NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *9 V 4.0583 8.1545 117.9088 60.0696 34.0829 176.1907 *10 E 4.3146 8.0081 115.6750 53.8155 32.3592 174.6212 *11 E 4.4351 8.9246 123.5842 53.6168 29.9603 172.3018 *12 Q 4.2060 8.4105 126.1769 55.2046 28.9228 175.3959 *13 E 4.3558 8.5311 117.0740 56.1646 31.8612 173.8907 *14 Q 4.3473 8.3807 120.5716 55.6958 30.8756 175.7019 *15 Q 4.4068 7.7301 119.1988 55.3466 29.5001 176.6615 *16 Q 4.1454 9.0933 112.0763 58.4355 24.3343 172.9098 *17 Q 3.5332 8.7421 114.8540 57.2048 25.4412 172.4440 *18 Q 3.6137 7.6601 128.0201 55.5574 28.8254 176.5734 *19 I 4.1533 7.8533 120.4877 58.7794 36.3725 173.3262 20 I 4.7828 8.0380 125.8935 58.4831 37.3726 174.8105 21 K 4.5357 7.7183 117.3076 56.2514 35.9304 177.3036 22 I 4.0346 7.7723 119.8784 61.3923 37.3564 175.9026 23 R 4.5079 8.0823 121.8528 56.4114 32.4213 175.0221 24 I 3.9602 7.9244 119.0508 61.5954 37.4157 175.5588 25 T 4.6385 8.2813 112.3466 60.0426 72.0162 172.3687 26 L 5.0018 8.6073 126.7195 52.9778 44.6561 175.5181 27 T 5.0953 8.2181 114.1956 59.7487 71.4338 173.2281 28 S 4.9649 9.0155 121.9428 56.4970 65.9463 173.1412 29 T 5.0980 8.3811 114.5059 59.6820 70.9597 172.9613 30 K 4.6770 8.1704 125.7452 54.2676 35.4893 176.5483 31 V 3.5464 8.5104 122.7312 65.0165 31.8700 176.2920 32 K 4.6161 7.5633 118.8410 54.4838 34.4022 177.1650 33 Q 4.1636 8.7825 122.8305 58.8972 28.3075 178.8102 34 L 3.9807 7.8369 119.4911 57.9993 41.6606 179.2983 35 E 3.7702 8.0654 117.9381 59.2964 29.4332 178.8522 36 N 4.0751 7.6878 115.7168 56.4319 39.0108 176.9551 37 V 3.3973 7.3904 119.4332 66.0643 31.3773 178.0106 38 S 4.1211 7.2748 112.3225 61.5163 62.9406 176.2702 39 S 4.2098 7.5720 117.4349 61.1913 62.1808 176.1459 40 N 4.3624 7.9866 120.2174 55.9716 38.1487 177.2658 41 I 3.7017 7.7106 121.0637 64.4848 36.8603 178.5830 42 V 3.5710 7.3690 117.4375 65.8900 31.3101 177.9513 43 K 3.8889 7.6729 117.3503 59.6857 31.6344 178.9345 44 N 4.5671 8.1453 117.6296 55.7183 38.3877 177.1587 45 A 3.9913 7.9147 121.5510 55.2886 18.5777 179.2126 46 E 3.8924 7.7882 116.4559 59.7197 28.5140 179.6233 47 Q 4.0082 7.5535 117.2419 59.3279 28.5764 178.6773 48 H 4.2803 7.4757 114.3819 59.0651 28.8476 177.1698 49 N 4.4815 7.7336 116.5650 56.3188 38.4424 177.0732 50 L 4.1306 7.6423 118.7324 56.5898 41.8362 177.3219 51 V 4.2642 6.4145 120.4917 62.9522 35.6298 171.9932 52 K 4.6547 7.8755 116.5670 54.3093 35.6541 175.7346 53 K 4.3334 8.7040 122.4676 55.5861 32.8358 177.1516 54 G 4.0433 8.5173 113.0990 43.3537 0.0000 171.0052 55 P 4.5740 0.0000 0.0000 61.4971 32.4787 176.1407 56 V 4.1007 7.9425 119.4082 61.9124 32.6497 175.4150 57 R 4.3301 8.4199 119.8450 56.0530 30.5201 176.3110 58 L 4.6707 8.6328 125.4682 52.7763 44.9875 173.1933 59 P 5.1024 0.0000 0.0000 60.8766 33.3296 174.2989 60 T 4.3715 7.7032 115.3564 60.5054 70.5350 175.1752 61 K 4.0128 9.0124 125.6883 55.5864 31.2543 174.9814 62 V 4.6838 7.8688 117.7872 61.3555 34.8569 174.1417 63 L 4.8149 8.9531 126.6415 52.9182 44.4122 175.5449 64 K 5.4065 8.6303 122.5738 53.4770 35.6290 175.6688 65 I 4.5245 8.4536 124.9939 59.5219 39.9754 174.5765 66 S 4.9323 8.8106 122.7064 56.6929 64.7112 173.5846 67 T 4.4637 8.5802 115.0294 59.5225 70.4789 173.7000 68 R 4.5037 8.6213 125.1887 54.2918 30.9855 175.3045 69 K 4.5320 8.4374 122.4846 53.9912 34.7271 176.5665 70 T 3.8145 8.8246 114.3007 61.5221 68.2692 171.2234 71 P 3.7657 0.0000 0.0000 66.1221 31.7900 175.3796 