NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.9022 8.1100 120.3985 55.5175 34.2549 173.5641 2 I 4.5600 7.8342 123.1946 58.9225 41.3524 172.5794 3 T 5.7908 8.7738 125.6848 60.7128 72.4134 172.5504 4 L 5.1573 8.3010 124.7105 54.3663 44.8581 175.3635 5 T 5.3513 8.1099 109.5299 59.6352 71.1299 175.5735 6 K 3.7979 8.7076 122.2973 59.7529 31.9456 178.4654 7 K 3.9561 7.9683 119.1669 59.5996 32.0627 178.6589 8 Q 3.9021 7.7797 118.4057 58.9338 28.6306 178.1469 9 M 3.9077 8.0858 119.2698 58.7798 32.2191 178.0746 10 E 3.9830 8.5291 118.9794 59.4880 29.6201 179.2632 11 E 3.9705 8.3784 118.8544 59.6749 29.4401 179.3989 12 M 3.9813 8.2737 119.0535 58.2874 32.1176 178.7504 13 L 3.9691 8.4102 119.2971 57.8080 41.8170 179.4976 14 A 4.0285 8.4337 121.0824 55.4866 18.3635 179.2149 15 H 4.2338 8.4708 116.5983 59.0723 29.6793 177.3391 16 A 3.9798 8.0510 122.2166 55.4888 18.3864 179.6655 17 R 4.0249 7.9374 116.0748 59.0941 29.8491 178.9065 18 Q 3.9743 8.0141 118.7077 59.3999 29.3388 178.2909 19 A 4.1159 7.9942 121.1767 53.5040 18.6152 177.6238 20 L 4.4941 7.1737 116.2818 54.2969 42.1533 175.3664 21 P 4.6195 0.0000 0.0000 63.1942 31.2315 175.7434 22 N 4.9024 8.0672 117.8165 52.8681 40.1616 174.1721 23 E 4.4509 8.2334 117.9567 55.9548 31.4845 175.9711 24 A 4.6811 8.6218 123.6908 50.6999 20.1605 175.8163 25 C 5.3100 8.6302 116.3451 55.4911 33.7464 173.8285 26 G 3.7658 6.4648 103.9716 45.8447 0.0000 170.8595 27 L 5.2966 8.0030 118.3260 52.8927 46.2783 175.6355 28 L 5.1862 9.0122 120.0716 53.0760 44.7373 176.2829 29 G 4.5829 10.3644 110.4123 42.9753 0.0000 173.8107 30 G 3.8837 7.2517 109.0709 46.1433 0.0000 173.2088 31 R 4.9559 8.2746 123.2476 54.0196 32.7692 174.5505 32 R 5.0562 8.5910 120.8454 54.5028 31.9629 174.1985 33 D 4.7102 9.1897 124.3917 54.0429 44.8429 175.1949 34 G 3.7848 9.5843 113.3069 46.6210 0.0000 175.1386 35 D 4.6882 7.6732 116.8155 54.3165 42.1135 174.1707 36 D 4.4962 7.3994 117.9457 54.2325 42.2563 175.5213 37 R 4.6689 7.7507 118.4732 54.0708 34.3722 174.5079 38 W 4.9622 9.2353 123.6082 54.8279 31.8637 175.2590 39 V 3.9961 8.8548 127.1586 62.6080 30.4607 175.3609 40 E 4.4029 8.4648 127.1782 56.5366 30.9614 176.4884 41 R 4.6540 7.8352 120.6617 54.9145 33.9481 174.0112 42 V 4.1247 8.3454 126.6445 62.9827 32.6569 175.7143 43 Y 4.4805 9.2871 126.3771 55.7088 38.2197 171.6281 44 P 4.6429 0.0000 0.0000 62.4521 30.8266 175.9191 45 L 4.1976 8.1216 121.6963 54.2074 42.3396 176.4132 46 N 4.4741 8.0982 118.0903 52.5094 39.2585 173.1434 47 N 4.5115 8.5286 120.6589 53.3964 38.3554 174.9258 48 L 4.2112 8.9581 126.2170 55.9197 42.1765 177.0273 49 D 4.9096 7.6163 118.7132 53.1349 43.1515 175.8450 50 Q 4.5983 8.4223 117.0343 55.6576 30.5468 175.4986 51 S 4.5127 8.1552 115.1244 57.4683 63.9004 172.6584 52 P 4.5552 0.0000 0.0000 64.2990 31.9655 177.5452 53 E 4.5230 8.1649 116.3134 57.0567 31.7613 175.9795 54 H 4.9026 8.1577 114.4572 54.7772 29.9640 174.2054 55 F 4.9303 8.6360 116.6167 55.2311 40.2897 174.3069 56 S 4.4881 8.3494 115.0740 56.9630 64.3981 172.9608 57 M 4.4064 8.4708 120.4372 54.4756 32.4929 175.6211 58 D 4.3864 7.8262 116.0624 54.7584 38.7444 172.1691 59 P 4.6445 0.0000 0.0000 65.1809 31.8185 178.5054 60 R 3.8993 7.9132 116.1863 59.3090 30.0947 178.8586 61 E 4.0512 8.1872 117.9101 59.1881 29.3065 179.0612 62 Q 3.9689 8.2786 118.5292 59.1420 28.9690 178.9550 63 L 3.9899 7.5158 120.5934 58.2919 42.0444 179.2071 64 T 3.9023 7.7410 115.5215 66.4644 68.3897 176.6223 65 A 4.1074 8.5368 123.0783 55.3126 18.4954 179.9193 66 V 3.5036 8.0980 117.1039 65.8999 31.3154 178.1618 67 K 3.9867 7.7729 