NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4669 8.3044 118.1937 55.2606 32.5749 174.4557 1 V 4.2782 7.9004 119.8493 61.1581 34.6560 172.6043 2 L 4.3846 8.2521 126.9079 53.9876 43.7463 176.7109 3 S 4.6250 8.6637 116.9505 57.4715 65.6226 175.1048 4 E 4.3203 8.7921 122.6036 59.4234 29.3329 179.0178 5 G 3.6555 8.1177 105.3822 47.9556 0.0000 175.3862 6 E 3.9526 8.0470 120.9246 58.8504 29.3790 179.4577 7 W 4.3241 8.1896 119.0551 59.8477 29.0886 178.5387 8 Q 4.1546 8.6207 118.4071 59.0625 27.8000 178.9112 9 L 4.1168 7.8981 119.6660 57.6013 41.6350 179.8188 10 V 3.7708 7.8084 118.2608 66.1939 31.6885 178.1790 11 L 4.3252 8.6172 118.7367 57.4296 40.9462 179.0122 12 H 4.2851 8.4644 119.1809 59.2672 29.9002 177.6499 13 V 3.3933 7.7520 120.6454 64.3325 31.3322 178.1657 14 W 3.9096 8.4433 128.8092 60.0189 30.2611 177.8082 15 A 3.9856 7.8677 120.1848 54.8960 18.0528 179.4509 16 K 3.9516 7.3388 116.9204 59.3746 32.1409 179.6288 17 V 2.8372 7.2146 118.4903 65.7106 31.0447 177.5105 18 E 3.9619 7.7253 115.8739 57.8121 29.3225 178.4923 19 A 4.1901 7.5447 120.9983 54.0786 20.0033 177.7049 20 D 4.6591 7.7726 116.3115 52.0246 42.8184 175.4201 21 V 3.4171 7.9575 123.0992 65.5174 32.0019 176.6183 22 A 4.0581 8.0448 120.0601 55.2165 18.2455 179.6676 23 G 3.9670 8.2265 105.3741 47.9170 0.0000 175.6954 24 H 4.1859 8.2746 119.0049 58.2219 28.6435 178.1864 25 G 3.5640 8.4277 108.1120 47.7537 0.0000 175.7702 26 Q 3.8959 8.0716 120.4983 58.7995 28.7580 178.4808 27 D 4.2952 7.9106 119.7461 57.5332 40.8193 179.1973 28 I 3.6314 7.7718 119.9977 64.3787 37.0469 178.5801 29 L 3.4247 7.7081 119.7328 57.6252 41.3616 179.6532 30 I 3.6426 7.7732 120.0285 64.2433 36.8950 178.5128 31 R 3.7953 8.0221 119.6941 59.0538 29.8329 178.2030 32 L 3.8449 7.7573 120.2039 58.4177 41.9703 179.1593 33 F 4.5421 7.8076 117.7134 60.3696 38.5195 177.7754 34 K 4.0679 7.8977 117.5508 59.1602 32.1028 179.1436 35 S 4.2645 8.1115 114.8785 60.2750 64.2832 174.5457 36 H 4.7188 8.2884 118.4181 51.7574 29.5171 171.6064 37 P 4.5593 0.0000 0.0000 64.9175 31.4209 177.5547 38 E 4.2814 8.2740 115.9170 59.6800 29.3467 179.2219 39 T 3.8441 8.1806 111.0215 64.5242 68.7664 176.2495 40 L 3.6751 8.0925 123.1053 57.7870 41.7503 178.6468 41 E 4.1641 7.9616 117.4602 58.7352 29.4284 178.6506 42 K 4.4904 8.2246 117.1470 56.9384 32.8754 177.6095 43 F 4.6443 8.3915 119.3113 55.6995 38.7695 175.7933 44 D 4.3911 8.5871 124.2765 57.1053 40.9735 178.5266 45 R 3.9380 7.9007 116.1773 57.5529 30.5311 176.7489 46 F 4.8648 7.7508 113.7189 56.2443 40.9183 176.2181 47 K 3.8454 8.4351 122.8778 59.4080 31.9867 177.3353 48 H 4.4135 8.1923 112.8252 57.3975 29.0264 175.7826 49 L 3.9865 7.4325 120.6610 55.3547 41.7417 176.9729 50 K 4.3041 9.3569 123.3870 57.3968 33.4192 177.0070 51 T 4.7400 7.4429 107.4530 58.9297 73.1955 174.2804 52 E 3.9465 8.6355 120.8724 59.1658 29.6677 178.5721 53 A 3.9785 7.9243 120.5499 55.2994 18.3110 179.3497 54 E 3.9863 7.8738 115.4529 59.5957 29.7248 179.2280 55 M 4.2193 7.9997 118.9426 58.4151 31.8355 178.9834 56 K 4.0032 8.2355 117.5923 59.0630 32.3073 178.5940 57 A 4.4561 7.7306 118.6290 52.1444 19.0083 177.7645 58 S 4.3164 7.5571 112.8474 57.5033 63.0030 174.0466 59 E 3.9953 8.7926 131.0326 59.4596 29.5700 