935 178.5826 108 S 4.4473 9.1740 117.2748 57.3862 65.4042 175.1932 109 E 3.8718 8.7709 121.8724 59.7045 29.1601 178.7213 110 A 4.0078 7.9530 119.8381 55.2528 18.2871 179.2808 111 E 3.9277 8.0481 115.9710 59.4841 29.9276 179.4429 112 V 3.7307 8.1701 118.3905 66.0308 31.5677 177.9138 113 A 4.1379 8.2013 120.6017 55.1125 18.0595 179.7329 114 G 3.6781 8.1859 104.2785 47.6301 0.0000 175.8092 115 L 4.0430 7.7989 119.8056 57.1049 41.6385 178.7544 116 S 4.5409 8.0753 113.9718 59.1481 63.5378 174.8597 117 T 4.4119 7.5602 110.5044 62.1205 70.4578 174.7921 118 L 4.1858 7.8518 121.2725 53.2557 42.4353 175.4795 119 P 4.2907 0.0000 0.0000 63.0548 32.9952 177.6940 120 V 3.5655 8.4474 120.6805 66.4717 31.3028 178.3390 121 E 4.2826 8.0430 118.9213 59.0177 29.2360 179.2519 122 Q 4.0146 8.0593 117.4969 58.7753 28.8274 178.2552 123 A 4.0218 8.2755 122.1807 55.1046 18.0014 179.5504 124 E 3.9813 8.6022 117.5312 59.7076 29.4982 179.8404 125 R 3.9939 7.8536 117.9941 59.3561 30.1460 179.1143 126 Q 3.9857 8.4591 118.2099 58.8065 28.6028 178.4758 127 F 4.1706 8.6425 122.0738 61.4628 39.3197 177.2884 128 L 3.6144 7.8463 117.8174 57.7203 41.4376 179.6795 129 R 3.8675 8.1004 118.1095 59.2917 29.9388 179.2089 130 L 3.9532 8.3033 119.1142 57.9797 41.5302 179.2890 131 M 3.8091 7.9983 118.4866 58.2568 31.9420 178.3151 132 I 3.5822 7.8545 120.5361 64.3968 37.2886 178.3693 133 R 4.1252 7.8970 120.8177 58.9597 29.8969 177.8200 134 H 4.5549 8.3302 119.6271 59.2788 29.8113 177.0247 135 H 4.2869 8.6360 118.0468 58.8525 27.9878 177.8073 136 Q 4.1105 8.5658 120.4826 58.9380 28.5219 179.1831 137 G 4.1454 8.6387 107.9211 47.1391 0.0000 175.5778 138 A 3.8294 8.0439 123.1919 54.9280 18.4286 179.8635 139 V 3.5386 8.0267 116.6052 66.2185 31.3932 178.1723 140 A 4.0652 7.8688 119.2664 55.3103 18.2362 179.2325 141 M 4.2335 8.1349 116.6728 58.2996 32.2715 178.2823 142 T 4.3026 7.6971 115.1494 65.3544 69.1822 176.8739 143 L 3.9416 7.9283 121.1366 57.6506 41.5332 177.9230 144 P 4.2935 0.0000 0.0000 65.3165 31.0447 177.8160 145 M 3.9357 7.6218 115.7769 56.5142 31.9987 177.9701 146 L 4.3055 7.6837 119.2740 56.0565 42.2352 176.3463 147 D 4.6709 7.2505 118.0788 52.4141 40.7416 175.9632 *150 A 4.1015 8.1946 123.9877 50.8424 20.3857 175.8287 151 R 3.7262 9.0597 119.4746 56.9337 30.6163 175.3957 152 P 4.2793 0.0000 0.0000 66.0774 31.4384 178.5479 153 E 4.0148 8.2556 115.4276 59.2232 29.4907 179.2035 154 V 3.7851 7.8547 119.0588 65.7415 31.6768 177.3664 155 E 3.9065 8.3883 119.2317 59.1654 29.4214 178.7921 156 R 3.8570 8.2625 118.8574 59.3761 30.1449 178.0947 157 L 3.9545 8.0319 119.8609 58.1880 42.0856 178.7287 158 A 4.1309 8.4730 120.9560 55.3532 18.3237 179.7361 159 R 3.8992 8.2535 116.7012 59.5796 30.1387 179.2887 160 Q 4.0250 8.2864 117.7504 58.9760 28.6396 178.9311 161 I 3.7281 8.1312 121.1013 64.4394 37.1889 178.6407 162 V 3.5815 7.8843 118.8716 65.9515 31.3834 178.1338 163 V 3.5872 7.8956 117.9071 66.4425 31.3817 178.1642 164 T 3.9036 8.0587 115.4078 66.6979 68.2035 176.8037 165 Q 3.9571 8.4360 120.3542 59.1093 28.7693 179.1313 166 R 4.0615 8.3035 119.2961 58.9736 30.0468 179.3307 167 G 3.6217 8.2572 105.6375 48.0018 0.0000 175.6734 168 E 4.0431 8.4083 121.4695 58.8976 29.3645 179.3803 169 I 3.6558 8.1534 120.3448 64.4620 37.1986 178.3862 170 R 3.8785 7.9391 119.2754 59.6667 29.8244 178.6125 171 T 3.8461 7.8960 115.4761 67.0794 68.4269 176.5245 172 M 4.0565 8.4224 120.8877 58.4419 31.9100 178.7115 173 E 4.0688 8.6596 119.3209 59.2083 29.7058 179.6882 174 G 3.5569 8.0419 105.8874 47.7386 0.0000 175.9936 175 V 3.6090 8.0969 121.3420 65.5879 31.3548 177.7588 176 L 4.0473 8.1210 119.4227 58.2623 41.9689 178.9783 177 G 3.7200 7.9459 104.6079 47.4896 0.0000 175.2818 178 R 4.2721 7.6139 118.2935 57.6326 30.4597 177.0986 179 L 4.3090 7.9596 123.2968 54.9609 41.7824 176.5482 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 27 P 0.00 4.35 0.00 2.14 2.09 0.00 3.72 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.97 0.00 28 P 0.00 4.09 0.00 2.02 1.92 0.00 3.61 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 1.96 2.09 0.00 29 A 7.42 3.72 -0.34 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 30 T 8.62 4.09 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 1.16 0.00 0.00 31 P 0.00 4.18 0.00 2.15 2.13 0.00 3.54 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 32 Q 7.97 3.96 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 