NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3916 8.0176 110.9446 60.8495 70.6115 174.7796 6 P 4.1183 0.0000 0.0000 65.3759 31.4480 177.6351 7 F 4.1651 9.1382 121.9533 60.9609 39.6870 177.6240 8 D 4.2463 8.6382 118.4742 57.3256 40.5015 178.8679 9 A 3.9465 7.5348 120.2813 55.0698 18.2336 179.3790 10 L 3.7931 7.3801 117.2610 57.9789 42.2061 178.5531 11 W 4.0521 8.1904 127.6398 60.6563 30.7984 177.6777 12 Q 4.1136 8.3128 117.9407 58.7276 28.2323 178.7728 13 R 3.9179 7.8802 115.5115 57.5751 29.9094 178.1590 *15 L 3.9750 7.8267 120.5269 54.6176 43.5378 178.8787 16 A 3.9316 7.7922 120.3306 55.2864 18.2287 178.7174 17 R 3.6549 6.7388 111.4845 57.1418 29.8828 177.7619 18 G 3.9335 8.1808 107.0448 44.6347 0.0000 173.9624 19 W 4.7042 7.4223 119.1597 56.9510 30.1552 175.4167 20 T 4.5322 8.3591 113.3569 59.4921 70.2731 172.5128 21 P 5.0761 0.0000 0.0000 62.7661 32.1765 176.0610 22 V 4.6132 8.5307 122.2120 60.1482 34.6745 174.5879 23 S 4.8466 8.4658 116.4073 56.0550 65.9548 174.4434 24 E 3.9824 8.8564 121.8736 59.7063 29.0418 179.2536 25 S 4.3011 8.1496 112.1411 60.4064 63.3084 175.2748 26 R 4.5793 7.8667 119.7369 55.2383 31.0074 176.9578 27 L 4.0151 7.6417 121.5207 58.6032 42.0511 178.4630 28 D 4.4204 8.2358 117.9331 57.6837 40.5540 178.5503 29 D 4.3772 8.0635 117.6037 57.0306 41.3284 178.1674 30 W 4.2243 8.4724 128.9294 60.4230 30.7078 177.8363 31 L 3.5941 8.7147 119.5488 58.0777 40.8798 179.7780 32 T 3.8861 7.8986 108.3294 63.7929 68.5704 175.4148 33 Q 4.4802 7.1795 117.9940 54.9881 30.3666 176.6763 34 A 4.4785 7.3331 122.8076 50.2166 20.2527 174.4099 35 P 4.3259 0.0000 0.0000 64.7156 32.9058 176.6381 36 D 5.2519 8.0370 121.2167 52.5696 42.6029 175.6156 37 G 4.7384 9.1545 110.5759 45.3206 0.0000 169.8610 38 V 5.1589 9.2932 118.5862 61.2466 35.4367 173.8417 39 V 4.5026 8.6601 127.1980 61.0328 34.0865 174.1199 40 L 4.5961 8.7505 129.2590 53.8068 43.1335 175.6164 41 L 4.6898 8.4585 124.9466 52.3972 43.3398 176.2137 42 S 5.0148 8.5156 118.8724 56.8710 66.5228 172.6376 43 S 4.9542 8.3951 116.1430 56.2500 67.1295 173.5019 44 D 4.3777 8.4967 120.1242 53.7941 41.1393 175.1181 45 P 4.5992 0.0000 0.0000 65.4908 31.8322 178.9530 46 K 4.0305 8.0726 117.5727 59.5679 32.2081 178.2641 47 R 3.9448 8.1972 117.1266 59.0060 30.1648 176.2519 48 T 4.4494 7.8741 114.2633 59.3514 68.1618 171.8820 49 P 4.6719 0.0000 0.0000 63.2532 31.2575 177.3661 50 E 4.2374 8.3485 120.6866 58.7366 29.7935 178.7594 51 V 3.8042 7.1061 116.5385 65.2310 31.6677 177.0587 52 S 4.4241 8.0000 114.5299 61.2316 63.4378 175.6080 53 D 4.5465 8.3004 120.5384 56.6464 40.4267 177.8494 54 N 4.2849 8.2348 116.5279 56.6162 39.0761 174.1271 55 P 4.5809 0.0000 0.0000 65.7670 31.1969 178.7061 56 V 3.3646 7.2804 113.1075 64.4425 32.0848 177.5081 *58 I 3.9762 7.9036 120.7681 61.0269 38.9400 177.9939 59 G 3.9012 8.2939 106.0031 48.0296 0.0000 175.3484 60 E 4.3482 8.1159 121.0674 59.2306 29.7578 178.8992 61 L 4.0606 8.3041 119.8326 58.5111 41.8167 178.9799 62 L 3.6323 7.8599 118.8402 57.8085 41.4230 178.6557 63 H 4.7542 7.8026 110.8928 56.8983 28.5279 176.1804 64 E 4.3943 7.9731 120.4461 56.9866 31.2513 176.4443 65 F 5.0661 8.6659 117.6429 55.1824 39.6360 173.8036 66 P 4.5402 0.0000 0.0000 65.4434 31.8475 178.1185 67 D 4.3461 8.3495 116.8012 56.2298 40.8497 175.7234 68 Y 4.3786 7.5871 115.7424 56.2668 41.0573 175.9872 69 T 4.3275 7.7367 117.3182 60.1505 66.2400 174.9779 70 W 4.9425 7.6765 121.5737 57.9863 30.3981 177.2734 71 Q 4.7200 9.1811 124.2273 54.4445 32.5086 173.5790 72 V 4.6754 8.6266 125.1504 61.0917 34.0092 173.9990 73 A 4.8872 8.8993 128.9376 49.7685 22.3617 174.8280 74 I 4.8106 8.2664 113.0406 58.9284 40.9633 174.1204 75 A 5.3736 8.4436 126.2805 50.1004 21.6533 176.9246 76 D 4.7891 8.5557 121.0392 52.5642 41.8268 177.1408 77 L 3.7600 7.7348 118.0586 58.1368 41.5510 179.5676 78 E 3.9394 7.9337 117.7728 59.6533 29.5508 179.3543 79 Q 4.0755 9.1810 118.4392 58.9088 28.6443 178.9431 80 S 4.2095 8.5044 116.8796 61.6086 62.7318 176.5601 81 E 4.2000 8.1278 120.5009 59.1830 29.2198 179.0831 82 A 3.9936 7.9136 120.6304 55.3024 18.3218 179.5936 83 I 3.8922 8.1310 117.5663 64.4559 37.5542 178.6316 84 G 3.9194 8.5058 106.6302 48.1541 0.0000 175.2361 85 D 4.1724 8.2503 122.1174 57.1168 40.6205 179.1604 86 R 3.9593 