NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 36 S 4.4164 8.3349 115.2997 57.7996 64.3109 174.2944 37 Y 4.6659 8.4594 115.9219 57.4291 40.2047 176.5709 38 S 4.1651 9.1169 118.0525 62.0067 63.7673 175.7423 39 I 3.4972 7.7859 121.7454 64.7019 36.7050 177.6302 40 Y 4.2138 7.0501 116.4917 61.4218 38.0010 179.2349 41 V 3.8459 8.4048 120.0919 65.0818 31.2558 177.7999 42 Y 3.8598 8.2343 120.1111 60.4338 38.5447 177.5977 43 K 4.0417 8.4564 119.8431 59.7288 32.2728 179.4854 44 V 3.6430 8.5959 118.7362 65.5646 31.3329 177.7880 45 L 3.8389 7.9445 120.5103 58.0562 41.7339 179.0553 46 K 3.7297 7.7045 117.2155 60.2166 32.3862 178.4167 47 Q 4.0885 7.6790 120.0543 58.2518 28.9693 177.8004 48 V 4.3464 7.3465 118.4305 62.5508 33.0697 175.8833 49 H 4.7420 8.9950 118.6036 53.2484 29.8140 171.8913 50 P 4.5554 0.0000 0.0000 62.0459 31.0501 177.3463 51 D 4.5671 7.8795 114.0413 54.0717 43.2147 174.7003 52 T 4.3806 7.6004 118.1821 61.8630 69.6156 174.8647 53 G 3.9642 8.3806 116.0506 44.4945 0.0000 171.9186 54 I 4.5906 7.7986 117.9813 58.0393 41.0760 175.4239 55 S 4.4581 8.4599 121.8633 58.1333 65.1729 175.5832 56 S 4.1501 8.5168 118.9337 61.7470 62.5493 176.9350 57 K 3.9788 8.0490 121.6615 59.3898 32.0107 178.5906 58 A 4.0845 7.9656 121.0382 55.1636 18.3050 179.5409 59 M 4.1839 8.5982 120.3927 58.9633 31.9549 179.6851 *60 S 4.1508 8.1184 119.0249 63.3650 62.3898 179.4092 61 I 3.9127 7.5235 123.5445 64.6210 36.8430 178.2805 62 M 4.0695 8.0325 119.2982 58.7772 31.8145 178.6818 63 N 4.4064 8.4380 116.3921 56.4169 38.6092 177.6779 64 S 4.1642 8.1471 116.6828 61.3835 62.8883 176.4751 65 F 4.0457 8.5483 123.6480 61.2681 39.0557 177.3122 66 V 3.2524 8.0066 117.9226 66.0835 31.1715 177.7842 67 N 4.2455 7.9994 116.1587 56.5005 38.2303 176.3107 68 D 4.3009 8.3364 120.0643 57.4985 41.2925 178.2469 69 I 3.5719 7.6181 113.6031 63.0677 37.4540 178.1342 70 F 3.8448 7.7680 123.4221 61.3957 39.3512 176.7229 71 E 4.0945 8.5966 118.4210 59.5543 29.2752 179.7366 72 R 3.8201 8.1591 118.0607 59.4076 30.1179 179.2522 73 I 3.5733 7.6601 119.2841 64.3066 37.0603 178.4829 74 A 3.8442 7.9955 121.9115 54.4762 18.0663 180.0811 75 G 3.4153 7.7384 104.5674 48.0776 0.0000 175.9353 76 E 3.8557 8.0010 121.4899 58.6833 29.4598 179.0767 77 A 3.8480 8.0044 121.0660 55.4555 18.5376 179.6774 78 S 3.8492 8.0007 111.3972 61.2695 62.3612 176.3790 79 R 3.4343 7.6879 121.4135 59.2200 29.8582 178.4506 80 L 3.7979 8.1377 118.8254 57.6692 41.4778 179.4906 81 A 3.9772 7.7498 120.6978 55.3991 18.3253 179.4629 82 H 4.2509 7.8091 114.3437 59.2007 28.5396 177.5236 83 Y 4.4926 7.6418 117.6180 60.8384 37.7372 177.6640 84 N 4.8129 7.8154 114.5212 53.0846 40.4920 175.7054 85 K 3.9497 7.6172 117.4184 57.9031 30.2165 175.0775 86 R 4.6702 8.1589 118.3834 54.5145 32.5022 177.2340 87 S 4.4637 8.6222 115.6541 59.0232 63.9130 173.8085 88 T 4.4754 7.5035 115.2709 60.2388 69.6820 173.3911 89 I 4.0290 8.1419 129.0856 60.4926 36.5859 175.9010 90 T 4.3412 8.5865 123.5527 62.3629 69.5826 176.5169 91 S 4.2098 8.3862 116.8936 61.2048 62.8596 176.2140 92 R 3.9808 7.9508 121.8721 58.7307 29.7349 177.7612 93 E 4.0631 7.9591 118.4885 59.0065 29.7449 178.7016 94 I 3.6282 7.4941 119.4452 64.1025 37.1571 178.1727 95 Q 3.8867 8.0665 120.4497 59.6545 29.0012 178.3566 96 T 3.8657 7.6274 116.5257 66.4470 68.3399 176.5112 97 A 3.9317 8.3005 123.1689 55.2160 18.4049 179.8775 98 V 3.4886 7.8269 116.7219 66.0929 31.3115 178.5539 99 R 3.9403 7.7762 117.1699 59.1256 29.9813 178.7301 100 L 4.1333 7.8528 117.8434 57.7551 41.7396 179.0894 101 L 4.1780 7.9741 117.7103 55.8228 42.2282 177.4764 102 L 4.4522 7.2267 117.8166 52.6337 43.0148 174.8688 103 P 4.3448 0.0000 0.0000 63.3204 30.4572 177.6011 104 G 3.4675 6.8547 102.7742 45.8730 0.0000 175.2739 105 E 4.4314 7.9637 120.3006 56.3082 30.9843 178.0439 106 L 4.0079 7.8871 119.6715 57.6392 42.1600 178.3249 107 A 4.1976 8.1119 121.0269 54.6277 18.6193 179.5376 108 K 3.8943 7.4314 113.9704 59.9409 32.0519 179.3033 109 H 4.0668 8.0882 115.3660 58.9511 28.7542 177.5156 110 A 3.8783 7.6219 121.3290 55.3775 18.0452 179.9947 111 V 3.4969 7.8299 116.5322 66.0454 31.6349 178.0129 112 S 4.0168 7.9931 112.8969 61.5498 62.1904 175.5494 113 E 4.0095 8.9840 122.4688 59.4509 29.2518 179.2187 114 G 3.5689 8.0701 105.4204 48.0951 0.0000 175.9364 115 T 3.8732 8.3868 118.8091 66.1070 68.4687 176.8778 