NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *28 K 4.4148 8.1727 124.0572 55.0863 32.6176 173.2806 29 V 4.7298 7.7852 123.3163 59.8716 35.2341 169.4050 30 V 4.4030 9.0136 127.4511 61.1921 33.9918 173.4282 31 K 5.2859 8.8110 129.6755 54.7621 34.2824 174.8305 32 F 5.2594 8.7276 121.4541 55.9726 42.1247 172.6432 33 S 4.8509 8.5740 112.6479 57.6937 66.4188 172.5613 34 Y 4.6141 8.2441 119.9736 56.4937 42.2682 172.7009 35 M 4.9941 7.9936 126.3122 53.6426 34.2092 174.3414 36 W 4.8831 9.3700 135.0000 56.0736 33.1200 174.2767 37 T 4.8126 8.8327 124.2093 62.0968 69.7754 174.0503 38 I 4.1565 8.6391 128.8389 59.7350 38.6342 175.3304 39 N 4.8409 8.8384 124.6248 52.1550 40.0724 174.4184 40 N 4.1299 8.6523 115.0261 54.0319 36.4052 175.0510 41 F 4.0061 8.3155 119.1543 58.3769 40.2861 173.9386 42 S 4.4289 6.8276 120.3111 56.5842 65.3291 173.5348 43 F 4.2187 8.5568 122.5238 58.0264 39.5610 175.9304 44 C 4.3988 7.8946 122.8223 58.1168 32.1618 173.5412 45 R 3.8506 8.6037 128.7053 59.4990 29.6960 177.8438 46 E 4.1081 8.1812 114.4159 58.2635 29.5784 177.4278 47 E 4.4278 7.7910 118.2387 57.8279 31.2753 176.9619 48 M 4.0723 8.4374 117.5051 55.9187 32.9099 177.2990 49 G 4.0600 8.0026 104.3018 45.3933 0.0000 173.4444 50 E 4.1767 8.6624 119.2640 58.1979 30.0509 176.9988 51 V 4.9448 7.5108 118.0002 61.2618 34.6508 174.0562 52 I 4.8706 9.0165 120.7529 59.1392 40.7018 174.4408 53 K 5.1319 8.8286 123.6954 54.5985 35.3623 175.9534 54 S 3.6612 7.4258 118.1553 56.8839 64.6150 173.3764 55 S 4.4820 8.1091 115.1575 57.8513 63.1229 173.3718 56 T 4.5625 8.2143 113.4257 61.9709 69.8599 173.1757 57 F 4.9546 8.5920 116.5511 56.7711 41.7000 172.9560 58 S 4.5351 8.3218 112.7990 57.7810 64.8508 173.5678 59 S 3.8381 7.9390 113.2492 60.7373 62.5451 174.2463 60 G 3.9273 6.8017 108.5007 46.2397 0.0000 171.5129 *63 D 4.2461 7.8364 121.1436 53.7455 42.2772 176.7140 64 K 4.1014 8.4951 126.8319 56.1349 32.3413 174.0535 65 L 4.2202 7.9320 117.0473 55.0206 42.0787 176.5294 66 K 4.5025 7.9836 123.5954 54.6270 34.1000 176.0863 67 W 5.0714 8.8366 124.0854 55.1508 33.3446 173.8148 68 C 4.9772 8.5593 114.3863 57.5967 32.8676 172.8260 69 L 5.0894 8.7695 120.1900 53.5327 43.8964 175.7674 70 R 5.0726 9.0431 121.9458 54.7001 33.3393 174.0974 71 V 5.0995 9.3223 126.0570 61.3037 35.2376 174.1060 72 N 5.4168 8.9962 124.1502 49.9119 39.7355 173.1806 73 P 4.2893 0.0000 0.0000 64.7202 31.7655 177.1157 74 K 4.8036 7.8636 117.5690 53.8234 35.0488 175.6846 75 G 4.5073 9.0255 114.7382 45.8515 0.0000 173.5096 76 L 4.5440 8.6414 122.3402 54.8212 41.6944 175.9906 77 D 4.8719 7.7274 118.7396 51.8886 42.7414 175.8575 78 E 4.1616 8.9949 115.9059 59.2273 29.7376 180.0234 79 E 4.0821 8.4070 119.1876 58.1728 30.0428 177.2679 80 S 4.9708 8.2101 112.1869 57.6818 63.2572 176.1427 81 K 4.0515 7.9548 122.9585 60.2561 32.4623 177.1726 82 D 4.8648 8.3205 117.7851 54.2134 42.0300 175.2798 83 Y 5.2262 7.9345 116.2988 56.1157 42.1834 173.6923 84 L 5.3420 9.1964 122.8882 53.7926 44.5078 175.0946 85 S 5.2408 9.1416 122.3805 57.0378 65.3628 172.8470 86 L 4.8370 8.2864 125.2434 53.4401 44.7191 174.7835 87 Y 5.0865 9.0193 123.1153 56.0782 42.7771 173.8380 88 L 4.9938 9.4305 124.2174 53.4293 44.4774 174.7930 89 L 5.3048 9.0237 128.2643 53.1965 45.3159 174.9035 90 L 3.5675 8.5327 128.4991 54.0494 42.2191 177.1218 91 V 3.6398 8.1483 127.5810 65.1566 31.2481 175.9070 92 S 4.6584 7.5536 113.9969 56.3700 65.9900 171.9227 93 C 4.7960 8.5384 123.0229 57.1838 33.4373 171.7281 94 P 4.7046 0.0000 0.0000 63.3217 31.3988 176.2811 *97 E 4.4536 8.1954 115.9444 57.2113 32.1433 178.2641 98 V 4.6454 7.8525 117.7754 62.7166 35.7152 172.8979 99 R 5.5279 8.7619 125.3196 54.7306 33.5150 174.4509 100 A 5.0889 9.2256 122.8045 51.1249 23.1959 175.4524 101 K 4.9347 8.9598 120.2835 55.0778 35.0376 175.5238 102 F 5.2303 7.5355 115.6434 55.6180 42.0310 173.0589 103 K 4.8145 8.5014 119.9327 54.9158 35.9354 174.8070 104 F 5.8965 9.3844 125.5185 56.0882 42.6601 174.2630 105 S 5.2271 9.1566 115.3037 57.5341 