NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3703 8.3001 120.3275 55.3747 33.1063 177.3895 2 A 4.0842 8.6587 131.1831 50.8236 19.7569 175.3907 3 K 3.7262 9.2924 117.9334 57.9247 32.2707 174.6843 4 Q 4.0940 7.7897 116.3139 57.0066 29.0430 176.1396 5 S 4.4007 8.0070 117.2033 57.4626 65.2417 174.1629 6 L 4.2790 8.3439 121.7786 55.5137 39.3214 175.2089 7 D 4.4473 8.0600 122.0050 52.6935 41.8476 174.9217 8 V 4.0343 9.0960 119.3846 62.9203 32.0374 173.9825 9 S 5.5062 7.7464 117.8088 56.4905 64.6330 173.3307 10 S 4.4309 8.4710 124.6170 57.8447 68.9629 174.8335 11 D 4.2092 9.6337 135.0000 53.9675 41.9454 175.3934 12 R 3.9153 8.6864 128.5273 59.3810 29.8224 178.0703 13 R 3.9092 8.0594 117.4327 59.3457 30.0703 178.8416 14 K 3.7707 8.1075 119.0525 59.3576 32.1122 178.7883 15 A 3.7885 8.2012 121.4753 54.9884 18.2205 179.6334 16 R 3.9929 8.3505 117.5583 59.4331 30.0601 178.7056 17 K 3.9776 7.7077 118.9929 59.3329 32.2049 178.7616 18 A 3.9050 8.3085 121.4015 55.5369 18.1543 179.3314 19 Y 4.4345 7.8381 115.3533 60.4120 38.0705 177.8727 20 F 4.0276 8.5263 121.0437 61.7537 39.6507 176.8628 21 T 4.1276 7.9520 111.1356 62.3433 67.4467 173.5969 22 A 3.5875 7.6530 122.0812 51.7247 18.3260 175.4112 23 P 4.6022 0.0000 0.0000 62.2233 33.2761 177.5148 24 S 4.2055 8.6807 114.4933 61.9561 62.5504 177.2501 25 S 4.1447 8.0296 116.2651 61.7080 62.5500 176.5053 26 Q 4.0161 8.0587 121.0564 58.3982 28.3009 178.5640 27 R 3.9490 7.8025 118.2532 58.7540 30.2913 178.6052 28 R 3.9006 7.4784 118.1748 59.4548 29.9482 178.7659 29 V 3.5400 7.9780 118.2149 65.8663 31.2800 177.9585 30 L 3.6499 7.3571 117.5737 57.0153 41.4332 178.8034 31 L 3.5821 7.0641 120.1297 56.3164 41.9659 176.6851 32 S 4.4469 7.0113 115.4651 58.5242 63.5915 173.7879 33 A 4.8856 8.5351 125.2867 48.9919 22.5354 173.6494 34 P 4.6403 0.0000 0.0000 63.1158 32.5711 175.9420 35 L 4.8208 8.5006 122.6637 53.9229 43.2688 176.6449 36 S 4.4289 8.4803 115.4922 57.7532 64.3298 175.4121 37 K 3.9783 8.7031 121.1758 59.6093 31.3920 178.8274 38 E 3.9494 8.0990 118.5280 59.4255 29.5328 179.1370 39 L 4.1522 7.9152 118.5111 57.8629 41.6612 179.5972 40 R 4.2293 8.3068 119.2551 58.6076 29.7281 178.9972 41 A 3.9540 7.5673 119.5189 55.0684 18.4371 179.5565 42 Q 3.7954 7.1774 114.3082 59.3234 28.9216 178.0375 43 Y 4.5019 7.1637 116.0037 58.4217 38.2935 175.9968 44 G 3.8118 8.3765 106.5799 46.3688 0.0000 172.8668 45 I 4.7241 7.3773 116.7241 58.7318 41.7297 175.4048 46 K 4.3127 8.6652 123.4474 59.0948 33.1244 176.8731 47 A 5.1070 7.7109 118.7114 50.6398 22.4147 175.3281 48 L 4.8409 8.2743 119.0279 53.2439 44.6657 173.6565 49 P 4.8188 0.0000 0.0000 62.4220 31.9740 175.5772 50 I 4.4890 8.2245 114.6168 59.5188 40.5025 173.7644 51 R 4.6884 8.3330 122.2211 54.7009 32.8302 174.3932 52 R 4.3561 8.3343 116.4581 58.2034 30.7596 177.6891 53 D 4.1350 7.8750 115.0727 55.8830 41.2566 175.7725 54 D 4.7918 7.7694 119.4794 54.1251 42.8082 174.5838 55 E 5.0588 8.7896 117.8240 54.8409 33.5105 175.9355 56 V 5.0328 8.3111 120.7320 60.0101 35.4402 173.7047 57 L 5.0283 8.9811 123.4339 54.0008 43.3608 175.4707 58 V 4.0058 8.3698 122.6875 63.0548 32.0833 176.2542 59 V 3.7177 8.2304 128.7936 65.9508 31.4447 177.7330 60 R 4.0044 8.2212 117.6505 59.2106 30.3649 177.3959 61 G 3.9789 7.6470 105.7272 44.5185 0.0000 173.5883 62 S 4.1956 8.5301 112.6248 60.7589 62.3431 176.2319 63 K 4.0635 8.2016 119.5960 58.7710 32.0913 176.6407 64 K 4.0401 7.2160 118.5436 57.8779 32.4621 176.2258 65 G 4.0350 8.8412 114.1397 45.1170 0.0000 173.6651 66 Q 4.5051 7.5751 118.2334 55.3609 30.4199 174.8909 67 E 5.3093 7.7334 120.0101 