118.4110 59.2325 32.2869 178.1614 68 D 4.4734 8.1245 118.5162 57.7345 41.2139 178.0779 69 M 4.3895 8.3005 119.2232 58.6383 31.6864 178.9344 70 R 3.9628 7.8111 117.1482 58.5095 30.2782 178.5830 71 K 4.0406 7.8834 119.5617 58.8471 32.3321 177.8314 72 N 4.3845 7.9270 114.8391 52.6948 37.9188 175.8190 73 G 3.8682 8.1524 109.2109 45.2706 0.0000 173.1154 74 W 5.0820 8.0455 119.6017 55.1814 31.2826 175.0060 75 V 4.6696 8.6469 112.1120 59.7343 35.7263 174.7495 76 M 4.4108 8.5288 121.7518 55.4493 32.0132 175.5443 77 L 4.2341 8.8203 126.7005 55.0600 43.0633 177.5850 78 G 3.8568 6.8229 104.4500 45.9536 0.0000 169.8512 79 N 5.6973 7.9547 117.6779 51.3059 41.6868 173.3551 80 F 5.5559 8.6526 112.9439 55.8053 41.9250 173.2715 81 H 5.1842 9.5430 116.0101 54.5909 32.1561 172.2024 82 S 5.1768 9.0658 118.4948 56.9964 65.9309 173.1743 83 H 4.8639 8.6603 121.2607 54.8443 29.6686 174.6055 84 P 4.3082 0.0000 0.0000 65.4482 31.2304 178.0001 85 A 4.8024 8.1110 116.2896 51.4772 20.4335 175.2270 86 T 4.4796 7.6997 107.8744 59.9520 71.0978 172.4842 87 P 5.0420 0.0000 0.0000 61.8782 32.6379 174.6922 88 A 4.3878 8.1129 120.5442 52.2060 20.6634 174.8605 89 R 3.0971 8.4469 117.1099 55.0042 29.7350 174.3409 90 P 4.4047 0.0000 0.0000 62.4562 32.3377 176.8845 91 S 4.4349 8.3716 116.0307 56.8936 64.6812 174.8046 92 A 3.9113 8.2706 125.2568 55.4587 18.2990 179.4181 93 E 4.0551 8.0829 116.5276 59.2759 29.5587 178.7975 94 D 4.1739 7.9818 117.8253 57.2320 41.3516 178.1247 95 K 3.8958 8.5374 120.4379 59.2093 31.9505 178.8806 96 R 3.8693 7.3255 117.4779 58.2469 30.0037 178.0039 97 L 3.8818 7.2168 116.7699 54.5156 42.0138 177.0187 98 A 4.2153 7.2649 122.7216 51.6351 17.1602 176.7236 99 F 4.8984 8.3731 121.4277 58.3645 39.5601 175.8758 100 D 5.1486 7.8228 118.9668 50.8510 42.0620 174.5997 101 P 4.3801 0.0000 0.0000 65.0122 32.0466 178.4786 102 S 5.6738 7.2819 109.0085 58.5383 63.8450 174.2523 103 L 4.5383 9.5468 122.9597 54.3955 44.3888 177.6586 104 S 5.0857 8.5300 115.7158 57.9668 64.4992 173.3786 105 Y 4.8566 9.5816 124.2173 56.2534 40.0250 175.0018 106 L 5.1657 8.9336 126.2264 53.1816 43.0145 176.0332 107 I 5.4355 8.5831 124.6126 58.9116 39.9142 174.4151 108 I 4.7703 8.2784 127.7407 59.6829 39.8585 174.6450 109 S 4.6572 9.0287 122.4775 56.9184 63.5953 173.4193 110 L 4.4222 8.0792 128.6096 54.9779 42.3684 178.2046 111 A 4.2167 8.2721 122.1648 53.5528 18.8500 178.5871 112 E 4.7178 7.7125 114.4990 54.1553 32.7492 174.0188 113 P 4.5326 0.0000 0.0000 64.5028 31.9333 177.6748 114 Q 4.2154 7.9904 116.7090 58.3145 29.0525 176.7750 115 K 4.5258 7.3489 115.7094 54.3620 33.5881 171.8751 116 P 5.3097 0.0000 0.0000 60.9442 32.4231 176.9011 117 V 3.7621 8.4491 126.1318 62.9817 32.6489 174.2279 118 C 5.0742 8.6970 125.7496 58.0379 30.1668 173.4012 119 K 4.5316 8.3801 121.9561 54.6878 37.0734 175.3737 120 S 4.7408 7.9111 117.3861 56.8676 65.4627 173.3018 121 F 5.1906 9.1990 124.3764 55.6969 41.5542 174.8819 122 L 5.0417 9.3442 124.6484 52.8482 43.0762 176.2232 123 I 4.3816 8.4147 126.5425 60.4876 37.6034 175.7590 124 K 5.0917 8.7937 126.4626 53.0484 35.0135 177.8632 125 K 3.9192 8.6363 120.5482 60.0232 32.0060 177.9411 126 D 4.4547 8.1342 116.2049 55.1951 41.3065 176.8750 127 G 3.8458 6.2540 105.0861 45.1864 0.0000 170.5607 128 V 4.8580 7.8042 119.4583 60.0228 33.2703 174.8518 129 D 5.1847 9.2606 124.2266 52.2866 44.4771 174.0422 130 E 4.8317 8.7637 122.4647 55.0156 31.3011 174.5537 131 E 4.5664 9.2475 125.5354 54.2904 31.9950 174.2387 132 E 4.3500 8.5731 127.2392 55.3689 31.8231 174.4370 133 I 4.4922 8.1809 126.7450 60.0005 38.7021 175.1013 