NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1B H 4.5336 8.3033 117.8098 54.5518 30.8484 173.0874 1C H 3.3878 8.2689 115.2338 56.9248 25.7044 172.5809 1D H 4.2214 9.2847 113.3359 57.1587 27.1988 174.3108 1E H 5.0009 7.8263 112.5724 53.7946 32.5985 173.2225 1F H 4.6061 8.9456 117.4602 56.0390 28.9057 174.2835 1 F 4.7928 8.4098 119.4653 57.8432 39.9661 174.3768 2 N 4.5863 8.4602 117.6339 52.2229 38.5372 174.4802 3 L 4.6814 7.9614 123.6732 52.1691 43.5916 174.9990 4 P 4.4595 0.0000 0.0000 61.6251 32.2189 174.3185 5 P 4.3634 0.0000 0.0000 62.4593 32.3193 175.7327 6 G 3.9444 8.7664 105.4200 44.9695 0.0000 172.4652 7 N 4.4987 7.9438 115.3093 51.3940 40.0380 174.0402 8 Y 4.8852 8.2650 118.3188 58.8013 38.8076 177.3883 9 K 4.0771 9.3190 126.2646 57.7399 31.7808 182.1349 10 K 4.7952 7.5957 118.4114 51.3718 34.6693 175.6567 11 P 4.8524 0.0000 0.0000 63.7810 32.2723 175.7577 12 K 4.9237 9.5148 120.0250 55.3072 37.4941 174.9504 13 L 5.2647 9.2244 121.8328 53.4609 44.2313 176.1005 14 L 5.0129 8.9965 123.6556 53.8286 43.0219 174.3374 15 Y 5.0031 9.1470 126.6615 56.2231 40.8097 173.7323 16 C 4.0195 8.6649 128.3677 57.9212 33.0340 174.4493 17 S 3.8233 8.4594 123.0467 62.1641 62.1173 175.9273 18 N 3.7253 6.8284 114.8065 55.9078 39.2744 174.6662 19 G 3.9330 7.5964 106.3613 44.4497 0.0000 172.5778 20 G 3.6739 7.1137 105.8171 44.7672 0.0000 173.5336 21 H 4.8382 7.4089 114.7148 53.8202 32.3164 174.2095 22 F 5.3646 9.3233 120.1937 55.8277 40.2974 175.5639 23 L 4.4863 9.5229 126.5383 55.9186 43.2892 175.7645 24 R 5.1264 9.3089 124.4197 55.0011 34.2787 173.8680 25 I 5.0609 8.2725 124.9127 59.4128 39.8198 175.6564 26 L 4.0958 8.7768 127.7644 53.4533 42.2274 176.9751 27 P 4.2291 0.0000 0.0000 65.4289 31.2655 177.4322 28 D 4.4908 7.9883 115.3341 53.7024 39.8927 177.0893 29 G 4.0637 8.3610 109.8220 45.1790 0.0000 173.6509 30 T 4.1880 8.4092 118.1036 63.3682 68.9481 173.4028 31 V 4.8309 8.2493 126.0478 61.2448 33.5677 174.3117 32 D 4.6131 8.6770 126.4742 52.9307 42.5930 173.9301 33 G 4.5266 8.6330 104.5399 45.3743 0.0000 172.2831 34 T 4.9838 9.0942 116.7323 60.3709 70.7017 174.7088 35 R 3.7886 8.8450 124.4667 57.2047 31.1246 176.3150 36 D 4.5632 8.1342 120.2244 54.0231 40.1056 177.4749 37 R 3.6666 8.5548 126.0556 58.1614 29.5528 175.1728 38 S 4.3318 8.5290 110.0318 59.9729 63.5293 174.3350 39 D 4.3111 7.9910 124.2339 55.6639 41.2539 176.4762 40 Q 4.3562 8.4248 122.1251 55.3519 28.7417 174.7446 41 H 4.8406 9.4093 115.6788 56.5276 29.2814 174.7578 42 I 4.5222 7.0456 110.3778 59.9371 38.4908 175.0530 43 Q 4.3191 7.2895 123.1798 55.0183 30.3215 174.5750 44 F 5.4160 8.9759 122.3179 55.6486 43.4615 173.9467 45 Q 4.8482 9.6487 125.2114 54.5733 30.3369 174.5378 46 L 5.3275 8.8295 126.6754 53.6812 43.3242 176.3529 47 S 4.5023 8.2018 114.2421 57.0575 66.7766 172.2325 48 A 4.7226 8.2057 122.6259 51.5481 20.2990 174.7455 49 E 3.8158 9.2806 125.9116 57.3644 29.0354 178.5523 50 S 4.6516 5.8100 113.2167 56.4761 65.6307 173.7540 51 V 3.8708 8.1542 121.5612 64.6746 31.6537 176.2434 52 G 3.9656 9.2444 115.1124 45.1811 0.0000 171.8007 53 E 4.9993 8.4036 120.7689 54.7981 31.4672 175.6148 54 V 4.8593 8.7490 117.4336 59.7319 36.3563 174.2475 55 Y 5.1237 8.5862 120.0002 56.5859 40.9277 175.2712 56 I 4.3978 8.5579 122.7458 59.6198 39.9952 173.8641 57 K 4.5433 8.5981 129.2893 54.1623 34.6229 175.1382 58 S 4.6454 8.8710 123.3719 58.3271 62.5294 174.6769 59 T 3.8796 8.4417 119.3921 64.9109 68.5693 175.7854 60 E 4.0065 