NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 39 H 4.6902 8.3027 117.7913 54.8078 32.1832 174.5051 40 C 6.1149 8.7110 135.0000 59.7275 31.8979 169.0261 41 R 4.6326 8.0810 122.2778 55.1576 35.1643 173.3371 42 L 4.9169 7.8691 118.3579 52.7265 45.2098 176.2743 43 D 4.6286 8.4038 119.7370 53.5371 42.1780 177.1018 44 K 4.0588 8.9893 125.8430 60.6188 32.1940 179.3289 45 S 4.3540 8.4668 114.4597 61.2102 62.6135 175.9254 46 N 4.3609 8.0483 119.6280 55.5921 38.1955 176.2526 47 F 5.0688 7.9193 116.3606 57.1457 39.6601 175.9647 48 Q 4.6229 7.8311 115.3949 55.3923 29.7640 176.4447 49 Q 4.3861 7.8955 119.0412 54.1382 29.0279 174.2050 50 P 4.1965 0.0000 0.0000 65.5498 31.3823 177.5103 51 Y 4.0977 8.0485 118.0077 61.0546 38.6934 178.0050 52 I 3.3146 7.5671 118.6167 64.0084 38.1756 177.8295 53 T 3.1242 7.7550 116.7591 66.5428 68.2122 175.9232 54 N 4.0758 8.3205 118.2369 56.6033 38.6269 177.5970 55 R 3.3428 7.7809 119.4261 59.4473 30.0221 179.3485 56 T 3.7558 8.1269 115.7757 66.6673 68.3860 176.8105 57 F 3.7662 8.0788 119.6777 60.5530 38.8674 177.6980 58 M 3.7830 8.4964 119.2928 58.0619 31.4998 178.6449 59 L 3.8113 7.7663 120.5474 58.0829 42.3244 178.8934 60 A 4.5319 8.0622 122.4728 54.3096 17.9595 179.6365 61 K 4.0107 7.7972 119.2415 59.2857 32.5551 178.4093 62 E 4.0615 8.4204 118.9764 59.5553 29.4450 178.9559 63 A 3.6483 7.8100 120.6793 55.4662 18.2963 179.9448 64 S 4.1466 8.4375 112.4064 61.1466 62.8423 176.4375 65 L 4.0271 7.9155 122.1680 57.0973 41.3838 178.1376 66 A 4.7047 7.7207 118.0425 50.8343 19.3707 175.9323 67 D 4.7668 8.3795 119.3884 52.7671 42.0808 176.2290 68 N 4.6042 8.5975 123.9777 54.3266 39.6516 175.9218 69 N 4.6359 7.8298 115.4196 53.6467 36.3250 174.5330 70 T 4.2201 8.0019 112.6042 63.0497 69.8376 176.5456 71 D 4.3972 8.0010 120.7571 55.5587 41.2266 176.0211 72 V 4.2030 7.6128 117.8971 60.8686 32.9344 174.1534 73 R 4.6984 8.3165 127.5146 54.3302 31.7098 175.1686 74 L 4.0100 9.3114 127.1726 57.7076 41.9238 178.7572 75 I 3.9830 8.7981 126.6302 60.0199 35.8662 175.2560 76 G 4.2904 7.6302 113.6216 43.4137 0.0000 170.3179 77 E 4.2429 9.0821 116.1315 59.4493 29.2499 178.9837 78 K 4.2253 7.9336 115.4554 57.6180 32.7741 177.2859 79 L 3.8676 7.6506 122.2475 57.1354 41.5046 177.2296 80 F 4.5419 7.9758 115.6028 57.2655 39.8762 173.8653 81 H 4.0827 8.2645 120.4426 59.6680 29.0842 174.5714 82 G 3.8870 9.0090 115.6705 44.8460 0.0000 172.0737 83 V 4.2741 8.7100 120.3360 60.5433 32.8886 175.6651 84 S 4.3118 8.4607 121.9454 58.2503 63.6368 174.8814 85 M 3.9525 8.8384 122.5593 58.8262 31.3145 179.2682 86 S 4.1294 7.9438 113.0823 61.4758 63.5751 175.7801 87 E 4.2281 8.4748 121.0717 57.0488 29.3841 178.6644 88 R 4.0628 7.5350 119.3931 59.7735 30.1049 177.8590 89 C 4.2964 8.1811 117.3716 59.6987 42.4148 174.6492 90 Y 4.1159 8.0878 120.7214 60.6660 38.3487 177.3838 91 L 3.8285 8.0431 121.0970 58.8444 42.2025 178.9283 92 M 4.0843 8.8073 118.5774 58.0859 31.8791 178.6259 93 K 3.8106 8.7614 120.9802 59.7019 32.2623 178.5818 94 Q 3.8070 7.9754 118.3704 58.9061 28.6232 178.7295 95 V 3.5694 7.9883 119.3915 66.2962 31.5234 177.6442 96 L 3.9055 8.3975 119.9646 58.3511 41.7029 178.8546 97 N 4.2274 8.1694 116.0870 56.2303 38.4831 176.8384 98 F 4.1399 8.2932 122.1495 61.8671 39.4069 176.9253 99 T 3.8752 8.5846 115.2043 66.7580 68.2291 176.1546 100 L 3.2995 8.0504 120.4728 57.7524 41.4164 179.7076 101 E 4.1741 8.4270 117.3385 59.7256 29.6385 179.0331 102 E 4.0120 8.4011 117.9690 57.9794 29.6622 177.3230 103 V 4.1215 7.0366 114.5814 64.2849 33.3297 177.4068 104 L 3.9439 8.1404 118.1619 57.6936 41.7171 179.3131 105 F 4.7485 8.3408 118.2390 60.3344 38.6763 176.0542 106 P 4.2862 0.0000 0.0000 65.4790 31.4949 177.1714 107 Q 4.5752 8.4972 116.4599 55.7904 28.5899 177.7664 108 S 4.3284 7.7515 114.8106 60.8094 63.0502 174.9251 109 D 4.5234 8.0795 119.7294 55.2840 40.5088 175.3311 110 R 4.5208 7.7880 115.6725 54.1806 32.4659 174.8481 111 F 3.9814 7.9647 112.7100 58.6658 36.4015 175.9040 112 Q 4.4677 7.2663 114.5019 55.3325 29.3590 175.3262 113 P 4.5486 0.0000 0.0000 