134 I 4.4469 8.6681 128.5847 59.6767 39.3092 174.9877 135 L 5.0762 8.4097 125.7746 53.5125 43.5918 175.7451 136 K 4.5724 8.8077 123.3705 54.6184 34.4793 176.8728 137 E 4.0240 9.0018 127.5159 58.1625 30.0709 175.8996 138 E 4.6761 7.5753 116.9536 53.7031 32.9293 174.5120 139 L 4.2378 8.0943 122.8507 54.3899 42.9108 177.3279 140 E 3.9682 9.2309 121.5995 56.4008 28.1427 176.0497 141 H 3.8959 8.1199 110.0126 57.4535 26.7542 176.1571 142 H 4.2668 8.0932 117.2977 55.3373 27.3123 174.4450 143 H 4.4051 9.0627 113.8652 57.5904 28.3872 172.0685 144 H 3.7614 8.0847 123.0797 56.4708 27.6181 172.8338 145 H 4.2903 8.1257 121.6051 55.6258 32.4465 173.3489 146 H 4.4911 8.5823 121.8207 55.6715 28.6671 174.8162 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 8.11 4.90 0.00 2.06 1.91 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.26 0.00 2 I 7.83 4.56 1.71 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.58 0.83 0.00 0.00 3 T 8.77 5.79 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 4 L 8.30 5.16 0.00 1.62 1.63 0.85 0.32 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 5 T 8.11 5.35 4.25 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 1.23 0.00 0.00 6 K 8.71 3.80 0.00 1.82 1.84 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.49 7.81 7 K 7.97 3.96 0.00 1.81 1.76 0.00 1.78 0.00 0.00 1.93 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.47 7.81 8 Q 7.78 3.90 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.59 0.00 0.00 0.00 0.00 0.00 2.32 2.67 0.00 9 M 8.09 3.91 0.00 2.21 2.01 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.55 0.00 10 E 8.53 3.98 0.00 2.07 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 2.47 2.49 0.00 11 E 8.38 3.97 0.00 2.17 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 2.32 2.46 0.00 12 M 8.27 3.98 0.00 1.78 2.05 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 1.63 0.00 13 L 8.41 3.97 0.00 1.84 1.72 0.97 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.43 4.03 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 15 H 8.47 4.23 0.00 3.47 3.67 0.00 5.79 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 16 A 8.05 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 17 R 7.94 4.02 0.00 1.93 2.00 0.00 3.16 0.00 0.00 3.11 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 18 Q 8.01 3.97 0.00 2.23 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.10 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 19 A 7.99 4.12 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 20 L 7.17 4.49 0.00 1.75 1.66 0.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.62 0.00 2.19 2.15 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 22 N 8.07 4.90 0.00 2.99 2.80 0.00 0.00 6.96 7.25 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 23 E 8.23 4.45 0.00 2.46 2.31 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 2.58 2.41 0.00 24 A 8.62 4.68 1.23 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 0.00 0.00 25 C 8.63 5.31 0.00 2.94 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 26 G 6.46 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 27 L 8.00 5.30 0.00 1.57 1.48 0.85 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 28 L 9.01 5.19 0.00 1.57 1.54 0.86 0.96 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 29 G 10.36 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 7.25 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 R 8.27 4.96 0.00 2.01 1.96 0.00 3.13 0.00 0.00 3.01 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.40 0.00 32 R 8.59 5.06 0.00 1.72 1.81 0.00 