NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.4261 8.1701 111.0784 61.3129 69.8380 173.1543 3 A 4.1376 8.3890 129.4554 51.6341 19.8713 174.2755 4 S 5.2945 8.8759 115.4321 57.9141 66.4321 171.2626 *6 A 4.1095 8.3267 122.1032 51.6338 19.4917 176.3181 7 V 4.1109 8.0134 121.8109 60.7077 34.7272 174.4356 8 E 4.3899 8.6670 127.3085 55.8599 30.0237 177.9381 9 A 4.4039 9.0485 127.6704 54.6545 18.6744 178.4533 10 E 4.4234 8.3191 111.9204 58.3252 29.9530 176.7668 11 N 4.7286 8.1146 117.3935 52.9144 38.9250 175.2894 12 F 4.0620 7.7899 112.8117 57.0933 38.4194 174.8522 13 N 4.6956 9.0131 120.6432 56.3550 38.9915 175.3657 14 A 4.8728 7.8354 117.6556 50.9160 22.7626 175.5883 15 V 4.2038 7.9796 111.8544 59.9371 35.9697 175.4924 16 G 3.4774 6.6120 107.7627 45.9961 0.0000 171.5615 17 G 4.9986 8.4737 105.2452 44.2391 0.0000 173.2776 18 T 4.2531 7.8877 110.4453 62.1853 69.9856 175.4058 19 F 3.8915 8.0255 124.6392 58.0702 39.7425 174.4678 20 S 4.2748 7.8599 124.6282 58.2303 62.1602 173.3483 21 D 4.8911 8.6507 124.0891 52.5051 39.6862 177.3208 22 G 3.8391 8.0755 106.7503 46.2482 0.0000 173.7550 23 Q 4.2789 7.9176 117.9164 53.8631 30.2620 175.7895 24 A 4.0824 8.4591 122.6732 54.6258 17.7638 178.0674 25 Q 4.6997 7.5350 112.9146 53.1598 32.1753 174.6555 26 P 4.1825 0.0000 0.0000 64.6250 31.7486 176.5009 27 V 4.5839 6.9189 118.6986 61.3601 34.7036 174.2459 28 S 4.9806 9.1140 122.0150 56.7342 66.9378 172.7605 29 V 5.2539 8.4361 120.3120 61.6660 33.9003 173.8663 30 Y 5.1457 9.3828 124.1749 56.2802 42.1600 173.7371 31 T 4.8856 8.4484 115.6830 61.6015 71.9863 174.3023 32 V 4.3711 8.3809 124.8096 61.3790 34.3245 174.8256 33 N 4.2835 9.6548 120.3592 54.2798 35.8435 175.0342 34 G 3.9080 8.3571 103.2463 46.0835 0.0000 173.6394 35 N 4.8128 8.1042 118.1194 51.7956 39.9497 174.2642 36 T 4.7282 8.2141 119.3269 62.3381 70.3405 173.5924 37 A 4.8663 8.7387 126.2321 50.8913 23.7070 174.8366 38 I 5.0792 9.0792 113.5708 60.3899 40.0509 175.0997 39 N 5.4957 8.8202 120.5399 51.8036 41.1212 173.3006 40 Y 3.5282 7.8312 112.9998 59.1821 35.7583 171.0415 41 V 3.7078 7.3915 119.3394 61.8047 31.8357 174.5572 42 N 4.5021 8.6498 125.0320 50.3491 40.8646 174.1506 43 Q 4.0463 7.4332 120.8305 58.1066 29.3456 177.0506 44 G 4.0560 9.0707 114.2806 45.3585 0.0000 172.9655 45 D 4.8895 7.6377 119.8342 54.7957 42.3259 174.7302 46 Y 5.3599 7.8861 116.5432 56.1849 41.8246 173.3600 47 A 4.8843 9.0288 121.4558 50.3271 22.8739 174.6797 48 D 5.4348 8.9769 121.5237 52.8987 43.3700 175.2554 49 Y 5.2114 9.3457 119.0574 56.7063 42.8250 174.1822 50 T 5.0973 8.7806 117.3067 62.1079 71.3966 173.9875 51 I 4.7599 9.0119 125.4164 59.6198 41.5890 173.9323 52 A 5.0485 8.6816 127.9959 50.4077 21.0291 176.2897 53 V 4.1381 8.8186 121.9986 61.0900 33.3385 176.3664 54 A 3.9711 8.9044 131.8299 54.2800 18.7117 176.8880 55 Q 4.7252 7.8486 115.9550 53.7545 31.1621 175.4656 56 A 4.2083 9.0439 128.4228 52.1266 19.3646 176.7239 57 G 3.7630 7.6159 107.2204 46.4751 0.0000 170.4986 58 N 5.2773 8.4109 118.6784 52.4356 40.0880 173.7527 59 Y 4.7120 8.8290 124.3090 56.3326 40.9007 175.3689 60 T 4.4564 9.1640 121.5820 63.5270 70.1736 173.5154 61 I 4.6732 8.6296 126.6895 59.6679 39.5543 174.6390 62 S 4.9421 8.8003 121.1221 56.6632 65.6742 172.2229 63 Y 5.1786 9.1525 124.1707 56.7392 41.0695 175.0795 64 Q 5.2639 9.1672 122.0421 54.3289 29.2066 174.3168 65 A 5.4534 9.0706 124.9229 50.0250 23.0809 174.7853 66 G 4.6247 9.5251 105.7068 45.1175 0.0000 171.3304 67 S 4.3979 8.3181 113.3561 56.4010 66.3949 174.3756 68 G 3.0632 5.3800 110.1810 43.5965 0.0000 172.8224 69 V 4.4213 6.7396 111.5402 59.4996 35.8835 174.7942 70 T 4.1642 8.1272 117.9008 64.2976 69.2592 175.3126 71 G 4.1758 9.0989 114.6424 45.2439 0.0000 172.3736 72 G 4.6042 8.0416 106.7191 44.0506 0.0000 173.6292 73 S 5.1910 8.7485 118.9233 56.9820 68.0608 172.7423 74 I 4.5780 8.5571 124.4900 59.6778 38.9473 174.1350 75 E 4.9439 9.1186 129.1303 54.7779 31.2215 174.8969 76 F 4.7987 9.1813 