178.2334 60 D 4.5423 8.1988 118.6515 57.2892 40.9942 178.3048 61 L 3.2192 8.2646 120.9996 57.5538 42.0009 178.9252 62 K 3.8859 7.9915 119.6662 59.4014 32.1676 178.9615 63 K 4.0108 8.1603 118.8134 59.3728 31.8913 179.0737 64 L 4.1601 8.1491 120.8030 58.0802 41.9409 179.3019 65 G 3.5340 8.1431 105.8256 47.6770 0.0000 175.8836 66 V 3.6088 7.8601 120.6798 66.1158 31.6434 178.2889 67 T 3.9183 8.0610 115.4942 66.4881 68.2513 176.1766 68 N 4.3353 8.4544 119.0710 56.9529 39.0413 177.0985 69 L 4.3243 8.2274 120.2789 57.9175 41.6617 179.7005 70 T 4.0299 8.2772 115.9803 66.4572 68.4023 176.6929 71 A 4.0125 8.0396 122.6963 55.0315 18.3209 179.4859 72 L 3.7306 8.0621 119.1170 57.9911 42.0544 179.3859 73 G 3.2271 8.4998 105.9112 47.6021 0.0000 175.4702 74 A 3.9585 7.7434 122.2044 54.8465 18.6454 179.5855 75 I 3.7612 7.4296 117.7333 64.5633 37.2256 178.6089 76 L 3.9678 7.8061 120.0565 57.7945 41.1865 179.7693 77 K 3.9481 7.8419 117.0364 58.5921 32.2675 178.7382 78 K 3.9670 7.8017 117.9288 55.9536 32.4656 176.6864 79 K 2.0000 8.2769 118.3030 56.3947 29.9240 175.3456 80 G 3.9627 7.9454 106.0671 45.8348 0.0000 174.1806 81 H 4.6552 7.6417 118.3139 54.7084 27.6746 175.4715 82 H 5.5945 7.5229 113.0424 54.7515 29.2655 175.9603 83 E 3.9889 8.2910 122.5888 60.3558 28.6850 178.5342 84 A 4.0378 7.9445 121.1391 54.9730 18.0132 179.3471 85 E 4.0307 8.1639 116.6054 59.4942 29.5657 179.3692 86 L 4.2826 8.2469 118.8656 57.1491 41.6214 179.3154 87 K 3.9675 7.7509 118.2029 59.1181 32.0829 177.4478 88 P 4.3144 0.0000 0.0000 65.6567 31.3304 178.2072 89 L 4.0080 7.5709 120.3755 58.0039 42.1153 178.8106 90 A 4.2649 8.5120 121.2175 55.1628 18.2559 179.3812 91 Q 3.9014 8.3063 118.3015 59.3329 29.1475 178.6478 92 S 4.0007 8.1472 115.2351 61.9700 63.0573 176.1638 93 H 4.2695 8.6323 119.5153 57.5494 28.1897 177.5850 94 A 2.9502 7.6900 122.0624 54.4935 18.8108 178.9929 95 T 3.9122 7.5537 112.3496 64.7979 69.0860 176.2574 96 K 4.0690 7.4623 120.2033 58.7956 32.8412 177.2603 97 H 4.2865 8.0256 114.5858 56.1496 29.5022 175.5789 98 K 3.2110 7.4789 117.1372 57.0943 28.7136 176.1114 99 I 4.3022 8.2544 119.0151 58.8038 38.0893 175.0547 100 P 4.5536 0.0000 0.0000 62.2367 32.1762 177.4051 101 I 3.5890 8.3355 120.6976 64.6385 36.9045 178.3609 102 K 3.7831 7.9526 119.7940 59.8718 31.9075 178.2115 103 Y 4.2685 8.0914 116.7836 60.7741 37.7790 178.0565 104 L 4.2593 7.8450 119.6465 57.4897 41.7488 179.0999 105 E 4.0259 8.1525 118.9620 59.2683 29.3700 179.1690 106 F 4.5228 7.9010 117.9018 60.8669 38.9501 177.6372 107 I 3.8875 8.1896 118.0304 63.9420 37.7514 178.1252 108 S 4.2083 8.1873 116.5250 61.4537 62.6084 176.1346 109 E 4.0354 8.5479 122.0228 59.2445 29.4019 178.7746 110 A 4.0323 8.0901 120.9323 55.0816 18.4064 179.6993 111 I 3.6938 8.0861 118.5112 64.6645 37.1958 178.7346 112 I 3.8838 7.9270 120.6543 64.5626 36.9436 177.9710 113 H 4.1500 8.4833 119.1469 59.3662 29.6988 177.5422 114 V 3.5195 7.9167 119.9881 65.9735 31.2729 178.0015 115 L 3.7730 7.8624 118.8073 57.8196 41.0266 178.9382 116 H 4.4565 8.0703 117.4787 59.3517 29.8656 177.3649 117 S 4.1572 7.7924 116.0675 61.6757 62.8676 176.4881 118 R 4.0513 8.0170 119.1875 57.6099 31.2682 176.4552 119 H 5.0236 8.2742 115.8118 53.5756 29.5230 172.8056 