NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 K 4.3341 8.3144 122.1467 54.9030 32.6663 176.1688 4 C 5.6631 8.0255 126.6079 53.1586 43.9450 172.1348 5 S 4.3344 8.0794 116.0532 58.4160 64.0170 173.0443 6 L 4.2538 8.2232 126.9244 56.5305 42.5695 177.2617 7 T 4.3590 6.7232 113.8986 63.6881 69.1988 173.3810 8 G 3.7487 7.8044 109.7294 43.8802 0.0000 172.0319 9 K 5.1123 8.3079 118.2239 54.4128 35.1072 175.6371 10 W 5.3817 9.8117 124.3868 55.1511 33.5585 174.0755 11 T 5.0615 9.4349 117.9863 60.3950 69.8204 172.6315 12 N 5.6509 9.1396 124.9690 50.7236 40.0969 175.0360 13 D 4.0349 8.2947 120.1234 56.8065 39.2187 178.3441 14 L 4.1620 8.4159 118.3610 55.1019 41.8770 177.1892 15 G 4.0444 8.9578 107.6589 45.7338 0.0000 174.3351 16 S 4.5329 8.3747 115.7552 58.7438 64.7987 172.7298 17 N 5.4493 8.7689 117.2665 51.8127 42.4504 173.6268 18 M 4.9419 9.8577 123.0494 53.9572 35.8095 173.9139 19 T 5.0715 9.0032 122.8814 61.8739 71.4426 173.2435 20 I 4.6130 9.3159 127.5737 59.6155 40.4504 175.9290 21 G 3.9750 8.4248 113.0255 45.2821 0.0000 172.0972 22 A 4.6739 8.7874 124.2969 51.1723 19.0175 178.0205 23 V 4.3082 8.2788 123.5679 61.2533 33.2706 176.4598 24 N 4.9314 8.2632 123.6717 52.9284 37.8883 176.0272 25 S 4.3471 8.6864 108.1878 61.1837 63.8562 176.0757 26 R 4.2384 7.9881 116.5831 56.1745 30.0159 177.2832 27 G 4.3093 8.2850 106.9238 46.1308 0.0000 173.5325 28 E 4.8536 8.3500 118.2786 55.9472 31.4404 175.2256 29 F 5.1425 7.6927 113.5289 57.3408 40.8023 172.2936 30 T 4.8098 7.5938 107.3300 60.9210 72.1149 173.0943 31 G 4.8973 7.7912 108.2253 46.9141 0.0000 171.8059 32 T 5.1295 7.7505 108.9263 60.3474 72.1351 173.4923 33 Y 4.7668 8.9868 124.3639 56.7409 40.8614 173.9453 34 T 4.4552 8.4396 123.9069 62.7082 69.4419 174.5782 35 T 4.5546 9.0330 121.5876 61.8529 68.3000 173.9665 36 A 4.6967 9.7780 129.1671 51.8879 19.6282 177.0380 37 V 4.5824 7.8311 109.1308 60.7911 35.9052 174.4697 38 T 4.5388 8.0938 117.6580 62.3135 72.2677 173.6742 39 A 4.5549 8.5110 126.4942 52.0541 19.4715 176.2707 40 T 4.8357 7.4889 112.6136 61.5263 70.1206 174.2928 41 S 4.6956 8.6655 118.7060 58.5900 63.4293 173.6789 42 N 4.8109 7.8511 117.8640 51.1713 40.2983 174.3003 43 E 3.8719 8.3665 120.6685 56.2482 29.9535 177.9993 44 I 2.7572 7.8495 130.3501 61.4334 34.7661 174.8416 45 K 4.4519 7.1311 124.1098 52.4259 33.3412 176.4550 46 E 4.4060 8.6056 124.3035 56.8820 30.4574 175.8414 47 S 4.8953 8.5234 116.5124 56.9382 67.9234 171.7144 48 P 5.2499 0.0000 0.0000 61.7218 33.3289 174.4148 49 L 5.0171 8.9120 122.5122 54.3647 43.5012 174.7584 50 H 4.8164 9.1911 119.4207 54.1807 31.9682 173.5023 51 G 4.2365 7.2939 106.8424 45.9000 0.0000 171.7305 52 T 5.2889 8.7585 115.6796 61.5078 73.3388 173.2721 53 E 5.1903 8.8276 120.8205 54.3129 32.8731 174.8783 54 N 4.8160 8.5699 121.8476 54.5595 40.1141 174.4981 55 T 4.2639 8.0576 111.7453 60.4761 70.5601 173.9101 *58 K 3.9926 8.4183 125.9211 56.2411 32.0977 175.2660 59 R 4.5984 8.0378 123.2614 54.5190 31.9856 176.4916 60 T 4.0500 8.4716 112.0222 63.8718 69.1518 174.3716 61 Q 4.7515 8.1370 121.2228 52.6019 29.3520 173.0283 62 P 4.9042 0.0000 0.0000 61.5131 34.1871 174.9862 63 T 4.6690 8.3793 112.6118 61.2499 70.7861 173.5536 64 F 5.6138 7.7875 119.4959 56.1318 42.1365 173.3815 65 G 4.1517 9.0092 101.1668 45.8555 0.0000 172.9995 66 F 5.6140 8.7008 119.8887 55.6003 42.3677 173.4110 67 T 5.0064 9.6757 117.7511 61.9519 70.6830 173.6661 68 V 4.1988 8.4303 126.7529 61.1033 33.0169 174.3556 69 N 4.5611 8.2987 128.5110 51.8381 38.1016 174.4433 70 W 4.4411 7.5557 123.9711 56.7500 29.7916 176.7097 71 K 4.3069 9.5557 123.9503 58.0011 32.1509 176.7907 72 F 4.9228 7.8871 112.8224 56.0365 38.4992 175.4429 73 S 4.7062 7.1905 114.7362 59.3197 64.4793 177.3582 74 E 4.3502 8.5048 122.4818 55.0510 26.1388 175.6505 75 S 4.9200 7.3729 116.5128 57.9720 68.4431 173.9700 76 T 4.9296 8.5548 115.6015 62.4748 73.1994 173.3660 77 T 5.1785 8.2801 119.3154 61.9446 73.0108 173.4727 78 V 4.9071 8.4127 116.9568 59.8542 35.2157 174.7501 79 F 5.3306 8.9514 124.4667 56.3342 41.8567 175.0879 80 T 4.5917 8.9315 116.3451 61.2422 70.8731 172.6192 81 G 4.0249 7.1779 115.7992 45.9592 0.0000 171.2137 82 Q 4.6876 8.3056 120.9973 54.4185 32.9350 174.7073 83 C 4.8122 8.7265 126.1345 56.1473 42.3751 172.1172 84 F 5.1610 9.0478 125.5869 