NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.3651 8.3344 115.4045 57.9610 65.1838 174.1089 4 I 3.4615 7.6144 121.2453 59.1297 38.0944 174.0263 5 S 4.4938 9.1506 123.4664 57.6179 65.1816 173.6237 6 E 4.0551 8.5763 119.9739 59.2692 29.7347 179.5030 7 K 3.7720 7.6184 115.7852 57.7244 32.0698 178.0649 *9 V 4.0393 7.8366 119.0613 62.6106 33.2187 177.1621 10 E 4.1483 8.1553 117.7785 58.8793 29.6576 178.7523 11 A 4.0777 8.0046 121.6588 54.8068 18.3676 179.6044 12 L 3.9985 7.9022 117.2192 58.1145 41.7299 179.2371 13 N 4.4434 8.4762 116.4988 56.4103 38.3623 177.7408 14 R 3.9843 8.2288 119.6545 59.2787 30.0939 178.8654 15 Q 4.0069 8.1266 119.3317 58.9837 29.0116 178.2409 16 I 3.8179 8.1481 121.4379 64.2611 37.0786 177.8023 17 N 4.4328 8.4058 117.8047 56.7390 38.7919 176.8537 18 A 4.2147 8.3625 122.4003 55.0777 18.3791 179.5690 19 E 4.0899 8.5298 117.5068 59.7695 29.7130 179.5775 20 I 3.8404 8.0532 119.8985 64.3965 36.9673 177.9871 21 Y 4.1006 8.6275 120.9638 60.7351 38.7406 177.6624 22 S 3.8105 8.7096 116.3964 61.6663 62.9306 176.5116 23 A 4.2967 8.4862 123.5719 55.7434 18.1857 179.0531 24 Y 4.3556 7.8209 117.1415 60.1260 38.5922 177.4525 25 L 3.6261 7.5454 121.2988 58.4068 42.2517 178.4468 26 Y 4.4550 7.2079 114.8919 60.7392 37.9925 177.7290 27 L 3.9616 8.2319 121.8250 57.7938 41.9112 179.6071 28 S 4.3499 7.7603 111.8132 58.3344 62.3290 175.7117 *30 A 4.5496 7.9896 124.1879 51.9057 20.6052 179.6155 31 S 4.1138 7.9671 109.5609 61.8437 61.8979 175.6944 32 Y 4.1802 8.0863 121.9611 61.0457 38.4839 178.3156 33 F 4.0914 8.1095 117.9118 60.1725 39.0409 177.2843 34 D 4.4136 8.3336 119.1457 57.4785 40.5106 178.9510 35 S 4.3325 8.0338 112.8082 60.0068 63.0176 174.7918 36 I 4.1754 7.0573 113.5219 60.4259 37.4516 176.2991 37 G 3.9142 8.2643 108.0861 46.4193 0.0000 175.6837 38 L 4.5964 7.7870 122.2616 53.1017 39.7131 177.0253 39 K 4.2114 8.1925 122.8944 58.9961 32.4593 178.8068 40 G 4.1276 8.3255 107.2057 47.2043 0.0000 175.6671 41 F 3.5898 8.4075 119.2977 60.2046 38.9040 177.1053 42 S 4.4349 8.0527 111.4558 61.7693 62.3996 175.5870 43 N 4.5748 8.2504 119.5668 56.1267 38.5759 176.9839 44 W 3.9746 8.0692 126.7038 58.4809 30.8411 177.4763 *46 R 4.4393 7.9164 117.9710 55.9502 31.7593 178.0403 47 V 3.5328 7.9127 116.9203 66.1062 31.3966 177.8962 48 Q 3.6265 8.0029 119.4424 58.7474 28.8710 177.9766 49 W 4.5254 8.2889 128.8663 60.1437 30.5802 177.8315 50 Q 3.5680 7.7236 117.1765 58.1395 28.3239 177.4128 51 E 3.9863 7.9840 119.6934 59.5227 30.0149 178.5778 52 E 4.0670 8.5161 118.8282 59.0442 29.2118 179.9123 53 L 3.9154 7.1734 115.8796 55.4696 41.6156 177.8970 *55 H 4.9518 8.1849 117.8185 56.1865 30.5510 175.2235 56 A 4.2278 7.9483 117.8684 53.0763 17.5683 177.5630 *58 K 4.0940 7.9984 118.1225 57.7383 33.2716 177.2094 *60 F 4.6287 7.9941 119.6489 57.9847 41.1692 176.8334 61 D 4.4472 8.2799 119.7234 57.1505 40.4656 178.5610 62 F 3.8761 8.0507 120.9358 61.0199 39.2919 177.2000 63 V 3.2882 7.6904 117.6817 66.1363 31.2625 177.9712 64 S 4.4352 7.4110 114.0863 60.4036 62.7120 175.9881 65 E 3.8784 7.4229 122.1670 58.8090 29.4213 178.1006 66 R 3.9491 7.2762 115.2240 56.1678 29.9915 