7.9280 117.7770 58.2087 30.1225 177.4438 87 F 4.5924 8.0014 114.9493 56.3179 39.6456 176.2483 88 G 3.7718 7.5608 105.0749 45.7229 0.0000 174.0749 89 A 4.3275 7.6072 122.5323 51.4836 17.5731 177.7128 90 F 4.6146 8.5518 121.5120 57.8037 39.6971 176.8853 91 R 4.4748 7.8752 121.3324 54.8055 30.5742 173.6090 92 F 5.2623 8.3249 122.0903 55.1377 40.7443 174.0053 93 P 4.6437 0.0000 0.0000 62.8565 32.5331 175.2384 94 A 5.1944 8.4064 123.2890 50.6804 23.4774 175.4068 95 T 4.7502 8.4615 115.0889 61.8840 72.6501 173.5038 96 L 4.6794 8.8180 127.8459 54.2245 43.3563 176.1574 97 V 4.8070 8.6408 123.6585 61.1133 34.2470 174.2588 98 F 5.3892 9.5664 125.7197 56.0701 42.8214 174.0670 99 T 4.8243 9.1106 119.8326 62.0983 72.2126 174.5278 100 G 3.9857 9.3466 114.9233 46.7805 0.0000 174.0828 101 G 3.9748 8.6600 103.6444 45.6281 0.0000 173.3792 102 N 5.0724 8.3196 117.8396 50.9688 40.8414 173.4135 103 Y 4.1077 8.7642 124.2105 57.6132 39.0932 175.2647 104 R 3.9600 9.0605 127.2081 55.5124 31.3660 177.1280 105 G 3.4045 5.3800 103.5307 44.7006 0.0000 170.5142 106 V 4.8314 7.4768 118.4181 59.8859 34.4723 175.1539 107 L 4.5070 8.9246 125.5738 53.7207 42.4898 175.4265 108 N 5.3390 8.7619 121.0449 52.0311 40.6768 175.2543 109 G 3.8014 8.4471 107.6269 44.6677 0.0000 172.1152 110 I 4.5040 7.7687 117.3221 59.3885 40.2689 174.3886 111 H 5.0205 8.5216 123.1319 52.9478 32.9361 171.3521 112 P 4.4744 0.0000 0.0000 62.4322 32.1348 177.3673 113 W 3.9084 9.1695 129.8215 60.9492 30.5672 178.2676 114 A 4.2672 8.3080 119.9399 55.0193 17.6921 178.4964 115 E 4.2144 7.9408 117.2971 57.0306 30.0025 178.0158 116 L 3.9693 7.4426 120.3482 58.0575 42.2389 177.9140 117 I 3.5176 6.9830 116.7681 64.2027 37.7656 177.0021 118 N 4.5905 7.7266 116.8981 55.6412 37.2139 177.7097 119 L 3.9021 7.3706 118.9242 54.9155 41.1710 178.8209 *121 R 4.3537 8.1715 121.6192 56.4853 31.5605 176.9486 122 G 3.8539 7.8253 103.6567 46.5064 0.0000 173.6463 123 L 4.3552 7.2188 116.7751 56.0325 43.1798 177.8822 124 V 4.0259 7.3298 107.9071 60.5553 32.0254 175.5942 125 E 4.6643 7.9402 126.7999 57.1041 30.8531 175.8159 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 5 T 8.02 4.39 4.29 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 1.28 0.00 0.00 6 P 0.00 4.12 0.00 2.45 2.39 0.00 3.77 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 2.18 2.14 0.00 7 F 9.14 4.17 0.00 3.10 3.14 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 8 D 8.64 4.25 0.00 2.79 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 9 A 7.53 3.95 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 10 L 7.38 3.79 0.00 1.62 1.64 0.91 1.15 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 11 W 8.19 4.05 0.00 2.81 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 12 Q 8.31 4.11 0.00 2.25 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.63 2.56 0.00 13 R 7.88 3.92 0.00 1.84 1.79 0.00 3.11 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 *15 L 7.83 3.97 0.00 1.65 1.57 0.94 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.79 3.93 1.19 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 17 R 6.74 3.65 0.00 0.67 0.95 0.00 2.21 0.00 0.00 2.97 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.73 0.00 18 G 8.18 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 19 W 7.42 4.70 0.00 3.11 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 T 8.36 4.53 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 21 P 0.00 5.08 0.00 2.10 2.46 0.00 3.64 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 2.12 1.96 0.00 22 V 8.53 4.61 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 0.45 0.00 0.00 0.78 0.00 0.00 23 S 8.47 4.85 0.00 4.00 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 24 E 8.86 3.98 0.00 2.05 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 2.44 2.36 0.00 25 S 8.15 4.30 0.00 4.08 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 26 R 7.87 4.58 0.00 1.89 2.01 0.00 3.18 0.00 0.00 3.14 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 27 L 7.64 4.02 0.00 1.91 1.87 0.90 1.82 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 28 D 8.24 4.42 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 29 D 8.06 4.38 0.00 2.88 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 30 W 8.47 4.22 0.00 3.39 