NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 29 M 4.2548 8.1627 120.5736 55.2515 33.8748 173.7714 30 E 4.5871 8.6982 127.1576 55.2535 30.7294 173.8416 31 L 4.8437 9.9472 127.7242 53.2567 46.1710 175.0244 32 T 4.8777 8.2051 118.4532 62.0056 70.7546 175.0007 33 L 4.7450 8.8890 128.3598 53.6879 43.2062 177.2955 34 Y 4.2061 8.7851 116.9996 59.9861 37.6965 176.7451 35 N 4.4020 7.1166 115.5905 52.0952 37.4043 176.0278 36 G 3.8829 7.9749 107.4964 45.7103 0.0000 174.0367 37 E 4.0897 8.1298 122.0099 56.0629 30.6788 175.7560 38 K 5.0184 8.4615 125.6209 55.4774 34.0732 175.9605 39 K 4.4777 8.7751 123.7205 55.5105 36.0592 174.6788 40 T 4.8372 8.2693 123.7526 62.6734 69.6120 174.0803 41 F 4.8027 9.0074 124.0874 55.8518 42.2673 174.4132 42 Y 5.1768 8.6450 118.7104 56.0627 40.4053 176.2201 43 S 4.5638 9.0064 119.3398 58.9457 63.7127 173.8251 44 R 4.7725 8.3702 122.9245 53.6532 32.6833 173.9897 45 P 4.4803 0.0000 0.0000 62.5626 32.8959 175.8337 46 N 4.9350 8.6412 119.2121 51.7846 38.8767 173.3595 47 N 4.9187 8.5334 118.1029 52.9581 40.1477 174.6120 48 H 4.9092 8.2403 115.9561 56.0537 30.0327 172.5157 49 D 4.5099 8.3055 113.9737 55.8846 39.6076 173.1698 50 N 4.4011 8.6238 110.5810 52.2276 38.2772 176.9594 51 A 4.3068 8.5094 125.0924 55.3413 18.3491 179.8600 52 W 4.1069 8.0857 114.8528 59.6886 28.0980 178.2456 53 L 3.2416 5.7685 120.4928 57.4692 41.4534 178.3961 54 N 4.1987 7.9759 116.4928 56.0730 38.4011 177.3188 55 A 4.0178 8.1066 122.4456 55.1451 18.5006 179.6749 56 I 3.4176 7.5522 118.3329 64.4676 37.0440 178.6739 57 L 3.9183 8.0302 120.1088 57.8361 41.3421 179.6700 58 Q 3.7985 8.0607 118.0290 58.5515 28.5800 178.4481 59 L 3.7035 7.5739 121.2961 58.2056 42.1555 179.0672 60 F 4.4976 8.5315 118.1707 60.5360 38.9050 177.6004 61 R 3.5332 7.9709 118.7018 59.4195 29.5538 177.8749 62 Y 4.2399 8.0579 118.3225 60.5904 38.9660 177.6711 63 V 4.1466 7.8882 109.6900 60.1237 32.4110 175.5816 64 E 3.6462 7.7901 116.7262 57.2026 27.2190 174.5848 65 E 4.0801 8.4056 119.8033 55.1491 30.3995 174.7186 66 P 4.5378 0.0000 0.0000 64.9810 32.0694 178.2995 67 F 3.9489 7.9557 120.6626 61.0160 39.3452 177.4971 68 F 5.0167 8.1805 118.4902 56.9689 39.6652 177.5105 69 D 4.5566 8.6318 124.5582 56.1763 38.8765 177.4171 70 W 4.2526 8.2310 117.0793 59.0180 28.3094 178.2253 71 V 3.2403 6.6979 119.4343 65.8047 30.7044 177.3557 72 Y 3.9682 7.7733 117.3439 60.4725 38.8154 176.4852 73 S 4.5300 8.1960 113.2576 58.4364 63.2272 174.0508 74 S 4.3637 7.4703 116.4595 57.3198 62.5680 172.5321 75 P 4.3330 0.0000 0.0000 63.7839 31.4112 175.8424 76 E 4.5353 7.7038 117.6422 54.1487 31.9325 175.5578 77 N 4.4966 8.4358 119.2758 53.3324 38.2751 174.5287 78 L 4.5906 8.0841 125.4003 54.8695 42.1581 178.2385 79 T 3.6509 7.7777 118.4363 67.0751 68.3256 175.9940 80 L 3.9400 7.7492 119.8504 57.8622 41.6071 179.3867 81 E 4.0751 8.1688 117.8713 59.2154 29.4510 179.0162 82 A 3.9835 7.9963 120.8705 55.1355 18.3750 179.6788 83 I 3.8282 8.0488 118.7147 64.4905 37.2672 178.4948 84 K 4.0093 8.1219 120.4040 59.6944 32.0355 178.5998 85 Q 4.1320 8.5318 119.8675 59.2867 28.9591 178.1363 86 L 4.2952 8.7279 120.5298 57.8227 41.5873 179.2853 87 E 4.1347 8.9513 119.0366 59.6810 29.2086 179.1671 88 D 4.4017 8.0037 117.6661 57.2296 40.9360 178.3560 89 L 4.3358 7.9278 118.6764 56.5105 41.9433 178.2500 90 T 4.5212 8.2842 108.0469 60.6481 70.0238 175.6718 91 G 3.9116 8.2472 109.1233 45.6886 0.0000 173.0764 92 L 4.5998 7.4156 118.2854 52.6762 43.6548 175.4862 93 E 4.5059 8.4417 121.8893 55.2159 30.3773 175.8040 94 L 4.9058 9.3056 125.7285 53.8706 42.8048 177.2155 95 H 4.6448 8.8120 116.6416 57.0433 29.5873 175.3495 96 E 4.6980 8.0206 117.9287 55.1224 29.6692 175.2486 97 G 4.1242 9.5460 105.3147 45.4738 0.0000 171.6416 98 G 2.7462 7.2030 105.5956 42.7104 0.0000 172.3041 99 P 4.5569 0.0000 0.0000 60.5039 