64.6942 32.3268 178.1032 114 Y 4.6608 7.3104 117.7387 60.5929 37.5533 178.0054 115 M 4.1029 8.5665 119.4786 58.9366 32.1973 178.2952 116 Q 4.1333 8.3652 115.2799 58.4602 28.9452 177.4506 117 E 4.3754 7.8127 119.5701 58.6711 30.0731 178.3959 118 V 4.0016 8.3057 118.4399 65.3969 31.7054 178.2077 119 V 3.5973 8.2107 118.4402 65.4579 31.3958 176.1008 120 P 4.3859 0.0000 0.0000 65.6365 31.2792 177.8638 121 F 4.2642 7.9438 118.4128 61.8759 39.2610 177.4030 122 L 3.5571 8.5393 118.2428 57.2156 41.4036 179.3436 123 A 4.0206 8.5256 121.4859 55.2559 18.4025 179.5974 124 R 3.9958 8.4006 116.7810 59.7345 29.9915 179.0851 125 L 3.8198 7.2461 116.9172 57.8577 41.3679 179.1559 126 S 4.2169 7.9616 112.8788 61.7138 61.9177 175.9426 127 N 4.3896 7.9613 118.4765 56.2836 38.2218 177.5082 128 R 3.8122 7.8464 119.0758 58.3692 30.4387 177.2370 129 L 4.7091 7.3283 116.4827 54.3184 42.9424 176.9866 130 S 4.6991 8.9583 116.4069 56.4607 60.7012 172.7733 131 T 4.3090 9.5939 116.9602 62.5525 72.1891 171.4799 132 C 5.0724 8.1512 115.9347 56.7042 31.8743 173.0997 133 H 3.9081 8.2062 119.2834 57.6510 28.0180 174.0039 *140 H 4.6331 8.0230 126.6663 56.1067 30.8635 172.7586 141 I 3.9928 7.8744 117.2236 64.4141 36.8079 177.9266 142 Q 4.1128 8.3078 118.5844 59.1096 28.1909 178.8566 143 R 3.9334 8.1696 118.3813 58.7394 29.9203 178.1026 144 N 4.3288 8.3423 116.1067 55.3603 39.3850 177.2439 145 V 3.3941 7.6250 119.0279 66.1863 30.7406 177.6573 146 Q 3.7728 9.5686 118.9619 58.8524 28.8342 177.7232 147 K 3.9964 7.4157 120.4316 59.5753 32.0151 178.3252 148 L 3.7629 7.7296 120.1381 58.0228 42.0202 178.9986 149 K 2.7390 7.8086 118.6427 59.3366 31.9056 179.1554 150 D 4.3604 9.2547 119.2607 57.3984 40.5640 179.0418 151 T 3.7909 7.9112 116.4991 66.7176 68.6021 176.6976 152 V 3.6523 7.9634 120.2934 66.1327 31.4187 178.2360 153 K 4.0733 8.0850 118.1713 59.0679 31.7473 179.1771 154 K 3.9104 8.2675 119.4507 59.5702 32.6321 178.4415 155 L 4.2061 8.5343 118.1780 53.9533 41.8357 179.1962 156 G 3.9122 8.7285 108.9831 46.1060 0.0000 176.2070 157 E 4.1161 8.9657 125.5215 58.7189 29.3206 177.3298 158 S 4.5079 8.1599 113.1629 60.1015 63.3112 176.5970 159 G 4.1119 7.9941 111.7468 47.2151 0.0000 175.7351 160 E 3.9807 8.1391 120.4182 59.2595 29.6133 178.8746 161 I 3.7858 7.5521 119.4984 64.6415 37.0364 178.2742 162 K 4.1930 8.4508 120.0481 58.9795 32.3249 178.2004 163 A 4.1529 8.3539 121.4291 55.4670 18.2655 179.7456 164 I 3.7786 8.1242 118.6961 64.1062 36.9939 178.3530 165 G 3.7444 8.4109 104.7701 46.0223 0.0000 173.7389 166 E 4.8157 7.3428 118.8449 55.0424 30.4580 177.8377 167 L 3.8328 7.6827 122.1949 57.7315 41.0947 178.7082 168 D 3.6690 7.7305 118.6289 56.3081 38.8152 178.7750 169 L 3.9762 7.4907 119.7579 57.3334 41.7007 178.8753 170 L 3.9501 8.7606 121.5035 58.8956 42.0081 177.9402 171 F 4.3276 9.5129 121.4414 61.1264 39.1260 176.4595 172 M 4.1313 9.6269 118.2441 58.8893 32.1595 179.1725 173 S 3.9787 8.7950 113.2042 61.2166 62.4952 175.4619 174 L 3.8263 8.2208 122.6958 58.8232 41.9321 178.3956 175 R 2.5100 7.4069 118.0656 59.3446 29.5131 177.9400 176 N 4.1012 8.0784 116.8808 55.8523 38.7387 176.5950 177 A 4.2985 7.8869 120.7733 53.0233 19.2317 176.5025 178 C 4.5272 8.1434 120.4046 57.1187 42.2815 173.8122 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 39 H 8.30 4.69 0.00 3.14 2.70 0.00 5.74 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.71 6.11 0.00 3.20 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.08 4.63 0.00 1.83 1.83 0.00 3.39 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 42 L 7.87 4.92 0.00 1.87 1.69 1.18 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 43 D 8.40 4.63 0.00 2.75 2.56 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 0.00 0.00 0.00 44 K 8.99 4.06 0.00 2.09 2.14 0.00 1.59 0.00 0.00 1.90 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.58 7.81 45 S 8.47 4.35 0.00 4.11 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 46 N 8.05 4.36 0.00 2.70 2.28 0.00 0.00 6.91 6.98 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 47 