3.39 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 31 L 8.71 3.59 0.00 2.01 1.64 0.44 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 32 T 7.90 3.89 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 1.25 0.00 0.00 33 Q 7.18 4.48 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.20 0.00 0.00 0.00 0.00 0.00 2.20 2.37 0.00 34 A 7.33 4.48 0.18 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 0.00 0.00 0.00 35 P 0.00 4.33 0.00 2.07 2.28 0.00 3.49 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 36 D 8.04 5.25 0.00 2.51 1.96 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 37 G 9.15 4.74 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 0.00 0.00 0.00 38 V 9.29 5.16 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 0.70 0.00 0.00 0.54 0.00 0.00 39 V 8.66 4.50 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 0.80 0.00 0.00 0.79 0.00 0.00 40 L 8.75 4.60 0.00 1.49 1.49 0.59 -0.07 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 41 L 8.46 4.69 0.00 0.82 0.50 0.82 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.52 5.01 0.00 4.00 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 43 S 8.40 4.95 0.00 3.85 3.85 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.50 4.38 0.00 2.64 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 45 P 0.00 4.60 0.00 2.33 2.20 0.00 3.81 0.00 0.00 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 46 K 8.07 4.03 0.00 1.72 1.89 0.00 1.75 0.00 0.00 1.93 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.42 7.81 47 R 8.20 3.94 0.00 1.76 2.13 0.00 3.23 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 48 T 7.87 4.45 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 1.27 0.00 0.00 49 P 0.00 4.67 0.00 2.24 2.17 0.00 3.44 0.00 0.00 2.15 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 50 E 8.35 4.24 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 2.33 2.41 0.00 51 V 7.11 3.80 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 0.94 0.00 0.00 1.09 0.00 0.00 52 S 8.00 4.42 0.00 3.94 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 53 D 8.30 4.55 0.00 2.90 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 54 N 8.23 4.28 0.00 2.71 2.91 0.00 0.00 6.95 7.69 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 55 P 0.00 4.58 0.00 2.28 2.35 0.00 3.75 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 2.19 2.28 0.00 56 V 7.28 3.36 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.00 0.00 0.00 *58 I 7.90 3.98 1.91 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 1.18 0.58 0.57 0.00 0.00 59 G 8.29 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 60 E 8.12 4.35 0.00 2.35 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 2.71 2.60 0.00 61 L 8.30 4.06 0.00 1.59 1.74 0.67 0.33 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 62 L 7.86 3.63 0.00 1.91 1.58 0.68 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 63 H 7.80 4.75 0.00 3.39 3.56 0.00 5.55 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 7.97 4.39 0.00 2.52 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 2.50 3.02 0.00 65 F 8.67 5.07 0.00 3.77 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 66 P 0.00 4.54 0.00 2.11 2.22 0.00 3.80 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.42 0.00 67 D 8.35 4.35 0.00 2.04 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 68 Y 7.59 4.38 0.00 1.45 1.76 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 69 T 7.74 4.33 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 1.14 0.00 0.00 70 W 7.68 4.94 0.00 3.31 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 71 Q 9.18 4.72 0.00 2.17 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.78 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 72 V 8.63 4.68 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 -0.44 0.00 0.00 0.45 0.00 0.00 73 A 8.90 4.89 -0.26 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 74 I 8.27 4.81 1.76 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.42 0.94 0.00 0.00 75 A 8.44 5.37 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 76 D 8.56 4.79 0.00 2.56 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 0.00 0.00 0.00 77 L 7.73 3.76 0.00 1.41 1.54 0.56 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 