129.8565 57.1020 42.0425 174.4345 *78 V 4.5424 8.0327 121.7074 62.7208 32.9451 173.9744 79 N 4.2217 8.9172 127.2540 53.1172 38.9658 174.0058 80 E 4.3784 8.9732 125.8947 55.0725 31.4107 175.9830 81 N 4.0106 9.8698 124.7019 54.2681 36.0979 175.5163 82 G 3.8524 8.6163 103.7627 45.0333 0.0000 173.1239 83 S 4.4640 7.5323 114.2559 55.7327 65.2476 172.6329 84 W 4.6789 8.7803 127.3348 56.5401 29.5678 175.2663 85 A 4.7465 9.0012 128.1598 49.9879 19.8707 176.4020 86 S 4.2174 8.9269 118.3315 59.2439 62.7145 172.6811 87 K 4.7364 9.6308 126.0307 57.7555 33.6006 176.3847 88 T 4.8533 7.8876 108.3185 59.9365 72.8911 172.1630 89 V 4.8532 8.3863 121.4602 61.6302 34.5264 174.5641 90 T 4.7127 8.9389 124.3929 61.3477 71.5913 173.4947 91 A 4.5248 8.7536 128.4929 51.5100 19.4154 176.4511 92 V 4.2138 8.2558 122.0124 60.3317 32.5648 174.0290 93 P 4.2420 0.0000 0.0000 63.2125 32.8573 175.3067 94 N 4.7547 8.6903 122.3801 52.1804 38.9355 174.3806 95 Q 4.5672 8.3246 123.0175 55.2775 30.8150 175.9568 96 G 3.9485 7.9792 107.0179 44.9313 0.0000 175.8063 97 W 4.3665 8.6762 123.1730 59.2505 29.1931 176.6386 98 D 4.4692 7.9981 114.7688 54.0285 41.1204 176.5438 99 N 4.5696 7.2196 120.2368 52.1148 37.0992 173.0488 100 F 4.8148 7.5883 120.0942 57.0938 40.3829 174.7074 101 Q 4.8754 9.4068 122.0460 52.9939 33.3362 172.8848 102 P 4.8653 0.0000 0.0000 63.2856 32.2544 175.3891 103 L 4.6997 8.9137 124.7115 53.0958 45.4258 174.6086 104 N 4.5853 9.1352 125.9231 53.6448 39.2333 174.1958 105 G 4.2741 8.8761 113.9738 45.7407 0.0000 175.2753 106 G 3.9743 9.1036 108.9186 44.9210 0.0000 172.9252 107 S 5.2295 8.2324 115.7455 56.6552 66.9104 174.4363 108 V 4.4913 8.6012 119.9938 60.3456 34.5767 173.4557 109 Y 4.8060 8.8395 126.6540 57.1214 39.7866 174.2870 110 L 4.8487 8.1162 126.1925 52.4810 45.4071 176.6051 111 S 4.7000 8.8266 117.7291 57.8550 64.2052 173.6563 112 A 4.2138 8.5037 122.9830 51.4929 18.9872 178.2839 113 G 3.9119 7.7716 109.0085 44.4890 0.0000 171.1338 114 T 4.9559 7.8061 116.7832 62.3997 69.8926 174.4896 115 H 5.0335 9.4130 123.0591 54.0690 32.8980 172.5640 116 Q 5.0704 8.5999 120.2972 54.7460 30.7523 174.6318 117 V 4.8446 9.1790 124.1750 61.0292 34.5799 174.0482 118 R 4.9150 8.4830 126.8680 54.3988 32.6899 174.1418 119 L 4.8241 8.9662 126.5334 53.4070 43.8961 174.8353 120 H 5.4061 9.2714 124.1804 54.2175 33.1962 173.2984 121 G 4.1688 9.1856 113.1660 46.1992 0.0000 173.4013 122 A 4.4742 9.0541 128.2019 51.6959 20.2084 177.3455 123 G 3.9332 7.3636 102.7277 44.5969 0.0000 173.5626 124 S 4.3639 8.4048 112.4089 59.8383 63.7773 174.4475 125 N 4.5329 7.8913 119.7176 53.0606 39.4614 174.0637 126 N 4.0301 8.9237 122.0954 55.7356 39.6787 174.5775 127 W 4.1084 8.8659 117.5233 55.4397 30.5988 174.9124 128 Q 4.5718 8.8866 121.6272 55.1416 29.8793 175.1968 129 W 5.1153 7.2129 116.6901 56.4914 31.1541 173.1669 130 N 5.7022 9.7555 118.4794 51.8282 41.8755 173.6760 131 L 4.9199 8.9325 122.3939 54.1723 45.4069 176.1583 132 D 4.1122 9.1966 127.2900 56.1612 42.3114 175.7363 133 K 4.8915 7.6593 115.0367 56.6216 35.7400 173.2601 134 F 5.4264 8.5702 114.3339 55.9490 41.6714 173.5188 135 T 4.8144 9.2465 116.3988 61.8017 72.8580 172.7350 136 L 5.2422 8.4126 124.5605 53.2166 44.5999 175.5731 137 S 5.1848 9.1944 118.8898 56.7203 67.3536 173.7489 138 N 4.4358 8.7143 121.4023 53.6159 38.3706 174.0108 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 T 8.17 4.43 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 1.20 0.00 0.00 3 A 8.39 4.14 1.48 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 0.00 0.00 4 S 8.88 5.29 0.00 3.86 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 *6 A 8.33 4.11 1.15 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 7 V 8.01 4.11 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 0.70 0.00 0.00 0.53 0.00 0.00 8 E 8.67 4.39 0.00 1.93 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 0.00 2.34 2.23 0.00 9 A 9.05 4.40 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 