32.0367 174.2994 100 P 4.3617 0.0000 0.0000 66.1519 31.1095 178.1080 101 A 4.0269 7.9555 119.9497 54.6106 18.2938 179.2726 102 L 3.9499 7.8174 118.4396 58.2047 42.1076 178.8582 103 V 3.6281 7.7359 117.1277 66.3720 31.6039 177.6938 104 I 3.9244 7.9803 119.2220 64.1103 36.8207 178.2114 105 W 4.0837 8.4256 129.1453 60.6753 30.3926 177.7166 106 N 4.5615 8.7091 115.0842 54.8207 38.2168 175.7527 107 I 4.2171 7.2211 113.0842 59.8266 38.4900 177.1602 108 K 3.6240 7.6396 123.1041 60.5593 32.0371 178.4245 109 H 4.2363 7.8407 112.5934 56.9870 28.5911 175.5531 110 L 4.3516 7.4906 119.4580 54.6012 42.0498 176.1997 111 L 4.5889 7.0137 119.1262 53.0761 43.3663 176.3426 112 H 4.2395 8.9433 121.6355 59.3477 30.1564 176.4288 113 T 3.9299 8.4701 116.1702 63.0890 68.9681 174.2678 114 G 3.8528 8.4059 113.1732 45.6185 0.0000 172.1652 115 I 4.9845 8.3131 125.2632 59.6671 39.6931 175.2394 116 G 4.4113 9.1539 114.9739 45.3729 0.0000 170.7189 117 T 5.3494 8.7946 109.6668 58.3382 72.2152 175.0824 118 A 4.2827 8.8370 123.0448 55.5054 18.3193 179.4953 119 S 4.3155 8.4020 110.7729 60.9948 63.3121 174.8789 120 R 4.6104 8.1889 119.6739 53.1173 30.1744 172.9521 121 P 4.7659 0.0000 0.0000 62.1234 32.6734 176.4306 122 S 4.4407 7.9495 113.1599 57.5297 64.8018 173.1985 123 E 4.0369 9.0611 118.7103 58.9538 29.9896 178.6525 124 V 4.5730 7.9980 118.6348 61.0802 34.9185 174.2185 125 C 5.1901 8.6073 124.1636 57.9224 31.5155 173.4208 126 V 4.5437 8.5715 116.5203 59.9992 33.2398 176.1395 127 V 4.0470 8.4134 118.4228 61.2263 32.0942 175.8620 128 D 4.6684 8.8379 121.9911 52.9626 39.9431 176.6879 129 G 3.9534 8.4221 107.6015 45.8056 0.0000 174.5146 130 T 4.0109 7.7944 116.0974 63.0761 69.0115 173.6420 131 D 4.4608 8.5009 123.5226 54.3441 41.4014 175.4334 132 M 4.7775 8.4030 126.1909 53.5801 34.4757 175.3317 133 S 4.6258 9.3185 116.2676 55.8220 65.7691 174.4738 134 L 3.1638 8.4281 127.2117 58.0941 41.6674 178.8956 135 A 4.1369 7.2351 119.1001 54.0114 18.4065 177.9154 136 D 4.5927 7.9465 116.5137 55.9153 41.2056 175.9494 137 F 5.1656 7.0812 112.6806 56.1009 40.8335 173.7358 138 H 4.6406 8.1271 115.5271 55.3236 29.2981 173.5340 139 A 4.7910 6.9162 120.5765 51.2766 22.6239 175.3305 140 G 3.6651 7.4161 105.8688 46.7412 0.0000 171.5094 141 I 5.0601 7.3955 120.4569 59.5220 39.3483 175.5794 142 F 5.3259 9.4027 124.8095 55.4489 43.3795 173.7249 143 L 4.5718 9.2196 124.5484 54.4888 42.9225 175.9669 144 K 4.4828 9.8519 128.1534 57.4144 34.5327 176.3831 145 G 3.8511 8.9368 116.2381 44.6705 0.0000 173.8008 146 Q 3.7910 8.1310 115.9004 56.1647 26.9864 173.5494 147 E 4.6120 8.0160 113.2070 55.8109 31.4837 175.3188 148 H 4.9048 7.9938 119.2559 54.4191 32.8025 172.0358 149 A 5.0670 8.6755 127.6282 51.4931 20.1600 176.2924 150 V 4.4884 8.8143 113.0885 59.7641 36.9245 174.1422 151 F 5.4114 8.7079 123.5736 57.1484 41.7215 174.3424 152 A 5.1721 7.8912 124.7130 51.1832 23.0319 174.8017 153 C 4.4328 8.7758 114.0152 56.5625 33.6709 173.3524 154 V 3.3613 7.3576 120.7059 62.9922 31.7411 175.1085 155 T 5.0515 8.1918 115.3715 59.8291 72.3582 174.9162 156 S 4.2251 8.7967 116.4827 60.5893 62.9912 174.7983 157 N 4.7684 8.1044 118.0832 52.9430 38.1855 175.4427 158 G 4.1421 8.2917 105.0571 44.1927 0.0000 173.2700 159 W 4.4979 8.8440 117.8310 57.7732 30.1032 175.1361 160 Y 5.2534 9.5008 121.1213 56.1901 41.6999 174.2439 161 A 5.1171 8.7828 124.6265 50.3333 22.2063 175.9335 162 I 3.7256 8.6574 122.8073 59.7337 39.2912 174.3685 163 D 4.5201 8.8390 128.8554 52.4224 42.5764 177.9877 164 D 4.2523 8.5987 129.1421 55.4432 40.1164 177.3573 165 E 4.2859 9.2651 129.1589 58.3816 30.2440 175.7028 166 D 5.1230 8.2150 119.8733 52.6795 42.5887 175.0300 167 F 5.3055 8.7232 121.5000 56.0261 41.6223 174.2700 168 Y 4.5802 7.8602 118.7461 55.1255 41.4997 171.9820 169 P 4.2225 0.0000 0.0000 62.7218 32.2114 175.8971 