8.2193 122.2525 58.5118 29.8723 177.1364 61 T 4.2606 7.7556 106.4272 60.8175 70.1110 175.6973 62 G 3.8154 8.5000 109.7149 45.3141 0.0000 173.6175 63 Q 4.4963 7.5594 119.0729 55.9542 30.3057 174.5793 64 Y 4.8560 8.6645 118.6426 55.9532 41.3376 175.1413 65 L 4.3998 8.7323 125.2619 55.2530 43.3888 175.6684 66 A 5.2342 8.6654 126.3778 50.6930 23.3044 174.4135 67 M 5.4163 8.5649 119.0556 53.8651 35.0520 175.3869 68 D 5.3686 9.7900 126.4222 51.9481 40.9246 177.0435 69 T 4.2179 8.5614 108.3988 63.8070 68.6102 174.4081 70 D 4.7612 8.5534 121.3990 54.0325 41.3345 177.2500 71 G 2.9741 8.4620 108.1592 44.8590 0.0000 173.0596 72 L 4.6706 7.6050 119.9138 53.6067 43.4603 175.7460 73 V 4.8786 8.3681 123.5317 62.3654 32.8597 174.3020 74 Y 4.8838 9.0751 124.9640 56.0332 42.1677 173.4660 75 G 4.2897 9.0176 108.0864 45.2369 0.0000 173.5248 76 S 5.1283 8.9690 121.4108 56.9791 64.1944 175.2245 77 Q 4.2365 8.9586 123.6876 57.9853 28.9955 176.4310 78 T 4.6093 7.8080 106.6775 58.6984 71.6745 171.7643 79 P 3.8287 0.0000 0.0000 61.6686 31.5649 174.6886 80 N 4.9808 8.0885 121.2202 51.0521 40.4342 174.1135 81 E 3.8824 8.8634 114.3504 59.8692 29.1204 178.4524 82 E 4.0795 9.0127 118.4268 57.9885 29.7267 177.6444 83 C 5.1725 7.8835 115.0067 59.2823 29.1850 173.6623 84 L 4.2401 7.2566 121.0412 54.2276 42.3939 176.0175 85 F 5.0371 8.9568 121.9309 55.5366 43.1100 174.6932 86 L 4.7698 9.2384 123.5413 53.7924 42.3247 175.5126 87 E 4.3234 8.6426 126.6346 55.4683 30.0806 175.8631 88 R 4.8271 8.5304 125.2427 54.0191 34.8787 174.5873 89 L 4.7058 8.8945 123.5369 55.2263 43.1828 175.8867 90 E 4.6275 9.0792 125.1046 55.2809 33.2522 175.0465 91 E 3.9435 9.6699 124.6423 57.5269 27.2091 174.8082 92 N 4.6697 8.6744 111.6078 54.3115 36.4052 173.9479 93 H 4.7321 7.9414 116.0324 57.6247 35.3445 173.3312 94 Y 4.5554 8.4241 116.8048 57.1941 40.3256 174.0000 95 N 5.5084 9.1263 118.0117 51.9769 41.0799 174.6476 96 T 5.3028 8.6926 112.6929 60.1582 73.0572 172.5677 97 Y 5.1552 8.6344 118.8275 56.6855 41.7249 174.1542 98 I 4.7211 8.4462 125.7507 59.0050 39.8792 175.3594 99 S 3.5245 8.7230 121.8957 58.5455 62.1034 174.1497 100 K 3.8713 8.6706 129.3965 59.2557 32.3223 178.7217 101 K 3.7471 7.8508 118.5414 59.0511 32.3442 176.9419 102 H 4.7964 8.1445 114.7837 54.0749 29.5029 176.4575 103 A 3.9392 7.6033 125.6234 55.2295 18.2440 180.8628 104 E 3.9985 8.0649 113.2775 58.8594 29.7214 178.2760 105 K 4.1719 7.5596 116.6222 55.3485 32.7737 175.8887 106 N 3.8226 7.4734 115.9739 53.8964 36.5171 174.8715 107 W 5.0126 7.5325 117.4090 55.8115 31.0349 177.7079 108 F 5.4824 9.0850 123.8201 55.5754 41.2312 175.2230 109 L 4.4090 8.9527 123.4232 54.9895 42.5162 176.2133 110 G 4.4879 8.5494 111.0842 45.2715 0.0000 171.3950 111 L 5.2539 8.2461 121.3244 52.3352 44.4671 177.2479 112 K 4.1908 9.0161 123.5826 55.8028 32.6932 178.2866 113 K 4.0208 8.4418 119.4333 58.6995 31.9766 177.7784 114 N 4.6595 8.1194 114.8262 52.2424 37.7717 176.0053 115 G 3.6533 8.1436 108.6504 45.2944 0.0000 173.4946 116 S 4.8973 7.9663 115.7738 57.2312 64.6731 174.3962 117 V 4.2220 8.2929 122.5731 61.9265 31.8978 175.9377 118 K 4.3677 9.1317 123.4215 55.9623 33.4740 176.7096 119 R 4.3314 8.3599 121.1688 54.9524 31.5840 177.6842 120 G 3.4249 8.6429 112.8541 48.2969 0.0000 174.0461 121 P 4.3845 0.0000 0.0000 64.2644 31.4086 177.2528 122 R 4.4382 8.1882 116.4495 55.9889 30.2748 176.0485 123 T 5.2799 7.6124 108.1969 59.7617 71.0776 173.4386 124 H 4.8846 7.9660 115.1173 54.6656 