NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4678 8.3049 118.3256 55.4405 32.9467 174.1797 2 T 4.0573 7.6152 114.4821 62.3543 69.9943 170.7363 3 E 4.8970 9.1579 126.0890 54.5498 32.7611 174.2205 4 Y 5.2885 8.8399 123.5705 56.2497 41.9215 174.6775 5 K 4.9101 9.3229 123.5580 55.0074 34.1789 175.0416 6 L 4.9337 8.7040 126.0017 52.9943 44.2416 176.0667 7 V 4.5633 8.5652 123.2319 61.0940 33.7336 174.2807 8 V 4.5255 8.1797 128.3352 62.0415 32.8606 175.2156 9 V 4.4016 9.8048 120.3894 58.7160 36.1901 175.1086 10 G 4.0583 7.8128 112.4571 44.2493 0.0000 171.8528 11 A 4.6184 7.4618 122.2223 51.1310 18.8720 177.6661 12 G 3.6999 8.6555 110.0232 47.1754 0.0000 173.7373 13 G 3.9118 8.8393 110.9142 46.4558 0.0000 174.8052 14 V 3.8778 7.2309 112.5545 61.3733 32.2236 177.2458 15 G 4.2580 8.5239 109.2619 45.5875 0.0000 175.6400 16 K 3.8350 8.5681 120.6051 59.5582 31.9702 179.1605 17 S 4.7282 8.2708 115.5427 61.0743 62.6567 176.1049 18 A 4.0515 8.0958 121.6897 55.4898 18.3052 179.1930 19 L 4.0921 7.9862 116.9586 58.2877 41.7615 179.5409 20 T 3.7069 7.7749 115.0580 67.1128 68.5235 176.7215 21 I 3.7548 8.0499 121.1406 63.8564 36.9738 178.1929 22 Q 4.1506 8.0317 120.8860 58.5620 28.6338 177.4670 23 L 3.9210 7.5740 120.2245 57.3820 42.3248 178.1800 24 I 4.0534 7.4197 118.8613 63.0908 37.6274 177.0731 25 Q 4.5370 8.0180 117.4273 56.1372 29.4878 175.7772 26 N 4.8804 8.6908 112.3348 52.9729 36.1668 173.4675 27 H 4.9031 7.5230 111.8793 54.3319 31.8714 172.5159 28 F 4.8944 8.5747 122.9188 57.2423 40.7887 177.9209 29 V 3.6598 7.8059 121.8804 60.6577 31.2341 174.8824 *38 D 4.5418 8.4884 124.2144 55.1536 42.6361 174.9433 39 S 5.1019 8.2877 118.1223 56.9509 65.8861 172.9763 40 Y 4.7995 8.5806 118.9232 56.9871 42.3319 174.3794 41 R 5.0912 8.2147 122.1421 53.7699 33.7390 175.3788 42 K 4.1476 7.9576 116.2341 55.9535 35.6011 173.2317 43 Q 4.6124 8.9456 129.6232 55.6388 30.0160 175.0132 44 V 4.5617 8.5301 117.9035 60.3166 36.9902 172.9491 45 V 4.7514 8.2903 122.5224 61.2459 33.2904 174.9069 46 I 4.1250 8.1319 128.5770 60.3376 39.2255 175.0806 47 D 4.2482 9.7235 126.1364 55.3282 37.9036 175.0656 48 G 4.1916 8.2783 113.8332 45.2541 0.0000 173.9642 49 E 3.8422 7.7644 119.9513 56.3268 29.9532 175.6706 50 T 4.9715 8.1751 119.2873 60.9875 69.8693 172.7941 51 C 4.9514 8.7740 121.1603 57.3635 33.8145 172.0499 52 L 4.9215 8.6354 122.5472 53.6395 43.5150 175.0702 53 L 4.7165 8.8731 127.3970 53.7804 43.2215 175.4666 54 D 5.0692 9.2251 126.5076 52.9162 41.8804 174.4589 55 I 4.7775 8.7561 127.6337 59.7260 38.8079 174.7732 56 L 4.9109 8.6378 130.5981 53.2902 43.3285 174.4455 57 D 4.8957 8.6000 127.1996 54.2605 42.2043 175.6981 58 T 4.7351 7.9043 115.2946 59.5311 71.5197 174.0701 59 A 4.2564 8.3972 124.1265 51.8363 19.1097 178.5633 60 G 4.3175 8.2671 109.1666 45.4563 0.0000 174.8586 *70 Q 4.1979 8.1973 121.9419 55.8262 30.4408 175.7986 71 Y 4.4861 6.5914 113.4159 58.4535 38.4479 176.2199 72 M 4.6228 8.0582 119.0264 56.0617 33.2402 176.7662 73 R 4.2610 7.7475 118.3158 57.9979 30.7403 177.4552 74 T 4.1741 8.1312 107.3416 64.2391 69.5155 175.7015 75 G 3.6735 7.1881 110.4927 46.0128 0.0000 172.5804 76 E 4.3448 9.0474 121.8823 57.0349 31.1148 176.9366 77 G 4.1768 7.5763 104.8633 44.1688 0.0000 171.7001 78 F 5.4134 9.0764 120.9078 55.4302 42.7313 174.6695 79 L 4.8323 8.9764 123.5623 53.2591 43.1156 175.1285 80 C 4.6360 8.8293 123.0015 59.1192 28.8086 173.0453 81 V 5.0270 8.3095 124.6617 61.3627 33.3735 174.8306 82 F 5.1566 8.6938 119.2799 55.7253 41.7947 172.8018 83 A 5.0303 8.8364 122.6870 50.7585 20.4025 178.5167 84 I 4.1270 8.6428 114.4763 62.4733 38.0606 177.0037 85 N 4.9552 8.0329 117.0707 51.8363 37.1131 175.0805 86 N 4.8456 