33 E 8.23 4.07 0.00 2.00 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 2.31 2.25 0.00 34 V 8.05 3.91 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.86 0.00 0.00 35 Q 8.38 4.05 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.56 0.00 0.00 0.00 0.00 0.00 2.16 2.06 0.00 36 F 8.47 4.17 0.00 3.26 3.38 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 37 V 8.06 3.28 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 0.80 0.00 0.00 1.24 0.00 0.00 38 Q 8.35 3.97 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.54 2.59 0.00 39 H 8.53 4.29 0.00 3.28 3.28 0.00 5.64 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 M 8.11 3.87 0.00 1.61 1.37 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 41 L 7.88 3.86 0.00 1.79 1.75 0.87 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 7.63 4.03 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.72 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 43 H 8.50 4.23 0.00 3.34 3.42 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 H 9.08 4.87 0.00 3.43 3.36 0.00 5.89 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.13 4.04 1.41 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 0.00 0.00 46 Q 8.08 4.11 0.00 2.09 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 47 A 7.93 3.91 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.86 4.01 0.00 2.01 1.74 0.94 1.14 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 49 D 7.91 4.42 0.00 2.83 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 50 L 7.95 4.25 0.00 1.88 1.94 0.80 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.37 4.05 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.95 3.91 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 53 P 0.00 4.23 0.00 2.34 2.30 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.06 0.00 54 M 7.67 3.85 0.00 1.60 1.73 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.73 0.00 55 L 7.46 3.94 0.00 1.71 1.68 0.88 0.68 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 56 E 7.96 4.08 0.00 1.92 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 2.36 0.00 57 R 7.82 4.42 0.00 1.85 1.89 0.00 3.19 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 58 S 7.97 4.26 0.00 3.73 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 59 Q 8.52 4.46 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.66 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 60 Q 7.94 4.37 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.40 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.53 0.00 61 R 8.63 3.89 0.00 1.84 1.99 0.00 3.13 0.00 0.00 3.33 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 62 T 7.84 3.84 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 63 V 7.69 3.64 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 1.04 0.00 0.00 0.96 0.00 0.00 64 R 8.19 3.82 0.00 1.99 1.92 0.00 3.37 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.80 0.00 65 S 8.33 4.10 0.00 4.05 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 66 L 7.98 3.97 0.00 1.90 1.95 0.96 1.12 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 67 A 8.35 4.16 1.14 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 68 L 8.09 3.94 0.00 1.89 1.73 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 69 D 8.19 4.39 0.00 2.89 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 70 I 8.07 3.97 1.98 0.00 0.00 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 1.62 0.81 0.96 0.00 0.00 71 Q 8.29 3.97 0.00 2.23 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 72 L 8.12 4.01 0.00 1.88 1.71 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 73 S 8.25 4.16 0.00 4.08 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 74 Q 8.38 4.00 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.83 0.00 0.00 0.00 0.00 0.00 2.43 2.55 0.00 75 R 8.26 3.96 0.00 1.92 1.98 0.00 3.14 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 76 E 8.20 3.91 0.00 2.06 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 0.00 2.31 2.36 0.00 77 Q 8.01 4.02 0.00 2.31 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 78 M 8.28 3.99 0.00 2.03 2.26 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 2.89 2.59 0.00 79 R 8.13 4.21 0.00 1.98 1.95 0.00 3.12 0.00 0.00 3.25 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 80 Q 7.82 3.95 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.58 