30.8021 172.8785 125 Y 4.0509 8.7604 119.0184 60.1376 38.1376 176.8192 126 G 4.1138 9.0219 111.2672 45.6387 0.0000 174.0797 127 Q 4.2136 7.5139 118.7363 55.1850 29.5871 177.2255 128 K 3.5365 8.3294 119.4897 58.5998 32.7869 179.3730 129 A 3.9485 7.7689 121.8722 54.4085 18.4133 178.6003 130 I 4.3768 6.8120 107.1481 61.5176 38.4478 175.5879 131 L 4.4383 7.3021 123.1729 54.0670 42.7615 175.9247 132 F 5.4421 9.3224 121.7723 55.8255 43.9254 174.3241 133 L 5.1411 9.0145 119.6281 52.8936 45.9820 173.9104 134 P 5.0968 0.0000 0.0000 62.9120 31.9392 175.6399 135 L 4.8640 9.3763 125.4626 52.1977 44.2825 174.7625 136 P 4.7053 0.0000 0.0000 62.5448 32.4401 177.0303 137 V 3.8328 8.1852 114.3151 61.6997 31.6889 176.2626 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 1B H 8.30 4.53 0.00 3.09 3.49 0.00 5.74 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1C H 8.27 3.39 0.00 3.42 3.33 0.00 5.85 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1D H 9.28 4.22 0.00 3.28 3.32 0.00 5.64 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1E H 7.83 5.00 0.00 3.34 3.21 0.00 5.66 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1F H 8.95 4.61 0.00 3.33 3.42 0.00 5.66 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 F 8.41 4.79 0.00 2.81 3.04 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 2 N 8.46 4.59 0.00 2.93 2.78 0.00 0.00 6.92 6.74 0.00 0.00 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 L 7.96 4.68 0.00 1.44 1.40 0.50 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.46 0.00 2.14 2.15 0.00 3.67 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 1.95 1.87 0.00 5 P 0.00 4.36 0.00 2.16 2.06 0.00 3.69 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 1.94 1.92 0.00 6 G 8.77 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 7 N 7.94 4.50 0.00 2.62 2.65 0.00 0.00 5.89 7.55 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 8 Y 8.26 4.89 0.00 3.03 3.16 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 0.00 0.00 0.00 9 K 9.32 4.08 0.00 1.72 1.74 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.40 1.27 7.81 10 K 7.60 4.80 0.00 1.74 1.58 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.25 0.99 7.81 11 P 0.00 4.85 0.00 1.95 2.02 0.00 3.89 0.00 0.00 3.79 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 12 K 9.51 4.92 0.00 1.72 1.78 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.53 7.81 13 L 9.22 5.26 0.00 1.77 1.78 0.69 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 14 L 9.00 5.01 0.00 1.62 1.70 0.28 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 9.15 5.00 0.00 3.21 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 16 C 8.66 4.02 0.00 2.06 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 17 S 8.46 3.82 0.00 3.67 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 18 N 6.83 3.73 0.00 2.53 2.63 0.00 0.00 6.73 7.98 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 19 G 7.60 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 7.11 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 21 H 7.41 4.84 0.00 3.03 3.43 0.00 5.80 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 9.32 5.36 0.00 3.19 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 23 L 9.52 4.49 0.00 1.90 1.69 0.88 -0.17 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 24 R 9.31 5.13 0.00 2.01 2.07 0.00 3.15 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.86 0.00 25 I 8.27 5.06 2.01 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 