NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 L 4.3265 8.1801 120.6346 54.7164 41.9115 175.9443 23 A 3.9801 8.4304 127.1983 52.9681 19.0033 175.2920 24 D 4.6712 8.2399 114.0272 51.9537 42.4807 174.1396 25 S 4.1738 8.8032 114.4677 62.0588 62.6845 176.7239 26 K 3.9161 8.1647 120.3923 59.5144 31.8335 178.8639 27 A 4.0353 8.2979 120.9367 55.3572 18.2903 180.1427 28 V 3.7673 8.1853 117.7203 64.6723 31.5964 178.5446 29 L 4.2034 8.5920 120.3560 57.8512 41.5781 178.9662 30 N 4.3325 8.4088 117.0264 56.4400 38.7515 176.7603 31 Q 4.2560 8.5083 121.0156 59.2480 29.1680 178.0599 32 A 4.2430 8.5506 122.1639 55.2732 18.5174 179.6295 33 V 3.6018 8.1365 116.5048 66.2113 31.6045 178.2377 34 A 4.1374 8.3258 120.0512 55.4114 18.3185 179.3692 35 D 4.3827 8.4730 117.5660 57.5329 40.8885 179.1176 36 L 4.1636 8.5709 120.0443 57.7204 41.6125 179.6088 37 S 3.8991 7.7199 114.7217 61.5562 62.6448 177.0000 38 V 3.6009 7.8096 120.6650 65.8391 31.1757 177.9036 39 A 4.0089 8.4486 121.0807 55.2486 18.1899 178.8501 40 H 3.9418 8.7227 117.2081 59.6413 29.8239 177.3251 41 S 4.1037 7.9191 114.2272 61.4637 62.1734 176.2293 42 I 3.6625 7.7842 122.4592 64.3150 36.7847 178.2791 43 L 3.9279 8.1057 120.0921 58.1098 41.4507 179.2755 44 H 3.4924 8.0003 115.9497 58.6158 28.5486 177.2943 45 Q 4.2290 8.0125 121.3588 59.4550 28.7034 178.8495 46 V 3.6321 7.8865 118.9449 66.2737 31.3620 177.1291 47 H 4.1342 8.0607 116.7274 59.3959 29.6739 176.8760 48 W 4.7135 8.1279 119.0611 59.7203 28.8529 177.4321 49 Y 4.5423 8.4891 114.4251 57.1066 37.8124 175.3005 50 M 4.4884 7.5978 121.2256 55.9692 32.9301 175.6653 51 R 4.6621 8.8681 123.5601 55.1340 34.5680 173.7865 52 G 4.2238 9.0365 106.7599 42.8197 0.0000 173.2014 53 R 4.1590 8.3230 119.6929 57.7962 30.2906 177.3709 54 G 4.2691 9.6756 110.3668 45.1358 0.0000 174.7165 55 F 4.0994 8.8570 122.7028 62.0441 39.0353 176.9750 56 M 4.3301 8.2907 115.2397 58.2162 32.3500 177.7313 57 I 3.7519 7.5768 119.6365 63.8120 37.7898 177.9521 58 W 4.1271 8.1089 119.5452 59.2365 28.7185 178.0451 59 H 3.8669 8.2643 119.1858 58.9072 29.0061 175.5606 60 P 4.1940 0.0000 0.0000 65.3574 31.2919 177.8704 61 K 3.4245 7.6003 119.1552 59.7328 31.7722 178.5126 62 M 4.0886 7.8292 118.3680 58.1737 31.7902 178.0747 63 D 4.2129 7.3074 119.1619 57.6982 41.0615 179.0349 64 E 3.8864 7.6229 118.6384 59.5056 29.4024 179.1381 65 Y 4.4556 7.6835 116.7020 61.6220 38.0350 178.5462 66 M 4.2125 8.4593 119.9796 58.3045 31.9520 178.5139 67 E 3.9714 8.3598 119.7227 59.0199 29.7792 178.5352 68 E 3.6639 8.1177 119.4699 59.0726 29.6380 178.6274 69 I 3.7136 8.1721 120.1596 64.7422 37.1804 177.7734 70 D 4.4617 8.5705 120.0128 57.5562 40.6756 179.4391 71 G 3.4876 7.7761 105.7588 48.1017 0.0000 175.3218 72 Y 4.3641 7.3510 119.5988 60.4704 37.8770 178.1704 73 L 3.9740 8.2476 121.5541 58.4193 42.1922 178.5848 74 D 4.3056 8.2955 117.7830 57.3575 41.2054 177.8755 75 E 3.9094 8.2059 118.9957 59.7802 29.5164 179.4731 76 M 3.8847 8.3086 118.9159 58.2769 32.0469 178.6244 77 S 4.1150 7.9344 114.4701 61.9092 62.9678 176.2470 78 E 4.1044 8.1358 120.9463 57.4459 29.3910 178.9251 79 R 3.8441 7.9263 119.7330 59.1283 30.0546 178.0992 80 L 3.9383 8.3464 120.6020 58.2194 42.1902 179.0639 81 I 3.7268 8.0830 120.1402 64.6496 36.7862 178.5891 82 T 3.9239 7.6811 115.8048 66.3362 68.3643 176.0564 83 L 4.2811 7.7187 118.6406 55.1845 41.8813 177.6997 84 G 4.0151 7.8084 107.4356 45.1587 0.0000 174.2011 85 G 3.8704 7.9536 109.2662 44.1394 0.0000 173.7979 86 A 4.3917 7.9892 122.2488 49.4679 19.8914 174.1536 87 P 4.4579 0.0000 0.0000 63.0386 32.0868 176.9230 88 F 4.4558 8.1753 120.3201 58.9050 39.3111 176.2630 89 S 4.8600 9.0371 118.5141 