NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 S 4.3539 8.3349 115.2860 57.5863 63.7607 173.7718 14 L 3.9857 7.9650 118.0514 52.9025 42.1981 175.1451 15 S 4.7114 8.3661 116.0178 55.9528 66.3385 173.6554 16 A 3.9345 8.1456 124.0087 51.9486 18.7560 177.2153 17 Y 4.5283 8.0873 117.8856 58.5901 38.5441 176.5391 18 K 4.4290 10.0084 123.9508 57.3541 34.8230 175.8595 19 T 4.9149 8.4473 115.8537 61.7938 71.5400 172.9431 20 V 4.7156 8.9321 127.6836 60.9889 33.9330 174.5242 21 V 4.9667 8.5198 127.6240 60.9973 34.3320 174.4952 22 V 4.8955 8.9272 127.0928 59.8920 34.5712 174.6019 23 G 4.3735 8.7643 111.2323 45.3103 0.0000 172.9227 24 T 5.4249 9.1876 117.7202 59.7252 70.6750 173.1319 25 D 4.7814 9.0591 125.3135 52.9062 39.9905 177.0098 26 G 3.9651 8.2613 109.2825 45.4318 0.0000 174.4892 27 S 4.3614 7.7365 113.8318 57.9488 63.6844 174.2635 28 D 4.5079 8.6708 121.6759 57.5446 40.8701 178.3656 29 S 4.2545 8.1601 113.4538 61.4127 63.1655 177.4121 30 S 4.6960 7.8934 116.7635 57.7047 61.5392 176.0943 *32 R 4.2361 8.2046 119.0780 55.7997 32.0179 178.0447 33 A 3.9966 7.5618 119.1876 54.9478 18.1592 179.8734 34 V 3.5005 7.6154 116.7112 66.1194 31.5116 177.9792 35 D 4.3071 7.9991 118.0752 57.4992 40.9381 178.4640 36 R 3.8511 8.1125 118.8686 59.5930 30.0488 178.3978 37 A 4.0141 8.3607 120.4178 54.8240 18.2254 179.5632 38 A 3.9174 8.1385 119.7316 55.4139 18.2802 179.5684 39 Q 3.9341 8.1172 117.1266 59.4346 29.1291 178.4000 40 I 3.9588 7.5364 119.4053 64.2016 37.5347 177.9306 41 A 4.1587 8.3593 121.8889 53.9713 18.6935 178.1811 42 G 3.5694 8.9002 107.3881 47.3162 0.0000 175.1553 43 A 4.6542 8.6924 125.1385 51.9811 19.9174 176.6203 44 D 4.7514 8.1072 113.6006 53.7624 42.7924 175.8283 45 A 4.8564 7.7355 120.1965 49.9501 21.9388 175.9195 46 K 4.4362 9.1534 121.1934 55.3566 34.0022 175.0550 47 L 5.0997 9.3350 130.2782 53.4515 44.3160 174.7563 48 I 4.9531 9.0971 127.7117 59.6864 39.9298 174.5078 49 I 4.8119 8.8649 128.7832 59.7694 38.9337 174.8840 50 A 5.8390 9.1332 128.3610 49.6016 22.7850 174.8623 51 S 4.9249 8.1767 112.6810 56.7144 66.2041 172.9345 52 A 4.5984 8.6061 129.3016 51.9697 19.0455 176.2969 53 Y 4.3460 8.9277 125.6862 57.2387 38.4159 175.4954 54 L 4.1183 8.4564 127.2964 57.0453 43.8689 177.3443 55 P 3.9973 0.0000 0.0000 63.5794 29.9428 178.5530 *76 T 4.0404 8.9895 118.5865 63.5143 70.3140 173.5263 77 A 4.1147 8.7980 128.7873 52.1684 19.0432 176.2965 78 P 4.3297 0.0000 0.0000 65.7150 31.9120 178.5337 79 I 3.6458 7.8792 117.4994 64.3613 37.7316 177.3025 80 Y 4.2658 7.7686 117.0932 60.5548 37.4821 178.0844 81 E 4.0691 8.2552 120.8446 59.0565 29.7810 178.6633 82 I 3.7166 7.6919 119.4073 64.3626 37.2359 178.2388 83 L 3.9882 8.3097 120.2209 57.9295 41.4720 178.9832 84 H 4.1065 8.3015 118.1108 59.4924 29.7710 176.9802 85 D 4.3235 8.4503 120.6018 57.3283 40.6713 178.6303 86 A 3.9563 8.1297 121.2376 55.1462 18.4953 179.5957 87 K 3.8386 8.4776 118.4757 59.6011 32.2050 178.9628 88 E 3.9938 8.1467 119.0217 59.2979 29.4241 179.1951 89 R 3.8791 8.3396 118.9170 59.2065 30.1165 178.3860 90 A 3.9532 8.0788 120.6061 55.4892 18.4065 179.2891 91 H 4.7568 7.8876 115.6497 58.8053 28.6261 177.9085 92 N 4.4157 8.2179 116.3604 55.5779 38.4101 176.3672 93 A 4.4023 7.4965 120.1357 51.6307 19.2525 177.5363 94 G 3.9200 7.8673 104.1114 45.0515 0.0000 174.2459 95 A 5.0213 8.3118 124.1891 51.3503 18.9018 178.3255 96 K 4.2061 8.7485 122.6201 57.8815 33.2644 176.6748 97 N 4.8515 7.8443 117.3950 51.3912 38.3401 173.6092 98 V 5.0821 8.0409 121.8863 60.8621 34.6917 173.9619 99 E 4.9115 9.0104 123.5162 54.9911 33.1899 174.0116 100 E 5.0349 8.5365 119.3245 55.4909 32.6473 175.2533 101 R 4.4334 8.3665 118.1263 55.1940 33.9228 172.1627 