NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2549 8.1749 110.9241 61.1396 70.0772 173.6936 3 L 3.9766 8.1726 124.7410 53.9653 42.4402 175.1376 4 Y 4.3240 8.1225 119.1231 57.9621 39.6853 176.3762 5 S 4.6383 9.4482 119.6140 57.3599 65.8615 175.4992 6 K 3.8914 8.6212 122.1247 59.7867 31.7283 179.3427 7 K 3.9255 8.0333 119.1775 59.5022 32.0967 178.3902 8 D 4.3730 8.0246 119.0670 57.5454 40.7856 178.7759 9 I 3.5827 7.7858 120.1996 64.3407 37.1076 178.6101 10 V 3.5665 8.0209 119.1448 66.1316 31.3479 178.0537 11 Q 4.0030 8.0316 117.6880 59.2362 28.5787 178.9707 12 Q 3.9851 8.3547 118.9100 58.7890 28.6861 178.7039 13 A 4.0024 8.3388 122.4236 55.1309 18.3697 179.9332 14 R 3.9156 8.0214 116.6914 59.3507 29.8515 179.0353 15 N 4.3582 7.8634 115.8325 55.9821 38.5704 176.9030 16 L 4.0480 7.7520 120.7902 58.1236 42.4588 178.4939 17 A 4.1699 8.0417 120.6717 54.9895 17.9879 180.2162 18 K 4.2383 7.6063 113.1823 57.3201 32.3585 178.1882 *20 I 4.2034 7.7841 122.9535 61.4628 38.8750 177.7047 21 S 4.3905 8.1775 112.6741 59.6966 63.0822 174.1465 22 E 4.7131 7.5411 120.6883 56.4813 30.0419 176.0071 23 T 4.6656 7.4588 108.1137 59.8165 73.0079 173.7286 24 E 4.0617 8.5666 120.5256 59.3426 29.4114 179.3952 25 E 4.2442 8.1865 118.3378 59.7756 29.6064 179.5363 26 V 3.7094 7.6904 117.8040 65.7718 31.6257 177.5526 27 D 4.4007 8.3275 118.2465 57.0897 41.0474 178.0152 28 F 4.4758 8.6719 121.5289 61.3897 39.3926 176.8556 29 F 4.0967 8.1737 121.6514 60.6106 39.1417 177.2512 30 K 4.1637 8.7509 118.7207 59.5822 31.8957 179.5946 31 R 4.0719 8.1818 115.7813 58.8726 29.3203 178.7629 32 A 4.0369 8.1316 121.9647 54.9578 18.3415 179.1595 33 E 3.4892 8.3273 117.8666 59.2037 29.2861 178.8258 34 A 3.9757 7.9964 120.8334 55.3944 18.3096 179.6936 35 Q 3.7718 7.9610 116.4012 58.8069 28.5445 178.6877 36 I 3.8421 7.2610 113.0225 63.2687 37.9421 177.4303 37 N 4.4431 7.7405 116.5053 54.7359 38.5353 175.2987 38 E 4.4610 7.3232 117.8008 56.2206 31.5291 175.9827 39 N 4.4244 7.7892 118.9818 53.3746 39.6738 175.3072 40 D 4.3258 8.8379 125.8585 57.3326 41.0452 178.5869 41 K 3.9058 8.0724 119.6963 59.5811 32.1522 178.8220 42 V 3.5693 8.3734 118.7623 65.8901 31.4332 178.0234 43 S 4.0338 7.7961 112.8281 61.4910 62.2528 176.2167 44 T 3.8202 8.2429 118.8193 66.7991 68.1982 176.7187 45 I 3.7021 7.8251 121.6080 64.4282 37.1592 178.7215 46 V 3.5733 8.0201 119.2362 65.9818 31.1810 177.9212 47 N 4.3583 8.1392 116.2719 56.3193 38.4102 177.3871 48 Q 3.9912 8.1115 119.4671 58.9878 28.7547 178.9673 49 I 3.7003 7.9620 120.8608 64.2279 37.2550 178.4023 50 K 4.0164 8.0854 118.9885 59.6102 32.0426 178.9631 51 A 4.0097 8.2418 121.0246 55.4797 18.2180 179.7561 52 L 4.0056 8.1053 117.2522 57.9606 41.5384 179.7216 53 Q 4.0141 8.2573 117.9044 58.2820 28.1249 178.4678 54 K 4.0027 7.8327 120.7847 59.3846 32.2557 178.9146 55 Q 4.0131 7.9831 117.8155 58.5113 28.6238 178.2388 56 A 3.9660 8.2312 122.1678 55.3717 18.4893 179.7751 57 V 3.5821 7.5341 116.7455 66.1105 31.4908 177.8060 58 N 4.4358 7.8591 116.1237 56.8177 38.9035 176.8989 59 L 4.0927 8.5574 121.0148 57.7006 41.8254 179.7021 60 K 4.1763 8.3184 118.8250 59.8613 32.3499 178.8497 61 H 4.1143 7.9423 118.3619 59.3821 29.9641 176.1829 62 Y 4.1060 7.9396 114.6580 57.0394 38.0819 175.1197 63 E 3.6340 7.7107 118.0087 57.4383 28.1832 176.8647 64 K 4.3246 8.2791 118.0588 54.9246 29.1813 176.0618 65 H 4.1687 7.7093 121.3542 59.0951 28.8063 176.8581 66 E 3.9767 8.2981 119.2339 59.6483 29.4736 179.3361 67 A 4.0631 7.9713 120.0827 54.8920 18.4015 179.2420 68 