177.5288 67 G 3.7456 7.7952 107.4271 45.3620 0.0000 174.1895 68 G 3.8024 7.6228 109.6700 44.2448 0.0000 172.6252 69 R 4.4182 7.9187 118.2985 53.9126 32.3338 174.7955 70 V 4.0774 8.0695 124.8633 61.8650 32.1421 174.6624 71 K 4.3946 8.3286 127.8850 54.3961 33.9987 174.9099 72 L 4.5333 8.0255 125.3422 53.4284 43.2696 175.3695 73 Y 4.9028 8.1126 118.6197 55.5962 41.4139 175.4544 74 A 4.1572 8.5757 124.0864 52.3297 19.1016 177.3300 75 V 4.3366 8.0506 120.1463 60.8583 32.4807 175.9301 76 E 4.1531 8.8276 127.0997 56.1178 29.9576 176.4945 77 E 4.1782 8.7837 123.4902 55.6405 29.9755 175.1191 78 P 4.9315 0.0000 0.0000 60.9111 32.3049 173.6562 79 P 4.3875 0.0000 0.0000 62.9320 31.6308 176.2414 80 S 4.6943 7.3379 108.0148 58.2710 66.5413 173.6403 81 E 4.6115 6.9561 118.8395 54.2415 32.1571 174.5472 82 W 4.8260 7.3066 118.3193 55.1905 33.1545 176.0591 83 D 4.5657 8.7496 119.7145 56.6656 40.8447 176.8898 84 S 4.7169 7.4989 109.6947 55.9862 67.2076 174.8985 85 P 4.5681 0.0000 0.0000 65.9776 30.8749 178.5962 86 L 4.0656 8.0760 118.2348 58.2378 42.0475 178.7893 87 A 4.2675 8.0061 120.2522 54.9562 18.2992 179.5047 88 A 3.3785 8.1001 119.5339 55.1937 18.3152 179.8697 89 F 3.8957 8.4226 116.0278 60.1798 38.9981 177.9426 90 E 4.1863 8.6138 118.9911 59.5949 29.1673 178.7206 91 H 4.4090 8.8297 118.8726 59.1720 29.8840 177.3439 92 V 3.7226 8.1252 120.5132 66.3162 31.2989 177.0803 93 Y 4.2117 8.5277 119.4849 61.1860 38.6677 178.3259 94 E 3.8559 8.5322 119.1540 59.3483 29.5073 178.8228 95 H 4.2145 8.6743 118.9850 59.3677 29.9177 177.2782 96 E 4.0095 8.6819 120.8996 59.2836 29.2939 179.3664 97 V 3.5206 7.7872 118.5796 65.9857 31.4339 177.8593 98 N 4.4000 8.1007 116.2500 56.0016 38.3421 177.6003 99 V 3.7164 7.8767 119.8754 66.0564 31.5753 178.1720 100 T 3.8671 8.3197 116.0162 66.5878 68.4726 176.0825 101 K 3.8487 7.9749 121.3979 59.9023 32.0945 178.5541 102 R 3.9119 8.4464 118.9465 59.5178 30.0352 178.6202 103 I 3.7045 8.0328 119.9326 64.7066 37.0960 178.0087 104 H 4.0863 8.7407 117.4190 59.0181 28.2565 177.6905 105 E 4.0426 7.9961 119.3511 59.3430 29.3529 179.0063 106 L 4.1665 7.6019 117.7759 57.6374 41.7313 179.2985 107 V 3.9318 7.6943 117.2477 66.0507 31.5267 179.3283 108 E 4.1727 7.8961 114.7141 56.5901 29.5651 177.3595 *110 A 4.1919 7.8186 119.8060 52.2199 20.1080 179.0853 *112 Q 4.2325 8.0664 121.3057 57.1956 30.6213 175.6665 113 E 4.3899 8.1489 114.3547 55.1076 29.7054 175.5405 114 K 3.4826 7.8680 116.1679 57.1859 30.0210 176.3649 115 D 4.5141 7.6799 119.3072 53.1315 38.5647 175.8680 116 F 4.6418 7.7150 122.6644 60.0600 39.4436 176.4329 117 A 4.2291 8.3022 120.0526 55.7431 18.2199 179.7482 118 T 4.1418 8.4941 114.1452 66.9060 68.4108 176.2354 119 Y 4.2166 8.2377 120.6119 60.9816 39.0061 177.8342 120 N 4.4254 8.6408 117.6121 56.8069 39.2960 176.5080 121 F 4.0249 8.1942 122.0482 61.3980 39.2558 176.7238 122 L 4.1069 7.8838 117.3986 56.6502 41.4713 179.0576 123 Q 3.9036 7.8829 118.5467 58.1144 28.4204 178.2264 124 W 3.8809 7.6170 128.5716 60.6299 30.7128 177.6436 125 Y 3.8766 7.9189 116.2313 60.6364 37.1568 178.0811 126 V 3.4883 7.6158 118.5008 65.9873 31.8027 177.7044 127 A 3.9839 