102 P 4.9141 0.0000 0.0000 62.2206 32.8186 175.4212 103 I 4.4642 8.7721 124.1272 59.6776 39.2949 174.7998 104 V 4.5139 8.4488 126.4714 62.2887 33.7252 177.1663 105 G 3.6700 8.8037 113.8399 45.2662 0.0000 173.1486 106 A 3.9760 8.5017 123.5788 51.6848 19.0622 176.1543 107 P 4.1589 0.0000 0.0000 67.1109 30.9749 178.5244 108 V 3.5597 7.7351 117.7021 65.5842 31.5388 177.4861 109 D 4.3285 8.1059 117.8797 57.2523 40.6628 178.5168 110 A 3.9896 8.0602 121.3332 55.0065 18.3488 179.4037 111 L 3.8823 8.3954 119.2891 58.3260 42.1615 179.3738 112 V 3.5784 8.1003 118.5318 65.9667 31.3643 177.5427 113 N 4.2949 8.2800 116.8577 56.4195 38.7110 176.6138 114 L 3.8870 8.3930 121.9839 58.1851 42.2024 178.6336 115 A 3.9641 8.3182 121.0685 55.4404 17.9513 179.4542 116 D 4.2876 8.1366 117.1780 57.6359 40.7593 178.9208 117 E 4.0173 8.3176 118.0496 58.5815 29.5394 178.1983 118 E 4.3987 8.3162 115.9819 54.6904 30.8467 175.7408 119 K 3.7722 7.6362 117.4843 57.1853 30.2823 175.3036 120 A 4.3158 8.1862 120.5162 52.4913 19.1354 177.6295 121 D 5.0106 8.5403 118.1158 52.9979 41.3515 175.9077 122 L 4.4065 7.5397 121.2991 53.5450 45.6247 174.0262 123 L 5.2487 8.3977 125.1478 52.8994 44.6304 175.9162 124 V 4.5107 8.8887 122.6503 61.3199 34.8136 174.6421 125 V 4.7345 8.2597 118.7351 59.8285 35.9204 174.5591 126 G 3.9172 8.5015 111.8902 44.0588 0.0000 173.5791 127 N 4.4409 8.5332 122.2128 53.9268 39.6245 174.1304 128 V 4.2876 7.4298 120.0919 61.3360 33.6150 172.4127 129 G 3.9685 7.7496 108.3827 45.7965 0.0000 172.1676 130 L 4.7646 8.4000 118.6292 52.9722 44.0413 176.8748 131 S 4.4607 8.5865 116.1635 58.7954 63.6314 174.7342 132 T 4.3172 7.4461 113.0345 60.9474 71.0791 175.4896 133 I 3.6199 8.1391 120.9778 64.4856 37.1168 178.5354 134 A 4.0482 7.9917 121.0652 55.2476 18.1344 179.5222 135 G 3.6916 7.9210 102.8446 48.1219 0.0000 175.5015 136 R 4.1986 7.9797 119.7316 58.4489 30.1764 178.7578 137 L 3.9460 8.0095 119.8585 57.6921 42.2012 177.4126 138 L 4.3211 7.9493 116.1516 54.7064 41.8206 176.9246 139 G 3.9331 7.5462 109.2736 44.8453 0.0000 173.4243 140 S 4.8026 8.0975 113.2987 56.3248 66.2204 175.0634 141 V 3.5713 8.2360 123.8352 65.6083 31.3933 176.3835 142 P 4.2245 0.0000 0.0000 66.1921 31.0331 178.1055 143 A 3.9803 7.7607 120.8865 54.4872 18.2340 179.1795 144 N 4.2180 8.2195 115.6227 56.8944 39.0750 177.2797 145 V 3.5917 8.5845 120.5315 66.0610 31.6749 177.7177 146 S 4.3037 8.1457 114.2165 60.7920 62.0194 176.2715 147 R 3.9182 7.8219 120.7788 59.2819 29.6848 178.5298 148 R 3.8292 8.4177 116.8058 58.9069 30.1379 177.5962 149 A 4.4893 8.1591 118.0264 51.4543 19.6017 177.2835 150 K 3.9976 7.4204 116.2478 58.7451 29.7826 174.0607 151 V 4.5677 7.6087 118.7827 59.9363 35.1798 174.7485 152 D 4.7085 8.4078 119.9096 53.1744 42.0433 176.2971 153 V 4.3577 8.1625 121.3453 60.7962 33.8592 174.4116 154 L 4.6450 8.5331 128.2402 53.1714 43.8877 175.1048 155 I 4.3036 8.3588 126.7874 59.5380 38.5910 175.0258 156 V 4.2365 8.2486 126.0909 61.0590 32.0746 175.2444 157 H 4.4596 8.8795 123.2988 55.7187 29.1669 174.4927 158 T 4.5157 8.0546 110.9649 59.5964 70.6834 174.6156 159 T 4.0275 8.5120 113.1746 62.3097 68.4887 173.7159 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 13 S 8.33 4.35 0.00 3.83 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 14 L 7.96 3.99 0.00 1.69 1.52 0.88 0.58 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 15 S 8.37 4.71 0.00 3.91 3.79 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 16 A 8.15 3.93 1.22 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 0.00 0.00 0.00 17 Y 8.09 4.53 0.00 3.03 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 18 K 10.01 4.43 0.00 1.70 1.87 0.00 1.62 