L 3.9172 8.1495 119.2511 58.2919 42.2040 179.2063 69 K 3.9396 8.1597 118.3993 59.7160 31.9062 179.3341 70 Q 3.9922 7.7970 117.0578 58.9877 28.6681 178.8637 71 V 3.5897 7.7237 119.0098 66.0680 31.5312 177.9689 72 E 4.0201 8.7051 118.6436 59.1135 29.1981 179.1404 73 A 4.0235 8.0778 121.0490 55.0160 18.4249 179.8147 74 K 3.9163 8.2923 117.1856 59.6409 32.0220 179.6805 75 I 3.7268 7.8067 120.0880 64.4464 37.0501 178.2210 76 D 4.3305 8.2663 119.5158 57.2350 40.7172 178.6299 77 A 4.0082 8.1917 121.3488 55.3072 18.3293 179.7659 78 L 3.9719 8.0886 117.4485 57.9081 41.7824 179.7569 79 Q 3.9859 8.4186 118.3839 59.1072 28.4592 178.7405 80 E 4.0016 8.0500 118.3594 59.3057 29.8557 178.6785 81 E 4.0568 8.1587 119.3185 59.0311 29.7761 178.4900 82 L 3.9482 8.0667 120.5933 58.4315 41.9638 178.9589 83 E 4.1153 7.9199 116.2912 58.9390 29.4104 178.6979 84 E 4.2177 7.7853 117.3505 57.3760 29.9074 177.3142 85 I 3.8258 7.2530 121.3047 60.5990 37.7957 174.4746 86 P 4.2449 0.0000 0.0000 66.2794 31.2311 179.0996 87 V 3.6688 7.8077 110.0068 64.2484 31.3645 178.6982 88 I 3.8530 7.5882 119.4554 64.3302 37.1425 178.0388 89 Q 4.0548 8.4720 119.3180 59.0737 28.5132 178.8696 90 E 4.1016 8.5128 119.7162 59.3119 29.4304 179.1508 91 F 3.9481 8.1455 120.6472 61.3784 39.2496 177.3521 92 R 3.6812 8.1205 116.7068 59.3532 29.9052 178.5104 93 D 4.5017 7.9581 117.9933 57.2818 41.1433 178.6702 94 S 3.7573 7.6080 114.8714 60.9610 62.7384 176.9014 95 Q 4.1439 7.5831 118.4517 56.5693 28.2534 178.0898 *97 E 4.2728 8.0982 121.6413 56.5854 31.7346 178.5299 98 V 3.5509 7.8363 117.7946 66.0935 31.5002 177.8947 99 N 4.3036 8.4266 116.5899 56.3558 38.3464 177.2230 100 D 4.3790 8.0022 119.9917 57.0001 40.9555 178.3701 101 L 3.9563 7.9586 121.0369 58.1275 42.1062 178.9802 102 L 3.9383 8.0422 119.0612 57.8776 41.4469 179.3540 103 Q 3.8586 8.0793 119.5410 58.8767 28.8931 177.9553 104 L 3.9628 7.9960 121.4952 58.0937 42.0526 179.1036 105 V 3.5400 7.9579 117.9849 65.9500 31.4413 177.8035 106 A 3.9414 8.0630 120.4714 55.5515 18.1985 179.3832 107 H 4.2131 8.3686 114.9044 59.2243 28.6873 178.1945 108 T 3.8659 8.2972 117.9191 66.6994 68.3337 176.7251 109 I 3.6607 8.0033 121.9341 64.3937 37.0545 178.4100 110 S 4.0896 8.1798 113.9082 61.6692 62.3836 176.0671 111 N 4.4142 8.6502 119.5070 56.1330 38.1503 177.2872 112 Q 4.0011 8.4205 121.4763 58.7556 29.0387 178.1877 113 V 3.5630 7.8890 119.4166 66.3745 31.5555 178.0686 114 T 3.8575 7.6896 115.1199 66.7095 68.2567 176.3351 115 N 4.3031 7.9840 117.9548 56.3501 38.7452 177.0365 116 E 3.9849 8.4679 120.9862 59.4326 29.7121 178.9748 117 I 3.7755 8.1106 120.1201 64.2275 37.1241 178.5427 118 I 3.6965 7.9326 121.1013 64.6567 36.8142 178.6923 119 T 3.9508 8.2212 109.3142 64.2911 68.5391 175.7197 120 S 4.4029 7.7278 114.8107 60.0154 62.7924 174.4234 121 T 4.4586 8.4858 115.6346 65.4403 70.1020 174.7561 122 G 3.6219 8.6324 106.0683 44.7473 0.0000 174.9718 123 G 4.1025 8.2244 104.6599 45.5401 0.0000 173.5122 124 D 4.5391 8.3321 117.2568 53.2217 39.5581 176.1043 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 4.25 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 1.17 0.00 0.00 3 L 8.17 3.98 0.00 1.73 1.66 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 4 Y 8.12 4.32 0.00 2.99 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 5 S 9.45 4.64 0.00 4.02 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 6 K 8.62 3.89 0.00 1.83 1.93 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.55 1.53 7.81 7 K 8.03 3.93 0.00 1.83 1.82 