3.18 0.00 0.00 3.12 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.64 0.00 33 D 9.19 4.71 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 34 G 9.58 3.78 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 0.00 0.00 0.00 35 D 7.67 4.69 0.00 2.83 2.81 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 36 D 7.40 4.50 0.00 2.10 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 37 R 7.75 4.67 0.00 1.57 1.62 0.00 3.01 0.00 0.00 3.03 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.54 0.00 38 W 9.24 4.96 0.00 3.18 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 39 V 8.85 4.00 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 0.76 0.00 0.00 0.86 0.00 0.00 40 E 8.46 4.40 0.00 1.16 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.84 0.00 41 R 7.84 4.65 0.00 2.07 1.97 0.00 3.21 0.00 0.00 2.93 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.52 0.00 42 V 8.35 4.12 2.22 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 0.77 0.00 0.00 0.93 0.00 0.00 43 Y 9.29 4.48 0.00 3.11 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 44 P 0.00 4.64 0.00 1.91 1.81 0.00 3.66 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.14 0.00 45 L 8.12 4.20 0.00 1.84 1.75 0.94 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.10 4.47 0.00 2.91 2.88 0.00 0.00 7.01 7.82 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 47 N 8.53 4.51 0.00 2.91 2.78 0.00 0.00 7.34 8.03 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 48 L 8.96 4.21 0.00 1.92 1.71 0.98 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.62 4.91 0.00 2.61 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 50 Q 8.42 4.60 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.75 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 51 S 8.16 4.51 0.00 4.14 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 52 P 0.00 4.56 0.00 2.31 2.31 0.00 3.39 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 53 E 8.16 4.52 0.00 1.99 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 2.21 2.30 0.00 54 H 8.16 4.90 0.00 3.13 3.21 0.00 5.68 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 F 8.64 4.93 0.00 3.13 3.30 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 56 S 8.35 4.49 0.00 3.85 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 57 M 8.47 4.41 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.71 0.00 58 D 7.83 4.39 0.00 2.82 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 59 P 0.00 4.64 0.00 2.15 2.09 0.00 3.88 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.04 0.00 60 R 7.91 3.90 0.00 1.86 1.98 0.00 3.14 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 1.72 1.72 0.00 61 E 8.19 4.05 0.00 2.24 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 2.59 2.50 0.00 62 Q 8.28 3.97 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.68 0.00 63 L 7.52 3.99 0.00 1.87 1.84 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 64 T 7.74 3.90 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 65 A 8.54 4.11 1.31 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 0.00 0.00 66 V 8.10 3.50 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 0.94 0.00 0.00 0.99 0.00 0.00 67 K 7.77 3.99 0.00 2.06 2.03 0.00 1.87 0.00 0.00 1.63 0.00 0.00 3.13 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.45 7.81 68 D 8.12 4.47 0.00 2.92 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 69 M 8.30 4.39 0.00 2.32 2.26 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.63 0.00 70 R 7.81 3.96 0.00 2.03 1.98 0.00 3.23 0.00 0.00 3.30 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 