10 E 8.32 4.42 0.00 2.13 2.20 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 2.29 2.28 0.00 11 N 8.11 4.73 0.00 2.97 2.89 0.00 0.00 6.96 6.96 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 12 F 7.79 4.06 0.00 2.97 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 13 N 9.01 4.70 0.00 2.67 2.99 0.00 0.00 6.69 6.91 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 14 A 7.84 4.87 1.29 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 0.00 0.00 0.00 15 V 7.98 4.20 1.47 0.00 0.00 0.00 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 0.53 0.00 0.00 16 G 6.61 3.48 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 0.00 0.00 0.00 17 G 8.47 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.89 4.25 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 F 8.03 3.89 0.00 2.82 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 20 S 7.86 4.27 0.00 3.60 3.67 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 21 D 8.65 4.89 0.00 3.03 2.90 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 22 G 8.08 3.84 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 0.00 0.00 0.00 23 Q 7.92 4.28 0.00 2.11 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.90 0.00 0.00 0.00 0.00 0.00 1.74 1.50 0.00 24 A 8.46 4.08 1.24 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 25 Q 7.53 4.70 0.00 2.09 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.88 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 26 P 0.00 4.18 0.00 2.03 2.04 0.00 3.55 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.81 0.00 27 V 6.92 4.58 1.65 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 0.63 0.00 0.00 0.65 0.00 0.00 28 S 9.11 4.98 0.00 4.12 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.44 5.25 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 1.00 0.00 0.00 1.22 0.00 0.00 30 Y 9.38 5.15 0.00 3.16 3.01 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 31 T 8.45 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 32 V 8.38 4.37 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 0.63 0.00 0.00 1.04 0.00 0.00 33 N 9.65 4.28 0.00 2.95 2.98 0.00 0.00 7.06 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 34 G 8.36 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 35 N 8.10 4.81 0.00 3.04 2.85 0.00 0.00 6.93 6.75 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 36 T 8.21 4.73 4.44 0.00 0.00 0.00 0.00 0.00 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 37 A 8.74 4.87 1.11 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 0.00 0.00 0.00 0.00 0.00 38 I 9.08 5.08 2.04 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.95 1.31 0.00 0.00 39 N 8.82 5.50 0.00 2.31 2.71 0.00 0.00 6.96 8.41 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 40 Y 7.83 3.53 0.00 3.11 3.23 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 0.00 41 V 7.39 3.71 1.62 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 -0.29 0.00 0.00 0.68 0.00 0.00 42 N 8.65 4.50 0.00 2.19 1.42 0.00 0.00 6.22 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 43 Q 7.43 4.05 0.00 2.05 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.54 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 44 G 9.07 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 45 D 7.64 4.89 0.00 2.41 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 0.00 0.00 0.00 46 Y 7.89 5.36 0.00 3.01 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 47 A 9.03 4.88 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 48 D 8.98 5.43 0.00 2.62 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 49 Y 9.35 5.21 0.00 3.10 3.05 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 50 T 8.78 5.10 4.33 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 1.32 0.00 0.00 51 I 9.01 4.76 1.96 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.84 0.88 0.00 0.00 52 A 8.68 5.05 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 53 V 8.82 4.14 