116 K 3.9071 8.7157 120.5265 59.4502 32.2046 179.1456 117 A 3.9823 8.3268 121.1385 55.1887 18.3266 179.6791 118 V 3.5552 8.3134 117.0665 66.6572 31.6262 178.3020 119 T 3.8908 8.2343 115.6391 66.4044 67.7775 176.3797 120 K 3.8936 8.1397 121.4739 59.7337 32.0630 177.8286 121 Y 4.2548 7.7259 118.2063 61.2806 38.7151 178.2508 122 T 3.9545 8.0190 115.1969 66.5913 68.6610 176.6087 123 S 4.3165 7.8945 114.8190 60.9281 64.6803 176.4181 124 S 4.4764 8.7768 119.7803 57.6558 58.9046 174.4640 125 K 3.9884 7.6949 123.8002 56.4972 31.8864 177.3932 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 36 S 8.33 4.42 0.00 3.88 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 37 Y 8.46 4.67 0.00 3.33 3.12 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 0.00 0.00 0.00 0.00 38 S 9.12 4.17 0.00 3.88 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 39 I 7.79 3.50 0.85 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 1.43 0.68 0.40 0.00 0.00 40 Y 7.05 4.21 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 41 V 8.40 3.85 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 1.08 0.00 0.00 0.98 0.00 0.00 42 Y 8.23 3.86 0.00 3.24 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 43 K 8.46 4.04 0.00 2.08 1.94 0.00 1.78 0.00 0.00 1.56 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.70 1.58 7.81 44 V 8.60 3.64 2.26 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 1.02 0.00 0.00 1.12 0.00 0.00 45 L 7.94 3.84 0.00 1.74 1.54 0.79 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.70 3.73 0.00 1.97 1.92 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.62 1.48 7.81 47 Q 7.68 4.09 0.00 2.18 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 48 V 7.35 4.35 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 0.83 0.00 0.00 0.95 0.00 0.00 49 H 8.99 4.74 0.00 3.05 3.18 0.00 5.81 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.56 0.00 2.04 2.09 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.23 0.00 51 D 7.88 4.57 0.00 2.73 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 52 T 7.60 4.38 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 53 G 8.38 3.96 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 0.00 0.00 0.00 54 I 7.80 4.59 1.81 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 1.49 0.94 0.97 0.00 0.00 55 S 8.46 4.46 0.00 4.10 3.99 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 56 S 8.52 4.15 0.00 3.90 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 57 K 8.05 3.98 0.00 1.83 1.81 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.52 7.81 58 A 7.97 4.08 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 59 M 8.60 4.18 0.00 2.07 2.40 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.78 0.00 *60 S 8.12 4.15 0.00 3.74 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 61 I 7.52 3.91 2.07 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 1.54 0.65 0.93 0.00 0.00 62 M 8.03 4.07 0.00 2.09 2.30 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.85 0.00 63 N 8.44 4.41 0.00 3.08 2.96 0.00 0.00 7.05 7.17 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 64 S 8.15 4.16 0.00 4.13 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 65 F 8.55 4.05 0.00 3.12 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 66 V 8.01 3.25 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.90 0.00 0.00 67 N 8.00 4.25 0.00 2.79 2.82 0.00 0.00 6.70 7.56 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 68 D 8.34 4.30 0.00 2.77 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 69 I 7.62 3.57 1.64 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.25 0.25 0.00 0.00 70 F 7.77 3.84 0.00 3.06 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 71 E 8.60 4.09 0.00 2.29 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 2.48 2.69 0.00 72 R 8.16 3.82 0.00 1.91 1.90 0.00 3.07 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 73 I 7.66 3.57 1.67 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.72 0.75 0.00 0.00 74 A 8.00 3.84 0.93 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 75 G 7.74 3.42 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 0.00 0.00 0.00 0.00 76 E 8.00 3.86 0.00 1.93 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 2.28 2.43 0.00 77 A 8.00 3.85 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 78 S 8.00 3.85 