NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.4119 8.4444 116.7655 55.2580 31.5126 174.6716 3 L 4.3046 8.3518 119.9941 54.4070 42.8028 175.5932 4 T 4.4953 9.3168 118.8071 60.3500 72.8693 175.4283 5 A 3.9925 8.3377 122.6678 55.2793 18.3056 179.8424 6 L 3.9674 7.9193 117.0384 57.9069 41.6388 179.2350 7 D 4.5137 8.3535 118.9866 57.4138 40.6294 178.8661 8 K 3.6520 7.6907 117.2937 59.5206 32.1468 178.9940 9 L 4.0544 7.6717 117.6703 57.7541 41.6050 178.8899 10 E 4.0996 8.0685 118.2419 59.1209 29.9669 179.6493 11 I 3.6038 7.4482 118.4466 61.6391 36.9814 177.7488 *13 E 4.3119 8.2431 121.5372 56.3689 31.6666 178.4047 14 L 3.8746 7.6795 118.4224 57.5747 41.4896 179.2211 15 A 3.8343 7.8415 119.8770 55.1487 18.1961 179.3017 16 A 3.9736 7.8896 117.3326 55.4181 18.5559 179.6392 17 R 4.0511 8.5175 115.9203 59.2204 30.4670 178.5501 18 F 4.3885 8.5033 120.7678 61.5686 39.3210 177.7188 19 E 4.1862 8.5743 114.6619 57.4927 28.8624 178.8792 *21 S 4.4720 7.9973 117.7909 58.6614 65.3655 176.0246 22 L 3.8169 8.1747 121.8758 58.1803 42.0110 178.7972 23 D 4.3527 8.1066 117.3011 57.1867 40.7656 177.6752 24 K 4.0744 8.0338 117.8456 56.9238 32.4950 176.0633 25 E 3.7959 7.6414 116.2280 58.2127 27.3789 175.5460 26 D 4.7044 8.3250 120.4355 52.8429 40.0551 175.5525 27 V 2.2447 7.8131 125.9364 63.8325 31.6068 178.1476 28 E 3.8994 8.0106 118.7689 59.3849 29.2162 178.8538 29 N 4.4540 8.1874 115.2534 55.9157 38.9433 176.7281 30 Y 4.1848 7.8584 121.2821 60.8410 38.9127 178.2144 31 L 4.0966 8.2834 119.8359 57.6503 41.4449 179.3272 32 A 4.2028 7.8496 120.1495 55.1268 18.5702 179.3439 33 T 3.9235 7.9692 107.5286 62.9935 69.0069 174.3117 34 F 5.0398 7.5266 120.1407 55.3989 40.8265 175.5821 35 A 3.8588 8.6886 127.1985 51.6664 18.9885 178.7746 36 S 4.0602 8.5423 114.3829 60.9503 62.7812 175.8313 37 D 4.9851 7.8453 117.8977 52.5822 39.7330 176.3077 38 G 4.1833 8.1613 107.2283 47.1342 0.0000 173.0547 39 A 5.3786 9.1876 121.2897 49.8882 23.3352 174.8256 40 L 5.3250 9.0484 122.0272 53.3683 45.1005 175.0566 41 Q 4.9483 9.5592 127.6362 54.5802 32.5212 174.5282 42 G 3.0000 7.7017 111.4864 45.3799 0.0000 172.8958 43 F 4.2300 8.1672 114.0663 59.3910 37.6751 176.6771 44 W 4.1701 6.0760 116.9222 57.6321 28.6984 175.7332 45 G 3.7375 5.8125 105.5904 44.0803 0.0000 171.5631 46 I 5.1534 8.0850 120.2182 59.3696 40.4313 175.0455 47 A 4.9584 9.1598 127.9985 50.0166 21.6911 175.0061 48 K 4.7298 9.2876 123.8533 55.8051 35.4575 177.3142 49 G 4.2425 8.9790 111.3433 45.6238 0.0000 174.5885 50 K 3.9039 8.3598 118.1743 59.0865 31.9517 179.4537 51 E 3.9032 8.0468 119.1568 59.4863 29.6873 178.6566 52 E 4.0310 8.0948 118.1075 59.2360 29.4689 179.2067 53 L 3.9600 8.2018 119.5255 57.5763 41.1613 179.3408 54 R 3.7916 8.1863 118.8274 59.6409 30.0004 178.5295 55 Q 4.2476 8.1730 117.8340 59.0341 28.5127 179.0026 56 G 3.6450 8.2583 105.9132 47.6872 0.0000 174.9500 57 F 3.7090 8.0414 122.1749 61.3646 39.5182 176.6562 58 Y 4.1142 7.4012 115.1581 60.6630 37.5710 178.5334 59 A 3.9260 7.8766 117.8656 53.1176 18.0024 178.9290 *61 L 3.8914 7.7734 121.1589 56.0892 43.5101 178.4065 62 D 4.3874 8.1222 117.7536 56.8617 41.0122 177.6096 63 T 4.2940 7.4110 108.5826 63.3282 69.5506 175.5532 64 F 4.8923 6.9401 111.0892 56.7131 42.2380 174.4213 65 A 4.4682 7.2167 122.4525 52.4254 19.3520 177.2328 66 R 3.9303 7.5860 116.3212 56.9930 30.9053 175.8774 67 G 3.8206 8.7977 111.0043 46.6418 0.0000 172.6409 68 K 5.2151 7.9440 117.1378 54.2107 36.7837 175.6339 69 R 4.7621 8.8870 119.5876 55.0746 32.7517 175.0755 70 H 5.1902 9.6370 122.7763 54.8525 29.8997 174.7081 71 C 4.9454 9.2063 121.8154 57.9152 31.1816 173.0158 72 S 5.3386 8.6886 118.0245 57.2011 63.6630 172.9909 73 S 4.5614 8.8602 119.6929 57.4000 66.9063 173.1068 74 N 4.2292 8.7384 114.2197 54.1243 35.5011 174.8097 75 A 