NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.4897 0.0000 0.0000 61.7414 33.7720 175.4414 3 S 4.5803 7.8141 112.6697 57.1131 65.2353 172.5092 4 I 4.7383 9.9465 128.1336 59.8756 42.6026 173.5239 5 K 5.0149 8.7026 125.0483 55.2692 34.2543 175.4509 6 L 5.0917 9.6153 124.5360 52.9069 45.7882 175.1628 7 Q 5.1871 8.7556 124.5621 54.2925 31.1591 175.4500 8 S 4.7708 8.9429 122.2298 57.5661 64.6366 175.1903 9 S 4.2957 9.1985 115.6300 60.3280 63.0702 175.0927 10 D 4.7524 7.3766 117.0004 52.8655 39.5944 176.8765 11 G 4.3816 8.3629 112.9894 46.9165 0.0000 174.3645 12 E 4.0477 7.9147 118.2296 56.9864 30.5779 176.4138 13 I 5.1701 8.2447 122.8959 59.7291 39.8514 175.0069 14 F 4.7976 9.7271 124.1390 55.6966 42.8477 173.6362 15 E 5.2888 8.9104 121.8221 54.8244 31.6846 175.7654 16 V 4.6511 8.8590 116.6209 59.6543 36.9892 174.3741 17 D 4.8004 8.6756 122.9216 54.1725 41.2579 177.9296 18 V 3.6720 8.4015 122.8097 65.1478 31.8526 176.9002 19 E 4.1054 8.1402 119.7347 59.6185 29.4978 177.6526 20 I 3.8549 7.7104 111.6713 63.3836 38.4685 176.0217 21 A 4.3350 7.8526 124.7163 51.8237 18.1833 177.4908 22 K 4.5475 7.6526 121.1183 56.9414 35.1164 177.9012 23 Q 3.8856 7.8860 116.8658 58.4902 28.8560 175.6674 24 S 4.6330 7.4347 110.9069 56.7859 61.2639 174.2563 25 V 3.6237 8.2604 128.8156 65.6321 31.8867 178.6005 26 T 3.9219 7.8028 110.5435 63.7879 69.1255 175.8563 27 I 4.1774 7.1711 113.6902 60.7625 38.6778 177.5425 28 K 3.9775 8.4337 124.1609 59.5714 32.1181 178.0688 29 T 4.4698 7.5996 105.2006 62.2461 68.7371 174.4730 30 M 4.5499 7.5086 120.8740 55.5509 32.0167 177.2206 31 L 4.0869 7.3615 120.7335 57.7287 42.8319 177.4489 32 E 4.1201 7.8423 115.5184 56.3330 30.4350 174.1394 33 D 4.2732 8.9372 120.7094 55.1274 37.2263 170.2933 34 L 3.4101 8.2931 121.7036 55.9896 39.9450 175.8621 35 G 3.9371 8.2002 113.4342 43.7516 0.0000 171.4230 *43 D 4.4135 7.7536 118.0557 53.7590 42.8970 173.5814 44 P 4.8593 0.0000 0.0000 61.4141 33.5529 175.4328 45 V 4.3410 8.1235 120.3817 59.8800 32.8308 173.8272 46 P 4.7729 0.0000 0.0000 62.6548 32.4736 176.5381 47 L 4.8937 9.3061 124.7771 51.8086 41.7432 175.2406 48 P 4.3766 0.0000 0.0000 65.0110 31.6336 177.8249 49 N 4.5162 8.0718 113.6215 52.9280 39.3366 174.8087 50 V 4.3953 7.4514 112.0931 59.0735 34.1010 175.6363 51 N 4.9382 8.4992 122.3505 52.0336 39.8543 176.1241 52 A 4.0336 8.6417 121.7569 55.2929 18.4378 179.4729 53 A 4.0460 8.1717 118.8611 55.5946 18.3504 179.7265 54 I 3.9069 7.6257 117.3503 64.1492 37.5721 178.0828 55 L 3.8518 7.8430 121.1477 57.9898 41.6256 178.5402 56 K 3.8903 7.9923 119.8701 59.3650 32.2360 178.7238 57 K 4.1515 8.0554 117.4822 59.4585 32.1666 179.7190 58 V 3.6980 7.8970 118.9334 66.0195 31.5314 178.1335 59 I 3.8066 7.8095 112.9929 63.8996 37.1375 177.6833 60 Q 4.1081 8.2859 122.2645 58.2263 29.0697 178.1117 61 W 4.1234 8.2471 129.0730 60.7204 30.5591 177.7480 62 C 4.4820 8.5927 117.9860 62.0387 27.6532 175.4434 63 T 4.0731 8.4191 110.5560 63.3181 68.4926 175.4976 64 H 4.0959 7.3357 120.3685 56.8469 28.7054 174.5765 65 H 4.8215 7.1207 118.3366 54.9495 29.5197 176.1194 66 K 3.9729 8.2020 120.8438 59.1254 32.4673 177.1817 67 D 4.3029 7.2890 114.8636 51.8254 41.5063 179.9394 68 D 3.9772 8.2818 126.7382 55.6121 41.9885 173.4650 *83 D 4.6663 8.0314 117.5304 55.5014 41.3703 177.9281 84 D 4.4596 8.8929 115.5289 53.2323 41.4615 173.0310 85 I 3.1887 7.7956 118.4090 59.7068 37.2178 171.9583 86 P 4.3208 0.0000 0.0000 62.7469 32.9791 177.3790 87 V 3.6748 8.4877 119.8689 65.6845 31.5649 178.4292 88 W 4.1337 8.2593 127.7853 60.7192 30.7056 177.3503 89 D 4.7295 8.6670 118.3640 57.7522 40.0103 178.9556 90 Q 4.0122 7.6989 117.4527 59.1693 29.2044 178.4589 91 E 4.0382 7.8359 119.3116 59.1653 29.2232 179.1078 92 F 3.9719 8.0583 120.3076 60.7566 39.3323 176.1654 93 L 4.1363 7.7204 116.3348 54.1823 41.8000 177.5771 94 K 4.2227 7.4185 118.5034 56.6187 31.5564 177.7554 95 V 3.9853 7.2661 112.0365 59.9579 33.1785 176.1662 96 D 4.5970 8.1141 121.1540 52.9772 41.4802 