0.00 3.93 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 79 R 7.69 3.43 0.00 1.88 1.73 0.00 3.30 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.34 0.00 80 L 8.14 3.80 0.00 1.78 1.64 0.87 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 81 A 7.75 3.98 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 82 H 7.81 4.25 0.00 3.14 3.36 0.00 5.65 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 7.64 4.49 0.00 3.09 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 84 N 7.82 4.81 0.00 2.81 2.85 0.00 0.00 7.33 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 85 K 7.62 3.95 0.00 1.85 1.94 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.43 7.81 86 R 8.16 4.67 0.00 1.74 1.82 0.00 3.32 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.67 0.00 87 S 8.62 4.46 0.00 3.98 3.98 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 88 T 7.50 4.48 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 89 I 8.14 4.03 1.83 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 1.33 0.63 0.84 0.00 0.00 90 T 8.59 4.34 4.39 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 1.20 0.00 0.00 91 S 8.39 4.21 0.00 4.02 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 0.00 92 R 7.95 3.98 0.00 1.89 1.95 0.00 3.16 0.00 0.00 3.33 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 93 E 7.96 4.06 0.00 2.28 1.89 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 2.24 2.33 0.00 94 I 7.49 3.63 1.93 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 1.65 0.88 0.82 0.00 0.00 95 Q 8.07 3.89 0.00 2.21 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 96 T 7.63 3.87 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 1.21 0.00 0.00 97 A 8.30 3.93 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 98 V 7.83 3.49 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 1.01 0.00 0.00 0.90 0.00 0.00 99 R 7.78 3.94 0.00 2.01 1.97 0.00 3.21 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 100 L 7.85 4.13 0.00 1.76 1.72 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 101 L 7.97 4.18 0.00 1.57 1.68 0.89 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 102 L 7.23 4.45 0.00 1.87 1.59 0.90 1.07 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 0.00 103 P 0.00 4.34 0.00 2.18 2.00 0.00 3.63 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 104 G 6.85 3.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.96 4.43 0.00 2.10 1.95 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 2.32 2.44 0.00 106 L 7.89 4.01 0.00 1.80 1.80 0.90 1.15 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 0.00 107 A 8.11 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 0.00 0.00 0.00 0.00 0.00 0.00 108 K 7.43 3.89 0.00 2.04 1.87 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.50 7.81 109 H 8.09 4.07 0.00 3.24 3.38 0.00 5.83 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 A 7.62 3.88 1.44 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 0.00 0.00 111 V 7.83 3.50 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 0.94 0.00 0.00 0.96 0.00 0.00 112 S 7.99 4.02 0.00 3.92 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 0.00 113 E 8.98 4.01 0.00 2.30 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 2.34 2.41 0.00 114 G 8.07 3.57 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 0.00 115 T 8.39 3.87 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 1.22 0.00 0.00 116 K 8.72 3.91 0.00 2.01 1.88 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.56 7.81 117 A 8.33 3.98 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.31 3.56 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 1.07 0.00 0.00 0.94 0.00 0.00 119 T 8.23 3.89 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 1.23 0.00 0.00 120 K 8.14 3.89 0.00 1.98 1.99 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.48 7.81 121 Y 7.73 4.25 0.00 3.03 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 T 8.02 3.95 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 1.23 0.00 0.00 123 S 7.89 4.32 0.00 4.03 3.99 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 0.00 124 S 8.78 4.48 0.00 3.93 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 0.00 125 K 7.69 3.99 0.00 1.68 1.64 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.61 7.81 * Residues marked with a * may have inaccurate shift predictions.