57.1036 63.6738 174.4463 90 T 4.4674 6.8044 109.7829 59.7653 72.9133 173.7380 91 L 3.9906 8.3643 125.1045 58.3521 41.6472 180.2636 92 K 3.8125 7.9798 123.2206 60.1322 31.5386 180.6014 93 E 3.9195 7.7713 119.5651 59.0185 29.3460 179.4926 94 F 4.4171 7.6936 117.7044 60.8096 38.8099 177.8294 95 S 4.1095 8.4284 113.3021 61.9171 62.7907 176.5292 96 E 4.0577 8.1812 119.8924 59.0471 29.2555 178.5072 97 N 4.4746 7.8092 114.8419 53.5708 39.3416 175.8067 98 S 4.4180 7.3850 114.9916 58.3760 62.9426 173.7415 99 Q 4.3354 8.6625 124.3118 55.8791 29.0751 176.1302 100 L 4.0675 7.3499 118.5880 53.6852 42.5896 176.2385 101 K 4.4736 8.1998 120.6189 54.6619 34.0520 175.9972 102 E 4.4175 8.5311 123.4093 55.4866 30.7374 175.7608 103 V 4.5382 7.6909 113.4400 58.9673 35.7412 175.5422 104 L 4.0453 8.2460 121.0631 54.3707 41.9983 177.8701 105 G 2.3876 8.0769 111.3087 45.3201 0.0000 172.6504 106 D 4.4342 7.3923 121.3227 52.4154 43.6960 175.7338 107 Y 4.7080 8.5841 124.1392 60.4809 38.1564 176.5544 108 N 4.7083 8.7120 115.5585 53.5807 38.8369 175.4619 109 V 3.8673 7.3556 119.7931 62.7639 32.2464 176.4253 110 T 4.4299 9.0063 118.0720 60.5746 71.3821 176.0630 111 I 3.6609 8.2142 121.7797 64.9361 37.1395 178.3443 112 E 3.8305 8.1678 118.4925 59.6222 29.2286 179.3382 113 E 3.9458 7.8855 117.6573 59.2437 29.5362 179.1174 114 Q 3.9404 8.2855 118.4789 59.0762 28.7009 179.2206 115 L 3.6694 7.8630 119.5527 57.5039 41.6456 179.1359 116 A 3.8441 7.7689 120.7703 55.2870 18.1960 179.6837 117 R 3.7407 8.0021 117.0326 59.4866 30.0687 178.9210 118 V 3.1894 7.4964 118.0976 65.6723 31.3262 178.1362 119 V 3.3881 7.7034 118.2291 65.9238 31.3504 177.8539 120 E 3.9009 8.0738 118.2357 59.3119 29.2556 179.4175 121 V 3.6188 7.7780 118.2036 66.1928 31.6372 178.0524 122 F 4.4136 8.4255 117.7901 60.6573 38.6662 177.7271 123 R 3.8964 8.8068 118.1792 59.5033 29.8905 178.2374 124 Y 3.9101 8.0892 119.0325 60.8334 38.6622 178.3825 125 L 3.4454 8.0917 119.5316 57.4904 41.6221 179.2148 126 A 3.7462 8.2028 120.7951 55.0754 18.2321 179.6359 127 A 3.7522 7.4760 118.8285 55.0054 18.3715 179.4796 128 L 3.6299 7.2948 118.8902 58.4194 41.9949 179.3688 129 F 4.3060 7.9991 117.9202 60.2459 38.6975 177.5778 130 Q 3.9192 8.1139 119.5228 59.0710 28.8232 178.3149 131 K 3.9459 7.9468 119.6090 59.4712 32.1226 179.4413 132 G 2.3477 7.6507 105.9119 47.1902 0.0000 175.1743 133 F 4.0030 8.0844 123.2767 61.2373 39.4215 176.8939 134 D 4.4116 8.5760 118.5520 57.3752 40.7168 178.9291 135 V 3.5741 8.0381 119.2045 66.1986 31.4180 178.2734 136 S 4.2091 8.0451 115.2030 60.7627 62.7302 175.7583 137 D 4.1762 8.2950 124.4803 57.8224 40.7053 178.8658 138 E 4.0055 7.9710 117.4765 61.0640 29.8776 180.1995 139 E 4.4096 8.1856 117.3506 56.5106 29.6211 177.8595 140 G 3.8090 7.4027 106.5129 46.6033 0.0000 174.9071 141 D 4.5737 7.7498 121.5188 52.8931 39.6703 176.5671 142 S 4.0782 8.1540 121.0390 60.6603 63.4183 176.5659 143 V 3.4977 7.5989 121.3706 66.1158 31.4306 177.9261 144 T 3.6447 7.9736 114.9374 66.4993 68.2777 175.4961 145 N 4.2965 8.0103 120.3289 56.2321 38.7842 176.0612 146 D 4.3648 8.3456 119.2277 57.4641 41.3728 178.3467 147 I 3.5467 7.5383 120.1214 64.4406 37.1051 178.4814 148 F 4.0615 7.9332 118.5622 60.4397 38.7024 177.2622 149 N 4.4040 8.6612 116.9659 56.6256 38.7491 177.2128 150 V 3.5411 8.0375 119.5277 65.9654 31.6939 177.8703 151 A 3.4852 7.5051 120.0624 54.7543 17.8601 179.5713 152 K 4.0721 8.1498 117.9300 59.4522 32.2533 178.6328 153 A 3.9808 7.9335 121.2206 55.6424 18.3094 179.6888 154 S 4.1254 7.9825 110.8663 61.2912 62.4442 176.3292 155 I 3.5514 7.7956 122.6847 64.4642 36.9478 178.2522 156 E 4.0639 8.4933 119.6146 59.1572 29.2338 