NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.9882 8.3481 122.9781 52.1556 19.9346 175.8168 4 K 4.3678 8.0735 120.6430 54.9568 36.8419 174.8690 5 G 3.7403 9.3057 108.6990 46.7228 0.0000 174.1903 6 L 4.8072 8.3524 122.2461 54.8127 42.3699 177.6042 7 I 5.3792 9.3109 115.3119 59.7836 40.3270 175.1860 8 R 5.0499 7.6962 122.2570 55.3093 33.6205 173.5266 9 I 5.1311 9.6632 127.5236 59.5320 41.5850 174.3102 10 V 4.9755 9.4878 127.2221 60.9948 34.0400 174.1924 11 L 5.1922 9.4503 128.1491 54.2245 44.6187 174.3988 12 D 5.3800 8.6538 121.4274 51.7204 41.7036 175.1429 13 I 4.8248 8.5186 116.4294 58.7104 41.0570 174.4685 14 L 4.5184 8.1966 126.9648 54.8529 43.6306 175.4173 15 K 4.9763 8.6804 125.2455 54.1887 35.9059 173.3584 16 P 4.6159 0.0000 0.0000 63.4368 31.1791 175.9786 17 H 4.2644 9.1839 117.6585 58.1509 28.9399 175.7895 18 E 4.8618 7.8632 117.1509 53.7195 31.5361 174.0259 19 P 4.5428 0.0000 0.0000 61.7592 32.2016 176.1242 20 I 3.9880 8.1227 119.6371 61.3678 39.8657 175.9835 21 I 3.8419 8.1642 120.1116 62.7735 37.9429 175.3994 22 P 4.2851 0.0000 0.0000 66.0128 30.9232 177.7042 23 E 3.9738 8.4104 117.6193 59.8308 29.4062 178.5976 24 Y 3.5145 7.8514 115.4492 61.1161 37.8073 178.8045 25 A 3.9838 7.7706 119.9754 55.2976 18.8147 178.9010 26 K 3.8178 8.3767 117.9145 60.3842 32.0684 177.7984 27 Y 4.0464 8.2131 119.1352 60.9416 38.7130 178.2652 28 L 4.0891 8.1832 118.7953 56.7941 41.6371 179.1696 29 S 4.1735 7.8004 114.8161 61.3102 62.6853 176.2312 30 E 4.0013 7.4810 120.9192 58.4543 29.4600 177.5995 31 L 3.8529 6.4081 116.1869 54.3614 42.2313 177.1164 32 R 3.7900 8.2523 119.9171 58.1518 29.3011 176.3897 33 G 3.5765 8.6409 117.0086 46.5527 0.0000 172.4988 34 V 4.3478 7.4984 119.7988 60.6417 31.5945 174.7003 35 E 4.0627 9.0527 127.6126 58.0624 29.7226 177.8403 36 G 4.2353 7.2386 105.1481 45.9513 0.0000 172.1775 37 V 5.1369 8.3719 119.4586 59.6290 34.3613 174.2881 38 N 5.0545 9.5063 122.7604 51.8827 41.8302 173.3306 39 I 5.6778 8.4955 125.1955 59.0465 40.4736 174.6340 40 T 4.5718 8.4536 117.3325 59.9949 71.6030 173.7194 41 L 4.5861 8.1678 124.5941 53.9545 44.2553 175.0450 *43 E 4.0031 8.3926 121.8468 55.4883 30.8550 175.1940 44 I 4.5770 7.7676 124.8990 58.8277 37.8425 173.5389 45 D 4.5652 7.8173 124.2588 54.1190 41.9181 178.7434 46 K 4.0860 8.4937 119.0127 59.9589 32.9613 178.4473 47 E 4.0961 8.1571 117.9779 58.9735 29.7314 175.6715 48 T 4.7270 7.5078 111.1584 61.4924 71.6754 172.9175 49 E 4.3871 9.1239 125.0481 54.9187 32.6464 173.3461 50 N 5.0410 8.7332 127.9873 53.1637 39.5092 174.2089 51 I 4.6507 8.5027 119.5948 58.8941 41.4926 174.1199 52 K 4.5833 8.6654 124.7944 55.1738 34.0528 175.2370 53 V 4.6301 9.0500 127.6291 61.5534 33.9495 174.2831 54 T 4.8872 9.1576 126.0418 61.9157 70.7838 173.2650 55 I 4.9442 8.8206 127.9246 59.0679 40.8870 174.2065 56 Q 4.8419 9.6478 126.8585 54.1568 32.5112 175.9014 57 G 4.1487 8.0742 106.1963 46.2953 0.0000 170.2662 58 N 4.8838 7.7046 118.0017 53.7321 40.8286 175.6007 59 D 4.4664 8.1170 120.2563 55.7801 39.2634 173.2628 60 L 4.1707 8.6806 125.0144 54.0842 42.9146 177.0373 61 D 4.7679 8.4248 121.4186 52.7843 42.4267 176.9639 62 F 4.0628 8.8201 129.3884 61.6539 39.4770 176.6665 63 D 4.4283 8.3920 118.0344 57.1802 40.6814 178.1699 64 E 3.9792 8.2650 118.7488 59.6866 29.4955 179.4315 65 I 3.6783 7.3151 119.7143 64.4192 37.2678 178.1732 66 T 3.7329 7.4852 110.5561 65.3708 68.3015 176.2437 67 R 3.9290 7.7663 121.0794 58.4864 29.8201 178.8658 68 A 4.2067 7.8858 119.7719 55.3345 18.8009 179.5177 69 I 3.9853 7.9141 118.2684 64.6457 36.9491 178.2164 70 E 4.7787 8.6843 121.0846 58.8817 29.1624 179.3859 71 S 3.7384 7.9090 113.6977 61.3996 62.9657 174.9875 72 Y 3.4606 7.5013 119.8510 57.3017 38.8097 174.9543 73 G 4.1523 9.1445 108.9071 46.3309 0.0000 174.4815 74 G 4.0810 8.0305 106.2810 46.4667 0.0000 172.6466 75 S 5.0234 8.7710 113.6404 56.8392 66.2972 172.7462 76 I 4.3299 8.3714 127.8500 60.9845 37.3179 175.2601 77 H 4.7608 8.8581 125.2747 58.2337 29.0822 175.8644 78 S 4.7299 8.1521 111.2527 56.7601 67.1677 172.8146 79 V 4.2536 8.3287 120.6982 62.2263 31.1629 175.1742 80 D 4.6486 9.0783 129.5491 56.9960 41.6468 176.7313 81 E 4.8194 7.7429 115.8265 55.4406 32.8933 174.7129 82 V 5.1077 8.3438 117.1341 59.7295 36.2919 174.8847 83 V 4.5058 9.0731 122.7528 61.1351 34.5499 174.1089 84 A 4.9845 9.4733 128.7401 49.6686 21.7540 176.0355 85 G 3.9006 8.0469 109.3476 43.7543 0.0000 172.8739 86 R 4.4252 8.2312 119.1816 58.2842 31.9161 177.3731 