56.1119 41.7484 175.5587 85 I 4.2392 8.5047 123.4803 59.5862 36.4310 173.1588 86 D 4.1252 9.4026 125.4984 55.7958 41.0558 178.9431 87 R 3.1233 8.5440 120.8852 58.7731 32.2944 177.0294 88 N 4.4339 8.1626 117.2816 57.2399 38.5928 174.9462 89 G 3.2421 7.0114 107.2369 44.8586 0.0000 172.6666 90 K 4.5972 7.9104 120.8150 54.7018 34.8677 175.6946 91 E 4.8534 8.7423 123.5275 56.8009 31.2244 176.1097 92 V 5.0874 9.3260 122.5381 61.9777 35.6921 173.0541 93 L 5.1658 9.4706 128.7858 53.4955 43.3451 175.5199 94 K 5.0654 8.6270 123.9998 55.3723 34.3494 176.0814 95 T 5.0349 8.5126 112.7565 61.1834 72.9983 172.0388 96 M 5.0568 9.1181 120.5016 53.4427 36.7734 174.6930 97 W 6.0582 7.7641 116.4695 54.4802 32.7027 173.7691 98 L 5.0276 8.4801 119.8369 53.0058 44.6369 175.7641 99 L 4.4518 9.8480 128.4958 54.1682 42.4611 175.8399 100 R 4.4188 8.9837 129.3697 55.2478 30.2233 175.7426 101 S 4.5406 8.9023 122.0328 57.7660 63.5774 173.1190 102 S 4.7881 8.4544 117.3268 56.5136 64.9473 173.9567 103 V 4.6092 7.9907 116.0528 59.8539 34.3389 174.1831 104 N 4.8574 8.6868 114.9671 53.7387 40.9620 174.3573 105 D 4.9684 7.6215 116.4282 52.0756 43.6243 176.2135 106 I 4.1052 8.5023 122.2323 61.8683 37.8510 176.1124 107 G 4.2755 8.4961 108.3967 46.6499 0.0000 176.7155 108 D 4.7691 7.8339 118.8430 54.1891 41.0284 177.7087 109 D 4.4068 8.5927 121.8128 56.8946 41.4017 177.9449 110 W 4.2830 8.6856 118.5098 60.3321 27.8185 178.4503 111 K 3.5735 6.0535 115.1334 54.5883 30.6804 178.6919 112 A 4.3824 8.1702 123.5519 53.8442 19.7348 177.2142 113 T 5.0235 7.3630 111.8361 61.9367 70.3761 174.5468 114 R 4.9471 8.7469 124.5266 54.2865 33.7347 175.1482 115 V 4.2830 7.8607 120.8666 59.9726 34.5963 174.6039 116 G 3.4873 6.2086 107.6037 45.6813 0.0000 172.5407 117 I 4.6631 7.7690 114.3480 60.3178 40.6585 174.2867 118 N 4.4884 8.0261 114.1990 53.1893 43.7876 174.0829 119 I 4.8199 8.9664 126.2968 59.7779 39.2940 174.8922 120 F 5.4158 9.4975 126.7180 56.6311 41.3381 175.2672 121 T 5.2534 9.2471 117.7536 61.9269 73.3394 174.0591 122 R 4.1572 8.4391 122.6333 55.1266 28.4401 176.7795 123 L 4.0752 7.8897 124.7617 55.1012 42.0164 176.7557 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 *3 K 8.31 4.33 0.00 1.79 1.72 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 4 C 8.03 5.66 0.00 3.14 3.02 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 5 S 8.08 4.33 0.00 3.87 3.76 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 6 L 8.22 4.25 0.00 1.42 1.21 -0.18 0.52 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 7 T 6.72 4.36 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 1.23 0.00 0.00 8 G 7.80 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.31 5.11 0.00 1.58 1.64 0.00 1.55 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.35 7.81 10 W 9.81 5.38 0.00 2.91 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 11 T 9.43 5.06 4.42 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 0.00 0.00 0.00 1.35 0.00 0.00 12 N 9.14 5.65 0.00 2.50 3.05 0.00 0.00 6.66 8.92 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 13 D 8.29 4.03 0.00 2.80 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 14 L 8.42 4.16 0.00 1.92 1.84 1.01 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.96 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.37 4.53 0.00 3.86 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.77 5.45 0.00 2.54 2.61 0.00 0.00 6.83 7.07 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 18 M 9.86 4.94 0.00 1.50 1.51 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.12 0.00 19 T 9.00 5.07 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 1.17 0.00 0.00 20 I 9.32 4.61 1.82 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.42 0.52 0.00 0.00 21 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 22 A 8.79 4.67 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 23 V 8.28 4.31 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 0.79 0.00 0.00 1.26 0.00 0.00 24 N 8.26 4.93 0.00 2.90 2.79 0.00 0.00 6.97 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 25 S 8.69 4.35 0.00 4.03 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 26 R 7.99 4.24 0.00 1.83 2.00 0.00 3.20 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 27 G 8.28 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 