1.33 1.15 0.97 0.00 0.00 26 L 8.78 4.10 0.00 1.87 1.53 0.93 0.74 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 27 P 0.00 4.23 0.00 2.02 2.10 0.00 3.51 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.02 0.00 28 D 7.99 4.49 0.00 2.79 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 29 G 8.36 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 30 T 8.41 4.19 4.33 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 1.24 0.00 0.00 31 V 8.25 4.83 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 0.83 0.00 0.00 0.94 0.00 0.00 32 D 8.68 4.61 0.00 2.87 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 33 G 8.63 4.53 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 0.00 34 T 9.09 4.98 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 1.36 0.00 0.00 35 R 8.84 3.79 0.00 1.89 2.02 0.00 3.22 0.00 0.00 3.12 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.47 0.00 36 D 8.13 4.56 0.00 2.81 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 37 R 8.55 3.67 0.00 1.87 1.83 0.00 3.31 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 38 S 8.53 4.33 0.00 3.90 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 39 D 7.99 4.31 0.00 2.79 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.42 4.36 0.00 2.10 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.16 0.00 0.00 0.00 0.00 0.00 2.21 1.93 0.00 41 H 9.41 4.84 0.00 3.24 3.39 0.00 5.74 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.05 4.52 1.93 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 1.27 0.96 1.07 0.00 0.00 43 Q 7.29 4.32 0.00 1.86 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.73 6.89 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 44 F 8.98 5.42 0.00 3.02 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 45 Q 9.65 4.85 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.88 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 46 L 8.83 5.33 0.00 1.71 1.38 0.96 1.08 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 47 S 8.20 4.50 0.00 3.88 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 A 8.21 4.72 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 9.28 3.82 0.00 1.60 1.70 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 2.24 2.31 0.00 50 S 5.81 4.65 0.00 4.01 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.15 3.87 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 0.90 0.00 0.00 1.03 0.00 0.00 52 G 9.24 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.40 5.00 0.00 2.06 1.74 0.00 0.00 0.00 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 54 V 8.75 4.86 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 0.79 0.00 0.00 1.12 0.00 0.00 55 Y 8.59 5.12 0.00 3.00 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 56 I 8.56 4.40 1.56 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.53 0.27 0.00 0.00 57 K 8.60 4.54 0.00 1.35 1.59 0.00 1.28 0.00 0.00 0.98 0.00 0.00 2.77 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.01 0.53 7.81 58 S 8.87 4.65 0.00 4.02 3.84 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 59 T 8.44 3.88 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 1.16 0.00 0.00 60 E 8.22 4.01 0.00 1.90 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 2.20 2.33 0.00 61 T 7.76 4.26 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 62 G 8.50 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.56 4.50 0.00 1.99 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.70 0.00 0.00 0.00 0.00 0.00 2.55 2.36 0.00 64 Y 8.66 4.86 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 65 L 8.73 4.40 0.00 1.48 1.33 0.70 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.67 5.23 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 M 8.56 5.42 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.64 0.00 68 D 9.79 5.37 0.00 3.