120 P 4.3063 0.0000 0.0000 66.0163 31.5018 178.4067 121 G 3.7169 8.2150 106.5669 47.7729 0.0000 173.6845 122 N 4.9259 8.1922 114.0832 52.8462 39.4412 174.7522 123 F 4.9750 7.9307 119.0397 56.4787 39.5973 174.3559 124 G 3.9251 7.6317 109.0074 43.8335 0.0000 171.7303 125 A 3.8903 8.4498 120.7776 55.5337 18.3498 179.7222 126 D 4.2041 7.9920 116.4476 57.4074 40.8955 178.7862 127 A 3.9331 7.7652 120.7652 55.1555 18.4162 179.3039 128 Q 2.9610 7.8180 118.4288 58.8007 28.9680 178.6633 129 G 3.5220 8.0806 106.6703 47.5770 0.0000 175.5789 130 A 3.8350 7.9411 123.1126 55.1029 18.3375 179.4211 131 M 3.9913 8.1766 116.8677 58.7891 32.2643 177.9194 132 N 4.3118 8.5858 117.7124 56.5379 39.1015 176.7590 133 K 3.8389 8.1919 120.9249 59.3763 32.2596 178.7056 134 A 3.8392 7.9554 121.2044 55.1238 18.2033 179.6544 135 L 4.1807 8.3134 117.7352 57.7917 41.6267 179.5365 136 E 3.9886 8.5706 119.1965 59.0495 29.2568 179.0873 137 L 3.9519 7.9960 120.6388 57.9354 42.1163 178.6274 138 F 4.1653 8.3258 120.6288 61.6669 39.2803 177.4310 139 R 3.3676 8.2602 117.7590 58.6287 29.7446 179.1056 140 K 3.8146 8.1267 119.7040 59.6775 32.2821 178.7585 141 D 4.3376 8.2244 119.3878 57.3029 40.6234 178.8543 142 I 3.4420 7.7042 120.5380 64.0825 36.9800 178.2976 143 A 3.6542 7.9114 121.6642 54.9626 18.1578 179.5378 144 A 3.9504 7.9255 119.2863 55.2033 18.3449 180.0854 145 K 3.9690 8.0941 117.0324 59.6793 32.0663 178.9539 146 Y 4.3852 8.4034 117.5257 61.2780 37.9096 178.8062 147 K 3.9165 8.2403 120.1592 59.7603 32.0639 178.6084 148 E 4.0300 7.9407 117.5891 59.2737 29.4809 178.7692 149 L 4.3046 8.0450 117.2358 55.4957 41.8588 177.9187 150 G 3.9064 7.9643 107.1672 45.6090 0.0000 172.8417 151 Y 4.4322 7.6028 117.5574 56.9298 40.8610 176.3249 152 Q 3.1744 7.9236 117.7537 56.8885 26.9976 174.3652 153 G 3.2134 6.9963 109.8627 45.0747 0.0000 170.1097 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 0 M 8.30 4.47 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 1 V 7.90 4.28 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 0.84 0.00 0.00 0.95 0.00 0.00 2 L 8.25 4.38 0.00 0.97 0.75 0.61 -0.35 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 3 S 8.66 4.62 0.00 4.04 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 4 E 8.79 4.32 0.00 2.20 2.06 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 2.43 2.65 0.00 5 G 8.12 3.66 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 0.00 0.00 0.00 6 E 8.05 3.95 0.00 1.90 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 2.22 2.26 0.00 7 W 8.19 4.32 0.00 3.61 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.62 4.15 0.00 2.34 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.80 0.00 9 L 7.90 4.12 0.00 1.85 1.75 0.89 1.19 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 10 V 7.81 3.77 2.47 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 1.20 0.00 0.00 0.95 0.00 0.00 11 L 8.62 4.33 0.00 1.83 1.81 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.46 4.29 0.00 3.45 3.56 0.00 5.78 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.75 3.39 2.44 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 1.08 0.00 0.00 0.85 0.00 0.00 14 W 8.44 3.91 0.00 3.69 3.18 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 