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.54 7.81 8 D 8.02 4.37 0.00 3.07 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 9 I 7.79 3.58 2.02 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.88 0.86 0.00 0.00 10 V 8.02 3.57 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 1.02 0.00 0.00 1.01 0.00 0.00 11 Q 8.03 4.00 0.00 2.32 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.65 0.00 12 Q 8.35 3.99 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 13 A 8.34 4.00 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 14 R 8.02 3.92 0.00 2.06 1.98 0.00 3.12 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.88 0.00 15 N 7.86 4.36 0.00 2.87 2.86 0.00 0.00 6.98 8.01 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 16 L 7.75 4.05 0.00 1.80 1.78 0.89 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 17 A 8.04 4.17 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 18 K 7.61 4.24 0.00 1.90 1.84 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.75 7.81 *20 I 7.78 4.20 2.00 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 1.45 1.03 0.87 0.00 0.00 21 S 8.18 4.39 0.00 3.95 4.08 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 22 E 7.54 4.71 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 2.24 2.34 0.00 23 T 7.46 4.67 4.45 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 1.24 0.00 0.00 24 E 8.57 4.06 0.00 2.06 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 2.41 2.42 0.00 25 E 8.19 4.24 0.00 2.09 2.05 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 2.44 2.69 0.00 26 V 7.69 3.71 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 1.11 0.00 0.00 0.93 0.00 0.00 27 D 8.33 4.40 0.00 3.00 2.87 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 28 F 8.67 4.48 0.00 3.12 3.32 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 29 F 8.17 4.10 0.00 3.02 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 30 K 8.75 4.16 0.00 2.10 1.95 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.67 1.83 7.81 31 R 8.18 4.07 0.00 2.14 2.27 0.00 2.86 0.00 0.00 3.25 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.84 0.00 32 A 8.13 4.04 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 33 E 8.33 3.49 0.00 1.84 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 2.18 2.02 0.00 34 A 8.00 3.98 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 35 Q 7.96 3.77 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.77 0.00 0.00 0.00 0.00 0.00 2.61 2.54 0.00 36 I 7.26 3.84 1.65 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 1.30 0.19 0.84 0.00 0.00 37 N 7.74 4.44 0.00 2.78 2.85 0.00 0.00 6.86 8.72 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 38 E 7.32 4.46 0.00 1.89 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 2.22 2.26 0.00 39 N 7.79 4.42 0.00 2.80 2.65 0.00 0.00 7.03 9.28 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 40 D 8.84 4.33 0.00 2.71 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 41 K 8.07 3.91 0.00 1.81 1.93 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.49 7.81 42 V 8.37 3.57 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 0.94 0.00 0.00 0.94 0.00 0.00 43 S 7.80 4.03 0.00 3.86 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 44 T 8.24 3.82 4.37 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 1.20 0.00 0.00 45 I 7.83 3.70 1.86 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 1.40 0.73 0.93 0.00 0.00 46 V 8.02 3.57 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 1.01 0.00 0.00 0.96 0.00 0.00 