72 N 5.1055 7.8618 118.0742 51.8814 44.3801 176.3508 73 G 3.7711 9.1645 112.8546 46.7952 0.0000 175.8878 74 E 4.4440 9.1299 122.1242 54.2780 32.0708 175.7174 75 G 3.7414 8.3479 109.0450 45.6059 0.0000 173.2660 76 S 4.6439 8.4646 116.8785 56.2451 65.0330 173.6458 77 K 4.5427 8.5073 123.2398 55.6379 33.8133 175.2001 78 T 4.4243 7.5436 105.7034 62.0167 70.9864 172.8032 79 W 4.2150 9.0985 119.4381 57.4089 25.8602 174.9868 80 E 4.1602 7.9914 116.2454 56.2694 29.7398 176.6431 81 T 4.2660 8.1559 110.2099 60.0216 70.8891 172.7938 82 Y 5.0954 8.4425 123.7792 56.2623 40.1379 175.4259 83 E 4.5123 8.4382 122.0154 55.8214 33.0872 174.1115 84 M 4.6782 8.7159 124.1885 53.6992 34.9904 174.6574 85 R 4.6139 8.5770 125.3039 54.7143 32.4250 175.1284 86 I 4.7608 8.1234 124.8204 60.4980 39.4697 174.6030 87 H 4.4344 8.7792 121.1121 55.4696 32.7270 172.6927 88 K 4.8904 8.5601 117.2891 55.0143 36.4946 175.9111 89 R 4.9424 8.6229 122.0970 54.7033 33.5220 173.9709 90 Y 5.0446 9.1279 122.0685 56.2929 41.0520 174.9238 91 I 4.6650 8.8654 126.1332 59.7393 39.3713 174.4736 92 D 4.9753 8.9995 127.5659 52.4441 43.7741 176.1170 93 L 4.5148 8.6348 123.2198 53.6680 43.8017 175.6579 94 E 4.7203 8.4211 118.6082 54.4501 32.2092 177.5028 95 A 4.2062 8.5282 124.2095 53.8633 18.8842 176.5475 96 P 4.9473 0.0000 0.0000 61.3081 34.0794 174.7706 97 V 4.3430 7.9874 122.1823 60.6355 30.3460 175.5493 98 Q 4.3302 7.8945 124.6218 54.4885 31.1612 176.4520 99 I 3.6928 8.1372 121.5758 64.7515 37.1538 178.7120 100 V 3.5916 7.8416 118.4692 66.1213 31.2518 177.9861 101 K 3.9591 7.9862 117.4645 59.4296 32.0844 179.2870 102 R 3.9387 7.7218 118.3264 59.3645 30.0281 179.0892 103 I 3.7124 7.6336 119.4782 64.5523 36.9644 178.5425 104 T 3.8475 7.8172 110.4478 65.0029 68.2936 176.3892 105 Q 4.0013 7.3588 119.2390 58.4747 28.8455 178.6499 106 I 4.1738 7.6175 120.4496 64.0140 37.2629 178.1066 107 T 4.2447 7.7669 109.1843 63.4784 68.5644 174.1372 108 I 4.3322 7.1613 124.8231 58.9139 37.9471 174.8508 109 E 4.6345 8.3978 124.8588 54.0764 32.6996 174.6382 110 P 4.7093 0.0000 0.0000 62.1989 32.0795 175.9241 111 G 3.6123 7.8844 109.1297 46.2206 0.0000 172.7802 112 V 4.0674 8.3722 123.4696 64.2611 32.7101 176.1613 113 D 4.8118 7.8028 115.4844 53.7641 42.2946 176.1917 114 V 4.0893 7.6494 120.1164 62.1950 32.8384 174.8255 115 E 4.6176 8.5644 126.2427 54.6980 31.8495 175.0758 116 V 4.4933 8.5715 127.1833 61.6049 32.6428 175.5290 *117 V 4.4562 8.1661 128.3735 59.9742 34.5108 172.5578 *118 V 4.0592 8.4841 125.9842 60.6830 32.1890 172.0486 119 A 4.5877 7.9818 128.3359 50.1379 21.9232 174.6239 120 S 4.7043 7.7164 110.4134 56.4704 65.5965 173.9453 121 N 4.5082 8.8250 120.0683 53.6565 38.2637 174.8381 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 *9 V 8.15 4.06 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 0.90 0.00 0.00 0.93 0.00 0.00 *10 E 8.01 4.31 0.00 1.99 1.71 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 0.00 2.11 1.94 0.00 *11 E 8.92 4.44 0.00 1.97 1.81 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 2.17 1.86 0.00 *12 Q 8.41 4.21 0.00 2.06 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.76 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 *13 E 8.53 4.36 0.00 1.84 1.75 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 2.22 1.87 0.00 *14 Q 8.38 4.35 0.00 1.81 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.57 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 *15 Q 7.73 4.41 0.00 2.