NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4886 8.3349 115.4195 57.8594 64.3689 173.1550 2 L 4.2259 8.3150 123.0375 52.7048 42.4822 176.2532 3 S 4.5001 9.3805 120.5189 57.1071 66.4114 174.8987 4 A 3.9467 8.5170 123.7974 55.6781 17.9474 179.9350 5 K 3.8579 8.0269 117.1054 59.5936 32.1820 178.5428 6 D 4.6834 7.9765 120.6268 56.7244 40.7309 178.8764 7 K 3.8085 8.1660 118.6728 59.4954 32.1328 179.2261 8 A 3.9643 8.1806 121.1376 55.1848 18.1743 179.5593 9 N 4.2513 8.0239 114.9298 56.3735 38.6223 177.6477 10 V 3.6276 7.9343 119.8532 66.1208 31.3431 178.1522 11 K 3.8840 7.8543 116.3745 59.2747 32.2710 178.8095 12 A 4.1342 7.9114 120.8993 55.3865 18.2866 179.5700 13 I 3.5763 7.8289 116.9906 64.0136 38.0152 178.0663 14 W 3.8229 8.8179 119.9034 59.2207 28.5323 178.5100 15 G 3.6139 7.6820 104.9481 47.6002 0.0000 175.3534 16 K 3.9784 7.6206 119.6662 58.5575 32.4150 179.1693 17 I 3.7109 6.8231 119.6439 63.9874 36.9978 177.9307 18 L 3.9607 7.8627 120.0897 57.7324 41.3521 177.9677 19 P 4.3572 0.0000 0.0000 64.5426 31.3053 177.1994 20 K 4.4938 7.8861 116.1561 56.1418 32.7701 177.8770 21 S 4.0095 8.1806 116.3977 61.9078 62.1411 176.0686 22 D 4.3102 7.9969 120.7606 57.3348 40.5046 178.3372 23 E 3.8820 7.9453 119.3060 59.2275 29.6739 178.6724 24 I 3.3978 7.8169 120.3335 64.0823 37.0878 178.6887 25 G 3.5467 8.1586 106.6678 47.7018 0.0000 175.3438 26 E 3.9335 8.1775 121.9891 59.0799 29.6619 178.9467 27 Q 3.9810 8.3495 118.0900 58.8274 28.7990 178.6879 28 A 3.9710 8.2684 122.0604 55.1044 18.4714 179.4710 29 L 3.9303 8.0138 118.8412 58.3645 42.1154 179.0838 30 S 4.1639 8.3243 115.3908 61.9843 62.7479 177.1361 31 R 4.0080 8.1039 120.4944 59.3058 29.8632 178.7657 32 M 4.2567 8.2812 118.0717 58.7407 32.3426 178.3291 33 L 4.0580 8.1450 119.1379 57.8358 41.5987 179.7023 34 V 3.6651 7.6655 116.8995 65.8289 31.6606 177.8961 35 V 3.7335 7.9651 116.9504 64.2423 33.0057 175.6590 36 Y 4.6666 7.7693 115.5436 54.9644 38.0035 174.3417 37 P 4.9444 0.0000 0.0000 64.2699 31.9967 178.1916 38 Q 4.0687 8.3191 118.1616 59.7847 28.1491 178.5681 39 T 4.3765 8.3637 111.0376 63.9712 69.0414 176.6564 40 K 4.2105 8.2032 121.4163 58.9651 31.7424 178.5247 41 A 3.8207 7.2978 119.3948 54.7938 18.1874 178.1916 42 Y 4.1520 7.1475 112.0334 58.0527 38.4337 176.0076 43 F 4.2427 7.5818 118.2485 56.7012 40.2313 176.9148 44 S 4.2705 8.0149 116.6442 60.6460 63.0297 174.8076 45 H 4.4921 8.1102 115.5347 56.9025 29.2422 175.7388 46 W 4.6125 7.9800 121.1517 56.2749 29.5520 177.0735 47 A 4.0166 8.6229 123.8415 55.2400 18.1152 178.0783 48 S 4.7367 7.5135 105.4657 57.6002 65.5374 174.0193 49 V 4.5651 8.3738 117.7614 61.0657 32.4174 175.8016 50 A 4.2975 8.1502 123.8066 50.8481 18.9681 176.3892 51 P 4.6869 0.0000 0.0000 63.4360 31.7580 177.3394 52 G 3.8979 8.8175 110.4597 45.9636 0.0000 174.4623 53 S 4.3031 7.8480 115.2737 57.7025 64.8986 175.0759 54 A 3.8662 8.3541 124.0417 55.0283 18.1842 178.3033 55 P 3.6333 0.0000 0.0000 65.3463 31.2394 179.0941 56 V 3.3908 7.1278 116.0368 65.6639 31.5748 178.1587 57 K 3.8476 8.4523 118.5957 59.3048 31.8679 179.1299 58 K 3.8211 7.9263 119.7742 59.9022 32.0767 178.3735 59 H 4.3732 8.0858 118.5787 58.8757 29.7438 177.1128 60 G 3.7670 8.4013 108.1866 48.0783 0.0000 175.6223 61 I 3.7125 7.6075 121.5611 64.3171 37.0603 178.4880 62 T 3.8551 7.6364 116.1605 66.7786 68.3325 176.5365 63 I 3.6756 7.8156 121.4403 64.8311 37.1904 178.4572 64 M 4.1931 8.2196 119.3994 58.4031 31.7640 178.3456 65 N 4.3261 8.7561 117.0481 56.6079 38.7832 177.1118 66 Q 4.0068 7.9346 120.1757 59.4057 29.0984 178.3988 67 I 3.8248 8.0027 120.8193 64.4105 36.9019 178.0224 68 D 4.5423 8.7796 119.2990 57.7857 40.8923 178.4688 69 D 4.5501 8.2350 119.2130 57.4843 40.7781 178.5891 70 C 4.1362 8.2743 117.4830 62.6859 27.8684 176.0916 71 V 3.1591 7.2653 119.1013 65.3770 30.8963 177.2779 72 G 3.8916 7.2622 102.8600 44.6982 0.0000 173.3507 73 H 4.6967 8.1355 117.8004 55.5741 30.1642 175.0876 74 M 4.3392 8.0265 119.3232 57.0014 32.2341 177.5073 75 D 4.5098 7.8977 117.9102 56.8166 41.4611 176.6156 76 D 4.8871 7.7472 117.6647 52.3298 42.9135 175.3199 77 L 4.1927 8.1549 