87 T 4.3271 7.7861 106.0766 62.1067 66.6092 176.0440 *89 V 3.7745 8.9392 119.7125 62.2890 32.1160 173.7820 90 E 4.2031 8.5199 126.5983 55.8593 30.1137 176.2459 91 E 4.1310 8.4787 121.6479 56.0101 30.3355 176.2040 92 V 4.2447 8.2466 119.6688 60.0281 33.0355 175.6061 93 T 4.4678 8.1504 114.9400 61.0108 70.3534 173.8527 94 T 4.4101 7.8562 115.3040 60.3055 70.1428 171.3967 95 P 4.4228 0.0000 0.0000 63.2514 31.0956 176.0836 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 A 8.35 4.99 1.35 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 0.00 0.00 0.00 4 K 8.07 4.37 0.00 1.97 1.88 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.39 1.50 7.81 5 G 9.31 3.74 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 6 L 8.35 4.81 0.00 1.82 1.66 1.02 0.60 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 7 I 9.31 5.38 1.94 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 1.30 1.38 1.07 0.00 0.00 8 R 7.70 5.05 0.00 1.93 1.77 0.00 3.18 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 9 I 9.66 5.13 1.92 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.65 1.04 0.00 0.00 10 V 9.49 4.98 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 1.15 0.00 0.00 0.95 0.00 0.00 11 L 9.45 5.19 0.00 1.86 1.76 0.90 0.96 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 12 D 8.65 5.38 0.00 2.66 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 13 I 8.52 4.82 1.96 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.14 0.87 0.00 0.00 14 L 8.20 4.52 0.00 1.46 1.36 0.90 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.68 4.98 0.00 1.81 1.58 0.00 1.12 0.00 0.00 1.35 0.00 0.00 3.14 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.30 1.45 7.81 16 P 0.00 4.62 0.00 2.34 2.12 0.00 3.93 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 2.10 2.09 0.00 17 H 9.18 4.26 0.00 3.14 3.44 0.00 5.68 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 7.86 4.86 0.00 1.95 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 0.00 2.24 2.40 0.00 19 P 0.00 4.54 0.00 2.21 2.06 0.00 3.98 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 2.14 1.98 0.00 20 I 8.12 3.99 1.93 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 1.56 1.39 1.00 0.00 0.00 21 I 8.16 3.84 1.76 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 1.68 1.16 0.93 0.00 0.00 22 P 0.00 4.29 0.00 2.33 2.32 0.00 3.72 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 23 E 8.41 3.97 0.00 2.35 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 2.49 2.46 0.00 24 Y 7.85 3.51 0.00 3.25 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 25 A 7.77 3.98 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 26 K 8.38 3.82 0.00 1.88 2.03 0.00 1.57 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.55 7.81 27 Y 8.21 4.05 0.00 2.89 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 28 L 8.18 4.09 0.00 1.91 1.68 1.00 0.79 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 29 S 7.80 4.17 0.00 3.82 3.91 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 30 E 7.48 4.00 0.00 1.75 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 2.10 2.26 0.00 31 L 6.41 3.85 0.00 1.70 1.72 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.25 3.79 0.00 1.87 1.92 0.00 3.30 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 1.64 1.57 0.00 33 G 8.64 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.50 4.35 2.13 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 0.92 0.00 0.00 0.92 0.00 0.00 35 E 9.05 4.06 0.00 2.16 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 2.31 2.32 0.00 36 G 7.24 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 37 V 8.37 5.14 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 0.79 0.00 0.00 0.95 0.00 0.00 38 N 9.51 5.05 0.00 2.71 2.66 0.00 0.00 6.72 8.39 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 39 I 8.50 5.68 1.83 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 1.08 0.42 0.84 0.00 0.00 40 T 8.45 4.57 4.22 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 1.24 0.00 0.00 41 L 8.17 4.59 0.00 1.64 1.57 0.89 0.86 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 *43 E 8.39 4.00 0.00 2.11 1.83 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 2.27 2.31 0.00 44 I 7.77 4.58 1.82 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 1.39 0.98 0.89 0.00 0.00 45 D 7.82 4.57 0.00 2.83 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.49 4.09 0.00 1.87 1.95 0.00 1.58 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.46 