F 7.92 5.07 0.00 3.03 2.97 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 48 Q 7.83 4.62 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.15 6.95 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 49 Q 7.90 4.39 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.01 6.90 0.00 0.00 0.00 0.00 0.00 2.41 2.63 0.00 50 P 0.00 4.20 0.00 2.17 2.08 0.00 3.64 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 2.12 2.15 0.00 51 Y 8.05 4.10 0.00 3.02 2.96 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 52 I 7.57 3.31 1.66 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 1.30 0.36 -0.01 0.00 0.00 53 T 7.76 3.12 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 0.91 0.00 0.00 54 N 8.32 4.08 0.00 2.86 2.69 0.00 0.00 7.10 7.53 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 55 R 7.78 3.34 0.00 1.64 1.89 0.00 2.96 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.91 0.00 56 T 8.13 3.76 4.07 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 0.00 0.00 1.12 0.00 0.00 57 F 8.08 3.77 0.00 2.98 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 58 M 8.50 3.78 0.00 1.13 0.94 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.25 0.00 59 L 7.77 3.81 0.00 1.75 1.75 0.98 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 60 A 8.06 4.53 1.15 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 0.00 0.00 61 K 7.80 4.01 0.00 1.91 1.92 0.00 1.66 0.00 0.00 1.52 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.31 7.81 62 E 8.42 4.06 0.00 2.09 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 0.00 2.73 2.91 0.00 63 A 7.81 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 S 8.44 4.15 0.00 3.98 4.07 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 0.00 0.00 0.00 65 L 7.92 4.03 0.00 1.83 1.83 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 66 A 7.72 4.70 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 67 D 8.38 4.77 0.00 2.70 2.67 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 68 N 8.60 4.60 0.00 2.75 2.86 0.00 0.00 7.21 8.00 0.00 0.00 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 N 7.83 4.64 0.00 2.72 2.80 0.00 0.00 6.98 8.16 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 70 T 8.00 4.22 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 1.30 0.00 0.00 71 D 8.00 4.40 0.00 2.69 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 72 V 7.61 4.20 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 0.79 0.00 0.00 0.92 0.00 0.00 73 R 8.32 4.70 0.00 1.76 1.76 0.00 3.30 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 74 L 9.31 4.01 0.00 1.89 1.63 0.97 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 75 I 8.80 3.98 1.89 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 1.19 0.59 1.01 0.00 0.00 76 G 7.63 4.29 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 0.00 77 E 9.08 4.24 0.00 2.25 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 2.41 2.35 0.00 78 K 7.93 4.23 0.00 1.82 1.94 0.00 1.53 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.35 7.81 79 L 7.65 3.87 0.00 1.35 0.86 0.65 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 80 F 7.98 4.54 0.00 3.11 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 81 H 8.26 4.08 0.00 3.12 3.43 0.00 5.69 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 82 G 9.01 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 83 V 8.71 4.27 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 0.92 0.00 0.00 0.99 0.00 0.00 84 S 8.46 4.31 0.00 4.03 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 85 M 8.84 3.95 0.00 1.99 2.15 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.53 0.00 86 S 7.94 4.13 0.00 4.00 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 87 E 8.47 4.23 0.00 2.14 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 0.00 2.20 2.28 0.00 88 R 7.54 4.06 0.00 1.88 2.03 0.00 3.30 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.71 0.00 89 C 8.18 4.30 0.00 3.26 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.09 4.12 0.00 3.09 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 