170 W 4.4929 8.9196 130.3540 57.2070 34.3734 173.5033 171 T 4.1300 8.1171 125.1088 60.7958 69.0249 173.1373 172 P 2.9700 0.0000 0.0000 61.5951 32.1301 175.1619 173 D 4.3698 7.7664 119.0566 52.4333 42.0037 175.6189 174 P 4.5727 0.0000 0.0000 65.4467 31.5436 178.1479 175 S 4.2265 8.6683 112.2447 60.2572 62.4598 174.0789 176 D 4.8880 8.4332 119.6210 54.1760 41.1705 176.4610 177 V 3.8348 7.6799 120.1199 61.4840 32.2969 175.8155 178 L 4.6418 8.6564 121.9279 55.3703 44.9025 176.7011 179 V 4.9763 7.2113 117.3619 61.1913 35.2995 174.0081 180 F 5.0879 8.9002 121.4338 55.3630 42.2721 173.5951 181 V 4.7854 8.8776 120.2241 60.2814 32.8162 173.2230 182 P 5.4693 0.0000 0.0000 62.2881 32.2328 175.7701 183 Y 4.2805 8.6473 118.1133 57.5560 39.0490 175.8729 184 D 4.6168 8.7739 119.6668 54.9297 41.0035 176.6353 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 29 M 8.16 4.25 0.00 0.68 1.08 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 30 E 8.70 4.59 0.00 2.09 1.80 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 2.27 2.40 0.00 31 L 9.95 4.84 0.00 1.82 1.54 0.74 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 32 T 8.21 4.88 4.21 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 1.19 0.00 0.00 33 L 8.89 4.74 0.00 1.72 1.73 0.86 0.97 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 34 Y 8.79 4.21 0.00 3.14 3.12 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 35 N 7.12 4.40 0.00 2.48 1.75 0.00 0.00 6.11 7.00 0.00 0.00 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 G 7.97 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 0.00 0.00 0.00 37 E 8.13 4.09 0.00 1.99 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 2.22 2.21 0.00 38 K 8.46 5.02 0.00 1.65 1.69 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.83 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.39 7.81 39 K 8.78 4.48 0.00 1.69 1.62 0.00 1.20 0.00 0.00 1.22 0.00 0.00 2.61 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.51 1.09 7.81 40 T 8.27 4.84 4.09 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 1.18 0.00 0.00 41 F 9.01 4.80 0.00 3.28 3.36 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 42 Y 8.65 5.18 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 43 S 9.01 4.56 0.00 3.91 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 44 R 8.37 4.77 0.00 1.63 1.85 0.00 3.15 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.70 0.00 45 P 0.00 4.48 0.00 2.05 2.14 0.00 3.64 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.92 0.00 46 N 8.64 4.94 0.00 2.71 2.73 0.00 0.00 6.86 7.79 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 47 N 8.53 4.92 0.00 2.56 2.61 0.00 0.00 6.96 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 48 H 8.24 4.91 0.00 3.15 3.30 0.00 6.00 0.00 0.00 0.00 0.00 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.31 4.51 0.00 2.87 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.62 4.40 0.00 2.36 2.83 0.00 0.00 6.93 7.03 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 51 A 8.51 4.31 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 52 W 8.09 4.11 0.00 3.63 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 53 L 5.77 3.24 0.00 0.27 0.70 0.54 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 54 N 7.98 4.20 0.00 2.75 2.76 0.00 0.00 6.92 7.90 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 55 A 8.11 4.02 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 7.55 3.42 1.81 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 1.44 0.69 0.12 0.00 0.00 57 L 8.03 3.92 0.00 1.80 1.90 0.72 0.76 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 58 Q 8.06 3.80 0.00 1.79 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.67 2.48 0.00 59 L 7.57 3.70 0.00 1.89 1.83 1.14 0.88 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 60 F 8.53 4.50 0.00 3.14 