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 5.95 0.00 0.00 0.00 0.00 0.00 2.26 1.93 0.00 *16 Q 9.09 4.15 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.71 0.00 0.00 0.00 0.00 0.00 2.14 1.90 0.00 *17 Q 8.74 3.53 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 5.96 0.00 0.00 0.00 0.00 0.00 2.16 1.91 0.00 *18 Q 7.66 3.61 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.82 0.00 0.00 0.00 0.00 0.00 2.20 2.16 0.00 *19 I 7.85 4.15 1.87 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 1.30 1.10 0.91 0.00 0.00 20 I 8.04 4.78 1.87 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 1.41 1.24 0.91 0.00 0.00 21 K 7.72 4.54 0.00 1.67 1.77 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.44 7.81 22 I 7.77 4.03 1.94 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 1.42 0.34 0.94 0.00 0.00 23 R 8.08 4.51 0.00 1.74 1.85 0.00 3.21 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 24 I 7.92 3.96 1.88 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 1.47 0.47 0.92 0.00 0.00 25 T 8.28 4.64 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 1.22 0.00 0.00 26 L 8.61 5.00 0.00 1.69 1.61 0.97 0.39 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 27 T 8.22 5.10 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 1.23 0.00 0.00 28 S 9.02 4.96 0.00 3.85 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 29 T 8.38 5.10 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 1.26 0.00 0.00 30 K 8.17 4.68 0.00 1.67 1.70 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.32 1.46 7.81 31 V 8.51 3.55 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 0.83 0.00 0.00 0.90 0.00 0.00 32 K 7.56 4.62 0.00 1.91 1.66 0.00 1.83 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.40 7.81 33 Q 8.78 4.16 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.91 0.00 0.00 0.00 0.00 0.00 2.64 2.62 0.00 34 L 7.84 3.98 0.00 1.68 1.71 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.07 3.77 0.00 1.96 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 2.38 2.34 0.00 36 N 7.69 4.08 0.00 2.85 2.45 0.00 0.00 6.83 7.59 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 37 V 7.39 3.40 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 1.00 0.00 0.00 0.95 0.00 0.00 38 S 7.27 4.12 0.00 3.99 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 39 S 7.57 4.21 0.00 4.14 4.11 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 40 N 7.99 4.36 0.00 2.85 2.89 0.00 0.00 7.05 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 41 I 7.71 3.70 2.04 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 1.41 0.97 0.91 0.00 0.00 42 V 7.37 3.57 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 1.01 0.00 0.00 0.95 0.00 0.00 43 K 7.67 3.89 0.00 1.92 1.84 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.72 7.81 44 N 8.15 4.57 0.00 2.80 2.83 0.00 0.00 6.43 7.41 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 45 A 7.91 3.99 1.34 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 0.00 0.00 46 E 7.79 3.89 0.00 2.17 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 2.32 2.55 0.00 47 Q 7.55 4.01 0.00 2.31 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.51 2.56 0.00 48 H 7.48 4.28 0.00 3.28 3.29 0.00 5.67 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 49 N 7.73 4.48 0.00 2.79 2.90 0.00 0.00 7.13 9.20 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 50 