53.7795 33.3096 174.8559 68 G 4.0233 8.0252 107.9358 45.6692 0.0000 172.5008 69 K 4.6018 8.0612 118.8125 55.4096 33.6819 176.3989 70 I 4.2030 7.5629 123.7662 60.6154 37.9588 175.6349 71 S 4.3063 8.6840 125.1475 61.4256 62.7905 173.8708 72 S 4.5618 7.6162 112.8718 57.6353 67.4285 173.3834 73 V 4.4554 7.9628 120.2678 61.3188 34.6063 174.1317 74 Y 3.9660 8.0555 124.7888 56.2638 39.3229 176.7719 75 R 3.9440 8.8387 125.3416 59.5176 30.7283 177.5551 76 L 4.0825 8.2409 115.9773 57.1511 41.6811 177.1941 77 K 4.2676 7.6813 120.3957 53.9626 33.1210 175.2086 78 F 3.4062 8.6361 129.2082 58.3536 39.2263 173.6271 79 A 4.8246 7.0530 128.5916 50.8195 23.2831 174.8381 80 V 4.7351 8.5664 117.8140 60.0600 35.4989 174.4633 81 Q 5.0046 8.9627 121.5574 54.2147 31.3538 174.7783 82 V 4.6516 8.1193 122.4547 60.6679 34.8972 174.2952 83 D 4.3421 9.1300 126.3089 55.3441 41.5129 176.8051 84 K 3.8059 8.7034 123.2972 56.8385 29.9760 176.2868 85 V 4.1336 7.2552 119.6757 61.3931 30.4533 174.3984 86 T 4.8311 7.9076 115.1822 59.6895 72.1240 172.2453 87 K 4.7213 8.7169 122.3757 54.5270 36.3070 173.7965 88 E 4.8595 8.5282 122.7707 54.2154 31.6854 175.8779 89 K 4.4113 8.8076 126.6941 55.1932 33.5530 178.5451 90 V 3.7017 8.3156 119.5314 64.9177 31.4176 177.4179 91 N 4.3190 8.1269 117.0623 55.0012 37.0665 175.4416 92 G 4.0027 8.3115 103.6573 44.3876 0.0000 173.8698 93 A 4.1167 8.0697 123.2895 52.1539 19.0926 175.7966 94 S 5.1769 8.4476 115.3657 56.6172 64.6446 173.6483 95 V 4.7502 8.1479 118.6640 58.5374 35.8428 173.4772 96 P 4.6890 0.0000 0.0000 62.9255 32.3315 175.2046 97 I 4.4092 7.9927 120.4754 58.9682 39.7776 175.0401 98 N 4.8397 8.6390 125.0490 53.4085 39.4769 174.3727 99 L 4.8989 8.6382 121.0931 53.1593 45.9152 175.4147 100 H 5.0448 8.7537 122.1627 54.9922 30.9100 174.5053 101 P 4.3925 0.0000 0.0000 65.4390 31.7387 178.4848 102 S 4.1105 8.0651 113.1069 61.0861 62.6326 175.2667 103 K 4.1202 8.1464 120.0112 58.7103 31.9721 176.8763 104 L 4.7637 7.2901 117.1059 53.3101 43.9768 176.4941 105 V 4.5787 8.6140 119.9134 61.2204 35.3796 174.2100 106 I 4.4850 8.3930 127.9684 60.2017 38.3769 176.2097 107 T 4.0147 8.6791 127.2019 66.1558 69.1602 175.0842 108 K 4.8643 8.4620 121.3068 54.5763 36.0944 174.8395 109 L 5.9719 8.3600 124.0324 53.3979 44.0251 175.2232 110 H 4.8118 8.8301 117.0410 54.2592 29.7877 175.4487 111 L 3.8140 8.5738 125.2353 56.7677 41.8678 177.3889 112 D 4.5058 7.8402 119.3267 53.5753 40.2118 174.7777 113 K 3.9257 8.3214 120.0077 59.5868 32.3901 178.4464 114 D 4.2878 7.8686 117.8059 57.3251 41.3021 177.9922 115 R 3.8774 7.8335 118.8239 59.1405 30.1151 178.0512 116 K 3.8139 8.0762 119.3822 59.4544 32.1339 178.6074 117 A 3.9584 7.6171 120.6906 55.0996 18.2599 179.4192 118 L 3.9100 8.3819 119.3222 58.2381 42.1416 179.0825 119 I 3.6836 8.1704 120.2998 64.5083 36.8002 178.1678 120 Q 4.0070 8.1226 119.4209 59.0923 28.9613 177.8077 121 R 4.0384 7.6970 118.8370 59.5096 30.1914 178.3708 122 K 4.2317 8.2662 117.7271 59.1713 32.1021 177.8164 123 G 3.9100 7.9790 109.6504 45.0301 0.0000 173.1007 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 4.37 0.00 2.01 1.50 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.62 0.00 2 A 8.66 4.08 1.27 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 3 K 9.29 3.73 0.00 1.94 1.89 0.00 1.47 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.50 7.81 4 Q 7.79 4.09 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.71 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 5 S 8.01 4.40 0.00 3.93 3.83 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 6 L 8.34 4.28 0.00 1.77 1.77 0.92 0.63 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 7 D 8.06 4.45 0.00 2.76 2.65 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 8 V 9.10 4.