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.43 7.81 19 T 8.45 4.91 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 1.25 0.00 0.00 20 V 8.93 4.72 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 0.85 0.00 0.00 0.91 0.00 0.00 21 V 8.52 4.97 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 0.98 0.00 0.00 0.90 0.00 0.00 22 V 8.93 4.90 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 0.73 0.00 0.00 0.95 0.00 0.00 23 G 8.76 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 0.00 0.00 0.00 0.00 24 T 9.19 5.42 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 1.27 0.00 0.00 25 D 9.06 4.78 0.00 2.77 2.69 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 0.00 0.00 0.00 0.00 26 G 8.26 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 0.00 0.00 0.00 27 S 7.74 4.36 0.00 4.01 3.88 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 0.00 0.00 0.00 28 D 8.67 4.51 0.00 2.69 2.77 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 29 S 8.16 4.25 0.00 3.99 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 30 S 7.89 4.70 0.00 4.00 4.15 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 *32 R 8.20 4.24 0.00 2.13 2.00 0.00 3.18 0.00 0.00 3.34 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 33 A 7.56 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 34 V 7.62 3.50 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 1.08 0.00 0.00 0.92 0.00 0.00 35 D 8.00 4.31 0.00 2.88 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 36 R 8.11 3.85 0.00 1.92 2.06 0.00 3.16 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 37 A 8.36 4.01 1.37 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 0.00 0.00 0.00 38 A 8.14 3.92 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 39 Q 8.12 3.93 0.00 2.05 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.93 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 40 I 7.54 3.96 1.90 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 1.53 0.79 1.08 0.00 0.00 41 A 8.36 4.16 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 42 G 8.90 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 43 A 8.69 4.65 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 44 D 8.11 4.75 0.00 2.66 2.71 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 0.00 0.00 0.00 45 A 7.74 4.86 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 K 9.15 4.44 0.00 1.81 1.70 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.38 7.81 47 L 9.33 5.10 0.00 1.74 1.59 0.97 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 48 I 9.10 4.95 1.86 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 1.22 0.68 0.90 0.00 0.00 49 I 8.86 4.81 1.86 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 1.14 0.83 0.90 0.00 0.00 50 A 9.13 5.84 1.17 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 0.00 0.00 51 S 8.18 4.92 0.00 3.84 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 52 A 8.61 4.60 1.23 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 0.00 0.00 53 Y 8.93 4.35 0.00 2.75 3.01 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 54 L 8.46 4.12 0.00 1.55 1.59 0.88 1.06 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 55 P 0.00 4.00 0.00 1.73 1.58 0.00 3.32 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.97 0.00 *76 T 8.99 4.04 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 77 A 8.80 4.11 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 78 P 0.00 4.33 0.00 2.23 2.17 0.00 3.71 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.14 0.00 79 I 7.88 3.65 1.84 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 1.37 1.47 0.27 0.00 0.00 80 Y 7.77 4.27 0.00 3.32 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 