L 7.64 4.13 0.00 1.71 1.74 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 51 V 6.41 4.26 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 0.68 0.00 0.00 0.93 0.00 0.00 52 K 7.88 4.65 0.00 1.73 1.64 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.43 7.81 53 K 8.70 4.33 0.00 1.73 1.72 0.00 1.67 0.00 0.00 1.54 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.42 7.81 54 G 8.52 4.04 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 0.00 0.00 0.00 55 P 0.00 4.57 0.00 2.21 2.07 0.00 3.85 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 56 V 7.94 4.10 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 0.85 0.00 0.00 0.98 0.00 0.00 57 R 8.42 4.33 0.00 1.80 2.00 0.00 3.30 0.00 0.00 3.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.54 0.00 58 L 8.63 4.67 0.00 1.65 1.73 0.92 0.76 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 59 P 0.00 5.10 0.00 1.50 0.82 0.00 3.58 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.96 0.00 60 T 7.70 4.37 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 61 K 9.01 4.01 0.00 1.91 1.90 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.38 7.81 62 V 7.87 4.68 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 0.78 0.00 0.00 0.87 0.00 0.00 63 L 8.95 4.81 0.00 1.60 1.53 0.95 1.27 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 64 K 8.63 5.41 0.00 1.57 1.66 0.00 1.72 0.00 0.00 2.34 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.25 7.81 65 I 8.45 4.52 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 1.40 1.44 0.92 0.00 0.00 66 S 8.81 4.93 0.00 3.79 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 67 T 8.58 4.46 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 1.22 0.00 0.00 68 R 8.62 4.50 0.00 1.83 1.97 0.00 3.11 0.00 0.00 3.14 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 69 K 8.44 4.53 0.00 1.73 1.72 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.41 7.81 70 T 8.82 3.81 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 1.32 0.00 0.00 71 P 0.00 3.77 0.00 2.06 2.01 0.00 3.67 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 2.04 2.11 0.00 72 N 7.86 5.11 0.00 2.61 2.62 0.00 0.00 6.89 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 73 G 9.16 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 0.00 0.00 0.00 74 E 9.13 4.44 0.00 1.96 1.91 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 2.26 2.29 0.00 75 G 8.35 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 76 S 8.46 4.64 0.00 3.93 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 77 K 8.51 4.54 0.00 1.61 1.69 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.20 1.33 7.81 78 T 7.54 4.42 2.82 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 0.49 0.00 0.00 79 W 9.10 4.21 0.00 3.24 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 80 E 7.99 4.16 0.00 2.05 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 2.37 2.38 0.00 81 T 8.16 4.27 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 1.12 0.00 0.00 82 Y 8.44 5.10 0.00 2.83 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 83 E 8.44 4.51 0.00 1.97 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 2.25 2.33 0.00 84 M 8.72 4.68 0.00 1.96 1.90 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 2.44 2.57 0.00 85 R 8.58 4.61 0.00 1.89 1.84 0.00 3.17 0.00 0.00 3.18 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.84 0.00 86 I 8.12 4.76 1.83 