123.7682 57.3351 41.9194 178.7930 78 F 4.0769 8.5432 116.7527 60.4337 39.1490 177.2903 79 G 3.9941 8.5077 106.1009 47.3762 0.0000 175.0435 80 F 4.2502 8.0730 122.2023 60.5033 39.6366 176.2394 81 L 4.2121 8.0317 116.0836 54.6718 41.7093 178.2584 82 T 3.8621 7.4553 117.8583 66.9762 68.5003 176.2728 83 K 3.9211 7.8332 119.4143 59.3386 32.1718 179.1255 84 L 3.9550 7.6865 120.2023 57.8689 42.0512 178.7574 85 S 4.2570 8.5389 114.8806 60.9038 62.2978 175.7510 86 E 3.8528 8.2718 121.4251 59.4552 29.2159 179.2734 87 L 3.8740 7.9103 119.9378 58.6280 42.1956 178.8146 88 H 4.1556 8.3485 115.8870 58.5280 28.1100 177.8275 89 A 2.9680 7.8119 122.6059 54.7979 17.9822 179.4800 90 T 3.9522 7.6110 112.4523 65.7441 69.2296 176.9383 91 K 4.1060 7.7501 119.2428 58.7643 32.6983 177.8550 92 L 4.2034 7.9128 117.3012 54.0987 42.9425 176.7865 93 R 3.9476 7.6444 115.9036 55.8846 27.9615 176.8158 94 V 3.3406 7.5349 116.1074 61.3064 32.8385 174.5576 95 D 4.2962 8.8491 127.5906 53.9836 41.4387 175.2713 96 P 2.9700 0.0000 0.0000 64.7221 30.5066 178.1618 97 T 3.7955 7.7513 110.0614 64.6933 68.4031 175.8080 98 N 4.4498 7.6624 118.9918 55.6111 38.4800 177.1567 99 F 4.4862 7.4297 120.0028 60.4938 38.8880 177.6709 100 K 4.0835 7.6874 118.7710 59.7425 32.3545 179.4350 101 I 3.4155 7.5012 120.7832 64.0761 37.1116 177.7834 102 L 3.9457 7.9256 120.9370 58.1099 41.9280 178.7796 103 A 4.0146 8.0190 120.6654 55.3664 18.3110 179.0093 104 H 4.0934 8.4335 116.8018 59.7206 30.0272 177.2541 105 N 4.3164 8.0454 118.0617 56.1595 38.3216 177.2168 106 L 3.9653 8.1006 121.8294 58.1222 42.2157 179.0592 107 I 3.5936 7.8293 119.8135 64.2502 37.0631 178.4556 108 V 3.5192 7.7454 119.0366 66.0382 31.2548 178.3123 109 V 3.6315 7.7140 117.7902 65.9979 31.3331 177.9036 110 I 3.6126 8.0746 119.6865 64.3210 36.4419 178.1176 111 A 3.8314 7.4156 121.1067 55.1521 17.9751 179.5606 112 A 3.8391 7.6952 117.8967 55.5330 18.5108 179.1561 113 Y 3.4991 7.9451 114.2712 59.4021 39.4753 176.2780 114 F 5.1189 8.3002 117.7315 55.3741 39.7025 173.7605 115 P 4.4886 0.0000 0.0000 65.2856 31.9139 178.4941 116 A 4.1921 8.1440 120.6942 54.8086 18.4768 178.2879 117 E 4.1903 8.2502 113.8649 58.7720 30.5312 177.3920 118 F 4.6011 8.1545 122.9817 57.2806 38.1855 175.1252 119 T 4.1263 7.2764 114.7105 60.7789 71.3062 173.2334 120 P 4.1374 0.0000 0.0000 66.0333 31.3534 178.7964 121 E 3.9646 8.0258 116.6226 59.3760 29.3458 179.3347 122 I 3.6892 7.3967 120.0238 64.4921 37.0828 177.8726 123 H 3.6205 8.1418 119.3513 58.8983 29.4872 176.8719 124 L 3.9175 8.1681 122.4026 58.3879 42.0411 179.0604 125 S 4.2796 7.9352 114.7001 61.8116 62.8227 176.9849 126 V 3.9643 8.2740 121.0855 66.1391 31.2302 177.5575 127 D 4.5079 8.7911 118.2812 57.2007 41.1102 178.3088 128 K 3.9904 8.4981 119.3783 59.4101 32.0144 178.7849 129 F 4.3297 8.5514 121.0239 61.7503 39.2487 177.3211 130 L 3.4900 8.4702 118.6457 57.5194 41.2528 179.5967 131 Q 3.9775 8.4557 118.7307 58.7820 28.5384 178.4505 132 Q 3.9549 8.1716 120.6767 59.0250 29.1697 177.8567 133 L 3.6366 7.8957 121.4280 57.9740 42.0957 178.7473 134 A 3.7323 8.0616 120.8906 55.2500 18.2291 179.5979 135 L 3.9276 8.0590 117.3655 57.8868 41.4210 179.7119 136 A 2.7392 7.3555 120.3004 54.3745 18.0095 179.1992 137 L 3.7586 7.6631 118.4324 57.3914 42.0291 178.2938 138 A 4.3825 7.6409 119.5343 53.2056 18.7313 178.6279 139 E 4.1186 7.6081 117.9943 58.9323 29.7061 177.5326 140 K 4.5195 8.2434 115.9593 56.3866 32.2669 176.1227 141 Y 4.1371 7.9411 116.8743 58.4315 38.6676 175.9863 142 R 4.2217 8.6181 120.8995 56.9552 30.3198 176.2228 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 S 8.33 4.49 0.00 4.01 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 2 L 8.31 4.23 0.00 1.77 1.65 1.02 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.38 4.50 0.00 4.05 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 4 A 8.52 3.95 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.03 3.86 0.00 1.87 1.81 0.00 1.61 0.00 0.00 1.81 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.59 7.81 6 D 7.98 4.68 0.00 2.98 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 7 K 8.17 