81 E 8.26 4.07 0.00 2.11 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 2.49 2.38 0.00 82 I 7.69 3.72 2.05 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 1.65 0.63 0.91 0.00 0.00 83 L 8.31 3.99 0.00 1.74 1.88 0.89 0.82 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 84 H 8.30 4.11 0.00 3.39 3.57 0.00 5.79 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 85 D 8.45 4.32 0.00 2.73 2.71 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 0.00 0.00 0.00 86 A 8.13 3.96 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 87 K 8.48 3.84 0.00 1.84 2.02 0.00 1.64 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.39 7.81 88 E 8.15 3.99 0.00 2.19 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 2.31 2.15 0.00 89 R 8.34 3.88 0.00 1.98 1.91 0.00 3.09 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 90 A 8.08 3.95 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 91 H 7.89 4.76 0.00 3.41 3.33 0.00 5.65 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 92 N 8.22 4.42 0.00 2.87 2.89 0.00 0.00 7.03 6.92 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 93 A 7.50 4.40 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 94 G 7.87 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 0.00 0.00 0.00 95 A 8.31 5.02 1.32 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 0.00 0.00 96 K 8.75 4.21 0.00 1.77 1.89 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.46 7.81 97 N 7.84 4.85 0.00 2.80 2.77 0.00 0.00 6.56 7.68 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 98 V 8.04 5.08 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 0.76 0.00 0.00 0.83 0.00 0.00 99 E 9.01 4.91 0.00 2.05 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 2.19 2.26 0.00 100 E 8.54 5.03 0.00 2.02 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 2.25 2.37 0.00 101 R 8.37 4.43 0.00 1.93 1.76 0.00 3.14 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 102 P 0.00 4.91 0.00 1.86 1.71 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.92 0.00 103 I 8.77 4.46 1.98 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 1.11 1.04 0.92 0.00 0.00 104 V 8.45 4.51 2.10 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 0.84 0.00 0.00 0.98 0.00 0.00 105 G 8.80 3.67 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 0.00 106 A 8.50 3.98 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 0.00 0.00 0.00 0.00 0.00 107 P 0.00 4.16 0.00 2.26 2.35 0.00 3.70 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 108 V 7.74 3.56 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 1.14 0.00 0.00 0.92 0.00 0.00 109 D 8.11 4.33 0.00 2.87 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 0.00 110 A 8.06 3.99 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 0.00 111 L 8.40 3.88 0.00 1.85 1.83 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 112 V 8.10 3.58 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 0.93 0.00 0.00 0.97 0.00 0.00 113 N 8.28 4.29 0.00 2.96 2.97 0.00 0.00 6.85 6.00 0.00 0.00 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 L 8.39 3.89 0.00 1.84 1.83 0.92 1.07 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 0.00 115 A 8.32 3.96 1.37 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 0.00 0.00 0.00 116 D 8.14 4.29 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 0.00 117 E 8.32 4.02 0.00 1.93 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 2.53 2.49 0.00 118 E 8.32 4.40 0.00 2.06 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 0.00 2.27 2.46 0.00 119 K 7.64 3.77 0.00 1.86 1.85 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.37 7.81 120 A 8.19 4.32 1.19 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 