NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *5 D 4.6357 8.3644 119.5559 53.0789 40.9451 174.7854 6 K 4.1113 8.6732 126.5897 54.5597 33.0555 174.6857 7 I 5.4630 7.9934 112.3015 58.5233 41.5145 174.3333 8 T 5.0725 8.6468 119.6741 62.4116 70.9344 173.8622 9 V 4.4185 8.7708 124.2093 61.6479 35.5431 173.3118 10 H 5.0666 9.0094 124.9755 54.2718 31.0340 173.6091 11 F 4.8781 8.9555 121.8979 55.9560 41.3889 175.1440 12 I 4.3545 8.5787 126.5331 59.4449 36.9881 175.4221 13 N 4.7765 8.8095 126.5576 53.1958 39.5091 176.1567 14 R 4.1382 9.1029 120.2825 58.7253 30.1119 177.0989 15 D 4.7469 8.1531 116.5326 53.4548 40.2260 177.6409 16 G 4.3146 7.8145 113.6864 47.2399 0.0000 175.2608 17 E 4.0379 7.5454 118.5115 57.3173 30.6227 176.6506 18 T 5.0033 8.4541 119.1563 61.9532 71.2974 174.3246 19 L 4.6511 8.9760 125.6670 53.2774 43.9089 175.8414 20 T 4.7887 8.3956 120.3700 63.5665 69.7696 174.0401 21 T 4.2565 7.9668 117.2469 61.7779 71.7117 171.6200 22 K 5.1437 8.8173 123.9311 54.6187 35.1981 176.1486 23 G 4.3380 8.8931 110.2307 44.0635 0.0000 172.0767 24 K 4.4483 8.7705 124.2002 56.4920 33.8190 176.6141 25 I 3.6360 8.4468 123.9141 63.2905 37.6095 175.5746 26 G 4.0857 8.6976 111.4150 45.5937 0.0000 173.9825 27 D 4.7021 7.6889 119.8517 53.3061 42.0491 176.3777 28 S 5.4566 8.8731 116.8426 57.3595 64.0497 175.4657 29 L 4.2505 8.6061 121.1400 57.5538 41.2692 179.5342 30 L 4.3025 7.7804 120.4098 58.2065 42.1565 178.6132 31 D 4.3915 8.2856 119.0592 57.2576 40.5705 178.8432 32 V 3.5912 7.7218 118.3330 65.9040 31.6407 178.0923 33 V 3.1756 7.9723 118.3881 65.9881 31.3799 177.8825 34 V 3.5529 8.3207 119.1135 65.3651 30.8707 178.2830 35 Q 3.9892 8.0120 119.2237 57.5540 28.7851 177.3654 36 N 4.5139 7.5840 111.8404 52.6056 39.2105 174.3696 37 N 4.1249 7.7703 114.8903 54.1022 36.4863 174.6414 38 L 4.0729 7.4908 117.0492 54.4791 42.6212 178.0328 39 D 4.4733 8.2650 123.2699 52.6341 39.9308 173.7710 40 I 4.2311 7.1925 122.9813 59.2749 38.3069 174.5901 41 D 4.2285 8.5144 126.1151 54.1535 39.4888 177.7517 42 G 4.0122 8.5610 116.4789 46.2058 0.0000 172.1528 43 F 4.5048 7.6923 119.5279 57.1107 40.8816 175.1618 44 G 3.6107 8.2366 115.9925 46.4188 0.0000 174.6691 45 A 3.9491 8.4429 123.7920 55.2205 18.8808 179.0650 46 C 4.3218 7.9849 106.9261 57.8757 30.4353 172.8741 47 E 3.5943 8.1617 118.6910 58.1182 26.9413 174.5491 48 G 3.9725 8.1199 101.4931 47.6722 0.0000 173.8744 49 T 4.4861 7.4407 102.4428 60.4430 70.1059 174.0425 50 L 3.5582 8.0990 118.5683 56.9587 38.5045 174.5587 51 A 4.7208 7.9738 117.6039 51.7691 20.8611 175.9227 52 C 4.6671 7.5577 109.1969 57.6081 31.9756 175.1358 53 S 4.5553 8.3342 115.7846 59.2945 63.2790 175.5659 54 T 3.8642 7.9093 112.8717 64.2334 68.9678 175.1096 55 C 2.4500 7.4443 116.5952 57.3583 29.9485 172.2681 56 H 4.6013 7.3681 120.8811 57.4938 29.8094 174.4873 57 L 4.8240 9.3546 124.1992 53.1996 46.7313 175.7638 58 I 4.6672 8.2252 123.2118 59.8355 38.2211 175.5064 59 F 4.6499 9.0190 126.1332 56.4419 40.2910 175.7835 60 E 4.1450 8.7040 119.9555 56.1101 30.2385 177.8138 61 Q 4.0779 9.0436 124.2506 59.8524 28.8560 178.7157 62 H 4.6415 8.1643 114.2587 57.0960 28.8585 176.0942 63 I 4.3164 7.2999 121.8413 62.4147 38.9337 177.0483 64 F 4.0642 8.6525 122.0095 61.5727 38.7538 176.8217 65 E 3.9004 8.0141 118.0500 58.4038 29.0933 178.3892 66 K 4.2590 7.6350 116.8603 55.9492 32.8600 176.1117 67 L 4.4730 7.0194 117.4016 52.6102 43.4343 176.6233 68 E 3.7958 8.5117 119.3997 56.5079 29.9241 177.4261 69 A 3.9138 8.3284 125.0349 52.0807 18.8785 177.3993 70 I 3.7682 8.1642 124.1628 61.0017 38.8959 176.1872 71 T 4.4471 8.1016 117.8947 60.5927 71.9271 175.6433 72 D 4.3544 8.3815 120.4931 57.4784 39.2541 178.6854 73 E 4.1216 8.2264 118.6904 59.3005 29.4048 178.6983 74 E 4.3368 7.8065 118.4222 58.8073 29.9068 178.2355 75 N 4.4167 8.1005 116.6373 56.1664 38.3154 177.0922 76 D 4.3673 8.4378 120.2101 57.4934 40.6564 178.1635 77 M 4.2293 7.5535 118.0668 57.4088 32.3217 178.3983 78 L 3.9825 7.8875 120.6256 57.8610 41.9846 178.6093 79 D 4.4368 7.8841 118.2075 56.6230 40.7985 177.5600 80 L 4.3224 7.3459 116.0123 54.0190 42.2954 176.4349 81 A 