177.0755 97 Q 4.0368 8.5284 120.2991 59.3737 29.0543 178.2252 98 G 3.7626 8.1729 106.4905 48.1952 0.0000 175.3826 99 T 4.0846 8.1717 111.6270 64.0594 68.9113 176.8840 100 L 3.8692 7.7041 121.6369 57.7003 41.8379 178.9368 101 F 4.1069 8.0932 119.9141 61.7121 39.2253 176.9634 102 E 3.9599 8.3626 117.8679 59.4595 29.1366 179.5253 103 L 3.9345 8.3036 119.5663 57.7030 41.6561 179.5999 104 I 3.6229 7.9114 113.2589 63.6957 37.3720 178.4403 105 L 3.7698 7.5834 120.3144 57.3592 41.3461 179.0382 106 A 4.1240 8.0710 120.5815 55.3051 18.3767 179.3810 107 A 3.7049 8.1231 119.4647 55.3844 18.1348 179.4633 108 N 4.2107 8.0791 114.5129 56.7724 39.1393 176.1332 109 Y 4.4835 8.4371 120.6313 60.9056 39.1011 177.7984 110 L 4.1436 8.7561 120.4881 53.6006 42.0787 176.3306 111 D 4.2249 7.9747 118.0572 55.4751 40.0908 173.8375 112 I 4.5912 7.2451 118.9707 58.0562 36.2933 176.1600 113 K 3.9259 8.4717 125.7045 59.6458 32.2651 177.7175 114 G 3.8051 8.0868 105.2048 47.7960 0.0000 175.3671 115 L 2.9965 7.3534 122.8870 57.0851 41.8124 178.8941 116 L 3.8007 7.5129 119.8382 58.1187 42.1183 178.2467 117 D 4.3514 7.9930 118.8146 57.6813 40.9422 179.2738 118 V 3.6368 7.6780 118.1469 66.1743 31.3920 177.9111 119 T 3.9524 8.0109 112.9227 64.9676 67.1596 176.3975 120 C 4.1230 8.4098 119.2968 62.5224 28.0907 175.5754 121 K 3.8701 8.3255 121.5916 60.1936 31.4387 178.8566 122 T 3.8929 7.5493 114.4744 66.4996 68.6497 176.6892 123 V 3.8416 7.7111 120.1858 65.7415 31.5193 177.6650 124 A 4.0122 8.3977 121.0598 55.6511 18.0112 179.4469 125 N 4.3029 8.2452 113.0899 56.5166 38.5836 177.1772 126 M 4.2849 7.9977 119.5397 57.8505 32.3584 178.0508 127 I 4.3402 7.7798 119.3588 62.1514 37.5769 175.5979 128 K 4.0577 7.7801 118.8351 57.5990 31.6304 176.8638 129 G 3.9344 8.9032 111.6790 45.6019 0.0000 173.3532 130 K 4.4836 7.8745 119.1106 55.7693 33.2289 177.4477 131 T 4.2938 8.8700 112.2219 60.5718 71.0585 173.9315 132 P 4.2625 0.0000 0.0000 66.1276 31.5240 178.3000 133 E 3.9558 8.2542 117.1552 59.5853 29.4916 178.6532 134 E 4.0339 8.1626 118.7263 59.2850 29.3914 179.3356 135 I 4.0239 8.0813 113.2690 63.8956 37.8162 178.4921 136 R 4.0095 8.3069 120.0616 58.8475 29.6009 178.9072 137 K 3.9182 8.0132 119.2788 59.7968 32.1422 178.9950 138 T 3.8401 7.6982 107.7545 63.3284 68.7498 174.7956 139 F 4.6890 7.4477 118.4760 56.1421 40.3874 174.4429 140 N 4.1082 7.5973 118.3091 54.4518 37.5905 173.6595 141 I 4.3559 7.6073 116.5971 59.1038 39.9572 174.8168 142 K 4.1470 8.2994 128.0596 55.8076 32.7603 176.7688 143 N 4.6677 8.4514 123.1920 53.1906 37.2475 174.1803 144 D 4.3589 8.2349 125.0902 56.5615 41.3068 177.7312 145 F 4.4122 7.8891 117.7968 57.5735 39.3957 175.1776 146 T 4.4243 8.6423 113.4266 61.5509 70.2644 173.5103 147 E 4.7796 7.8579 118.2906 53.2920 32.5723 174.8699 148 E 3.9752 8.5154 117.0671 56.5368 29.7870 177.5242 149 E 3.9129 8.3538 123.3041 55.4297 28.0073 174.2322 150 E 4.1546 8.1256 121.4463 55.0411 30.3899 176.7033 151 A 4.2345 8.3848 127.2080 51.7490 19.4774 176.1462 152 Q 4.6182 8.4019 120.0390 53.9706 31.0206 175.4408 153 V 4.2932 8.0036 121.4871 61.9326 33.8441 176.4955 154 R 3.6798 9.6064 120.1570 56.8998 29.8948 175.9114 155 K 4.0148 8.1204 123.3356 56.0228 34.3343 174.4310 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 P 0.00 4.49 0.00 1.95 2.14 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.09 0.00 3 S 7.81 4.58 0.00 3.92 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 4 I 9.95 4.74 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 1.24 0.82 0.93 0.00 0.00 5 K 8.70 5.01 0.00 1.74 1.75 0.00 1.62 0.00 0.00 1.83 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.59 1.48 7.81 6 L 9.62 5.09 0.00 1.80 1.59 0.94 0.64 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 7 Q 8.76 5.19 0.00 2.17 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 8 S 8.94 4.77 0.00 4.13 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 9 S 9.20 4.30 0.00 3.90 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 