0.00 0.00 121 D 8.54 5.01 0.00 2.85 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 0.00 122 L 7.54 4.41 0.00 0.43 0.98 0.49 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 123 L 8.40 5.25 0.00 1.47 1.47 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 124 V 8.89 4.51 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 1.02 0.00 0.00 0.84 0.00 0.00 125 V 8.26 4.73 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 0.70 0.00 0.00 nan 0.00 0.00 126 G 8.50 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 0.00 0.00 0.00 127 N 8.53 4.44 0.00 2.67 2.73 0.00 0.00 6.93 7.71 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 0.00 128 V 7.43 4.29 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 0.67 0.00 0.00 0.92 0.00 0.00 129 G 7.75 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 0.00 0.00 0.00 130 L 8.40 4.76 0.00 1.60 1.55 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 131 S 8.59 4.46 0.00 3.97 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 0.00 132 T 7.45 4.32 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 0.00 133 I 8.14 3.62 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 1.57 0.56 0.91 0.00 0.00 134 A 7.99 4.05 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 0.00 135 G 7.92 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 R 7.98 4.20 0.00 1.95 1.97 0.00 3.29 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.77 0.00 137 L 8.01 3.95 0.00 1.86 1.69 0.92 1.04 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 0.00 138 L 7.95 4.32 0.00 1.74 1.68 0.92 0.79 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 0.00 139 G 7.55 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 0.00 0.00 0.00 140 S 8.10 4.80 0.00 4.04 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 0.00 141 V 8.24 3.57 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 1.08 0.00 0.00 0.93 0.00 0.00 142 P 0.00 4.22 0.00 2.30 2.31 0.00 3.65 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 143 A 7.76 3.98 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 0.00 144 N 8.22 4.22 0.00 3.05 2.90 0.00 0.00 6.81 7.33 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 0.00 145 V 8.58 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 0.99 0.00 0.00 0.96 0.00 0.00 146 S 8.15 4.30 0.00 3.98 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 0.00 147 R 7.82 3.92 0.00 2.06 2.04 0.00 3.15 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 1.62 1.66 0.00 148 R 8.42 3.83 0.00 2.00 1.98 0.00 3.18 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 149 A 8.16 4.49 1.24 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 0.00 0.00 150 K 7.42 4.00 0.00 1.79 1.93 0.00 1.65 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.36 7.81 151 V 7.61 4.57 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 0.83 0.00 0.00 0.94 0.00 0.00 152 D 8.41 4.71 0.00 2.67 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 0.00 153 V 8.16 4.36 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 0.81 0.00 0.00 0.98 0.00 0.00 154 L 8.53 4.65 0.00 1.62 1.54 0.96 1.13 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 0.00 155 I 8.36 4.30 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 1.31 0.76 0.93 0.00 0.00 156 V 8.25 4.24 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 0.86 0.00 0.00 0.99 0.00 0.00 157 H 8.88 4.46 0.00 3.33 3.29 0.00 5.55 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 0.00 158 T 8.05 4.52 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 1.21 0.00 0.00 159 T 8.51 4.03 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 1.19 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.