66.9340 172.7667 106 I 4.8929 8.9035 122.4769 60.0217 39.2173 174.7843 107 L 4.9502 8.7428 127.7028 53.7204 42.5544 176.9715 108 N 4.7385 8.9710 122.4902 51.3113 39.0494 175.3540 109 A 3.9143 8.0096 120.6895 54.9469 18.2159 178.6422 110 K 4.3694 8.1210 112.9234 56.5903 32.7387 177.4297 111 G 3.8222 8.2117 105.9232 46.5695 0.0000 174.3765 112 E 4.3180 7.8119 119.0447 55.2537 30.7059 175.1759 113 E 4.7551 8.4404 120.7727 55.8706 30.5932 176.2417 114 T 4.6724 8.4928 112.6057 60.2300 72.2557 173.1817 115 K 3.7539 8.6090 117.6432 57.1994 29.7366 175.5488 116 A 4.6898 7.8815 118.6098 52.3658 19.6702 177.9882 117 M 4.5666 9.7170 121.3065 53.8677 35.5048 173.4996 118 E 5.1931 8.6101 126.5593 53.9903 32.9497 175.4106 119 S 4.4119 8.3056 121.2979 57.8620 63.8872 174.2987 120 Q 3.9941 8.9449 122.8759 59.0453 28.4964 175.9462 121 R 4.6464 7.4133 115.1274 53.3487 33.3542 174.6184 122 A 4.6126 8.0751 120.5974 51.7619 20.2419 176.6293 123 Y 4.2526 8.6204 117.1848 55.7411 41.8964 174.8781 124 R 4.9264 8.5182 122.3109 56.0530 30.7913 175.4691 125 F 5.2069 10.1588 125.7594 56.0609 42.4596 174.9409 126 V 4.5246 8.2000 113.4346 59.1653 36.6586 174.5590 127 Q 4.1199 8.6167 122.8641 58.1634 28.9708 177.1449 128 G 3.8622 9.0269 113.6692 45.0647 0.0000 172.7447 129 K 4.5199 7.9358 122.0054 54.9127 33.9274 174.9655 130 D 5.7705 8.2181 124.9373 51.6426 42.8601 174.7191 131 W 5.0498 9.0469 118.0972 55.0116 33.5826 175.2766 132 G 3.8907 8.0594 109.7887 46.2785 0.0000 173.0607 133 F 4.8123 7.7988 122.0112 55.3392 41.8043 175.9232 134 K 4.2677 8.8777 125.2719 58.3666 33.2729 177.6141 135 K 4.4346 7.6034 118.1631 55.1306 31.8444 175.7167 136 F 4.5275 8.2929 123.0194 60.9029 40.2938 175.0667 137 I 4.3719 7.4830 118.6483 59.1454 40.9693 173.6292 138 R 3.8248 8.4002 126.2499 55.9730 30.3350 178.1183 139 R 4.3235 9.2102 123.1936 58.9632 29.7663 179.4320 140 G 3.4453 7.8879 104.6942 47.4279 0.0000 175.4776 141 F 4.0073 8.3373 120.1858 60.2134 38.6848 177.6787 142 L 4.1764 8.0529 117.4247 57.8531 41.5745 178.9838 143 L 4.3861 7.3099 117.4127 56.7482 41.9404 176.5747 144 D 4.2226 7.4597 118.8049 54.3326 41.0444 176.4187 145 E 3.9897 8.7334 128.4750 58.5814 30.0288 178.6487 146 A 4.0452 7.9135 120.8017 55.0743 18.5689 178.2347 147 N 4.4287 8.1214 112.7630 53.9988 39.3737 175.3170 148 G 3.9085 7.7773 106.2207 46.6947 0.0000 174.9690 149 L 4.3936 7.9607 118.2769 54.9010 43.4984 177.2451 150 L 5.1268 7.6535 117.7654 51.4552 42.4449 175.0326 151 P 4.3476 0.0000 0.0000 65.1308 31.7736 177.0913 152 D 4.5689 9.4908 121.8070 54.3438 37.2417 169.6263 153 D 4.5939 8.1080 115.2899 56.0527 39.2084 173.3681 154 K 5.0058 7.9554 117.9104 54.4735 35.1812 174.9844 155 L 4.4990 8.6369 127.2025 53.5526 44.2570 174.9493 156 T 4.8483 8.3846 123.1851 61.9935 70.8530 173.1647 157 L 5.2572 9.0213 127.3990 52.8672 44.8784 175.4244 158 F 5.4695 9.4138 125.1942 56.6044 42.3236 173.1265 159 C 5.3274 8.6271 126.3760 57.5172 34.7165 172.1391 160 E 4.7184 8.6911 124.8692 54.4065 32.1393 174.9215 161 V 4.3873 8.2236 124.8811 60.8490 34.4833 174.5099 162 S 4.9281 8.7705 123.4349 56.7997 65.6900 173.0688 163 V 4.5227 8.9314 126.6428 61.6952 32.8882 175.0900 164 V 4.2549 8.5801 128.9062 62.6770 32.2575 175.8254 165 Q 4.3359 9.2253 126.3515 56.1638 28.3390 175.7177 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 *28 K 8.17 4.41 0.00 1.47 1.80 0.00 1.69 0.00 0.00 1.81 0.00 0.00 2.76 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.02 7.81 29 V 7.79 4.73 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 0.93 0.00 0.00 0.94 0.00 0.00 30 V 9.01 4.40 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 0.97 0.00 0.00 0.98 0.00 0.00 31 K 8.81 5.29 0.00 1.79 1.69 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.47 7.81 32 F 8.73 5.26 0.00 3.16 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 33 S 8.57 4.85 0.00 3.15 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 34 Y 8.24 4.61 0.00 1.73 1.67 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 