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.92 0.00 0.00 9 S 7.75 5.51 0.00 3.93 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.47 4.43 0.00 3.85 3.33 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 11 D 9.63 4.21 0.00 2.75 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 12 R 8.69 3.92 0.00 1.94 1.92 0.00 3.27 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.76 0.00 13 R 8.06 3.91 0.00 2.04 1.97 0.00 3.18 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 14 K 8.11 3.77 0.00 1.78 1.84 0.00 1.58 0.00 0.00 1.51 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.55 7.81 15 A 8.20 3.79 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.35 3.99 0.00 2.07 2.00 0.00 3.37 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.86 0.00 17 K 7.71 3.98 0.00 1.82 2.06 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.47 7.81 18 A 8.31 3.91 1.21 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 0.00 0.00 19 Y 7.84 4.43 0.00 3.12 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 20 F 8.53 4.03 0.00 3.22 3.10 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 21 T 7.95 4.13 4.43 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 1.33 0.00 0.00 22 A 7.65 3.59 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 23 P 0.00 4.60 0.00 2.29 2.21 0.00 3.73 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 24 S 8.68 4.21 0.00 3.91 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.03 4.14 0.00 4.04 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 26 Q 8.06 4.02 0.00 2.30 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.93 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 27 R 7.80 3.95 0.00 2.19 2.37 0.00 3.33 0.00 0.00 3.34 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.72 0.00 28 R 7.48 3.90 0.00 1.89 2.00 0.00 3.08 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 29 V 7.98 3.54 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 0.94 0.00 0.00 1.01 0.00 0.00 30 L 7.36 3.65 0.00 1.47 0.91 0.68 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.06 3.58 0.00 1.59 1.59 0.97 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 32 S 7.01 4.45 0.00 3.70 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 33 A 8.54 4.89 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 34 P 0.00 4.64 0.00 2.13 2.19 0.00 3.81 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 2.24 2.00 0.00 35 L 8.50 4.82 0.00 1.69 1.68 1.07 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.48 4.43 0.00 3.95 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.70 3.98 0.00 1.85 1.84 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.53 7.81 38 E 8.10 3.95 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 2.40 2.45 0.00 39 L 7.92 4.15 0.00 1.91 2.00 1.07 1.17 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 40 R 8.31 4.23 0.00 2.05 1.99 0.00 3.14 0.00 0.00 3.27 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.73 0.00 41 A 7.57 3.95 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 42 Q 7.18 3.80 0.00 1.01 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.94 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 43 Y 7.16 4.50 0.00 3.18 3.03 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 44 G 8.38 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 45 I 7.38 4.72 1.90 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 1.64 1.46 0.95 0.00 0.00 46 K 8.67 4.31 0.00 