3.81 0.00 1.94 1.77 0.00 1.64 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.51 7.81 8 A 8.18 3.96 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 9 N 8.02 4.25 0.00 3.03 2.90 0.00 0.00 6.59 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.93 3.63 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 0.22 0.00 0.00 0.85 0.00 0.00 11 K 7.85 3.88 0.00 1.71 1.82 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.35 1.30 7.81 12 A 7.91 4.13 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 I 7.83 3.58 1.98 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.24 1.32 0.00 0.00 14 W 8.82 3.82 0.00 3.57 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 15 G 7.68 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.62 3.98 0.00 0.79 0.74 0.00 1.60 0.00 0.00 1.62 0.00 0.00 3.15 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.20 1.30 7.81 17 I 6.82 3.71 0.85 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.02 0.29 0.00 0.00 18 L 7.86 3.96 0.00 1.73 1.76 1.01 1.45 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 19 P 0.00 4.36 0.00 2.05 2.14 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.18 0.00 20 K 7.89 4.49 0.00 1.75 1.58 0.00 1.76 0.00 0.00 1.59 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.44 7.81 21 S 8.18 4.01 0.00 4.02 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 22 D 8.00 4.31 0.00 2.77 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 E 7.95 3.88 0.00 1.96 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 2.16 2.37 0.00 24 I 7.82 3.40 1.74 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 -0.36 0.74 0.00 0.00 25 G 8.16 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.18 3.93 0.00 2.10 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 2.28 2.46 0.00 27 Q 8.35 3.98 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.51 2.71 0.00 28 A 8.27 3.97 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 29 L 8.01 3.93 0.00 1.82 1.70 0.86 1.07 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 30 S 8.32 4.16 0.00 4.08 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 31 R 8.10 4.01 0.00 2.12 2.19 0.00 3.26 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 32 M 8.28 4.26 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.72 0.00 33 L 8.15 4.06 0.00 1.92 1.74 0.93 0.58 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 34 V 7.67 3.67 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 0.79 0.00 0.00 0.97 0.00 0.00 35 V 7.97 3.73 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 0.38 0.00 0.00 0.97 0.00 0.00 36 Y 7.77 4.67 0.00 3.28 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 37 P 0.00 4.94 0.00 2.28 2.32 0.00 3.86 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 2.08 1.87 0.00 38 Q 8.32 4.07 0.00 2.31 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.96 0.00 0.00 0.00 0.00 0.00 2.71 2.47 0.00 39 T 8.36 4.38 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 1.42 0.00 0.00 40 K 8.20 4.21 0.00 1.99 1.96 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.54 1.64 7.81 41 A 7.30 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 Y 7.15 4.15 0.00 1.88 2.30 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 43 F 7.58 4.24 0.00 2.69 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.01 4.27 0.00 3.97 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 45 H 8.11 4.49 0.00 3.38 3.46 0.00 5.53 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 46 W 7.98 4.61 0.00 3.57 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 47 A 8.62 4.02 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 48 S 7.51 4.74 0.00 3.89 3.71 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 49 V 8.37 4.57 2.17 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 0.95 0.00 0.00 1.00 0.00 0.00 50 A 8.15 4.30 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 51 P 0.00 4.69 0.00 2.06 2.03 0.00 3.84 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 2.04 2.07 0.00 52 G 8.82 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 0.00 0.00 0.00 53 S 7.85 4.30 0.00 4.05 