0.00 0.00 0.00 0.00 28 E 8.35 4.85 0.00 1.95 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 2.69 2.08 0.00 29 F 7.69 5.14 0.00 3.02 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 30 T 7.59 4.81 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 1.27 0.00 0.00 31 G 7.79 4.90 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 32 T 7.75 5.13 4.35 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 1.28 0.00 0.00 33 Y 8.99 4.77 0.00 2.69 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.44 4.46 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 1.24 0.00 0.00 35 T 9.03 4.55 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 1.30 0.00 0.00 36 A 9.78 4.70 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 37 V 7.83 4.58 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 0.70 0.00 0.00 0.91 0.00 0.00 38 T 8.09 4.54 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 1.40 0.00 0.00 39 A 8.51 4.55 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 7.49 4.84 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 1.44 0.00 0.00 41 S 8.67 4.70 0.00 3.87 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 42 N 7.85 4.81 0.00 3.08 2.93 0.00 0.00 7.04 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 43 E 8.37 3.87 0.00 1.85 1.82 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 2.25 2.29 0.00 44 I 7.85 2.76 1.66 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.12 0.79 0.00 0.00 45 K 7.13 4.45 0.00 1.77 1.58 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.30 0.98 7.81 46 E 8.61 4.41 0.00 2.03 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 2.37 2.45 0.00 47 S 8.52 4.90 0.00 3.94 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 48 P 0.00 5.25 0.00 1.98 2.12 0.00 3.83 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 1.96 1.94 0.00 49 L 8.91 5.02 0.00 1.51 1.43 0.81 0.86 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 50 H 9.19 4.82 0.00 2.96 3.09 0.00 5.65 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 51 G 7.29 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 0.00 0.00 0.00 0.00 52 T 8.76 5.29 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 1.23 0.00 0.00 53 E 8.83 5.19 0.00 2.22 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 2.48 2.32 0.00 54 N 8.57 4.82 0.00 2.99 2.83 0.00 0.00 6.98 7.20 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 55 T 8.06 4.26 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 1.25 0.00 0.00 *58 K 8.42 3.99 0.00 1.81 1.90 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.75 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.39 7.81 59 R 8.04 4.60 0.00 1.79 1.84 0.00 3.46 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 60 T 8.47 4.05 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 1.24 0.00 0.00 61 Q 8.14 4.75 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.87 0.00 0.00 0.00 0.00 0.00 2.57 2.26 0.00 62 P 0.00 4.90 0.00 2.17 2.20 0.00 3.71 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 63 T 8.38 4.67 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 64 F 7.79 5.61 0.00 3.52 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 9.01 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 66 F 8.70 5.61 0.00 3.18 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 T 9.68 5.01 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 1.23 0.00 0.00 68 V 8.43 4.20 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 -0.39 0.00 0.00 0.47 0.00 0.00 69 N 8.30 4.56 0.00 2.74 2.69 0.00 0.00 7.24 7.79 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 70 W 7.56 4.44 0.00 3.06 2.57 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 71 K 9.56 4.31 0.00 2.02 2.00 0.00 1.74 0.00 0.00 1.81 0.00 0.00 3.15 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.48 7.81 72 F 7.89 4.92 0.00 3.20 3.16 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 73 S 7.19 4.71 0.00 3.85 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.50 4.35 0.00 1.97 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 2.31 2.33 0.00 75 S 7.37 4.92 0.00 3.79 3.87 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 76 T 8.55 4.93 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 77 T 8.28 5.18 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 