8.1167 117.2101 51.6026 40.6582 174.4284 87 T 3.9475 8.4239 124.8101 66.3464 68.7646 175.9910 88 K 4.2605 8.3754 122.5524 59.0532 32.0959 178.7096 89 S 4.3069 8.2369 112.9058 61.5187 62.7906 175.8966 90 F 3.9905 7.9801 123.7792 61.0230 39.0732 177.0293 91 E 3.8716 8.3661 117.6233 58.5568 29.3566 178.2313 92 D 4.6074 8.0451 118.3462 55.4158 41.1130 178.3075 93 I 3.8623 7.2601 121.4157 64.9108 37.1651 177.2091 94 H 4.2956 8.2373 119.5586 58.6349 29.4702 176.4491 95 Q 3.7913 7.8211 120.4266 59.5449 28.3247 178.1496 96 Y 4.0312 7.5715 116.9615 60.9967 37.9692 178.0073 97 R 3.7029 8.3613 120.0741 59.6843 29.9657 178.3783 98 E 3.8177 8.0121 117.9623 59.3644 29.5482 178.9309 99 Q 3.9159 8.0497 119.4999 59.1685 28.7180 178.5494 100 I 3.4492 7.7278 120.6632 64.0191 37.5214 177.7282 101 K 3.7961 8.0156 120.5220 59.9700 31.7304 178.1368 102 R 4.0406 8.0870 119.2462 58.8521 30.0123 180.1563 103 V 4.1996 7.6357 112.6900 60.7560 30.8317 177.4965 104 K 4.1806 9.0892 115.4446 59.5349 34.8455 177.8989 105 D 4.2451 7.6882 116.0209 55.1703 37.1241 175.3612 106 S 4.6306 7.5331 113.5716 57.0972 66.1520 173.6444 107 D 4.4824 8.7343 126.7389 55.8273 41.0981 176.0271 108 D 4.6872 7.8723 117.9046 51.4068 41.0195 174.9611 109 V 4.4090 8.1346 123.2449 59.6456 34.4600 173.1286 110 P 4.3216 0.0000 0.0000 64.0386 32.0175 174.7537 111 M 4.9474 8.1496 120.6962 55.1422 35.2742 173.8130 112 V 4.5359 8.4655 123.7104 60.9875 35.5067 173.9591 113 L 4.9277 9.0540 130.2874 54.6551 43.6953 175.3629 114 V 4.7625 9.5284 126.1829 61.1114 34.7533 174.3790 115 G 3.3960 8.6598 116.0329 44.5143 0.0000 172.6479 116 N 5.5977 8.5076 126.6645 51.4709 41.5085 174.4978 117 K 4.0312 8.6768 116.4430 57.3466 29.1307 177.3129 118 C 4.4238 8.1783 110.3271 59.2119 29.2607 173.4421 119 D 4.5105 7.8827 119.6148 53.9242 39.6318 176.3893 120 L 4.3694 7.5240 119.7104 53.9388 43.1691 175.7727 121 A 4.5231 8.2834 120.3797 52.4716 20.4933 177.6300 122 A 4.3089 7.6640 120.8476 50.6471 17.0971 174.9468 123 R 4.8555 7.7283 120.4752 54.3360 31.7386 175.9645 124 T 4.4146 8.8339 114.4149 61.1190 69.6724 173.9995 125 V 4.2150 7.4328 121.5886 60.8194 33.2792 174.8619 126 E 4.1822 9.0185 127.7411 56.3272 30.2659 178.7082 127 S 4.2086 8.6096 117.3398 61.7303 63.0398 176.7929 128 R 4.0466 8.0530 120.9700 59.5138 29.4656 178.5432 129 Q 3.8596 7.6499 117.6131 58.8732 28.6861 178.4093 130 A 4.0687 7.5580 121.2641 54.9527 18.2656 179.4088 131 Q 3.8524 8.3048 116.8754 59.2538 28.8672 178.6106 132 D 4.3298 7.7420 119.2234 57.6341 40.7112 178.9969 133 L 3.5976 7.3865 118.7918 57.8567 42.1962 178.5987 134 A 4.2667 8.0496 120.9954 55.1886 18.4757 179.8203 135 R 3.8764 8.3009 117.2413 59.3431 29.9840 179.2583 136 S 4.2966 7.9364 112.1819 60.5278 63.0099 175.0025 137 Y 4.8556 7.5936 119.1115 58.1513 38.6365 177.2179 138 G 4.1486 9.0957 106.6984 44.7344 0.0000 172.8056 139 I 4.5679 7.2655 112.1566 58.5410 40.0991 173.7733 140 P 4.6936 0.0000 0.0000 62.6290 32.8881 174.5125 141 Y 5.4247 8.5321 122.4617 56.1216 41.3113 174.7983 142 I 4.3371 8.1950 125.9026 59.5121 41.9475 173.7694 143 E 4.9001 8.3320 125.0053 54.9925 31.3172 175.3824 144 T 4.7591 8.6329 112.9791 60.0922 73.1822 173.0300 145 S 4.7055 8.7476 116.4427 56.2885 64.4317 174.4171 146 A 4.0753 8.5077 130.4468 53.7598 18.3063 178.4157 147 K 2.6818 7.2257 116.9039 58.5167 32.7003 177.4402 148 T 4.1141 7.6563 106.6398 60.8919 68.8379 175.3420 149 R 3.6621 7.7758 119.7967 57.0695 30.0606 175.5806 150 Q 4.0398 7.8048 118.3335 58.0817 29.5836 177.9137 151 G 3.9425 8.8162 111.7010 46.4238 0.0000 175.3415 152 V 3.5931 7.2917 118.8548 66.0637 31.1243 177.7571 153 E 3.5943 7.8881 117.4803 58.9386 29.6674 178.0364 154 D 4.3758 