4.3751 7.1179 122.7712 51.0705 18.7200 176.9003 82 Y 4.5751 7.8759 119.3109 56.4113 39.8936 175.5548 83 G 3.9687 8.9289 106.0339 46.3826 0.0000 173.6976 84 L 4.1342 7.4044 119.4872 54.8243 42.5693 176.1110 85 T 4.7697 8.5585 116.0011 60.1579 71.4218 173.0553 86 D 4.5717 8.4751 119.1163 55.5276 41.3865 177.0170 87 R 2.8633 7.6651 118.8044 55.3092 31.6113 175.3653 88 S 5.1992 7.7959 114.3824 58.3903 64.2147 173.8071 89 R 4.8426 8.9110 120.5897 55.1316 35.4834 174.5777 90 L 4.5341 9.2898 122.2037 53.8933 42.0186 178.1332 91 G 4.2849 9.1864 115.3428 49.1061 0.0000 174.2415 92 C 4.5145 8.1422 111.6132 59.3608 29.8204 173.7876 93 Q 4.3400 8.3489 119.1037 56.0849 29.3847 175.1931 94 I 4.3261 7.6514 120.0111 59.9339 38.5721 174.4885 95 C 4.8540 8.5345 125.3914 58.2709 29.4791 174.1008 96 L 4.3520 9.3488 124.5815 55.5265 42.8582 176.2325 97 T 4.8970 8.2503 110.7946 59.4925 72.3014 174.6561 98 K 3.9146 8.7499 121.8312 59.2737 32.3077 177.8415 99 A 4.1603 7.8903 118.9925 53.3245 18.8984 177.4829 100 M 4.2969 7.9220 115.1167 55.6317 32.9427 175.9188 101 D 4.5604 7.3366 118.9912 56.2249 41.5288 176.9315 102 N 4.4074 9.9070 123.2468 53.4390 37.1117 173.9915 103 M 4.5680 7.9230 117.0430 55.6233 33.0968 175.4208 104 T 4.8557 8.4838 114.6487 62.0745 71.5938 174.1760 105 V 4.1294 8.2658 120.7644 59.4527 34.2435 175.0786 106 R 4.6901 8.2476 124.8546 54.3293 32.4464 174.8058 107 V 4.2965 8.1875 127.2183 61.4612 32.1368 174.0978 108 P 4.4117 0.0000 0.0000 63.7170 33.1668 173.4632 109 D 4.6922 9.0870 117.5822 52.3986 41.2194 175.9315 110 A 3.4364 9.1110 122.5372 53.7611 18.0563 178.8713 111 V 3.9528 8.2593 115.5779 62.3672 30.8663 176.5708 112 S 4.3939 7.9252 120.5497 57.5990 63.6351 175.5936 113 D 4.5310 7.8160 121.4790 56.8997 41.1096 177.8922 114 A 4.0682 7.8184 121.0092 54.8286 18.5019 178.3489 115 R 4.1127 8.1129 111.2626 57.3531 29.9616 176.8460 116 E 4.4660 7.5383 119.0272 55.1374 28.7071 176.1417 117 S 4.1652 8.0939 118.4495 58.8189 63.9169 174.5971 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 D 8.36 4.64 0.00 2.71 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 6 K 8.67 4.11 0.00 1.79 1.86 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.50 7.81 7 I 7.99 5.46 1.88 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 1.37 1.25 0.97 0.00 0.00 8 T 8.65 5.07 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 1.16 0.00 0.00 9 V 8.77 4.42 2.25 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 0.56 0.00 0.00 0.95 0.00 0.00 10 H 9.01 5.07 0.00 3.13 3.17 0.00 5.63 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 F 8.96 4.88 0.00 3.02 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 12 I 8.58 4.35 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.01 0.91 0.00 0.00 13 N 8.81 4.78 0.00 2.75 2.88 0.00 0.00 7.08 7.76 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 14 R 9.10 4.14 0.00 1.84 2.02 0.00 3.28 0.00 0.00 3.37 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.64 0.00 15 D 8.15 4.75 0.00 2.76 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 16 G 7.81 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 17 E 7.55 4.04 0.00 2.11 1.91 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 2.51 2.47 0.00 18 T 8.45 5.00 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 19 L 8.98 4.65 0.00 1.51 1.52 0.82 0.70 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 20 T 8.40 4.79 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 1.29 0.00 0.00 21 T 7.97 4.26 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 1.18 0.00 0.00 22 K 8.82 5.14 0.00 1.65 1.86 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.77 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.41 7.81 23 G 8.89 4.34 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 0.00 24 K 8.77 4.45 0.00 1.82 1.97 0.00 1.56 0.00 0.00 1.87 0.00 0.00 3.20 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.63 1.43 7.81 25 I 8.45 3.64 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 1.37 0.55 0.96 0.00 0.00 26 G 8.70 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 0.00 0.00 0.00 27 D 7.69 4.70 0.00 