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 61 R 7.97 3.53 0.00 0.70 1.74 0.00 2.78 0.00 0.00 2.64 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.83 0.00 62 Y 8.06 4.24 0.00 3.27 3.29 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 63 V 7.89 4.15 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 1.14 0.00 0.00 1.11 0.00 0.00 64 E 7.79 3.65 0.00 2.11 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 2.15 2.13 0.00 65 E 8.41 4.08 0.00 1.48 1.62 0.00 0.00 0.00 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 1.85 0.00 66 P 0.00 4.54 0.00 2.24 2.08 0.00 3.63 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.99 0.00 67 F 7.96 3.95 0.00 2.92 2.89 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 68 F 8.18 5.02 0.00 3.28 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.63 4.56 0.00 3.02 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 70 W 8.23 4.25 0.00 3.65 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 71 V 6.70 3.24 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 0.48 0.00 0.00 -1.29 0.00 0.00 72 Y 7.77 3.97 0.00 2.97 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 73 S 8.20 4.53 0.00 4.14 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 74 S 7.47 4.36 0.00 4.04 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 0.00 75 P 0.00 4.33 0.00 2.04 2.02 0.00 3.67 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 1.99 2.04 0.00 76 E 7.70 4.54 0.00 1.95 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 2.23 2.20 0.00 77 N 8.44 4.50 0.00 2.64 2.75 0.00 0.00 6.95 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.08 4.59 0.00 1.55 1.69 1.22 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 79 T 7.78 3.65 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 1.07 0.00 0.00 80 L 7.75 3.94 0.00 1.65 1.72 0.93 0.86 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 81 E 8.17 4.08 0.00 2.36 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 2.47 2.45 0.00 82 A 8.00 3.98 0.70 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 83 I 8.05 3.83 2.00 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 1.69 0.59 0.83 0.00 0.00 84 K 8.12 4.01 0.00 1.98 2.07 0.00 1.60 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.59 7.81 85 Q 8.53 4.13 0.00 2.42 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.70 2.61 0.00 86 L 8.73 4.30 0.00 2.22 1.98 1.45 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.95 4.13 0.00 2.19 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 0.00 2.56 2.69 0.00 88 D 8.00 4.40 0.00 2.96 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 89 L 7.93 4.34 0.00 1.76 1.80 1.18 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 90 T 8.28 4.52 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 1.30 0.00 0.00 91 G 8.25 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 92 L 7.42 4.60 0.00 1.55 1.49 0.84 1.20 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 93 E 8.44 4.51 0.00 1.92 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 2.26 2.28 0.00 94 L 9.31 4.91 0.00 1.63 1.57 0.94 0.35 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 95 H 8.81 4.64 0.00 3.50 3.43 0.00 5.79 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 E 8.02 4.70 0.00 1.92 1.90 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 2.26 2.33 0.00 97 G 9.55 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 0.00 0.00 0.00 98 G 7.20 2.75 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 0.00 0.00 0.00 0.00 0.00 0.00 99 P 0.00 4.56 0.00 2.20 2.14 0.00 3.32 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.88 0.00 100 P 0.00 4.36 0.00 2.35 2.71 0.00 3.73 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 101 A 7.96 4.03 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 0.00 102 L 7.82 3.95 0.00 1.75 1.82 