8.0414 118.1968 57.6631 40.8806 178.4087 155 A 3.8437 7.9025 120.6442 55.6890 18.1711 179.7306 156 F 3.9920 7.7659 114.8482 60.8444 39.0797 177.6899 157 Y 4.5962 8.4012 116.6606 61.0819 37.5892 178.3850 158 T 3.9522 8.4538 117.6333 66.4665 68.3488 176.4330 159 L 3.8961 7.6665 121.2283 58.0309 42.2707 179.1009 160 V 3.4017 7.5535 118.0670 66.0548 31.1661 178.2960 161 R 3.9379 8.0086 117.6707 59.2904 29.7416 178.9635 162 E 4.0730 8.3094 118.6881 59.3336 29.5311 179.2669 163 I 3.8801 7.6163 119.7187 63.8370 36.9459 178.1208 164 R 4.2453 7.2506 116.2581 57.9009 29.9208 177.5519 165 Q 4.4552 7.3939 117.0696 56.0657 28.8172 175.4404 166 H 4.4738 7.9554 123.2031 56.0255 29.5991 173.3140 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 1 M 8.30 4.47 0.00 1.99 2.31 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 2 T 7.62 4.06 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 3 E 9.16 4.90 0.00 1.85 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 2.15 2.26 0.00 4 Y 8.84 5.29 0.00 2.96 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 5 K 9.32 4.91 0.00 1.69 1.73 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.42 7.81 6 L 8.70 4.93 0.00 1.70 1.59 1.17 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.57 4.56 1.85 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 1.22 0.00 0.00 0.61 0.00 0.00 8 V 8.18 4.53 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 0.84 0.00 0.00 0.98 0.00 0.00 9 V 9.80 4.40 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 0.77 0.00 0.00 0.84 0.00 0.00 10 G 7.81 4.06 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 0.00 0.00 0.00 11 A 7.46 4.62 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 G 8.66 3.70 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 0.00 0.00 0.00 13 G 8.84 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 14 V 7.23 3.88 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 0.84 0.00 0.00 0.97 0.00 0.00 15 G 8.52 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 0.00 0.00 0.00 0.00 16 K 8.57 3.83 0.00 1.80 1.87 0.00 1.62 0.00 0.00 1.81 0.00 0.00 3.08 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.48 1.52 7.81 17 S 8.27 4.73 0.00 3.87 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 18 A 8.10 4.05 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.99 4.09 0.00 1.98 1.92 0.85 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.77 3.71 4.14 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 0.28 0.00 0.00 21 I 8.05 3.75 1.97 0.00 0.00 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 1.51 0.72 0.92 0.00 0.00 22 Q 8.03 4.15 0.00 2.36 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 23 L 7.57 3.92 0.00 1.21 1.34 0.59 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.42 4.05 1.87 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 1.50 0.86 1.04 0.00 0.00 25 Q 8.02 4.54 0.00 2.31 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 6.20 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 26 N 8.69 4.88 0.00 2.77 2.99 0.00 0.00 7.07 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 27 H 7.52 4.90 0.00 3.39 3.21 0.00 5.57 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.57 4.89 0.00 2.84 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 29 V 7.81 3.66 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 0.64 0.00 0.00 0.73 0.00 0.00 *38 D 8.49 4.54 0.00 2.88 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 39 S 8.29 5.10 0.00 3.80 3.76 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 40 Y 8.58 4.80 0.00 2.98 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 41 R 8.21 5.09 0.00 1.68 1.83 0.00 3.48 0.00 0.00 3.85 