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 T 8.56 4.22 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 1.33 0.00 0.00 70 D 8.55 4.76 0.00 2.80 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 71 G 8.46 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 7.61 4.67 0.00 1.92 1.61 0.83 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 73 V 8.37 4.88 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 0.84 0.00 0.00 0.99 0.00 0.00 74 Y 9.08 4.88 0.00 3.02 3.02 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 75 G 9.02 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 0.00 0.00 0.00 0.00 76 S 8.97 5.13 0.00 4.05 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 77 Q 8.96 4.24 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.56 0.00 0.00 0.00 0.00 0.00 2.44 2.34 0.00 78 T 7.81 4.61 4.16 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 0.00 0.00 1.22 0.00 0.00 79 P 0.00 3.83 0.00 1.19 0.49 0.00 3.43 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.91 0.00 80 N 8.09 4.98 0.00 2.90 2.91 0.00 0.00 5.94 7.66 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 81 E 8.86 3.88 0.00 2.11 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 0.00 2.36 2.33 0.00 82 E 9.01 4.08 0.00 2.18 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 0.00 2.38 2.45 0.00 83 C 7.88 5.17 0.00 3.26 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.26 4.24 0.00 1.50 1.33 0.76 -0.16 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 85 F 8.96 5.04 0.00 3.06 3.08 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 0.00 0.00 0.00 0.00 86 L 9.24 4.77 0.00 1.52 1.62 0.87 0.83 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 87 E 8.64 4.32 0.00 2.17 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 2.16 1.76 0.00 88 R 8.53 4.83 0.00 1.78 1.81 0.00 3.17 0.00 0.00 2.91 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.62 0.00 89 L 8.89 4.71 0.00 1.55 1.66 0.99 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 90 E 9.08 4.63 0.00 2.24 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 2.30 2.43 0.00 91 E 9.67 3.94 0.00 2.49 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 0.00 2.35 2.38 0.00 92 N 8.67 4.67 0.00 2.88 2.91 0.00 0.00 6.82 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 93 H 7.94 4.73 0.00 2.93 3.10 0.00 5.94 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 8.42 4.56 0.00 3.06 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 95 N 9.13 5.51 0.00 2.90 2.47 0.00 0.00 6.95 6.61 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 96 T 8.69 5.30 4.54 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 1.37 0.00 0.00 97 Y 8.63 5.16 0.00 2.70 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.45 4.72 1.65 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.29 0.57 0.63 0.00 0.00 99 S 8.72 3.52 0.00 3.87 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 0.00 100 K 8.67 3.87 0.00 1.62 1.65 0.00 1.62 0.00 0.00 1.40 0.00 0.00 2.68 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.21 1.08 7.81 101 K 7.85 3.75 0.00 1.56 1.56 0.00 