0.00 10 D 7.38 4.75 0.00 2.91 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 11 G 8.36 4.38 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 0.00 12 E 7.91 4.05 0.00 2.14 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 2.44 0.00 13 I 8.24 5.17 1.85 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.85 1.02 0.00 0.00 14 F 9.73 4.80 0.00 2.87 2.95 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 15 E 8.91 5.29 0.00 1.84 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 2.31 0.00 16 V 8.86 4.65 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 0.74 0.00 0.00 0.98 0.00 0.00 17 D 8.68 4.80 0.00 2.78 2.58 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 18 V 8.40 3.67 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 0.76 0.00 0.00 0.96 0.00 0.00 19 E 8.14 4.11 0.00 1.94 1.93 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 2.27 2.33 0.00 20 I 7.71 3.85 2.00 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 1.36 0.94 0.91 0.00 0.00 21 A 7.85 4.34 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 22 K 7.65 4.55 0.00 2.01 1.87 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.43 7.81 23 Q 7.89 3.89 0.00 2.30 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.77 0.00 0.00 0.00 0.00 0.00 2.45 2.34 0.00 24 S 7.43 4.63 0.00 3.90 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 25 V 8.26 3.62 2.22 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 0.91 0.00 0.00 1.01 0.00 0.00 26 T 7.80 3.92 4.13 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 1.26 0.00 0.00 27 I 7.17 4.18 1.82 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 1.10 0.64 0.78 0.00 0.00 28 K 8.43 3.98 0.00 2.00 1.96 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.43 1.69 7.81 29 T 7.60 4.47 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 1.22 0.00 0.00 30 M 7.51 4.55 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.47 0.00 31 L 7.36 4.09 0.00 1.63 1.66 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 32 E 7.84 4.12 0.00 2.15 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 2.36 2.27 0.00 33 D 8.94 4.27 0.00 2.84 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 34 L 8.29 3.41 0.00 1.88 1.76 0.93 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.20 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 *43 D 7.75 4.41 0.00 2.68 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 44 P 0.00 4.86 0.00 2.02 1.97 0.00 3.74 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 45 V 8.12 4.34 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 0.79 0.00 0.00 0.93 0.00 0.00 46 P 0.00 4.77 0.00 2.14 2.13 0.00 3.72 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 47 L 9.31 4.89 0.00 1.72 1.77 0.86 0.85 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 48 P 0.00 4.38 0.00 2.16 2.22 0.00 4.00 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 49 N 8.07 4.52 0.00 1.44 2.30 0.00 0.00 6.73 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 50 V 7.45 4.40 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 0.82 0.00 0.00 1.14 0.00 0.00 51 N 8.50 4.94 0.00 3.14 3.00 0.00 0.00 6.16 7.50 0.00 0.00 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 A 8.64 4.03 1.57 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 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.17 4.05 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 54 I 7.63 3.91 1.87 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 1.68 1.18 0.91 0.00 0.00 55 L 7.84 3.85 0.00 1.71 1.34 0.77 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 56 K 7.99 3.89 0.00 2.23 1.99 0.00 1.86 0.00 0.00 1.80 0.00 0.00 3.09 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.68 1.83 7.81 57 K 8.06 4.15 0.00 1.99 2.07 0.00 1.76 0.00 0.00 1.51 0.00 0.00 2.80 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.78 1.72 7.81 58 V 7.90 3.70 2.22 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 1.06 0.00 0.00 1.03 0.00 0.00 59 I 