179.3458 157 K 4.2662 8.0298 119.4648 59.9943 32.3279 178.5495 158 H 4.4226 8.3092 116.4698 59.0141 28.5289 177.7989 159 I 3.8368 8.0665 121.6645 64.0496 36.9068 178.0322 160 W 4.4180 8.2616 128.9838 61.0362 30.5474 177.9635 161 M 3.3245 7.7668 118.2274 58.1313 31.3470 178.7256 162 L 4.0562 8.5109 119.4748 58.0473 41.6917 179.7263 163 Q 4.0067 8.5345 118.0952 58.7638 28.5651 178.5201 164 A 4.0258 8.2240 122.0765 55.0755 18.1723 179.1635 165 E 3.9674 8.0618 116.9851 59.3200 29.7625 178.2092 166 L 4.3926 7.4207 115.6182 54.3480 41.6981 177.4465 167 G 3.9477 8.1125 106.9036 45.9672 0.0000 173.5941 168 Q 4.6548 8.0697 116.9508 53.1071 32.0723 175.3211 169 A 4.3634 8.3213 122.5246 51.5325 19.1490 176.3476 170 P 4.4024 0.0000 0.0000 63.8476 31.7909 177.3326 171 K 3.8496 8.1189 115.3444 57.1350 29.4822 175.0808 172 L 4.1740 7.9839 122.0452 55.2464 41.4839 177.6692 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 22 L 8.18 4.33 0.00 1.66 1.75 1.00 0.53 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 23 A 8.43 3.98 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 24 D 8.24 4.67 0.00 3.13 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 25 S 8.80 4.17 0.00 3.94 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.16 3.92 0.00 1.79 1.85 0.00 1.65 0.00 0.00 1.95 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.52 7.81 27 A 8.30 4.04 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 V 8.19 3.77 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 1.12 0.00 0.00 0.79 0.00 0.00 29 L 8.59 4.20 0.00 1.88 1.78 0.88 0.07 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 30 N 8.41 4.33 0.00 2.86 2.62 0.00 0.00 6.86 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 31 Q 8.51 4.26 0.00 2.48 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.48 2.78 0.00 32 A 8.55 4.24 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 0.00 0.00 0.00 0.00 0.00 33 V 8.14 3.60 2.50 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 1.27 0.00 0.00 1.08 0.00 0.00 34 A 8.33 4.14 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 35 D 8.47 4.38 0.00 2.99 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 36 L 8.57 4.16 0.00 1.79 1.81 1.18 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.72 3.90 0.00 3.41 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 V 7.81 3.60 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 0.97 0.00 0.00 0.99 0.00 0.00 39 A 8.45 4.01 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 H 8.72 3.94 0.00 3.30 3.53 0.00 5.79 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 S 7.92 4.10 0.00 3.98 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 0.00 42 I 7.78 3.66 1.95 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 1.48 0.53 0.85 0.00 0.00 43 L 8.11 3.93 0.00 1.74 1.66 1.11 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 44 H 8.00 3.49 0.00 3.03 2.46 0.00 5.64 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.01 4.23 0.00 2.15 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 46 V 7.89 3.63 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 0.96 0.00 0.00 0.94 0.00 0.00 47 H 8.06 4.13 0.00 3.04 3.26 0.00 6.00 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 W 8.13 4.71 0.00 3.72 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 49 Y 8.49 4.54 0.00 3.19 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 50 M 7.60 4.49 0.00 2.30 2.40 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.81 0.00 51 R 8.87 4.66 0.00 1.92 1.81 0.00 3.32 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.81 0.00 52 G 9.04 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 0.00 0.00 