4.2965 8.0048 119.2106 52.2366 19.2928 178.0875 76 I 4.5176 8.4597 122.8631 59.4535 40.2977 175.1062 77 I 4.8601 8.4196 127.3480 59.3924 40.0356 174.9410 78 Q 4.4684 9.9804 124.0167 53.8224 32.0581 175.8874 79 G 3.8003 7.5785 106.8428 45.9583 0.0000 169.0391 80 N 5.2146 8.1628 118.8866 51.7788 39.7506 174.2825 81 Y 4.2248 9.1320 114.8737 59.8226 38.3555 175.6807 82 D 4.0468 7.7556 117.2729 52.3633 41.7743 174.8932 83 E 5.3586 9.0162 119.3056 55.2837 34.2148 174.1929 84 A 5.1563 9.0885 124.7628 51.4441 23.7588 174.4335 85 T 5.3549 8.5438 108.8197 58.9951 72.7982 172.5282 *87 E 4.4008 8.5417 118.9546 56.8884 31.3154 175.4053 88 S 4.8899 8.0284 116.1482 58.2829 67.1458 172.7870 89 Y 5.4892 8.9436 117.6737 56.3055 40.9495 174.9414 90 L 5.3799 9.0126 124.0927 53.5306 45.1579 175.2107 91 T 5.1032 8.9811 116.1931 59.8396 72.0858 172.9921 92 V 4.9024 8.8697 123.9738 61.3217 34.7126 174.6482 93 V 4.8429 8.5033 119.3574 59.5046 36.2253 174.4303 94 N 4.8527 8.6470 120.0025 53.2849 38.7241 176.0474 95 R 4.2020 8.7728 121.7959 58.5759 30.5169 177.6935 96 E 4.2980 8.3442 116.4153 57.0962 30.1693 174.7969 97 D 4.7039 7.5500 116.2684 52.4832 42.3218 174.5365 98 L 4.5121 8.3513 116.5867 55.0254 41.8151 176.5497 99 N 4.8876 8.2033 117.1763 52.2651 40.6539 174.8812 100 R 4.6517 8.4236 119.0259 56.0206 30.9835 176.2234 101 A 4.5785 10.2263 121.7629 50.7503 21.7126 176.9224 102 G 3.9424 7.1953 101.9020 45.9912 0.0000 170.5274 103 S 5.1339 7.5632 112.1382 57.8714 66.3618 172.9146 104 A 4.9306 9.0084 120.6136 51.2642 23.0911 174.8601 105 F 5.1347 8.9758 122.2487 56.7324 41.7598 174.8139 106 V 4.6768 7.9360 125.3527 60.7467 34.5990 173.8019 107 K 4.6896 8.9359 129.0589 54.5840 34.3841 174.1514 108 D 5.4196 8.5636 126.4179 52.5906 44.3410 174.6546 109 Q 5.0262 9.1675 122.4248 54.3958 31.0812 175.2148 110 V 5.1052 8.9754 116.8957 59.7465 36.1030 174.6224 111 R 5.1693 9.1301 121.8599 54.8210 34.0491 173.6707 112 K 4.1089 8.0426 127.5405 55.1284 32.9423 175.9393 113 I 4.3943 8.6767 128.8515 60.6786 39.7977 175.5852 114 N 3.8650 9.9498 123.2967 54.3810 36.0794 175.2939 115 G 3.8798 8.4717 103.2519 45.1835 0.0000 173.5509 116 K 4.6593 7.7507 120.4092 54.0214 35.7577 175.1351 117 W 4.9771 9.0288 126.1249 56.5511 30.1876 175.4939 118 Y 4.9772 9.1281 120.2969 55.9553 42.5586 174.5957 119 L 4.2879 9.0552 123.1739 55.4423 42.2691 177.8279 120 I 4.0836 9.1587 125.7921 63.2314 39.0457 176.0604 121 L 5.0811 7.7398 124.2519 53.8671 45.5197 174.1189 122 R 5.1420 9.2035 127.3858 53.9010 32.5143 174.3388 123 Q 5.1132 9.1318 126.0523 54.3220 31.1698 174.4982 124 I 4.6766 8.6863 126.0405 59.8321 39.6031 174.8448 125 E 4.7264 9.2453 128.1689 54.2630 30.3987 174.9547 126 V 4.2603 8.2787 124.1749 62.6332 32.4793 175.3434 127 D 4.6254 9.1738 127.9452 53.6000 41.5406 175.9370 128 P 4.2755 0.0000 0.0000 64.8308 31.5140 178.0356 129 S 4.1328 7.8974 112.0850 60.1744 63.3112 174.2373 130 L 3.9205 7.5803 124.6220 54.6522 42.4080 175.3125 131 P 4.1953 0.0000 0.0000 65.7876 31.4181 178.3020 132 L 4.0886 7.9297 117.7683 57.5313 42.1630 177.6038 133 L 4.0987 7.6781 117.6868 56.4977 42.1670 176.7046 134 Q 4.1210 7.6440 121.2806 56.0990 28.5539 175.7661 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 2 E 8.44 4.41 0.00 2.01 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 2.13 1.88 0.00 3 L 8.35 4.30 0.00 1.74 1.64 0.91 0.55 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 4 T 9.32 4.50 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 1.32 0.00 0.00 5 A 8.34 3.99 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 6 L 7.92 3.97 0.00 1.75 1.78 0.95 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.35 4.51 0.00 2.92 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 8 K 7.69 3.65 0.00 1.81 1.77 0.00 1.66 0.00 0.00 