91 L 8.04 3.83 0.00 1.88 1.97 0.83 1.06 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 92 M 8.81 4.08 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 3.00 0.00 93 K 8.76 3.81 0.00 1.82 1.79 0.00 1.79 0.00 0.00 1.86 0.00 0.00 2.54 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.48 7.81 94 Q 7.98 3.81 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.50 0.00 0.00 0.00 0.00 0.00 1.98 2.13 0.00 95 V 7.99 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 1.01 0.00 0.00 0.81 0.00 0.00 96 L 8.40 3.91 0.00 1.80 1.89 0.89 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 97 N 8.17 4.23 0.00 2.95 2.86 0.00 0.00 6.63 7.61 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 98 F 8.29 4.14 0.00 3.11 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 99 T 8.58 3.88 4.40 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 1.13 0.00 0.00 100 L 8.05 3.30 0.00 1.58 0.86 0.84 0.27 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 0.00 101 E 8.43 4.17 0.00 1.89 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 2.50 2.52 0.00 102 E 8.40 4.01 0.00 1.16 1.30 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 0.00 2.23 2.39 0.00 103 V 7.04 4.12 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 1.20 0.00 0.00 0.63 0.00 0.00 104 L 8.14 3.94 0.00 1.21 1.57 0.80 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 105 F 8.34 4.75 0.00 3.09 2.97 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 0.00 106 P 0.00 4.29 0.00 2.04 2.12 0.00 3.78 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 107 Q 8.50 4.58 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.82 0.00 0.00 0.00 0.00 0.00 2.57 2.48 0.00 108 S 7.75 4.33 0.00 4.03 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 0.00 109 D 8.08 4.52 0.00 2.69 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 0.00 110 R 7.79 4.52 0.00 1.47 1.76 0.00 2.80 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.66 0.00 111 F 7.96 3.98 0.00 3.34 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 0.00 112 Q 7.27 4.47 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.98 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 113 P 0.00 4.55 0.00 2.09 2.02 0.00 2.43 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.93 0.00 114 Y 7.31 4.66 0.00 3.14 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 0.00 115 M 8.57 4.10 0.00 2.32 2.50 0.00 0.00 0.00 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.95 0.00 116 Q 8.37 4.13 0.00 2.32 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.64 0.00 0.00 0.00 0.00 0.00 2.83 2.46 0.00 117 E 7.81 4.38 0.00 2.35 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 0.00 2.54 2.44 0.00 118 V 8.31 4.00 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 0.99 0.00 0.00 119 V 8.21 3.60 2.25 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 1.07 0.00 0.00 1.02 0.00 0.00 120 P 0.00 4.39 0.00 2.33 2.19 0.00 3.88 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.20 0.00 121 F 7.94 4.26 0.00 3.16 3.38 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 0.00 122 L 8.54 3.56 0.00 1.74 1.57 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 123 A 8.53 4.02 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 0.00 124 R 8.40 4.00 0.00 1.98 1.97 0.00 3.20 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 125 L 7.25 3.82 0.00 1.55 1.59 0.48 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 126 S 7.96 4.22 0.00 4.06 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 0.00 127 N 7.96 4.39 0.00 2.96 2.84 0.00 0.00 7.03 7.39 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 0.00 128 R 7.85 3.81 0.00 1.74 2.04 0.00 3.16 0.00 0.00 3.40 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 129 L 7.33 4.71 0.00 2.01 1.66 0.94 0.77 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 0.00 130 S 8.96 4.70 0.00 3.83 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 0.00 131 T 9.59 4.31 4.29 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 1.25 0.00 0.00 132 C 8.15 5.07 0.00 3.03 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 0.00 133 H 8.21 3.91 0.00 3.05 3.61 0.00 5.78 0.00 0.00 0.00 0.00 6.