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.37 0.00 42 K 7.96 4.15 0.00 1.83 1.60 0.00 1.60 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.27 1.38 7.81 43 Q 8.95 4.61 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.51 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 44 V 8.53 4.56 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 0.69 0.00 0.00 1.04 0.00 0.00 45 V 8.29 4.75 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 0.86 0.00 0.00 0.91 0.00 0.00 46 I 8.13 4.13 1.76 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 0.32 0.52 0.61 0.00 0.00 47 D 9.72 4.25 0.00 2.79 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.28 4.19 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 0.00 49 E 7.76 3.84 0.00 2.01 1.87 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 2.37 2.32 0.00 50 T 8.18 4.97 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 1.18 0.00 0.00 51 C 8.77 4.95 0.00 2.86 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 8.64 4.92 0.00 1.73 1.51 0.95 0.96 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 53 L 8.87 4.72 0.00 1.88 1.64 1.13 1.04 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 54 D 9.23 5.07 0.00 2.73 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 55 I 8.76 4.78 1.87 0.00 0.00 0.50 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 0.68 0.96 0.00 0.00 56 L 8.64 4.91 0.00 1.80 1.58 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 57 D 8.60 4.90 0.00 2.88 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 58 T 7.90 4.74 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 1.10 0.00 0.00 59 A 8.40 4.26 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 60 G 8.27 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 0.00 0.00 0.00 0.00 *70 Q 8.20 4.20 0.00 1.75 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.93 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 71 Y 6.59 4.49 0.00 3.17 3.28 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 72 M 8.06 4.62 0.00 2.25 2.37 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.98 2.86 0.00 73 R 7.75 4.26 0.00 1.77 2.10 0.00 3.27 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 74 T 8.13 4.17 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 1.32 0.00 0.00 75 G 7.19 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 76 E 9.05 4.34 0.00 1.92 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 2.30 2.26 0.00 77 G 7.58 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 F 9.08 5.41 0.00 2.93 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 79 L 8.98 4.83 0.00 1.44 1.46 0.12 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 80 C 8.83 4.64 0.00 2.97 2.94 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 0.00 0.00 0.00 0.00 81 V 8.31 5.03 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 0.71 0.00 0.00 0.88 0.00 0.00 82 F 8.69 5.16 0.00 3.29 3.18 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 0.00 0.00 0.00 0.00 83 A 8.84 5.03 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 84 I 8.64 4.13 1.93 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 1.35 1.19 0.90 0.00 0.00 85 N 8.03 4.96 0.00 2.94 2.96 0.00 0.00 6.07 8.04 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 86 N 8.12 4.85 0.00 2.84 2.81 0.00 0.00 7.22 7.45 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 87 T 8.42 3.95 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 88 K 8.38 4.26 0.00 1.86 1.87 0.00 1.80 0.00 0.00 1.88 0.00 0.00 3.22 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.69 1.39 7.81 89 S 8.24 4.31 0.00 4.24 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 90 F 7.98 3.99 0.00 2.77 3.21 