7.81 3.81 1.92 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.37 0.93 0.00 0.00 60 Q 8.29 4.11 0.00 2.27 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 7.00 0.00 0.00 0.00 0.00 0.00 2.60 2.43 0.00 61 W 8.25 4.12 0.00 3.29 3.34 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 62 C 8.59 4.48 0.00 3.31 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 63 T 8.42 4.07 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 1.26 0.00 0.00 64 H 7.34 4.10 0.00 2.14 2.65 0.00 5.88 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 H 7.12 4.82 0.00 2.41 2.82 0.00 5.69 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 8.20 3.97 0.00 1.62 1.82 0.00 1.60 0.00 0.00 1.51 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.39 7.81 67 D 7.29 4.30 0.00 2.58 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 68 D 8.28 3.98 0.00 2.69 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 *83 D 8.03 4.67 0.00 2.69 2.31 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 84 D 8.89 4.46 0.00 2.74 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 85 I 7.80 3.19 1.97 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 1.47 0.48 0.98 0.00 0.00 86 P 0.00 4.32 0.00 2.52 2.17 0.00 3.75 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 2.28 2.27 0.00 87 V 8.49 3.67 2.18 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 1.09 0.00 0.00 0.99 0.00 0.00 88 W 8.26 4.13 0.00 3.43 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 89 D 8.67 4.73 0.00 3.13 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 90 Q 7.70 4.01 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.98 0.00 0.00 0.00 0.00 0.00 2.45 2.71 0.00 91 E 7.84 4.04 0.00 2.04 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 2.31 2.32 0.00 92 F 8.06 3.97 0.00 1.51 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 93 L 7.72 4.14 0.00 1.62 1.55 0.96 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 94 K 7.42 4.22 0.00 1.89 1.77 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.58 7.81 95 V 7.27 3.99 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 0.53 0.00 0.00 0.85 0.00 0.00 96 D 8.11 4.60 0.00 2.91 2.78 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 97 Q 8.53 4.04 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.89 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 98 G 8.17 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 99 T 8.17 4.08 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 1.25 0.00 0.00 100 L 7.70 3.87 0.00 1.92 1.82 0.93 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 101 F 8.09 4.11 0.00 3.14 3.27 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 0.00 102 E 8.36 3.96 0.00 2.26 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 2.65 2.57 0.00 103 L 8.30 3.93 0.00 1.76 1.61 0.73 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 104 I 7.91 3.62 1.78 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.77 0.91 0.00 0.00 105 L 7.58 3.77 0.00 1.67 1.56 -0.08 0.32 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 0.00 106 A 8.07 4.12 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 0.00 107 A 8.12 3.70 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 0.00 108 N 8.08 4.21 0.00 2.72 2.94 0.00 0.00 7.19 7.13 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 0.00 109 Y 8.44 4.48 0.00 2.85 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 0.00 110 L 8.76 4.14 0.00 1.60 1.55 0.85 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 111 D 7.97 4.22 0.00 2.85 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 0.00 112 I 7.25 4.59 1.69 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 1.28 1.16 1.07 0.00 0.00 113 K 8.47 3.93 0.00 1.82 1.88 0.00 1.73 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.56 7.81 114 G 8.09 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 0.00 0.00 0.00 115 L 7.35 3.00 0.00 0.89 1.22 0.67 -0.14 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 0.00 116 L 7.51 