1.80 1.83 0.00 1.61 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.52 1.51 7.81 47 A 7.71 5.11 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 48 L 8.27 4.84 0.00 1.78 1.70 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.82 0.00 2.07 2.04 0.00 3.29 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.76 0.00 50 I 8.22 4.49 1.88 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.74 0.91 0.00 0.00 51 R 8.33 4.69 0.00 1.83 2.04 0.00 3.41 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 52 R 8.33 4.36 0.00 1.84 1.85 0.00 3.18 0.00 0.00 3.30 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 53 D 7.87 4.14 0.00 2.60 2.38 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 54 D 7.77 4.79 0.00 2.59 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 55 E 8.79 5.06 0.00 1.91 1.78 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 2.20 2.20 0.00 56 V 8.31 5.03 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 0.84 0.00 0.00 0.96 0.00 0.00 57 L 8.98 5.03 0.00 1.72 1.80 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.37 4.01 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 0.92 0.00 0.00 0.97 0.00 0.00 59 V 8.23 3.72 2.23 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 0.81 0.00 0.00 0.94 0.00 0.00 60 R 8.22 4.00 0.00 1.83 1.98 0.00 3.31 0.00 0.00 3.40 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 61 G 7.65 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 0.00 0.00 0.00 62 S 8.53 4.20 0.00 3.84 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 63 K 8.20 4.06 0.00 1.83 1.85 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.53 1.38 7.81 64 K 7.22 4.04 0.00 1.86 1.83 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.49 7.81 65 G 8.84 4.04 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 0.00 66 Q 7.58 4.51 0.00 2.22 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.69 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 67 E 7.73 5.31 0.00 1.79 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 2.20 2.13 0.00 68 G 8.03 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 69 K 8.06 4.60 0.00 1.68 1.71 0.00 2.03 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.20 7.81 70 I 7.56 4.20 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 1.15 0.85 0.99 0.00 0.00 71 S 8.68 4.31 0.00 3.96 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 7.62 4.56 0.00 3.75 3.27 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 73 V 7.96 4.46 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 0.72 0.00 0.00 1.02 0.00 0.00 74 Y 8.06 3.97 0.00 2.95 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 R 8.84 3.94 0.00 1.80 2.02 0.00 3.43 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.82 0.00 76 L 8.24 4.08 0.00 1.72 1.77 1.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.68 4.27 0.00 1.66 1.67 0.00 1.43 0.00 0.00 1.49 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.32 1.40 7.81 78 F 8.64 3.41 0.00 3.08 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 79 A 7.05 4.82 1.18 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 80 V 8.57 4.74 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 0.87 0.00 0.00 0.93 0.00 0.00 81 Q 8.96 5.00 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 82 V 8.12 4.65 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 1.05 0.00 0.00 0.93 0.00 0.00 83 D 9.13 4.34 0.00 2.62 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 84 K 8.70 3.81 0.00 1.96 1.94 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.41 7.81 85 V 7.26 4.13 2.24 