7.7829 120.4779 54.9429 18.1003 179.2015 128 E 3.5296 7.8043 118.0818 59.3381 29.4770 179.1444 129 Q 3.9605 8.0457 118.1526 58.4844 28.8207 178.5497 130 V 3.5672 7.3204 118.2033 66.0740 31.4230 177.7323 131 E 3.8970 7.9799 118.1669 59.2641 29.5602 178.1270 132 E 4.0262 8.3062 118.7951 59.7753 29.5303 179.2847 133 E 4.1045 8.6556 118.4756 59.5681 29.4538 179.4352 134 A 4.1031 7.9685 120.3171 55.1652 18.2752 179.9193 135 S 4.1330 8.5821 113.9036 61.6674 62.9359 176.7939 136 A 4.3011 8.1697 123.2607 55.1167 18.1827 179.4945 137 L 3.7695 8.5420 119.2854 58.1899 42.0844 178.8437 138 D 4.2981 8.4201 119.3110 57.3655 40.7390 178.6988 139 I 3.6215 7.2982 118.7026 63.5886 37.0769 178.5458 140 V 3.5943 7.7311 119.3908 66.0611 31.3801 178.0035 141 E 3.9933 8.3073 118.4310 59.1453 29.3051 179.4181 142 K 3.9789 7.9984 118.7441 59.3739 32.1975 179.3459 143 L 4.1098 7.9223 119.1466 57.4066 41.2873 179.6684 144 R 3.9845 7.8505 117.7775 58.7555 30.1202 178.0349 145 L 4.0703 7.7321 119.3690 58.5537 42.1958 179.0008 146 I 3.8827 7.9581 119.6006 61.9003 37.2310 177.7387 147 G 3.8441 8.1878 106.9382 47.1140 0.0000 175.8660 148 E 4.0744 8.8501 123.5836 57.2505 29.8748 176.2976 149 D 4.3885 7.7828 119.5425 54.2348 41.9247 176.5682 150 K 4.0624 8.6171 128.1877 59.3273 32.4251 179.4548 151 R 3.9869 8.0557 115.8041 59.2457 29.3277 178.6985 152 A 4.0360 9.4633 122.5903 54.7217 18.4144 178.9911 153 L 3.9616 7.9762 118.9591 58.6887 42.0450 179.2684 154 L 4.2103 7.9927 117.9370 57.0371 41.6821 178.9020 155 F 3.9549 8.2025 120.8324 61.3336 39.2460 176.9514 156 L 3.9623 8.1500 119.6778 58.0898 41.8308 178.2549 157 D 4.2571 8.2837 118.1083 57.2625 41.0263 178.2479 158 K 3.8209 7.8791 119.9300 59.4615 32.1062 178.5360 159 E 3.7646 7.6097 118.7130 59.5195 29.4665 179.5041 160 L 3.9616 7.9017 119.0398 57.2878 41.3671 179.3573 161 S 4.2706 7.4271 113.3335 60.5330 62.9454 175.7268 162 L 4.1542 7.7250 121.7107 55.3206 41.9226 177.1849 163 R 4.1108 7.1867 119.5158 56.0694 30.7575 176.1451 164 Q 4.0873 8.2219 119.9732 56.3962 28.7928 174.8888 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 3 S 8.33 4.37 0.00 3.95 4.03 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 0.00 0.00 0.00 4 I 7.61 3.46 1.79 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 1.08 0.88 0.00 0.00 5 S 9.15 4.49 0.00 4.01 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 6 E 8.58 4.06 0.00 2.05 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 2.38 2.28 0.00 7 K 7.62 3.77 0.00 1.70 1.78 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.39 7.81 *9 V 7.84 4.04 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 0.93 0.00 0.00 0.95 0.00 0.00 10 E 8.16 4.15 0.00 2.39 2.41 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 2.31 2.55 0.00 11 A 8.00 4.08 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.90 4.00 0.00 1.90 1.81 1.08 0.85 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 13 N 8.48 4.44 0.00 3.07 3.20 0.00 0.00 7.06 7.18 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 14 R 8.23 3.98 0.00 2.01 1.94 0.00 3.03 0.00 0.00 2.63 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.77 