0.00 0.00 53 R 8.32 4.16 0.00 1.87 1.97 0.00 3.38 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 54 G 9.68 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 0.00 0.00 0.00 0.00 55 F 8.86 4.10 0.00 3.35 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 56 M 8.29 4.33 0.00 2.10 2.24 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.75 0.00 57 I 7.58 3.75 1.38 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 1.51 0.78 0.35 0.00 0.00 58 W 8.11 4.13 0.00 3.53 3.25 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 59 H 8.26 3.87 0.00 1.69 2.56 0.00 5.78 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 P 0.00 4.19 0.00 2.17 2.21 0.00 3.62 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.96 0.00 61 K 7.60 3.42 0.00 1.54 1.83 0.00 0.93 0.00 0.00 1.14 0.00 0.00 2.66 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.84 0.85 7.81 62 M 7.83 4.09 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 3.07 0.00 63 D 7.31 4.21 0.00 2.80 2.62 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 0.00 0.00 0.00 64 E 7.62 3.89 0.00 1.77 1.89 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 2.20 2.30 0.00 65 Y 7.68 4.46 0.00 3.26 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 66 M 8.46 4.21 0.00 1.86 2.08 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.34 0.00 67 E 8.36 3.97 0.00 2.18 1.89 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 2.26 2.31 0.00 68 E 8.12 3.66 0.00 2.07 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 0.00 1.72 2.04 0.00 69 I 8.17 3.71 2.06 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.93 1.02 0.00 0.00 70 D 8.57 4.46 0.00 2.94 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 71 G 7.78 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.35 4.36 0.00 3.24 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 73 L 8.25 3.97 0.00 1.89 1.92 0.90 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.30 4.31 0.00 2.86 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 75 E 8.21 3.91 0.00 2.35 1.93 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 2.30 2.35 0.00 76 M 8.31 3.88 0.00 1.98 2.16 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.03 0.00 77 S 7.93 4.11 0.00 4.09 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 78 E 8.14 4.10 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 79 R 7.93 3.84 0.00 1.93 1.97 0.00 3.09 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 80 L 8.35 3.94 0.00 1.76 1.90 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 81 I 8.08 3.73 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 1.51 1.10 0.90 0.00 0.00 82 T 7.68 3.92 4.35 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 1.19 0.00 0.00 83 L 7.72 4.28 0.00 1.75 1.69 0.94 0.89 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 84 G 7.81 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 7.95 3.87 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 0.00 0.00 0.00 86 A 7.99 4.39 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 87 P 0.00 4.46 0.00 2.26 2.07 0.00 3.78 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 88 F 8.18 4.46 0.00 3.43 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 89 S 9.04 4.86 0.00 3.99 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 90 T 6.80 4.47 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 1.19 0.00 0.00 91 L 8.36 3.99 0.00 1.70 1.81 0.99 1.19 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 92 K 7.98 3.81 0.00 1.76 1.84 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.13 7.81 93 E 7.77 3.92 0.00 1.94 1.79 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 2.36 2.30 0.00 94 F 7.69 