0.00 81 M 8.12 3.90 0.00 1.91 2.12 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 2.70 2.44 0.00 82 E 8.51 3.84 0.00 2.05 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 2.28 2.34 0.00 83 A 7.89 3.89 1.30 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 0.00 0.00 84 M 7.67 3.27 0.00 1.00 1.81 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.49 0.00 85 L 7.56 3.90 0.00 1.74 1.85 0.88 0.81 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 86 G 8.16 3.60 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 0.00 0.00 0.00 0.00 87 R 7.95 4.00 0.00 1.73 2.07 0.00 3.18 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 88 W 8.15 4.72 0.00 3.50 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 89 G 7.95 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 90 Q 8.17 4.73 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.89 0.00 0.00 0.00 0.00 0.00 2.69 2.69 0.00 91 P 0.00 4.59 0.00 2.19 2.08 0.00 3.82 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 2.01 1.97 0.00 92 P 0.00 4.41 0.00 2.18 2.09 0.00 3.52 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 93 G 8.33 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 94 E 8.52 4.11 0.00 1.98 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 2.34 2.42 0.00 95 P 0.00 4.54 0.00 2.05 2.00 0.00 3.69 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 2.13 0.00 96 I 8.10 3.95 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.58 0.91 0.00 0.00 97 S 8.47 4.34 0.00 4.02 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 98 P 0.00 4.21 0.00 2.16 2.15 0.00 3.58 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 99 E 8.03 3.90 0.00 1.97 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 2.34 2.37 0.00 100 H 8.17 4.37 0.00 3.25 3.30 0.00 5.70 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 A 8.60 4.00 1.36 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 0.00 0.00 0.00 102 R 8.17 4.00 0.00 1.89 2.13 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 103 M 7.91 4.11 0.00 2.07 2.31 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.61 0.00 104 M 8.21 4.36 0.00 2.17 2.26 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.56 0.00 105 G 8.33 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 M 7.71 4.41 0.00 2.11 2.04 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 2.51 2.24 0.00 107 A 8.82 4.33 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 S 9.17 4.45 0.00 4.03 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 0.00 109 E 8.77 3.87 0.00 2.05 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 2.39 2.41 0.00 110 A 7.95 4.01 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 0.00 111 E 8.05 3.93 0.00 2.20 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 2.35 2.32 0.00 112 V 8.17 3.73 2.21 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 1.02 0.00 0.00 0.98 0.00 0.00 113 A 8.20 4.14 1.41 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 0.00 0.00 114 G 8.19 3.68 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 0.00 0.00 0.00 115 L 7.80 4.04 0.00 1.79 1.78 1.11 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 116 S 8.08 4.54 0.00 3.96 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 0.00 117 T 7.56 4.41 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 1.27 0.00 0.00 118 L 7.85 4.19 0.00 1.72 1.65 0.93 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 119 P 0.00 4.29 0.00 2.15 1.99 0.00 3.61 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 120 V 8.45 3.57 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 1.22 0.00 0.00 0.92 0.00 0.00 121 E 8.04 4.28 0.00 2.10 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 2.40 2.32 0.00 122 Q 8.06 4.01 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 123 A 8.28 4.02 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.60 3.98 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 125 R 7.85 3.99 0.00 1.95 1.99 0.00 3.14 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 126 Q 8.46 3.99 0.00 2.33 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 127 F 8.64 4.17 0.00 3.11 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 0.00 128 L 7.85 3.61 0.00 1.88 1.64 0.98 1.01 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 0.00 129 R 8.10 3.87 0.00 1.82 1.95 0.00 3.12 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.86 0.00 130 L 8.30 