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 0.00 0.00 0.00 91 E 8.37 3.87 0.00 2.24 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 2.36 2.59 0.00 92 D 8.05 4.61 0.00 2.99 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 93 I 7.26 3.86 1.68 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.69 1.00 0.00 0.00 94 H 8.24 4.30 0.00 3.22 3.30 0.00 5.92 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 7.82 3.79 0.00 2.06 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.14 2.27 0.00 96 Y 7.57 4.03 0.00 3.11 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 97 R 8.36 3.70 0.00 1.51 2.03 0.00 2.74 0.00 0.00 2.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.43 0.00 98 E 8.01 3.82 0.00 2.05 1.87 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 2.18 2.25 0.00 99 Q 8.05 3.92 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.83 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 100 I 7.73 3.45 1.71 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.55 0.28 0.00 0.00 101 K 8.02 3.80 0.00 1.82 1.90 0.00 1.59 0.00 0.00 1.50 0.00 0.00 2.78 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.71 7.81 102 R 8.09 4.04 0.00 2.04 1.95 0.00 3.12 0.00 0.00 3.13 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 103 V 7.64 4.20 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 0.70 0.00 0.00 1.02 0.00 0.00 104 K 9.09 4.18 0.00 1.65 1.78 0.00 2.06 0.00 0.00 1.90 0.00 0.00 3.13 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.42 7.81 105 D 7.69 4.25 0.00 2.73 2.93 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 0.00 106 S 7.53 4.63 0.00 3.93 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.73 4.48 0.00 2.72 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 0.00 108 D 7.87 4.69 0.00 2.72 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.13 4.41 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 1.05 0.00 0.00 0.94 0.00 0.00 110 P 0.00 4.32 0.00 2.29 2.01 0.00 3.80 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.20 0.00 111 M 8.15 4.95 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 112 V 8.47 4.54 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 0.91 0.00 0.00 0.93 0.00 0.00 113 L 9.05 4.93 0.00 2.05 2.00 1.24 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 114 V 9.53 4.76 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 0.72 0.00 0.00 0.79 0.00 0.00 115 G 8.66 3.40 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 0.00 116 N 8.51 5.60 0.00 2.70 2.68 0.00 0.00 7.08 5.83 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 0.00 117 K 8.68 4.03 0.00 1.99 1.87 0.00 2.18 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.40 1.34 7.81 118 C 8.18 4.42 0.00 3.02 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 0.00 119 D 7.88 4.51 0.00 2.78 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 0.00 120 L 7.52 4.37 0.00 1.64 1.64 0.93 0.74 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 0.00 121 A 8.28 4.52 1.25 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 0.00 0.00 122 A 7.66 4.31 1.29 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 0.00 123 R 7.73 4.86 0.00 1.78 1.83 0.00 3.19 0.00 0.00 3.40 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 124 T 8.83 4.41 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 1.22 0.00 0.00 125 V 7.43 4.22 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 -0.07 0.00 0.00 0.82 0.00 0.00 126 E 9.02 4.18 0.00 2.01 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 2.42 2.36 0.00 127 S 8.61 4.21 0.00 3.92 4.06 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 0.00 128 R 8.05 4.05 0.00 1.90 1.90 0.00 3.22 0.00 0.00 3.33 