35 M 7.99 4.99 0.00 1.95 2.06 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.51 0.00 36 W 9.37 4.88 0.00 3.46 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 37 T 8.83 4.81 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 1.24 0.00 0.00 38 I 8.64 4.16 1.64 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 -0.36 0.87 0.00 0.00 39 N 8.84 4.84 0.00 2.63 2.75 0.00 0.00 7.36 8.00 0.00 0.00 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 N 8.65 4.13 0.00 2.81 2.83 0.00 0.00 6.89 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 41 F 8.32 4.01 0.00 2.83 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 42 S 6.83 4.43 0.00 3.65 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 43 F 8.56 4.22 0.00 3.11 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 44 C 7.89 4.40 0.00 3.02 2.79 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 0.00 0.00 0.00 45 R 8.60 3.85 0.00 1.93 1.92 0.00 3.43 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 46 E 8.18 4.11 0.00 2.16 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 2.27 2.40 0.00 47 E 7.79 4.43 0.00 2.05 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 2.20 2.31 0.00 48 M 8.44 4.07 0.00 1.80 2.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.29 0.00 49 G 8.00 4.06 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 0.00 0.00 0.00 50 E 8.66 4.18 0.00 2.06 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 2.42 2.30 0.00 51 V 7.51 4.94 2.11 0.00 0.00 0.00 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 1.03 0.00 0.00 52 I 9.02 4.87 2.17 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 1.58 1.24 0.99 0.00 0.00 53 K 8.83 5.13 0.00 1.58 1.59 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.32 1.41 7.81 54 S 7.43 3.66 0.00 2.75 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 55 S 8.11 4.48 0.00 3.94 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 56 T 8.21 4.56 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 1.08 0.00 0.00 57 F 8.59 4.95 0.00 3.07 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 58 S 8.32 4.54 0.00 4.03 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 59 S 7.94 3.84 0.00 3.81 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 60 G 6.80 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 *63 D 7.84 4.25 0.00 2.54 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 64 K 8.50 4.10 0.00 1.81 1.70 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.33 1.02 7.81 65 L 7.93 4.22 0.00 1.77 1.27 1.04 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.98 4.50 0.00 1.48 1.52 0.00 1.52 0.00 0.00 1.54 0.00 0.00 2.75 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.43 7.81 67 W 8.84 5.07 0.00 1.78 2.51 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 0.00 68 C 8.56 4.98 0.00 3.08 2.82 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 0.00 0.00 0.00 69 L 8.77 5.09 0.00 1.33 1.75 1.25 0.95 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 70 R 9.04 5.07 0.00 1.86 1.83 0.00 2.95 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 1.64 1.58 0.00 71 V 9.32 5.10 2.32 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 1.05 0.00 0.00 1.05 0.00 0.00 72 N 9.00 5.42 0.00 2.81 2.98 0.00 0.00 6.85 7.57 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 73 P 0.00 4.29 0.00 2.02 2.04 0.00 3.79 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.14 0.00 74 K 7.86 4.80 0.00 1.74 1.71 0.00 1.87 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.50 7.81 75 G 9.03 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 0.00 0.00 0.00 0.00 76 L 8.64 4.54 0.00 1.70 1.73 0.94 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 77 D 7.73 4.87 0.00 2.81 2.61 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 78 E 8.99 4.16 0.00 1.91 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 2.32 1.89 0.00 79 E 8.41 4.08 0.00 1.96 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 2.31 2.34 0.00 80 S 8.21 4.97 0.00 