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 1.32 0.52 0.81 0.00 0.00 87 H 8.78 4.43 0.00 3.06 3.22 0.00 5.56 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 K 8.56 4.89 0.00 1.97 1.59 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.27 7.81 89 R 8.62 4.94 0.00 1.73 1.85 0.00 3.08 0.00 0.00 3.37 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 90 Y 9.13 5.04 0.00 2.80 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 I 8.87 4.67 1.89 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 1.26 0.82 0.93 0.00 0.00 92 D 9.00 4.98 0.00 2.65 2.55 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 93 L 8.63 4.51 0.00 1.53 1.60 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.42 4.72 0.00 2.00 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 2.29 2.26 0.00 95 A 8.53 4.21 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 96 P 0.00 4.95 0.00 2.13 1.98 0.00 3.76 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.00 0.00 97 V 7.99 4.34 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 0.99 0.00 0.00 1.03 0.00 0.00 98 Q 7.89 4.33 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 99 I 8.14 3.69 1.87 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 1.03 0.91 0.00 0.00 100 V 7.84 3.59 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 1.07 0.00 0.00 0.93 0.00 0.00 101 K 7.99 3.96 0.00 2.07 2.01 0.00 1.85 0.00 0.00 1.92 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.53 7.81 102 R 7.72 3.94 0.00 1.94 1.98 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 103 I 7.63 3.71 1.87 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 0.77 0.91 0.00 0.00 104 T 7.82 3.85 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 0.00 105 Q 7.36 4.00 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.98 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 106 I 7.62 4.17 1.99 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 1.20 1.28 0.91 0.00 0.00 107 T 7.77 4.24 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 1.26 0.00 0.00 108 I 7.16 4.33 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 1.29 0.65 0.90 0.00 0.00 109 E 8.40 4.63 0.00 1.95 1.77 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 2.31 2.40 0.00 110 P 0.00 4.71 0.00 2.14 2.12 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 1.89 1.91 0.00 111 G 7.88 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 0.00 0.00 0.00 112 V 8.37 4.07 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 0.84 0.00 0.00 0.91 0.00 0.00 113 D 7.80 4.81 0.00 2.64 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 0.00 114 V 7.65 4.09 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 0.76 0.00 0.00 0.87 0.00 0.00 115 E 8.56 4.62 0.00 1.99 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 2.21 2.40 0.00 116 V 8.57 4.49 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 0.77 0.00 0.00 0.91 0.00 0.00 *117 V 8.17 4.46 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 0.67 0.00 0.00 0.93 0.00 0.00 *118 V 8.48 4.06 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 0.86 0.00 0.00 0.93 0.00 0.00 119 A 7.98 4.59 1.26 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 0.00 0.00 0.00 120 S 7.72 4.70 0.00 4.02 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 0.00 121 N 8.83 4.51 0.00 2.74 2.78 0.00 0.00 6.90 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 * Residues marked with a * may have inaccurate shift predictions.