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 54 A 8.35 3.87 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 55 P 0.00 3.63 0.00 1.75 1.26 0.00 3.42 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 2.24 1.96 0.00 56 V 7.13 3.39 2.15 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 1.12 0.00 0.00 1.08 0.00 0.00 57 K 8.45 3.85 0.00 1.90 1.78 0.00 1.68 0.00 0.00 1.54 0.00 0.00 3.08 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.52 7.81 58 K 7.93 3.82 0.00 1.79 1.71 0.00 1.50 0.00 0.00 1.40 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.38 7.81 59 H 8.09 4.37 0.00 3.14 3.36 0.00 5.86 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 G 8.40 3.77 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 0.00 0.00 0.00 61 I 7.61 3.71 2.04 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.70 0.95 0.00 0.00 62 T 7.64 3.86 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 1.25 0.00 0.00 63 I 7.82 3.68 2.02 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.91 0.95 0.00 0.00 64 M 8.22 4.19 0.00 2.10 2.23 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.75 0.00 65 N 8.76 4.33 0.00 3.00 2.93 0.00 0.00 6.66 7.31 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 66 Q 7.93 4.01 0.00 2.15 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 67 I 8.00 3.82 2.10 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 1.51 1.46 1.16 0.00 0.00 68 D 8.78 4.54 0.00 2.91 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 69 D 8.24 4.55 0.00 3.12 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 70 C 8.27 4.14 0.00 3.37 3.22 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 71 V 7.27 3.16 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 0.42 0.00 0.00 -0.54 0.00 0.00 72 G 7.26 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 0.00 0.00 0.00 0.00 73 H 8.14 4.70 0.00 2.49 2.73 0.00 5.61 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 74 M 8.03 4.34 0.00 1.94 1.98 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.44 0.00 75 D 7.90 4.51 0.00 2.63 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 76 D 7.75 4.89 0.00 2.74 2.56 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 77 L 8.15 4.19 0.00 1.82 1.71 1.05 1.27 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 78 F 8.54 4.08 0.00 2.95 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 79 G 8.51 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 0.00 0.00 0.00 80 F 8.07 4.25 0.00 3.04 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 81 L 8.03 4.21 0.00 1.67 1.48 0.82 0.39 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 82 T 7.46 3.86 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 83 K 7.83 3.92 0.00 1.69 1.78 0.00 1.62 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.44 7.81 84 L 7.69 3.95 0.00 1.62 1.65 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 85 S 8.54 4.26 0.00 4.01 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 86 E 8.27 3.85 0.00 2.24 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 2.28 2.29 0.00 87 L 7.91 3.87 0.00 1.89 1.78 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 88 H 8.35 4.16 0.00 3.59 3.72 0.00 5.86 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 A 7.81 2.97 0.38 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 0.00 0.00 90 T 7.61 3.95 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 91 K 7.75 4.11 0.00 1.70 1.91 0.00 1.74 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.49 7.81 92 L 7.91 4.20 0.00 1.74 1.59 0.70 0.79 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 93 R 7.64 3.95 0.00 1.98 2.02 0.00 3.23 0.00 0.00 2.99 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 94 V 7.53 3.34 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 0.08 0.00 0.00 0.37 0.00 0.00 95 D 8.85 4.30 0.00 2.78 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 96 P 0.00 2.97 0.00 1.89 1.35 0.00 3.51 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.18 0.00 97 T 7.75 3.80 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 1.16 0.00 0.00 98 N 7.66 4.45 0.00 2.52 2.84 0.00 0.00 6.83 7.95 