3.80 0.00 1.69 1.71 0.86 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 117 D 7.99 4.35 0.00 2.85 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 0.00 118 V 7.68 3.64 2.30 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 1.17 0.00 0.00 1.16 0.00 0.00 119 T 8.01 3.95 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 1.18 0.00 0.00 120 C 8.41 4.12 0.00 3.01 2.94 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 0.00 121 K 8.33 3.87 0.00 2.16 1.96 0.00 1.55 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.58 7.81 122 T 7.55 3.89 4.42 0.00 0.00 0.00 0.00 0.00 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 0.00 123 V 7.71 3.84 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 1.02 0.00 0.00 1.02 0.00 0.00 124 A 8.40 4.01 1.39 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 0.00 0.00 125 N 8.25 4.30 0.00 2.89 2.94 0.00 0.00 7.16 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 0.00 126 M 8.00 4.28 0.00 2.10 2.66 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.98 2.61 0.00 127 I 7.78 4.34 2.00 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 1.70 1.01 0.95 0.00 0.00 128 K 7.78 4.06 0.00 1.95 1.83 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.61 7.81 129 G 8.90 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 0.00 130 K 7.87 4.48 0.00 1.92 1.86 0.00 1.86 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.77 1.67 7.81 131 T 8.87 4.29 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 0.00 132 P 0.00 4.26 0.00 2.19 2.21 0.00 3.61 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 133 E 8.25 3.96 0.00 2.04 1.97 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 2.39 2.43 0.00 134 E 8.16 4.03 0.00 2.35 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 2.33 2.32 0.00 135 I 8.08 4.02 2.06 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.24 1.09 0.00 0.00 136 R 8.31 4.01 0.00 2.08 2.21 0.00 3.31 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.88 0.00 137 K 8.01 3.92 0.00 1.82 2.03 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.57 7.81 138 T 7.70 3.84 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 1.14 0.00 0.00 139 F 7.45 4.69 0.00 3.15 3.04 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 0.00 0.00 0.00 140 N 7.60 4.11 0.00 2.73 2.79 0.00 0.00 6.94 7.69 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 0.00 141 I 7.61 4.36 1.89 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 1.19 0.89 1.00 0.00 0.00 142 K 8.30 4.15 0.00 1.74 1.66 0.00 1.81 0.00 0.00 1.60 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.41 7.81 143 N 8.45 4.67 0.00 2.79 2.82 0.00 0.00 7.06 8.47 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 0.00 144 D 8.23 4.36 0.00 2.23 2.16 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 0.00 145 F 7.89 4.41 0.00 3.00 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 0.00 146 T 8.64 4.42 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 0.00 147 E 7.86 4.78 0.00 2.07 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 2.23 2.29 0.00 148 E 8.52 3.98 0.00 2.07 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 2.27 2.31 0.00 149 E 8.35 3.91 0.00 1.77 1.56 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 1.47 2.07 0.00 150 E 8.13 4.15 0.00 1.91 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 2.36 2.22 0.00 151 A 8.38 4.23 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 0.00 152 Q 8.40 4.62 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.62 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 153 V 8.00 4.29 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 1.06 0.00 0.00 0.92 0.00 0.00 154 R 9.61 3.68 0.00 2.08 2.08 0.00 3.08 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 155 K 8.12 4.01 0.00 1.76 1.97 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.15 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.25 1.20 7.81 * Residues marked with a * may have inaccurate shift predictions.