0.00 15 Q 8.13 4.01 0.00 2.29 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 16 I 8.15 3.82 2.17 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.96 1.07 0.00 0.00 17 N 8.41 4.43 0.00 3.07 3.11 0.00 0.00 7.10 8.57 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 18 A 8.36 4.21 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 19 E 8.53 4.09 0.00 2.24 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 0.00 2.68 2.65 0.00 20 I 8.05 3.84 2.10 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 1.42 1.16 0.95 0.00 0.00 21 Y 8.63 4.10 0.00 3.23 3.24 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 22 S 8.71 3.81 0.00 4.16 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 23 A 8.49 4.30 1.67 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 0.00 0.00 24 Y 7.82 4.36 0.00 3.23 2.83 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 0.00 0.00 0.00 25 L 7.55 3.63 0.00 0.94 1.14 1.02 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 7.21 4.46 0.00 3.18 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 27 L 8.23 3.96 0.00 0.97 1.41 0.19 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 28 S 7.76 4.35 0.00 3.80 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 *30 A 7.99 4.55 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 31 S 7.97 4.11 0.00 3.88 4.12 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 32 Y 8.09 4.18 0.00 3.32 2.85 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 33 F 8.11 4.09 0.00 3.20 3.26 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 34 D 8.33 4.41 0.00 2.94 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 35 S 8.03 4.33 0.00 4.01 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 36 I 7.06 4.18 1.72 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.56 0.60 0.00 0.00 37 G 8.26 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 38 L 7.79 4.60 0.00 1.80 1.79 0.65 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.19 4.21 0.00 1.79 1.89 0.00 1.82 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.56 1.47 7.81 40 G 8.33 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 0.00 0.00 0.00 0.00 41 F 8.41 3.59 0.00 2.66 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.05 4.43 0.00 4.15 4.16 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 43 N 8.25 4.57 0.00 2.91 3.01 0.00 0.00 6.84 7.86 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 44 W 8.07 3.97 0.00 3.29 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 *46 R 7.92 4.44 0.00 2.14 2.15 0.00 3.31 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.64 0.00 47 V 7.91 3.53 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 0.85 0.00 0.00 0.93 0.00 0.00 48 Q 8.00 3.63 0.00 1.41 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 1.55 2.24 0.00 49 W 8.29 4.53 0.00 3.79 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 50 Q 7.72 3.57 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.70 0.00 0.00 0.00 0.00 0.00 2.10 2.01 0.00 51 E 7.98 3.99 0.00 1.82 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 0.00 2.12 2.35 0.00 52 E 8.52 4.07 0.00 2.10 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 