2.80 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 28 S 8.87 5.46 0.00 4.22 4.05 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 29 L 8.61 4.25 0.00 2.12 2.06 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.78 4.30 0.00 2.04 1.79 1.01 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.29 4.39 0.00 2.99 2.73 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 32 V 7.72 3.59 2.40 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 1.09 0.00 0.00 1.02 0.00 0.00 33 V 7.97 3.18 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 0.53 0.00 0.00 0.20 0.00 0.00 34 V 8.32 3.55 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 0.87 0.00 0.00 0.94 0.00 0.00 35 Q 8.01 3.99 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.88 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 36 N 7.58 4.51 0.00 2.91 2.72 0.00 0.00 7.01 7.88 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 37 N 7.77 4.12 0.00 2.82 2.84 0.00 0.00 6.98 7.43 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 38 L 7.49 4.07 0.00 1.31 1.29 -0.02 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.26 4.47 0.00 2.86 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 40 I 7.19 4.23 1.82 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 1.30 0.70 1.06 0.00 0.00 41 D 8.51 4.23 0.00 2.72 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 42 G 8.56 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 0.00 0.00 0.00 43 F 7.69 4.50 0.00 3.20 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 44 G 8.24 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.44 3.95 1.27 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 0.00 0.00 0.00 46 C 7.98 4.32 0.00 3.08 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 47 E 8.16 3.59 0.00 2.10 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 0.00 2.26 2.38 0.00 48 G 8.12 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 49 T 7.44 4.49 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 50 L 8.10 3.56 0.00 1.81 1.79 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 51 A 7.97 4.72 1.22 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 0.00 0.00 52 C 7.56 4.67 0.00 2.99 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 53 S 8.33 4.56 0.00 3.86 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 0.00 54 T 7.91 3.86 4.39 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 1.18 0.00 0.00 55 C 7.44 2.45 0.00 2.73 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 56 H 7.37 4.60 0.00 3.12 3.11 0.00 5.71 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 9.35 4.82 0.00 1.69 1.12 1.06 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 8.23 4.67 1.91 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 1.20 0.99 0.86 0.00 0.00 59 F 9.02 4.65 0.00 2.98 3.07 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 0.00 0.00 0.00 60 E 8.70 4.14 0.00 1.93 1.74 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 2.40 2.47 0.00 61 Q 9.04 4.08 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.93 0.00 0.00 0.00 0.00 0.00 2.48 2.72 0.00 62 H 8.16 4.64 0.00 3.33 3.47 0.00 5.34 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 7.30 4.32 1.99 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.97 1.02 0.00 0.00 64 F 8.65 4.06 0.00 3.15 3.10 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 0.00 65 E 8.01 3.90 0.00 1.99 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 2.41 2.76 0.00 66 K 7.64 4.26 0.00 1.68 1.74 0.00 1.55 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.38 7.81 67 L 7.02 4.47 0.00 1.33 1.30 0.33 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.51 3.80 0.00 1.87 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 2.27 2.25 0.00 69 A 8.33 3.91 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 70 I 8.16 3.77 1.83 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 1.46 1.00 0.89 0.00 0.00 71 T 8.10 4.45 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 1.19 0.00 0.00 72 D 8.38 4.35 0.00 2.70 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 73 E 8.23 4.12 0.00 1.96 2.00 0.00 0.00 0.00 