1.02 0.85 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 0.00 103 V 7.74 3.63 2.36 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 1.12 0.00 0.00 0.88 0.00 0.00 104 I 7.98 3.92 2.11 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 1.58 0.64 1.03 0.00 0.00 105 W 8.43 4.08 0.00 3.54 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 0.00 106 N 8.71 4.56 0.00 2.76 2.91 0.00 0.00 6.93 6.99 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 0.00 107 I 7.22 4.22 1.50 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.01 0.94 0.00 0.00 108 K 7.64 3.62 0.00 1.60 1.94 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.33 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.09 1.03 7.81 109 H 7.84 4.24 0.00 3.21 3.35 0.00 5.51 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 L 7.49 4.35 0.00 1.33 1.75 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 111 L 7.01 4.59 0.00 1.48 1.44 0.72 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 112 H 8.94 4.24 0.00 3.03 3.41 0.00 5.93 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 T 8.47 3.93 4.09 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 1.22 0.00 0.00 114 G 8.41 3.85 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 0.00 0.00 0.00 115 I 8.31 4.98 1.69 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 1.28 0.88 1.03 0.00 0.00 116 G 9.15 4.41 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 0.00 117 T 8.79 5.35 4.34 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 1.09 0.00 0.00 118 A 8.84 4.28 1.56 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 0.00 0.00 119 S 8.40 4.32 0.00 3.94 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 0.00 120 R 8.19 4.61 0.00 1.88 1.86 0.00 3.18 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 121 P 0.00 4.77 0.00 2.10 2.07 0.00 3.75 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.38 0.00 122 S 7.95 4.44 0.00 3.79 3.75 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 0.00 0.00 0.00 123 E 9.06 4.04 0.00 2.02 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 0.00 2.35 2.37 0.00 124 V 8.00 4.57 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 0.97 0.00 0.00 0.98 0.00 0.00 125 C 8.61 5.19 0.00 1.23 2.19 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 0.00 126 V 8.57 4.54 2.02 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 0.93 0.00 0.00 0.75 0.00 0.00 127 V 8.41 4.05 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 0.78 0.00 0.00 0.97 0.00 0.00 128 D 8.84 4.67 0.00 2.62 2.57 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 0.00 129 G 8.42 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 0.00 0.00 0.00 130 T 7.79 4.01 4.30 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 1.23 0.00 0.00 131 D 8.50 4.46 0.00 2.62 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.40 4.78 0.00 2.02 1.93 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.51 0.00 133 S 9.32 4.63 0.00 3.66 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.43 3.16 0.00 1.43 1.42 -0.06 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 135 A 7.24 4.14 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 0.00 136 D 7.95 4.59 0.00 2.54 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 0.00 137 F 7.08 5.17 0.00 3.40 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 0.00 138 H 8.13 4.64 0.00 3.08 2.66 0.00 5.49 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 A 6.92 4.79 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.42 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 0.00 141 I 7.40 5.06 1.77 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 1.36 0.67 0.97 0.00 0.00 142 F 9.40 5.33 0.00 3.30 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 0.00 143 L 9.22 4.57 0.00 1.79 1.67 0.97 0.79 