4.42 0.00 3.21 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 95 S 8.43 4.11 0.00 3.90 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 96 E 8.18 4.06 0.00 1.87 1.94 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 2.30 2.43 0.00 97 N 7.81 4.47 0.00 2.16 2.61 0.00 0.00 6.99 6.87 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 98 S 7.38 4.42 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 99 Q 8.66 4.34 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.63 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 100 L 7.35 4.07 0.00 1.46 1.42 0.82 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.20 4.47 0.00 1.64 1.65 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.25 1.31 7.81 102 E 8.53 4.42 0.00 1.93 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 0.00 2.25 2.30 0.00 103 V 7.69 4.54 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 0.69 0.00 0.00 0.84 0.00 0.00 104 L 8.25 4.05 0.00 1.54 1.50 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 105 G 8.08 2.39 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 0.00 106 D 7.39 4.43 0.00 2.46 2.34 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 0.00 107 Y 8.58 4.71 0.00 3.15 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 0.00 108 N 8.71 4.71 0.00 2.84 2.90 0.00 0.00 6.94 8.35 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 0.00 109 V 7.36 3.87 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 0.81 0.00 0.00 0.94 0.00 0.00 110 T 9.01 4.43 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 1.22 0.00 0.00 111 I 8.21 3.66 1.88 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.04 0.82 0.00 0.00 112 E 8.17 3.83 0.00 2.00 1.94 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 2.36 2.41 0.00 113 E 7.89 3.95 0.00 2.11 1.94 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 2.29 2.31 0.00 114 Q 8.29 3.94 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.66 2.60 0.00 115 L 7.86 3.67 0.00 1.51 1.28 -0.25 -0.28 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 0.00 116 A 7.77 3.84 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 0.00 117 R 8.00 3.74 0.00 1.88 2.03 0.00 3.03 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 118 V 7.50 3.19 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 0.02 0.00 0.00 0.84 0.00 0.00 119 V 7.70 3.39 2.14 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 1.00 0.00 0.00 0.91 0.00 0.00 120 E 8.07 3.90 0.00 2.18 1.95 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 2.30 2.44 0.00 121 V 7.78 3.62 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 1.21 0.00 0.00 0.88 0.00 0.00 122 F 8.43 4.41 0.00 3.10 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 0.00 123 R 8.81 3.90 0.00 2.05 2.00 0.00 3.15 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 124 Y 8.09 3.91 0.00 3.10 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 0.00 125 L 8.09 3.45 0.00 1.55 0.75 1.02 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 126 A 8.20 3.75 1.26 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 0.00 127 A 7.48 3.75 1.14 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 0.00 128 L 7.29 3.63 0.00 1.18 1.41 0.91 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 129 F 8.00 4.31 0.00 3.13 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 0.00 130 Q 8.11 3.92 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 131 K 7.95 3.95 0.00 1.86 1.75 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.55 7.81 132 G 7.65 2.35 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 0.00 133 F 8.08 4.00 0.00 3.31 3.25 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 