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 0.92 0.00 0.00 0.76 0.00 0.00 54 A 8.90 3.97 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 55 Q 7.85 4.73 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.85 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 56 A 9.04 4.21 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 57 G 7.62 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 0.00 0.00 0.00 58 N 8.41 5.28 0.00 2.81 2.67 0.00 0.00 6.73 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 59 Y 8.83 4.71 0.00 2.96 2.81 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 60 T 9.16 4.46 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 1.15 0.00 0.00 61 I 8.63 4.67 1.35 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.41 0.13 0.00 0.00 62 S 8.80 4.94 0.00 3.78 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.15 5.18 0.00 2.82 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 64 Q 9.17 5.26 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.69 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 65 A 9.07 5.45 1.20 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 0.00 0.00 66 G 9.53 4.62 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 0.00 0.00 0.00 67 S 8.32 4.40 0.00 3.74 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 68 G 5.38 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 0.00 0.00 0.00 69 V 6.74 4.42 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 0.88 0.00 0.00 1.03 0.00 0.00 70 T 8.13 4.16 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 1.21 0.00 0.00 71 G 9.10 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 72 G 8.04 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.75 5.19 0.00 3.79 3.72 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 74 I 8.56 4.58 0.98 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 -0.30 -0.36 0.19 0.00 0.00 75 E 9.12 4.94 0.00 2.12 2.04 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 2.31 2.33 0.00 76 F 9.18 4.80 0.00 3.34 2.90 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 *78 V 8.03 4.54 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 1.01 0.00 0.00 1.23 0.00 0.00 79 N 8.92 4.22 0.00 1.44 2.15 0.00 0.00 7.02 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 80 E 8.97 4.38 0.00 1.96 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 2.25 2.43 0.00 81 N 9.87 4.01 0.00 2.77 2.79 0.00 0.00 7.41 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 82 G 8.62 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 83 S 7.53 4.46 0.00 3.71 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 84 W 8.78 4.68 0.00 3.22 3.09 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 85 A 9.00 4.75 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 86 S 8.93 4.22 0.00 4.03 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 87 K 9.63 4.74 0.00 1.98 1.91 0.00 1.84 0.00 0.00 1.89 0.00 0.00 3.11 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.80 1.79 7.81 88 T 7.89 4.85 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 89 V 8.39 4.85 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 0.88 0.00 0.00 0.99 0.00 0.00 90 T 8.94 4.71 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 1.34 0.00 0.00 91 A 8.75 4.52 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 92 V 8.26 4.21 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 0.87 0.00 0.00 0.72 0.00 0.00 93 P 0.00 4.24 0.00 2.09 1.94 0.00 3.63 0.00 0.00 3.86 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 94 N 8.69 4.75 0.00 2.92 2.62 0.00 0.00 6.90 6.69 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 95 Q 8.32 4.57 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.50 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 96 G 7.98 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 0.00 0.00 0.00 97 W 8.68 4.37 0.00 3.24 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 98 D 8.00 4.47 0.00 2.61 