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 2.31 0.00 74 E 7.81 4.34 0.00 2.04 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 2.27 2.33 0.00 75 N 8.10 4.42 0.00 2.95 2.85 0.00 0.00 6.98 8.14 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 76 D 8.44 4.37 0.00 2.74 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 77 M 7.55 4.23 0.00 2.28 2.07 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 2.57 2.80 0.00 78 L 7.89 3.98 0.00 2.01 1.73 0.78 1.11 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 79 D 7.88 4.44 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 80 L 7.35 4.32 0.00 1.74 1.70 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 81 A 7.12 4.38 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 82 Y 7.88 4.58 0.00 3.18 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 83 G 8.93 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 84 L 7.40 4.13 0.00 1.58 1.60 0.82 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 85 T 8.56 4.77 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 1.20 0.00 0.00 86 D 8.48 4.57 0.00 2.59 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 87 R 7.67 2.86 0.00 1.51 1.69 0.00 3.18 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.23 0.00 88 S 7.80 5.20 0.00 3.74 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 89 R 8.91 4.84 0.00 1.85 1.79 0.00 3.44 0.00 0.00 3.33 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.65 0.00 90 L 9.29 4.53 0.00 1.72 1.62 0.95 0.80 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 91 G 9.19 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 92 C 8.14 4.51 0.00 3.14 3.12 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 0.00 0.00 0.00 93 Q 8.35 4.34 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.56 0.00 94 I 7.65 4.33 2.08 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 1.43 0.76 0.92 0.00 0.00 95 C 8.53 4.85 0.00 2.87 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 96 L 9.35 4.35 0.00 1.60 1.63 1.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 97 T 8.25 4.90 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 1.26 0.00 0.00 98 K 8.75 3.91 0.00 1.82 1.85 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.45 7.81 99 A 7.89 4.16 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 0.00 100 M 7.92 4.30 0.00 2.18 2.29 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.53 0.00 101 D 7.34 4.56 0.00 2.73 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 0.00 102 N 9.91 4.41 0.00 2.79 3.03 0.00 0.00 7.06 7.54 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 0.00 103 M 7.92 4.57 0.00 2.26 2.23 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.55 0.00 104 T 8.48 4.86 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 1.16 0.00 0.00 105 V 8.27 4.13 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 -0.24 0.00 0.00 -0.08 0.00 0.00 106 R 8.25 4.69 0.00 1.80 1.68 0.00 3.07 0.00 0.00 3.07 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.51 0.00 107 V 8.19 4.30 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 0.95 0.00 0.00 1.04 0.00 0.00 108 P 0.00 4.41 0.00 2.13 1.88 0.00 3.77 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 1.78 1.42 0.00 109 D 9.09 4.69 0.00 2.67 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 0.00 0.00 0.00 0.00 110 A 9.11 3.44 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 0.00 111 V 8.26 3.95 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 0.82 0.00 0.00 0.91 0.00 0.00 112 S 7.93 4.39 0.00 2.76 2.65 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 0.00 113 D 7.82 4.53 0.00 2.71 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 0.00 114 A 7.82 4.07 1.27 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 0.00 0.00 0.00 115 R 8.11 4.11 0.00 1.94 2.11 0.00 3.28 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.59 0.00 116 E 7.54 4.47 0.00 2.11 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 2.24 2.29 0.00 117 S 8.09 4.17 0.00 3.80 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 * Residues marked with a * may have inaccurate shift predictions.