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 129 Q 7.65 3.86 0.00 2.05 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 130 A 7.56 4.07 0.55 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 0.00 0.00 131 Q 8.30 3.85 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.68 0.00 0.00 0.00 0.00 0.00 2.47 2.55 0.00 132 D 7.74 4.33 0.00 2.83 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 0.00 133 L 7.39 3.60 0.00 1.42 1.75 0.40 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.05 4.27 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.30 3.88 0.00 1.99 1.98 0.00 3.14 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 136 S 7.94 4.30 0.00 3.89 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 0.00 137 Y 7.59 4.86 0.00 3.26 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 0.00 138 G 9.10 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 0.00 0.00 0.00 139 I 7.27 4.57 2.11 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.90 1.01 0.00 0.00 140 P 0.00 4.69 0.00 2.13 2.04 0.00 3.70 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 141 Y 8.53 5.42 0.00 2.96 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 0.00 142 I 8.19 4.34 1.69 0.00 0.00 0.80 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 0.44 0.74 0.00 0.00 143 E 8.33 4.90 0.00 1.67 1.72 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 1.94 2.02 0.00 144 T 8.63 4.76 4.14 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 1.09 0.00 0.00 145 S 8.75 4.71 0.00 3.76 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 0.00 146 A 8.51 4.08 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 0.00 147 K 7.23 2.68 0.00 0.79 1.29 0.00 1.67 0.00 0.00 1.59 0.00 0.00 3.00 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.09 0.83 7.81 148 T 7.66 4.11 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 1.10 0.00 0.00 149 R 7.78 3.66 0.00 1.91 1.94 0.00 3.08 0.00 0.00 3.07 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.51 0.00 150 Q 7.80 4.04 0.00 2.07 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.56 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 151 G 8.82 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 V 7.29 3.59 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 1.06 0.00 0.00 0.91 0.00 0.00 153 E 7.89 3.59 0.00 1.90 1.63 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 1.90 2.21 0.00 154 D 8.04 4.38 0.00 2.65 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 0.00 155 A 7.90 3.84 1.10 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 0.00 156 F 7.77 3.99 0.00 3.04 3.09 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 0.00 0.00 0.00 0.00 157 Y 8.40 4.60 0.00 3.03 2.94 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 0.00 0.00 0.00 0.00 158 T 8.45 3.95 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 1.22 0.00 0.00 159 L 7.67 3.90 0.00 1.56 1.86 0.96 0.95 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 0.00 160 V 7.55 3.40 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 0.74 0.00 0.00 1.00 0.00 0.00 161 R 8.01 3.94 0.00 2.02 1.97 0.00 3.20 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.01 0.00 162 E 8.31 4.07 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 2.47 2.50 0.00 163 I 7.62 3.88 1.61 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.08 0.85 0.00 0.00 164 R 7.25 4.25 0.00 2.00 2.00 0.00 3.16 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.75 0.00 165 Q 7.39 4.46 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.74 0.00 0.00 0.00 0.00 0.00 2.60 2.53 0.00 166 H 7.96 4.47 0.00 3.34 3.15 0.00 5.69 0.00 0.00 0.00 0.00 6.91 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.