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *140 H 8.02 4.63 0.00 3.15 3.32 0.00 5.97 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 0.00 141 I 7.87 3.99 1.95 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.34 0.93 0.00 0.00 142 Q 8.31 4.11 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.83 0.00 0.00 0.00 0.00 0.00 2.47 2.52 0.00 143 R 8.17 3.93 0.00 2.02 2.00 0.00 3.21 0.00 0.00 3.34 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 144 N 8.34 4.33 0.00 2.77 2.85 0.00 0.00 6.45 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 0.00 145 V 7.62 3.39 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 0.80 0.00 0.00 0.85 0.00 0.00 146 Q 9.57 3.77 0.00 2.21 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.50 0.00 0.00 0.00 0.00 0.00 2.31 2.55 0.00 147 K 7.42 4.00 0.00 2.09 1.74 0.00 1.53 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.45 7.81 148 L 7.73 3.76 0.00 1.56 1.59 0.80 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 149 K 7.81 2.74 0.00 1.61 1.42 0.00 1.54 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.30 1.00 7.81 150 D 9.25 4.36 0.00 2.68 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 0.00 151 T 7.91 3.79 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 1.19 0.00 0.00 152 V 7.96 3.65 2.52 0.00 0.00 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 1.18 0.00 0.00 153 K 8.09 4.07 0.00 2.06 1.87 0.00 2.01 0.00 0.00 2.04 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.57 7.81 154 K 8.27 3.91 0.00 1.82 1.98 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.63 7.81 155 L 8.53 4.21 0.00 1.94 1.79 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 156 G 8.73 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 0.00 157 E 8.97 4.12 0.00 2.06 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 2.39 2.38 0.00 158 S 8.16 4.51 0.00 4.15 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 0.00 159 G 7.99 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 0.00 0.00 0.00 160 E 8.14 3.98 0.00 2.22 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 0.00 2.40 2.43 0.00 161 I 7.55 3.79 2.03 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.04 1.03 0.00 0.00 162 K 8.45 4.19 0.00 1.82 2.02 0.00 1.66 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.45 7.81 163 A 8.35 4.15 1.45 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 0.00 0.00 0.00 164 I 8.12 3.78 1.78 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.69 0.51 0.00 0.00 165 G 8.41 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 0.00 166 E 7.34 4.82 0.00 2.09 1.88 0.00 0.00 0.00 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 2.40 0.00 167 L 7.68 3.83 0.00 1.56 1.69 0.88 0.99 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 0.00 168 D 7.73 3.67 0.00 1.58 1.74 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 0.00 169 L 7.49 3.98 0.00 1.91 1.78 0.98 0.54 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 0.00 170 L 8.76 3.95 0.00 1.73 1.96 0.94 0.87 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 0.00 171 F 9.51 4.33 0.00 3.30 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 M 9.63 4.13 0.00 2.13 2.32 0.00 0.00 0.00 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.95 3.35 0.00 173 S 8.80 3.98 0.00 4.16 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 0.00 174 L 8.22 3.83 0.00 1.96 1.67 1.00 0.07 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 0.00 175 R 7.41 2.51 0.00 0.67 1.46 0.00 3.12 0.00 0.00 3.03 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.34 0.00 176 N 8.08 4.10 0.00 2.57 2.75 0.00 0.00 7.12 6.94 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 0.00 177 A 7.89 4.30 1.28 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 0.00 0.00 0.00 178 C 8.14 4.53 0.00 2.96 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 * Residues marked with a * may have inaccurate shift predictions.