78 E 7.93 3.94 0.00 2.10 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 79 Q 9.18 4.08 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.80 0.00 0.00 0.00 0.00 0.00 2.48 2.55 0.00 80 S 8.50 4.21 0.00 4.07 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 81 E 8.13 4.20 0.00 2.21 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 2.35 2.62 0.00 82 A 7.91 3.99 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 83 I 8.13 3.89 1.98 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.74 0.99 0.00 0.00 84 G 8.51 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 85 D 8.25 4.17 0.00 2.92 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 86 R 7.93 3.96 0.00 1.76 2.12 0.00 3.21 0.00 0.00 3.17 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 1.36 0.00 87 F 8.00 4.59 0.00 2.93 2.85 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.56 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 0.00 0.00 0.00 89 A 7.61 4.33 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 90 F 8.55 4.61 0.00 3.02 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 R 7.88 4.47 0.00 1.76 1.89 0.00 3.33 0.00 0.00 3.27 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.78 0.00 92 F 8.32 5.26 0.00 2.91 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 93 P 0.00 4.64 0.00 2.08 1.96 0.00 3.59 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.16 0.00 94 A 8.41 5.19 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 95 T 8.46 4.75 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 1.01 0.00 0.00 96 L 8.82 4.68 0.00 1.72 1.51 0.10 0.59 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 97 V 8.64 4.81 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 0.97 0.00 0.00 0.71 0.00 0.00 98 F 9.57 5.39 0.00 3.11 3.01 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 99 T 9.11 4.82 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 1.42 0.00 0.00 100 G 9.35 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 0.00 0.00 0.00 101 G 8.66 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 0.00 102 N 8.32 5.07 0.00 2.94 2.75 0.00 0.00 6.65 7.38 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 0.00 103 Y 8.76 4.11 0.00 2.79 2.93 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 0.00 104 R 9.06 3.96 0.00 1.52 1.90 0.00 3.54 0.00 0.00 3.12 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 105 G 5.38 3.40 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 0.00 106 V 7.48 4.83 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.94 0.00 0.00 107 L 8.92 4.51 0.00 1.48 1.54 0.68 0.09 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 0.00 108 N 8.76 5.34 0.00 2.85 2.81 0.00 0.00 6.43 7.00 0.00 0.00 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 G 8.45 3.80 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 0.00 0.00 0.00 110 I 7.77 4.50 1.87 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 1.41 1.01 0.88 0.00 0.00 111 H 8.52 5.02 0.00 3.03 3.14 0.00 5.97 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 4.47 0.00 2.24 2.05 0.00 3.67 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 2.16 2.12 0.00 113 W 9.17 3.91 0.00 3.48 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 A 8.31 4.27 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 0.00 115 E 7.94 4.21 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 2.33 2.34 0.00 116 L 7.44 3.97 0.00 1.63 1.03 0.63 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 117 I 6.98 3.52 1.17 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.95 0.94 0.00 0.00 118 N 7.73 4.59 0.00 3.08 3.06 0.00 0.00 7.03 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 L 7.37 3.90 0.00 1.77 1.56 0.62 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 *121 R 8.17 4.35 0.00 2.20 2.16 0.00 3.25 0.00 0.00 3.49 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 122 G 7.83 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 L 7.22 4.36 0.00 1.51 1.51 0.72 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 124 V 7.33 4.03 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.86 0.00 0.00 125 E 7.94 4.66 0.00 2.04 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 2.15 2.16 0.00 * Residues marked with a * may have inaccurate shift predictions.