47 N 8.14 4.36 0.00 2.94 2.83 0.00 0.00 6.97 7.72 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 48 Q 8.11 3.99 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.64 0.00 49 I 7.96 3.70 2.03 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.78 0.91 0.00 0.00 50 K 8.09 4.02 0.00 2.13 1.86 0.00 1.56 0.00 0.00 1.90 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.51 7.81 51 A 8.24 4.01 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 52 L 8.11 4.01 0.00 1.87 1.73 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 8.26 4.01 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.68 0.00 54 K 7.83 4.00 0.00 1.86 1.97 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.48 7.81 55 Q 7.98 4.01 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.37 2.65 0.00 56 A 8.23 3.97 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 57 V 7.53 3.58 2.24 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 1.00 0.00 0.00 1.01 0.00 0.00 58 N 7.86 4.44 0.00 3.07 2.96 0.00 0.00 7.21 6.54 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 L 8.56 4.09 0.00 1.83 1.73 0.95 0.82 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 60 K 8.32 4.18 0.00 2.03 2.10 0.00 1.34 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.75 1.55 7.81 61 H 7.94 4.11 0.00 3.23 3.69 0.00 5.94 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 7.94 4.11 0.00 2.99 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 63 E 7.71 3.63 0.00 2.08 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 2.23 2.35 0.00 64 K 8.28 4.32 0.00 1.71 1.75 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.62 1.62 7.81 65 H 7.71 4.17 0.00 3.19 3.36 0.00 5.63 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 66 E 8.30 3.98 0.00 1.99 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 2.44 2.35 0.00 67 A 7.97 4.06 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 68 L 8.15 3.92 0.00 1.90 1.95 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 69 K 8.16 3.94 0.00 2.09 1.87 0.00 1.73 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.62 7.81 70 Q 7.80 3.99 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.53 2.51 0.00 71 V 7.72 3.59 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 1.07 0.00 0.00 0.98 0.00 0.00 72 E 8.71 4.02 0.00 2.17 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 2.34 2.62 0.00 73 A 8.08 4.02 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 74 K 8.29 3.92 0.00 1.99 1.87 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.68 7.81 75 I 7.81 3.73 2.01 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 1.52 0.83 0.92 0.00 0.00 76 D 8.27 4.33 0.00 2.85 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 77 A 8.19 4.01 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 78 L 8.09 3.97 0.00 1.85 1.72 0.96 1.01 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 79 Q 8.42 3.99 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.70 0.00 80 E 8.05 4.00 0.00 1.95 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 2.54 2.47 0.00 81 E 8.16 4.06 0.00 2.07 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 2.31 2.32 0.00 82 L 8.07 3.95 0.00 1.89 1.88 0.90 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 83 E 7.92 4.12 0.00 2.16 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 2.59 2.51 0.00 84 E 7.79 4.22 0.00 2.17 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 2.55 2.49 0.00 85 I 7.25 3.83 1.98 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 1.30 0.98 0.91 0.00 0.00 86 P 