1.63 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.58 7.81 9 L 7.67 4.05 0.00 1.74 1.70 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.07 4.10 0.00 2.12 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 0.00 2.38 2.38 0.00 11 I 7.45 3.60 1.56 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 -0.36 0.60 0.00 0.00 *13 E 8.24 4.31 0.00 2.17 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 2.28 2.45 0.00 14 L 7.68 3.87 0.00 1.75 1.58 0.87 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 15 A 7.84 3.83 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 16 A 7.89 3.97 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 17 R 8.52 4.05 0.00 1.97 2.03 0.00 3.17 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 18 F 8.50 4.39 0.00 3.02 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 19 E 8.57 4.19 0.00 2.15 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 0.00 2.70 2.63 0.00 *21 S 8.00 4.47 0.00 4.12 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 22 L 8.17 3.82 0.00 1.74 1.80 0.13 0.98 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 23 D 8.11 4.35 0.00 2.76 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 24 K 8.03 4.07 0.00 1.75 1.88 0.00 1.91 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.48 7.81 25 E 7.64 3.80 0.00 2.26 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 0.00 2.24 2.20 0.00 26 D 8.32 4.70 0.00 2.73 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 27 V 7.81 2.24 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 0.82 0.00 0.00 0.23 0.00 0.00 28 E 8.01 3.90 0.00 1.99 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 2.38 2.34 0.00 29 N 8.19 4.45 0.00 2.88 2.91 0.00 0.00 7.02 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 30 Y 7.86 4.18 0.00 2.93 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 31 L 8.28 4.10 0.00 1.86 1.73 0.88 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.85 4.20 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.97 3.92 4.07 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 1.35 0.00 0.00 34 F 7.53 5.04 0.00 3.21 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 35 A 8.69 3.86 1.31 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 36 S 8.54 4.06 0.00 3.96 4.07 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 37 D 7.85 4.99 0.00 2.78 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 38 G 8.16 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 0.00 0.00 0.00 0.00 39 A 9.19 5.38 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 40 L 9.05 5.33 0.00 2.08 1.71 1.39 1.46 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 41 Q 9.56 4.95 0.00 2.06 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.24 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 42 G 7.70 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 0.00 0.00 0.00 43 F 8.17 4.23 0.00 3.08 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 44 W 6.08 4.17 0.00 3.37 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 45 G 5.81 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 46 I 8.08 5.15 1.88 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 1.25 0.68 0.93 0.00 0.00 47 A 9.16 4.96 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 48 K 9.29 4.73 0.00 1.70 1.63 0.00 1.85 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.55 7.81 49 G 8.98 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 50 K 8.36 3.90 0.00 1.76 1.86 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.28 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.51 1.43 7.81 51 E 8.05 3.90 0.00 2.12 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 2.37 1.97 0.00 52 E 8.09 4.03 0.00 2.23 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 2.40 0.00 53 L 8.20 3.96 