7.81 47 E 8.16 4.10 0.00 2.01 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 2.32 2.25 0.00 48 T 7.51 4.73 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 1.22 0.00 0.00 49 E 9.12 4.39 0.00 1.87 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 2.10 2.16 0.00 50 N 8.73 5.04 0.00 2.85 2.68 0.00 0.00 7.05 8.04 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 51 I 8.50 4.65 1.87 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.57 0.76 0.00 0.00 52 K 8.67 4.58 0.00 1.83 1.67 0.00 1.56 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.36 7.81 53 V 9.05 4.63 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 0.91 0.00 0.00 0.87 0.00 0.00 54 T 9.16 4.89 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 1.21 0.00 0.00 55 I 8.82 4.94 1.87 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 1.28 1.48 0.98 0.00 0.00 56 Q 9.65 4.84 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.59 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 57 G 8.07 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 58 N 7.70 4.88 0.00 2.74 2.66 0.00 0.00 7.47 8.28 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 59 D 8.12 4.47 0.00 2.80 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 60 L 8.68 4.17 0.00 1.67 1.61 0.95 1.02 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 61 D 8.42 4.77 0.00 2.80 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 62 F 8.82 4.06 0.00 3.20 3.06 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 0.00 0.00 0.00 63 D 8.39 4.43 0.00 2.83 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 64 E 8.27 3.98 0.00 2.23 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 2.41 2.64 0.00 65 I 7.32 3.68 1.72 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 1.71 0.95 0.83 0.00 0.00 66 T 7.49 3.73 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 0.61 0.00 0.00 67 R 7.77 3.93 0.00 2.06 2.05 0.00 3.15 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 68 A 7.89 4.21 1.59 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 0.00 0.00 69 I 7.91 3.99 1.96 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 1.55 1.35 1.09 0.00 0.00 70 E 8.68 4.78 0.00 2.04 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 2.36 2.26 0.00 71 S 7.91 3.74 0.00 3.93 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 72 Y 7.50 3.46 0.00 2.98 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.14 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 74 G 8.03 4.08 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 0.00 0.00 0.00 75 S 8.77 5.02 0.00 3.91 3.66 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 76 I 8.37 4.33 1.90 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 1.31 0.56 0.97 0.00 0.00 77 H 8.86 4.76 0.00 3.22 3.33 0.00 5.62 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 S 8.15 4.73 0.00 3.82 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 79 V 8.33 4.25 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 0.90 0.00 0.00 1.19 0.00 0.00 80 D 9.08 4.65 0.00 2.61 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 81 E 7.74 4.82 0.00 2.01 1.73 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 2.26 2.31 0.00 82 V 8.34 5.11 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 0.84 0.00 0.00 0.93 0.00 0.00 83 V 9.07 4.51 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 0.96 0.00 0.00 0.94 0.00 0.00 84 A 9.47 4.98 1.18 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 85 G 8.05 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 86 R 8.23 4.43 0.00 1.78 1.97 0.00 3.00 0.00 0.00 2.25 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 87 T 7.79 4.33 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 1.21 0.00 0.00 *89 V 8.94 3.77 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 0.86 0.00 0.00 0.93 0.00 0.00 90 E 8.52 4.20 0.00 2.00 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 0.00 2.31 2.24 0.00 91 E 8.48 4.13 0.00 1.93 1.85 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 2.29 2.33 0.00 92 V 8.25 4.24 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 0.80 0.00 0.00 0.93 0.00 0.00 93 T 8.15 4.47 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 1.21 0.00 0.00 94 T 7.86 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 1.21 0.00 0.00 95 P 0.00 4.42 0.00 2.21 2.03 0.00 3.85 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 1.99 1.97 0.00 * Residues marked with a * may have inaccurate shift predictions.