71 K 7.88 4.04 0.00 1.72 1.90 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.53 7.81 72 N 7.93 4.38 0.00 1.79 2.37 0.00 0.00 5.81 7.16 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 73 G 8.15 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 74 W 8.05 5.08 0.00 3.59 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 75 V 8.65 4.67 2.13 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 0.87 0.00 0.00 1.05 0.00 0.00 76 M 8.53 4.41 0.00 2.01 1.92 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.52 0.00 77 L 8.82 4.23 0.00 1.62 1.63 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 78 G 6.82 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 0.00 0.00 0.00 79 N 7.95 5.70 0.00 2.77 2.70 0.00 0.00 6.38 5.99 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 80 F 8.65 5.56 0.00 3.15 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 81 H 9.54 5.18 0.00 3.39 2.96 0.00 5.41 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 S 9.07 5.18 0.00 3.80 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 83 H 8.66 4.86 0.00 3.31 3.20 0.00 5.65 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 P 0.00 4.31 0.00 2.06 2.24 0.00 3.70 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 2.09 2.23 0.00 85 A 8.11 4.80 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 T 7.70 4.48 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 1.19 0.00 0.00 87 P 0.00 5.04 0.00 2.22 2.15 0.00 3.36 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.92 0.00 88 A 8.11 4.39 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 R 8.45 3.10 0.00 1.85 1.73 0.00 2.81 0.00 0.00 3.32 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.49 0.00 90 P 0.00 4.40 0.00 2.02 1.88 0.00 3.15 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 0.00 91 S 8.37 4.43 0.00 3.90 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 92 A 8.27 3.91 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 93 E 8.08 4.06 0.00 2.17 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 2.44 2.44 0.00 94 D 7.98 4.17 0.00 2.78 2.92 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 95 K 8.54 3.90 0.00 1.84 1.68 0.00 1.56 0.00 0.00 1.52 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.25 1.49 7.81 96 R 7.33 3.87 0.00 1.84 1.87 0.00 3.29 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.77 0.00 97 L 7.22 3.88 0.00 1.44 1.22 0.61 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 98 A 7.26 4.22 1.03 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 0.00 0.00 99 F 8.37 4.90 0.00 3.11 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 0.00 100 D 7.82 5.15 0.00 2.88 2.82 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 0.00 101 P 0.00 4.38 0.00 2.10 2.17 0.00 3.78 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 102 S 7.28 5.67 0.00 3.74 3.78 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 0.00 103 L 9.55 4.54 0.00 1.98 1.67 0.97 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 104 S 8.53 5.09 0.00 3.75 3.79 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 0.00 0.00 0.00 105 Y 9.58 4.86 0.00 3.03 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 0.00 106 L 8.93 5.17 0.00 1.74 1.63 0.95 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 107 I 8.58 5.44 2.06 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 1.20 0.09 0.78 0.00 0.00 108 I 8.28 4.77 1.92 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 1.23 0.71 0.93 0.00 0.00 109 S 9.03 4.66 0.00 4.02 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 0.00 110 L 8.08 