1.71 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.05 1.29 7.81 102 H 8.14 4.80 0.00 3.07 2.35 0.00 5.70 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 0.00 103 A 7.60 3.94 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 0.00 104 E 8.06 4.00 0.00 2.08 2.18 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 2.17 2.16 0.00 105 K 7.56 4.17 0.00 0.79 1.37 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.45 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.02 0.92 7.81 106 N 7.47 3.82 0.00 2.93 2.86 0.00 0.00 6.88 7.84 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 0.00 107 W 7.53 5.01 0.00 3.20 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 0.00 108 F 9.08 5.48 0.00 2.85 3.04 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 0.00 109 L 8.95 4.41 0.00 1.35 1.44 0.72 0.03 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 0.00 110 G 8.55 4.49 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 0.00 111 L 8.25 5.25 0.00 1.36 1.42 0.98 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 112 K 9.02 4.19 0.00 1.96 1.69 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.56 7.81 113 K 8.44 4.02 0.00 1.71 1.85 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.42 7.81 114 N 8.12 4.66 0.00 2.79 2.89 0.00 0.00 6.18 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 0.00 115 G 8.14 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 0.00 0.00 0.00 116 S 7.97 4.90 0.00 3.92 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 V 8.29 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 0.76 0.00 0.00 1.04 0.00 0.00 118 K 9.13 4.37 0.00 1.73 1.75 0.00 1.63 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.38 7.81 119 R 8.36 4.33 0.00 1.73 1.61 0.00 3.07 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 120 G 8.64 3.42 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 0.00 121 P 0.00 4.38 0.00 1.98 2.20 0.00 2.93 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 122 R 8.19 4.44 0.00 1.81 1.93 0.00 3.29 0.00 0.00 3.27 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 123 T 7.61 5.28 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 1.38 0.00 0.00 124 H 7.97 4.88 0.00 3.47 3.53 0.00 5.67 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.76 4.05 0.00 3.13 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 0.00 126 G 9.02 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 0.00 0.00 0.00 0.00 127 Q 7.51 4.21 0.00 1.82 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.77 0.00 0.00 0.00 0.00 0.00 2.17 1.93 0.00 128 K 8.33 3.54 0.00 1.79 1.66 0.00 1.55 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.28 7.81 129 A 7.77 3.95 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 130 I 6.81 4.38 1.58 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.41 0.49 0.00 0.00 131 L 7.30 4.44 0.00 1.02 0.74 0.29 1.22 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 0.00 132 F 9.32 5.44 0.00 3.39 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 0.00 133 L 9.01 5.14 0.00 1.91 1.66 1.28 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 5.10 0.00 2.18 2.24 0.00 3.82 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 135 L 9.38 4.86 0.00 1.73 1.67 0.88 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.71 0.00 1.94 1.99 0.00 3.68 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 137 V 8.19 3.83 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 0.70 0.00 0.00 0.91 0.00 0.00