0.00 2.66 2.90 0.00 53 L 7.17 3.92 0.00 1.48 1.41 0.66 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 *55 H 8.18 4.95 0.00 3.56 3.84 0.00 5.72 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 7.95 4.23 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 *58 K 8.00 4.09 0.00 1.65 1.97 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.54 1.28 7.81 *60 F 7.99 4.63 0.00 3.27 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 61 D 8.28 4.45 0.00 2.83 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 62 F 8.05 3.88 0.00 2.32 2.44 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 63 V 7.69 3.29 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 0.94 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.12 0.00 0.00 141 E 8.31 3.99 0.00 1.99 1.92 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 2.20 2.42 0.00 142 K 8.00 3.98 0.00 1.68 1.81 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.54 7.81 143 L 7.92 4.11 0.00 1.94 1.73 0.99 0.73 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 0.00 144 R 7.85 3.98 0.00 1.78 1.98 0.00 3.18 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 145 L 7.73 4.07 0.00 1.85 1.85 0.88 0.88 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 0.00 146 I 7.96 3.88 1.99 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.61 0.95 0.00 0.00 147 G 8.19 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 0.00 148 E 8.85 4.07 0.00 1.97 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 2.31 2.24 0.00 149 D 7.78 4.39 0.00 2.65 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 0.00 150 K 8.62 4.06 0.00 1.85 1.84 0.00 1.73 0.00 0.00 1.87 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.66 7.81 151 R 8.06 3.99 0.00 2.02 2.22 0.00 3.13 0.00 0.00 3.35 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 152 A 9.46 4.04 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 0.00 153 L 7.98 3.96 0.00 1.89 1.93 0.83 0.64 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 0.00 154 L 7.99 4.21 0.00 1.97 1.74 0.94 0.80 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 0.00 155 F 8.20 3.95 0.00 3.14 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 0.00 156 L 8.15 3.96 0.00 1.96 2.01 0.79 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 157 D 8.28 4.26 0.00 3.22 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 0.00 158 K 7.88 3.82 0.00 1.91 1.58 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.27 1.38 7.81 159 E 7.61 3.76 0.00 2.02 1.84 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 1.98 2.42 0.00 160 L 7.90 3.96 0.00 1.46 1.61 0.61 -0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 161 S 7.43 4.27 0.00 3.95 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 0.00 162 L 7.72 4.15 0.00 1.78 1.72 0.87 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 163 R 7.19 4.11 0.00 1.82 1.78 0.00 2.73 0.00 0.00 2.80 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.48 0.00 164 Q 8.22 4.09 0.00 2.10 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.42 0.00 0.00 0.00 0.00 0.00 2.17 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.