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 0.80 0.00 0.00 0.99 0.00 0.00 86 T 7.91 4.83 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 1.21 0.00 0.00 87 K 8.72 4.72 0.00 1.88 1.66 0.00 1.45 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.38 7.81 88 E 8.53 4.86 0.00 1.97 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 2.20 2.29 0.00 89 K 8.81 4.41 0.00 1.91 1.79 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 1.48 7.81 90 V 8.32 3.70 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 0.74 0.00 0.00 0.93 0.00 0.00 91 N 8.13 4.32 0.00 2.85 3.00 0.00 0.00 6.20 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 92 G 8.31 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.07 4.12 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 94 S 8.45 5.18 0.00 3.86 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 95 V 8.15 4.75 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 0.72 0.00 0.00 0.92 0.00 0.00 96 P 0.00 4.69 0.00 2.09 2.07 0.00 3.72 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 97 I 7.99 4.41 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 1.42 0.94 0.95 0.00 0.00 98 N 8.64 4.84 0.00 2.62 2.71 0.00 0.00 6.90 7.85 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 99 L 8.64 4.90 0.00 1.63 1.53 0.93 0.92 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 0.00 100 H 8.75 5.04 0.00 3.23 3.18 0.00 5.86 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 P 0.00 4.39 0.00 2.44 2.53 0.00 3.51 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.19 0.00 102 S 8.07 4.11 0.00 3.86 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 0.00 103 K 8.15 4.12 0.00 2.03 1.86 0.00 1.81 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.46 7.81 104 L 7.29 4.76 0.00 1.47 1.60 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 105 V 8.61 4.58 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 0.97 0.00 0.00 0.94 0.00 0.00 106 I 8.39 4.48 1.88 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 1.24 1.25 0.97 0.00 0.00 107 T 8.68 4.01 4.36 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 1.22 0.00 0.00 108 K 8.46 4.86 0.00 1.81 1.64 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.41 7.81 109 L 8.36 5.97 0.00 1.56 1.54 0.74 0.63 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 0.00 110 H 8.83 4.81 0.00 3.12 3.41 0.00 5.90 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.57 3.81 0.00 1.57 1.65 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 112 D 7.84 4.51 0.00 2.83 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 0.00 113 K 8.32 3.93 0.00 1.77 1.76 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.42 7.81 114 D 7.87 4.29 0.00 2.77 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 0.00 115 R 7.83 3.88 0.00 1.88 1.97 0.00 3.27 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 116 K 8.08 3.81 0.00 2.02 1.81 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.44 7.81 117 A 7.62 3.96 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 0.00 118 L 8.38 3.91 0.00 1.76 1.65 0.91 0.98 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 0.00 119 I 8.17 3.68 1.99 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.41 0.88 0.00 0.00 120 Q 8.12 4.01 0.00 2.19 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.95 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 121 R 7.70 4.04 0.00 2.01 2.14 0.00 3.48 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 122 K 8.27 4.23 0.00 1.90 1.87 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.48 1.68 7.81 123 G 7.98 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