0.00 1.69 1.61 0.28 0.28 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 54 R 8.19 3.79 0.00 1.96 2.15 0.00 3.15 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.75 0.00 55 Q 8.17 4.25 0.00 2.30 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.60 2.55 0.00 56 G 8.26 3.64 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 0.00 0.00 0.00 57 F 8.04 3.71 0.00 2.44 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 58 Y 7.40 4.11 0.00 3.08 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 59 A 7.88 3.93 1.25 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 0.00 0.00 0.00 *61 L 7.77 3.89 0.00 1.50 1.52 0.08 0.77 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 62 D 8.12 4.39 0.00 2.67 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 63 T 7.41 4.29 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 1.20 0.00 0.00 64 F 6.94 4.89 0.00 3.08 3.17 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 0.00 0.00 0.00 65 A 7.22 4.47 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.59 3.93 0.00 1.75 1.79 0.00 3.25 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 67 G 8.80 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 68 K 7.94 5.22 0.00 1.60 1.78 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.62 1.37 7.81 69 R 8.89 4.76 0.00 1.68 1.84 0.00 3.30 0.00 0.00 3.20 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.73 0.00 70 H 9.64 5.19 0.00 3.08 3.46 0.00 5.79 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 C 9.21 4.95 0.00 2.87 2.83 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 72 S 8.69 5.34 0.00 3.88 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 73 S 8.86 4.56 0.00 3.93 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 74 N 8.74 4.23 0.00 2.46 2.63 0.00 0.00 6.90 7.35 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 75 A 8.00 4.30 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 76 I 8.46 4.52 1.96 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 1.17 0.82 0.94 0.00 0.00 77 I 8.42 4.86 1.74 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.49 0.70 0.00 0.00 78 Q 9.98 4.47 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.88 0.00 0.00 0.00 0.00 0.00 2.21 2.43 0.00 79 G 7.58 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 80 N 8.16 5.21 0.00 3.07 3.03 0.00 0.00 7.17 7.94 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 81 Y 9.13 4.22 0.00 3.21 3.25 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 0.00 82 D 7.76 4.05 0.00 1.97 1.55 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 0.00 0.00 0.00 0.00 83 E 9.02 5.36 0.00 1.94 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 2.20 2.18 0.00 84 A 9.09 5.16 1.09 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 85 T 8.54 5.35 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 1.22 0.00 0.00 *87 E 8.54 4.40 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 2.50 2.41 0.00 88 S 8.03 4.89 0.00 3.96 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 Y 8.94 5.49 0.00 2.86 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 90 L 9.01 5.38 0.00 1.76 1.54 1.18 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 91 T 8.98 5.10 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 92 V 8.87 4.90 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 0.86 0.00 0.00 0.95 0.00 0.00 93 V 8.50 4.84 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 0.72 0.00 0.00 0.99 0.00 0.00 94 N 8.65 4.85 0.00 2.93 2.74 0.00 0.00 6.99 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 95 R 8.77 4.20 0.00 1.77 1.99 0.00 3.16 0.00 0.00 3.33 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 96 E 8.34 4.30 0.00 1.95 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 2.27 2.28 0.00 97 D 7.55 4.70 0.00 2.70 