1.00 0.00 0.00 78 V 8.41 4.91 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 0.75 0.00 0.00 1.01 0.00 0.00 79 F 8.95 5.33 0.00 1.69 2.72 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 80 T 8.93 4.59 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 1.11 0.00 0.00 81 G 7.18 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 82 Q 8.31 4.69 0.00 1.83 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.89 0.00 0.00 0.00 0.00 0.00 1.16 1.93 0.00 83 C 8.73 4.81 0.00 3.16 2.97 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 84 F 9.05 5.16 0.00 3.23 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.50 4.24 1.96 0.00 0.00 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 1.22 0.87 0.97 0.00 0.00 86 D 9.40 4.13 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 87 R 8.54 3.12 0.00 1.91 2.31 0.00 3.30 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 88 N 8.16 4.43 0.00 2.77 2.88 0.00 0.00 6.92 7.65 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 89 G 7.01 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 K 7.91 4.60 0.00 1.85 1.95 0.00 1.55 0.00 0.00 1.84 0.00 0.00 3.21 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.51 7.81 91 E 8.74 4.85 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.36 0.00 92 V 9.33 5.09 2.31 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 1.16 0.00 0.00 1.13 0.00 0.00 93 L 9.47 5.17 0.00 1.85 1.84 -0.43 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 94 K 8.63 5.07 0.00 2.06 1.87 0.00 1.71 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.70 7.81 95 T 8.51 5.03 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 1.49 0.00 0.00 96 M 9.12 5.06 0.00 1.70 1.81 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.36 0.00 97 W 7.76 6.06 0.00 2.80 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 0.00 0.00 0.00 98 L 8.48 5.03 0.00 1.61 1.63 0.89 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 99 L 9.85 4.45 0.00 1.74 1.99 0.88 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 100 R 8.98 4.42 0.00 2.01 2.03 0.00 3.20 0.00 0.00 3.11 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 101 S 8.90 4.54 0.00 3.97 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.45 4.79 0.00 3.97 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 V 7.99 4.61 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 0.71 0.00 0.00 0.96 0.00 0.00 104 N 8.69 4.86 0.00 2.66 2.81 0.00 0.00 6.53 8.06 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 0.00 105 D 7.62 4.97 0.00 2.72 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.50 4.11 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.21 0.93 0.00 0.00 107 G 8.50 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 0.00 0.00 0.00 0.00 108 D 7.83 4.77 0.00 2.61 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 0.00 109 D 8.59 4.41 0.00 2.77 2.72 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 0.00 110 W 8.69 4.28 0.00 3.66 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 0.00 111 K 6.05 3.57 0.00 1.80 1.74 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.01 7.81 112 A 8.17 4.38 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 T 7.36 5.02 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 114 R 8.75 4.95 0.00 2.12 2.04 0.00 3.14 0.00 0.00 3.36 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 115 V 7.86 4.28 1.90 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 0.55 0.00 0.00 0.66 0.00 0.00 116 G 6.21 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 I 7.77 4.66 1.88 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.53 0.82 0.00 0.00 118 N 8.03 4.49 0.00 3.01 2.59 0.00 0.00 7.34 6.76 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 0.00 119 I 8.97 4.82 1.93 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 1.26 0.95 1.02 0.00 0.00 120 F 9.50 5.42 0.00 2.96 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 0.00 121 T 9.25 5.25 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 122 R 8.44 4.16 0.00 1.42 1.56 0.00 2.90 0.00 0.00 2.75 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.65 0.00 123 L 7.89 4.08 0.00 1.88 1.54 0.94 0.88 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 * Residues marked with a * may have inaccurate shift predictions.