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 N 7.22 4.57 0.00 2.64 2.87 0.00 0.00 7.15 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 0.00 100 F 7.59 4.81 0.00 3.09 3.01 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 0.00 101 Q 9.41 4.88 0.00 1.95 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.99 0.00 0.00 0.00 0.00 0.00 2.48 2.62 0.00 102 P 0.00 4.87 0.00 2.10 2.10 0.00 3.75 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 103 L 8.91 4.70 0.00 1.82 1.80 0.98 0.24 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 0.00 104 N 9.14 4.59 0.00 2.77 2.74 0.00 0.00 7.11 7.98 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 0.00 105 G 8.88 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 0.00 0.00 0.00 0.00 106 G 9.10 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 0.00 107 S 8.23 5.23 0.00 3.98 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 0.00 108 V 8.60 4.49 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 0.60 0.00 0.00 1.06 0.00 0.00 109 Y 8.84 4.81 0.00 3.08 2.99 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 0.00 0.00 0.00 110 L 8.12 4.85 0.00 1.45 1.25 0.77 0.57 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 0.00 111 S 8.83 4.70 0.00 3.97 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 0.00 112 A 8.50 4.21 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 G 7.77 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 0.00 114 T 7.81 4.96 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 1.22 0.00 0.00 115 H 9.41 5.03 0.00 3.10 3.22 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 8.60 5.07 0.00 1.88 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.86 0.00 0.00 0.00 0.00 0.00 2.34 2.28 0.00 117 V 9.18 4.84 2.27 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 0.30 0.00 0.00 1.06 0.00 0.00 118 R 8.48 4.92 0.00 0.67 0.70 0.00 2.21 0.00 0.00 2.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.38 0.00 119 L 8.97 4.82 0.00 1.84 1.58 0.42 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 120 H 9.27 5.41 0.00 3.11 3.12 0.00 5.77 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 0.00 121 G 9.19 4.17 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 0.00 0.00 0.00 122 A 9.05 4.47 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 0.00 0.00 0.00 0.00 0.00 0.00 123 G 7.36 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 0.00 124 S 8.40 4.36 0.00 4.00 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 0.00 125 N 7.89 4.53 0.00 2.91 3.06 0.00 0.00 7.18 7.95 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 0.00 126 N 8.92 4.03 0.00 2.67 2.30 0.00 0.00 6.99 7.68 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 0.00 127 W 8.87 4.11 0.00 3.43 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.89 4.57 0.00 1.45 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.70 0.00 0.00 0.00 0.00 0.00 1.98 2.17 0.00 129 W 7.21 5.12 0.00 3.50 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 0.00 130 N 9.76 5.70 0.00 3.47 3.50 0.00 0.00 6.72 6.66 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 0.00 131 L 8.93 4.92 0.00 2.06 1.80 1.07 1.19 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 0.00 132 D 9.20 4.11 0.00 1.58 2.37 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 0.00 133 K 7.66 4.89 0.00 1.89 1.98 0.00 1.48 0.00 0.00 1.82 0.00 0.00 2.84 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.30 1.36 7.81 134 F 8.57 5.43 0.00 3.17 3.23 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 0.00 135 T 9.25 4.81 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 0.00 136 L 8.41 5.24 0.00 1.47 1.50 0.93 0.66 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 0.00 137 S 9.19 5.18 0.00 3.72 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 0.00 138 N 8.71 4.44 0.00 1.44 2.37 0.00 0.00 7.03 7.71 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 * Residues marked with a * may have inaccurate shift predictions.