4.42 0.00 1.99 1.86 0.94 0.97 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 0.00 111 A 8.27 4.22 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 0.00 112 E 7.71 4.72 0.00 2.00 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 2.27 2.46 0.00 113 P 0.00 4.53 0.00 2.09 2.09 0.00 3.73 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 114 Q 7.99 4.22 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.22 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 115 K 7.35 4.53 0.00 1.80 1.69 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.52 7.81 116 P 0.00 5.31 0.00 2.05 2.09 0.00 3.11 0.00 0.00 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.02 0.00 117 V 8.45 3.76 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 1.04 0.00 0.00 0.95 0.00 0.00 118 C 8.70 5.07 0.00 2.81 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 K 8.38 4.53 0.00 0.86 0.90 0.00 1.45 0.00 0.00 1.51 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.28 1.46 7.81 120 S 7.91 4.74 0.00 3.68 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 0.00 121 F 9.20 5.19 0.00 3.06 2.92 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 0.00 122 L 9.34 5.04 0.00 1.60 1.65 0.97 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 123 I 8.41 4.38 1.63 0.00 0.00 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 1.16 0.35 0.73 0.00 0.00 124 K 8.79 5.09 0.00 1.90 1.70 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.48 7.81 125 K 8.64 3.92 0.00 1.71 1.83 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.41 7.81 126 D 8.13 4.45 0.00 2.68 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 0.00 127 G 6.25 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 V 7.80 4.86 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 0.64 0.00 0.00 1.00 0.00 0.00 129 D 9.26 5.18 0.00 2.77 2.53 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 0.00 130 E 8.76 4.83 0.00 1.91 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 131 E 9.25 4.57 0.00 1.98 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 2.10 2.15 0.00 132 E 8.57 4.35 0.00 2.06 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 2.28 2.33 0.00 133 I 8.18 4.49 1.79 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.59 0.83 0.00 0.00 134 I 8.67 4.45 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.69 0.92 0.00 0.00 135 L 8.41 5.08 0.00 1.50 1.56 0.90 0.77 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 0.00 136 K 8.81 4.57 0.00 1.79 1.60 0.00 1.54 0.00 0.00 1.56 0.00 0.00 2.76 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.57 1.31 7.81 137 E 9.00 4.02 0.00 1.95 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 2.27 2.28 0.00 138 E 7.58 4.68 0.00 1.84 1.67 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 2.11 2.25 0.00 139 L 8.09 4.24 0.00 1.59 1.55 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 140 E 9.23 3.97 0.00 1.96 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 2.07 2.18 0.00 141 H 8.12 3.90 0.00 3.31 3.38 0.00 6.06 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 H 8.09 4.27 0.00 3.33 3.46 0.00 5.90 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 0.00 143 H 9.06 4.41 0.00 3.23 3.50 0.00 5.68 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 0.00 144 H 8.08 3.76 0.00 3.48 3.51 0.00 5.96 0.00 0.00 0.00 0.00 6.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 H 8.13 4.29 0.00 3.12 3.16 0.00 5.77 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 0.00 146 H 8.58 4.49 0.00 3.21 3.19 0.00 5.81 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00