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 0.00 144 K 9.85 4.48 0.00 1.54 1.66 0.00 0.61 0.00 0.00 0.99 0.00 0.00 2.57 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.40 7.81 145 G 8.94 3.85 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 0.00 0.00 0.00 146 Q 8.13 3.79 0.00 2.25 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 147 E 8.02 4.61 0.00 2.07 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 2.37 2.24 0.00 148 H 7.99 4.90 0.00 3.33 3.40 0.00 5.77 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 0.00 149 A 8.68 5.07 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 0.00 150 V 8.81 4.49 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 0.44 0.00 0.00 0.74 0.00 0.00 151 F 8.71 5.41 0.00 3.15 2.88 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 0.00 152 A 7.89 5.17 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 0.00 0.00 153 C 8.78 4.43 0.00 2.88 2.43 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 0.00 154 V 7.36 3.36 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 0.71 0.00 0.00 0.10 0.00 0.00 155 T 8.19 5.05 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 1.22 0.00 0.00 156 S 8.80 4.23 0.00 4.01 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 0.00 157 N 8.10 4.77 0.00 2.72 3.07 0.00 0.00 7.23 7.76 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 0.00 158 G 8.29 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 0.00 0.00 0.00 0.00 159 W 8.84 4.50 0.00 3.26 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 0.00 160 Y 9.50 5.25 0.00 2.88 2.88 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 0.00 161 A 8.78 5.12 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.66 3.73 1.88 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.23 0.37 0.00 0.00 163 D 8.84 4.52 0.00 2.39 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 0.00 164 D 8.60 4.25 0.00 2.89 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 0.00 0.00 0.00 165 E 9.27 4.29 0.00 2.00 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 0.00 2.29 2.46 0.00 166 D 8.22 5.12 0.00 2.90 2.84 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 0.00 167 F 8.72 5.31 0.00 3.02 3.32 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 0.00 168 Y 7.86 4.58 0.00 2.95 2.98 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 0.00 169 P 0.00 4.22 0.00 2.00 2.09 0.00 3.74 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 170 W 8.92 4.49 0.00 3.33 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 0.00 171 T 8.12 4.13 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 0.68 0.00 0.00 172 P 0.00 2.97 0.00 0.96 0.49 0.00 2.21 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 173 D 7.77 4.37 0.00 2.55 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 0.00 174 P 0.00 4.57 0.00 2.31 2.20 0.00 3.54 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.91 0.00 175 S 8.67 4.23 0.00 3.78 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 0.00 176 D 8.43 4.89 0.00 3.03 3.11 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 0.00 177 V 7.68 3.83 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 0.60 0.00 0.00 -0.07 0.00 0.00 178 L 8.66 4.64 0.00 1.45 1.65 0.93 0.66 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 0.00 179 V 7.21 4.98 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 1.10 0.00 0.00 0.91 0.00 0.00 180 F 8.90 5.09 0.00 2.54 2.28 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 0.00 181 V 8.88 4.79 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 1.16 0.00 0.00 0.98 0.00 0.00 182 P 0.00 5.47 0.00 2.33 2.44 0.00 3.65 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.93 0.00 183 Y 8.65 4.28 0.00 2.94 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 0.00 184 D 8.77 4.62 0.00 2.81 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