4.31 4.06 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 81 K 7.95 4.05 0.00 1.92 2.19 0.00 1.63 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.69 1.48 7.81 82 D 8.32 4.86 0.00 2.46 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 83 Y 7.93 5.23 0.00 3.05 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 84 L 9.20 5.34 0.00 1.87 1.70 1.07 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 85 S 9.14 5.24 0.00 4.01 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 86 L 8.29 4.84 0.00 1.35 0.74 0.67 -0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 9.02 5.09 0.00 2.85 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 88 L 9.43 4.99 0.00 1.81 1.49 0.98 -0.07 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 89 L 9.02 5.30 0.00 1.80 1.64 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.53 3.57 0.00 1.47 1.58 -0.47 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 91 V 8.15 3.64 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 0.69 0.00 0.00 0.78 0.00 0.00 92 S 7.55 4.66 0.00 3.76 3.78 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 93 C 8.54 4.80 0.00 2.70 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.70 0.00 2.14 2.02 0.00 3.75 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.85 0.00 *97 E 8.20 4.45 0.00 1.80 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 2.13 1.89 0.00 98 V 7.85 4.65 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 1.15 0.00 0.00 0.98 0.00 0.00 99 R 8.76 5.53 0.00 1.85 1.84 0.00 3.21 0.00 0.00 3.36 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 100 A 9.23 5.09 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 0.00 101 K 8.96 4.93 0.00 1.61 1.54 0.00 1.53 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.28 7.81 102 F 7.54 5.23 0.00 2.57 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 0.00 103 K 8.50 4.81 0.00 1.70 1.50 0.00 1.55 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.40 7.81 104 F 9.38 5.90 0.00 2.81 2.39 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 0.00 105 S 9.16 5.23 0.00 4.15 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 0.00 106 I 8.90 4.89 1.91 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.86 0.95 0.00 0.00 107 L 8.74 4.95 0.00 1.60 1.57 0.90 0.79 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 0.00 108 N 8.97 4.74 0.00 3.06 2.98 0.00 0.00 6.38 7.59 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 0.00 109 A 8.01 3.91 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 0.00 110 K 8.12 4.37 0.00 1.87 1.87 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.52 7.81 111 G 8.21 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 112 E 7.81 4.32 0.00 2.03 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 2.35 2.30 0.00 113 E 8.44 4.76 0.00 1.98 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 2.35 2.26 0.00 114 T 8.49 4.67 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 1.22 0.00 0.00 115 K 8.61 3.75 0.00 1.66 1.53 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.21 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.28 1.18 7.81 116 A 7.88 4.69 1.28 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 0.00 117 M 9.72 4.57 0.00 2.06 1.92 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.81 0.00 118 E 8.61 5.19 0.00 1.87 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 119 S 8.31 4.41 0.00 3.91 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 0.00 120 Q 8.94 3.99 0.00 2.13 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 121 R 7.41 4.65 0.00 1.18 1.60 0.00 3.12 0.00 0.00 3.05 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.52 0.00 122 A 8.08 4.61 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 0.00 123 Y 8.62 4.25 0.00 2.37 1.43 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 0.00 124 R 8.52 4.93 0.00 1.89 1.97 0.00 3.24 0.00 0.00 3.29 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 125 F 10.16 5.21 0.00 3.13 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 