3.95 0.00 1.59 1.66 0.94 0.83 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 0.00 131 M 8.00 3.81 0.00 1.53 1.36 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.24 0.00 132 I 7.85 3.58 1.97 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.51 0.89 0.00 0.00 133 R 7.90 4.13 0.00 1.97 1.91 0.00 3.15 0.00 0.00 3.19 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.50 0.00 134 H 8.33 4.55 0.00 3.25 3.41 0.00 5.68 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 0.00 135 H 8.64 4.29 0.00 3.46 3.35 0.00 5.87 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 Q 8.57 4.11 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 137 G 8.64 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 0.00 0.00 0.00 0.00 138 A 8.04 3.83 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 0.00 139 V 8.03 3.54 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 1.01 0.00 0.00 1.01 0.00 0.00 140 A 7.87 4.07 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 0.00 141 M 8.13 4.23 0.00 2.16 2.34 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 2.81 2.61 0.00 142 T 7.70 4.30 4.32 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 1.34 0.00 0.00 143 L 7.93 3.94 0.00 1.69 1.72 0.92 0.79 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 0.00 144 P 0.00 4.29 0.00 2.09 2.06 0.00 3.60 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 145 M 7.62 3.94 0.00 1.44 1.59 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.11 0.00 146 L 7.68 4.31 0.00 1.69 1.70 0.91 0.74 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 0.00 147 D 7.25 4.67 0.00 2.60 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *150 A 8.19 4.10 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 0.00 151 R 9.06 3.73 0.00 1.84 2.01 0.00 2.99 0.00 0.00 3.37 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.68 0.00 152 P 0.00 4.28 0.00 2.22 2.13 0.00 3.67 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 153 E 8.26 4.01 0.00 2.27 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 0.00 2.55 2.62 0.00 154 V 7.85 3.79 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 1.19 0.00 0.00 1.30 0.00 0.00 155 E 8.39 3.91 0.00 2.07 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 2.30 2.30 0.00 156 R 8.26 3.86 0.00 2.04 2.10 0.00 3.17 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 157 L 8.03 3.95 0.00 1.92 2.00 0.93 1.15 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 0.00 158 A 8.47 4.13 1.36 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 0.00 0.00 0.00 159 R 8.25 3.90 0.00 2.01 2.01 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.96 0.00 160 Q 8.29 4.02 0.00 2.28 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 161 I 8.13 3.73 2.11 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 1.64 0.90 0.99 0.00 0.00 162 V 7.88 3.58 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 1.00 0.00 0.00 0.98 0.00 0.00 163 V 7.90 3.59 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 0.99 0.00 0.00 0.98 0.00 0.00 164 T 8.06 3.90 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 1.22 0.00 0.00 165 Q 8.44 3.96 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 166 R 8.30 4.06 0.00 1.94 1.99 0.00 3.14 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 167 G 8.26 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 0.00 168 E 8.41 4.04 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 169 I 8.15 3.66 2.03 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 1.42 0.94 0.91 0.00 0.00 170 R 7.94 3.88 0.00 2.05 2.05 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 171 T 7.90 3.85 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 172 M 8.42 4.06 0.00 1.94 2.20 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.53 0.00 173 E 8.66 4.07 0.00 2.12 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 2.32 2.48 0.00 174 G 8.04 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 0.00 175 V 8.10 3.61 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 1.10 0.00 0.00 1.00 0.00 0.00 176 L 8.12 4.05 0.00 1.75 1.84 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 177 G 7.95 3.72 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 0.00 0.00 0.00 178 R 7.61 4.27 0.00 1.84 2.00 0.00 3.17 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 179 L 7.96 4.31 0.00 1.77 1.60 0.96 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.