0.00 134 D 8.58 4.41 0.00 2.83 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 0.00 135 V 8.04 3.57 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 1.04 0.00 0.00 0.97 0.00 0.00 136 S 8.05 4.21 0.00 4.29 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 0.00 137 D 8.30 4.18 0.00 2.44 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 0.00 138 E 7.97 4.01 0.00 2.12 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 0.00 2.26 2.22 0.00 139 E 8.19 4.41 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 2.33 2.58 0.00 140 G 7.40 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 141 D 7.75 4.57 0.00 2.72 2.55 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 0.00 142 S 8.15 4.08 0.00 4.05 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 0.00 143 V 7.60 3.50 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 1.00 0.00 0.00 0.90 0.00 0.00 144 T 7.97 3.64 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 1.19 0.00 0.00 145 N 8.01 4.30 0.00 2.68 2.87 0.00 0.00 6.37 7.99 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 0.00 146 D 8.35 4.36 0.00 2.92 2.62 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 0.00 0.00 0.00 147 I 7.54 3.55 1.64 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.75 0.51 0.00 0.00 148 F 7.93 4.06 0.00 3.21 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 N 8.66 4.40 0.00 3.31 3.05 0.00 0.00 6.85 7.56 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 0.00 150 V 8.04 3.54 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 1.00 0.00 0.00 0.97 0.00 0.00 151 A 7.51 3.49 -0.04 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 0.00 0.00 152 K 8.15 4.07 0.00 2.13 2.00 0.00 1.63 0.00 0.00 1.56 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.50 7.81 153 A 7.93 3.98 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 0.00 154 S 7.98 4.13 0.00 3.98 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 0.00 155 I 7.80 3.55 1.87 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 1.80 0.76 0.73 0.00 0.00 156 E 8.49 4.06 0.00 2.10 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 2.34 2.42 0.00 157 K 8.03 4.27 0.00 2.02 2.05 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.28 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.66 1.93 7.81 158 H 8.31 4.42 0.00 3.45 3.52 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 I 8.07 3.84 2.15 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.13 0.99 0.00 0.00 160 W 8.26 4.42 0.00 3.45 3.51 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 0.00 161 M 7.77 3.32 0.00 1.93 2.14 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 1.11 0.00 162 L 8.51 4.06 0.00 1.72 1.62 0.73 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 163 Q 8.53 4.01 0.00 2.36 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.47 2.73 0.00 164 A 8.22 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 0.00 165 E 8.06 3.97 0.00 2.22 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 0.00 2.27 2.43 0.00 166 L 7.42 4.39 0.00 1.76 1.63 0.80 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 167 G 8.11 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 0.00 168 Q 8.07 4.65 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.88 0.00 0.00 0.00 0.00 0.00 2.28 2.45 0.00 169 A 8.32 4.36 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 0.00 170 P 0.00 4.40 0.00 2.13 2.30 0.00 3.90 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 2.09 2.38 0.00 171 K 8.12 3.85 0.00 1.90 1.88 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.60 7.81 172 L 7.98 4.17 0.00 1.63 1.58 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00