0.00 4.24 0.00 2.16 2.15 0.00 3.61 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.23 0.00 87 V 7.81 3.67 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 0.82 0.00 0.00 0.91 0.00 0.00 88 I 7.59 3.85 2.13 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.11 0.97 0.00 0.00 89 Q 8.47 4.05 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.67 0.00 90 E 8.51 4.10 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 2.58 2.57 0.00 91 F 8.15 3.95 0.00 3.09 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 92 R 8.12 3.68 0.00 1.92 1.94 0.00 3.38 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 93 D 7.96 4.50 0.00 2.92 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 94 S 7.61 3.76 0.00 3.28 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 95 Q 7.58 4.14 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.43 0.00 0.00 0.00 0.00 0.00 2.15 1.29 0.00 *97 E 8.10 4.27 0.00 2.30 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 0.00 2.39 2.57 0.00 98 V 7.84 3.55 2.06 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 0.82 0.00 0.00 0.91 0.00 0.00 99 N 8.43 4.30 0.00 2.75 2.82 0.00 0.00 7.07 8.45 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 0.00 100 D 8.00 4.38 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 0.00 101 L 7.96 3.96 0.00 1.85 1.83 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 102 L 8.04 3.94 0.00 1.84 1.65 0.84 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 103 Q 8.08 3.86 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 104 L 8.00 3.96 0.00 1.83 1.87 0.94 0.65 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 0.00 105 V 7.96 3.54 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 1.02 0.00 0.00 0.97 0.00 0.00 106 A 8.06 3.94 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 0.00 107 H 8.37 4.21 0.00 3.32 3.32 0.00 5.63 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 0.00 108 T 8.30 3.87 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 1.21 0.00 0.00 109 I 8.00 3.66 1.98 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 1.38 1.06 0.89 0.00 0.00 110 S 8.18 4.09 0.00 3.98 4.02 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 0.00 111 N 8.65 4.41 0.00 2.89 2.85 0.00 0.00 6.72 7.12 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 0.00 112 Q 8.42 4.00 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 113 V 7.89 3.56 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 1.07 0.00 0.00 1.00 0.00 0.00 114 T 7.69 3.86 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 1.21 0.00 0.00 115 N 7.98 4.30 0.00 2.99 2.86 0.00 0.00 6.66 7.09 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 0.00 116 E 8.47 3.98 0.00 2.25 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 2.41 0.00 117 I 8.11 3.78 2.01 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.59 0.91 0.00 0.00 118 I 7.93 3.70 2.03 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.25 0.91 0.00 0.00 119 T 8.22 3.95 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 1.28 0.00 0.00 120 S 7.73 4.40 0.00 4.03 3.92 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 0.00 121 T 8.49 4.46 4.32 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 1.21 0.00 0.00 122 G 8.63 3.62 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 0.00 123 G 8.22 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 0.00 0.00 0.00 124 D 8.33 4.54 0.00 2.76 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 * Residues marked with a * may have inaccurate shift predictions.