0.00 126 V 8.20 4.52 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 0.91 0.00 0.00 0.94 0.00 0.00 127 Q 8.62 4.12 0.00 1.91 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.71 0.00 0.00 0.00 0.00 0.00 2.27 2.50 0.00 128 G 9.03 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 129 K 7.94 4.52 0.00 1.86 2.00 0.00 1.08 0.00 0.00 1.49 0.00 0.00 2.76 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 1.13 7.81 130 D 8.22 5.77 0.00 2.83 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 0.00 131 W 9.05 5.05 0.00 3.17 2.86 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 0.00 0.00 0.00 132 G 8.06 3.89 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 0.00 0.00 0.00 133 F 7.80 4.81 0.00 3.22 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 0.00 134 K 8.88 4.27 0.00 2.00 2.15 0.00 1.20 0.00 0.00 0.61 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.48 1.44 7.81 135 K 7.60 4.43 0.00 1.41 0.74 0.00 0.81 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.74 1.15 7.81 136 F 8.29 4.53 0.00 3.19 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 0.00 137 I 7.48 4.37 1.21 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.06 0.97 0.00 0.00 138 R 8.40 3.82 0.00 1.85 1.84 0.00 3.20 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 1.47 0.00 139 R 9.21 4.32 0.00 1.99 2.11 0.00 3.58 0.00 0.00 3.30 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.76 0.00 140 G 7.89 3.45 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 0.00 141 F 8.34 4.01 0.00 3.25 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 0.00 142 L 8.05 4.18 0.00 2.05 2.06 0.95 0.93 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 0.00 143 L 7.31 4.39 0.00 1.74 1.61 0.61 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 144 D 7.46 4.22 0.00 2.58 2.51 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 0.00 145 E 8.73 3.99 0.00 2.03 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 2.37 2.31 0.00 146 A 7.91 4.05 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 0.00 147 N 8.12 4.43 0.00 2.90 2.95 0.00 0.00 6.98 6.94 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 0.00 148 G 7.78 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 0.00 0.00 0.00 149 L 7.96 4.39 0.00 1.63 1.69 0.99 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 150 L 7.65 5.13 0.00 1.66 1.57 0.98 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 151 P 0.00 4.35 0.00 2.19 2.19 0.00 4.04 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.95 0.00 152 D 9.49 4.57 0.00 2.84 2.62 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 0.00 153 D 8.11 4.59 0.00 2.91 2.82 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 0.00 0.00 0.00 154 K 7.96 5.01 0.00 1.91 1.63 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.84 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.44 1.34 7.81 155 L 8.64 4.50 0.00 1.10 1.15 0.76 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 156 T 8.38 4.85 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 1.20 0.00 0.00 157 L 9.02 5.26 0.00 1.67 1.63 0.84 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 158 F 9.41 5.47 0.00 3.03 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 0.00 159 C 8.63 5.33 0.00 3.22 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 0.00 160 E 8.69 4.72 0.00 1.75 1.61 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 1.93 1.67 0.00 161 V 8.22 4.39 0.67 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 0.16 0.00 0.00 0.38 0.00 0.00 162 S 8.77 4.93 0.00 3.67 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 V 8.93 4.52 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 1.23 0.00 0.00 1.28 0.00 0.00 164 V 8.58 4.25 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 0.81 0.00 0.00 0.95 0.00 0.00 165 Q 9.23 4.34 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.32 0.00 0.00 0.00 0.00 0.00 2.53 2.48 0.00 * Residues marked with a * may have inaccurate shift predictions.