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 98 L 8.35 4.51 0.00 1.65 1.71 0.92 0.98 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 99 N 8.20 4.89 0.00 2.79 2.72 0.00 0.00 7.03 7.36 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 0.00 100 R 8.42 4.65 0.00 1.69 1.85 0.00 3.14 0.00 0.00 3.22 7.24 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 A 10.23 4.58 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 0.00 102 G 7.20 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 0.00 0.00 0.00 103 S 7.56 5.13 0.00 3.88 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 0.00 104 A 9.01 4.93 1.31 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 0.00 105 F 8.98 5.13 0.00 3.21 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 0.00 106 V 7.94 4.68 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 0.71 0.00 0.00 0.88 0.00 0.00 107 K 8.94 4.69 0.00 1.82 1.60 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.29 1.39 7.81 108 D 8.56 5.42 0.00 2.47 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 0.00 0.00 0.00 0.00 109 Q 9.17 5.03 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.69 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 110 V 8.98 5.11 2.34 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 0.61 0.00 0.00 0.79 0.00 0.00 111 R 9.13 5.17 0.00 1.91 1.77 0.00 3.06 0.00 0.00 3.05 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.63 0.00 112 K 8.04 4.11 0.00 0.79 0.81 0.00 1.45 0.00 0.00 1.46 0.00 0.00 2.34 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.98 0.70 7.81 113 I 8.68 4.39 1.87 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.66 0.82 0.00 0.00 114 N 9.95 3.87 0.00 2.85 2.87 0.00 0.00 7.22 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 0.00 115 G 8.47 3.88 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 0.00 0.00 0.00 116 K 7.75 4.66 0.00 1.75 1.56 0.00 1.55 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.49 1.32 7.81 117 W 9.03 4.98 0.00 3.07 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 0.00 118 Y 9.13 4.98 0.00 2.89 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 0.00 119 L 9.06 4.29 0.00 1.04 1.33 0.12 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 120 I 9.16 4.08 2.05 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 1.20 1.20 0.96 0.00 0.00 121 L 7.74 5.08 0.00 1.77 1.50 1.03 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 122 R 9.20 5.14 0.00 1.88 1.89 0.00 2.47 0.00 0.00 2.65 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.36 0.00 123 Q 9.13 5.11 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.56 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 124 I 8.69 4.68 2.05 0.00 0.00 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 1.28 1.12 1.13 0.00 0.00 125 E 9.25 4.73 0.00 2.19 1.98 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 2.29 2.34 0.00 126 V 8.28 4.26 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 0.81 0.00 0.00 1.28 0.00 0.00 127 D 9.17 4.63 0.00 2.69 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 0.00 128 P 0.00 4.28 0.00 1.99 2.06 0.00 3.64 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 129 S 7.90 4.13 0.00 3.95 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 0.00 130 L 7.58 3.92 0.00 1.64 1.49 0.91 0.84 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 0.00 131 P 0.00 4.20 0.00 2.23 2.12 0.00 3.66 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 2.14 2.11 0.00 132 L 7.93 4.09 0.00 1.69 1.77 1.07 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 133 L 7.68 4.10 0.00 1.64 1.49 0.58 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 134 Q 7.64 4.12 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.55 0.00 0.00 0.00 0.00 0.00 2.57 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.