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 99 F 7.43 4.49 0.00 2.99 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 0.00 100 K 7.69 4.08 0.00 2.16 2.07 0.00 1.28 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.46 7.81 101 I 7.50 3.42 1.95 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 1.29 0.78 0.47 0.00 0.00 102 L 7.93 3.95 0.00 1.86 1.89 0.98 1.13 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 0.00 103 A 8.02 4.01 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.43 4.09 0.00 3.21 3.38 0.00 5.79 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 0.00 105 N 8.05 4.32 0.00 2.94 3.00 0.00 0.00 6.75 6.73 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 0.00 106 L 8.10 3.97 0.00 1.81 1.88 0.90 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 107 I 7.83 3.59 2.07 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.93 0.99 0.00 0.00 108 V 7.75 3.52 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 0.99 0.00 0.00 0.88 0.00 0.00 109 V 7.71 3.63 2.17 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 1.09 0.00 0.00 0.98 0.00 0.00 110 I 8.07 3.61 1.25 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.46 0.60 0.00 0.00 111 A 7.42 3.83 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 A 7.70 3.84 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Y 7.95 3.50 0.00 2.54 1.73 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 0.00 114 F 8.30 5.12 0.00 3.19 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 0.00 115 P 0.00 4.49 0.00 2.21 2.20 0.00 3.45 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.90 0.00 116 A 8.14 4.19 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 0.00 117 E 8.25 4.19 0.00 2.09 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 2.31 2.40 0.00 118 F 8.15 4.60 0.00 3.17 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 0.00 119 T 7.28 4.13 4.20 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 1.22 0.00 0.00 120 P 0.00 4.14 0.00 2.13 2.11 0.00 3.56 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 121 E 8.03 3.96 0.00 1.97 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 2.37 2.37 0.00 122 I 7.40 3.69 1.83 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 1.38 1.12 1.02 0.00 0.00 123 H 8.14 3.62 0.00 2.03 3.16 0.00 5.61 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 0.00 124 L 8.17 3.92 0.00 1.71 1.86 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 125 S 7.94 4.28 0.00 4.11 4.10 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 0.00 126 V 8.27 3.96 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 1.40 0.00 0.00 127 D 8.79 4.51 0.00 3.08 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 0.00 128 K 8.50 3.99 0.00 2.09 1.92 0.00 1.76 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.62 7.81 129 F 8.55 4.33 0.00 2.96 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 0.00 130 L 8.47 3.49 0.00 1.69 1.62 1.13 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 8.46 3.98 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.81 0.00 0.00 0.00 0.00 0.00 2.68 2.54 0.00 132 Q 8.17 3.95 0.00 2.37 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.78 0.00 0.00 0.00 0.00 0.00 2.51 2.59 0.00 133 L 7.90 3.64 0.00 1.30 1.42 0.46 0.96 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 0.00 134 A 8.06 3.73 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.06 3.93 0.00 1.86 1.96 1.04 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 136 A 7.36 2.74 0.60 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 0.00 0.00 137 L 7.66 3.76 0.00 1.34 0.72 0.66 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 138 A 7.64 4.38 1.38 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 0.00 0.00 139 E 7.61 4.12 0.00 2.23 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 2.66 2.58 0.00 140 K 8.24 4.52 0.00 1.76 1.79 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.73 7.81 141 Y 7.94 4.14 0.00 3.15 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 0.00 142 R 8.62 4.22 0.00 2.03 1.95 0.00 3.28 0.00 0.00 3.32 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00