15 A 7.87 3.99 1.42 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 16 K 7.34 3.95 0.00 1.35 1.63 0.00 1.63 0.00 0.00 1.48 0.00 0.00 2.72 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.43 7.81 17 V 7.21 2.84 1.01 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 -0.09 0.00 0.00 0.40 0.00 0.00 18 E 7.73 3.96 0.00 2.01 1.92 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 2.21 2.29 0.00 19 A 7.54 4.19 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 20 D 7.77 4.66 0.00 2.72 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.96 3.42 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 1.04 0.00 0.00 0.84 0.00 0.00 22 A 8.04 4.06 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 23 G 8.23 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 24 H 8.27 4.19 0.00 3.21 3.21 0.00 5.82 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 25 G 8.43 3.56 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 0.00 0.00 0.00 26 Q 8.07 3.90 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.71 0.00 0.00 0.00 0.00 0.00 2.32 2.52 0.00 27 D 7.91 4.30 0.00 2.74 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 28 I 7.77 3.63 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 1.50 0.62 0.88 0.00 0.00 29 L 7.71 3.42 0.00 1.41 1.05 0.73 0.35 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 30 I 7.77 3.64 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.65 0.88 0.00 0.00 31 R 8.02 3.80 0.00 1.87 2.13 0.00 3.03 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 32 L 7.76 3.84 0.00 1.68 1.33 1.02 0.85 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 33 F 7.81 4.54 0.00 3.01 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.90 4.07 0.00 1.75 1.82 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.67 7.81 35 S 8.11 4.26 0.00 3.71 3.58 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 36 H 8.29 4.72 0.00 2.90 2.64 0.00 5.65 0.00 0.00 0.00 0.00 6.88 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 4.56 0.00 2.14 2.13 0.00 3.82 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 38 E 8.27 4.28 0.00 2.33 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 2.26 2.54 0.00 39 T 8.18 3.84 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 0.81 0.00 0.00 40 L 8.09 3.68 0.00 1.29 1.70 -0.18 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.96 4.16 0.00 2.24 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 0.00 2.39 2.41 0.00 42 K 8.22 4.49 0.00 1.97 1.77 0.00 1.92 0.00 0.00 1.78 0.00 0.00 3.15 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.80 1.97 7.81 43 F 8.39 4.64 0.00 3.32 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.59 4.39 0.00 2.67 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 45 R 7.90 3.94 0.00 1.20 1.04 0.00 3.12 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.56 0.00 46 F 7.75 4.86 0.00 2.95 2.87 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 47 K 8.44 3.85 0.00 1.90 1.91 0.00 1.73 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.47 7.81 48 H 8.19 4.41 0.00 3.31 3.40 0.00 5.60 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.43 3.99 0.00 1.53 1.60 0.95 0.70 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 50 K 9.36 4.30 0.00 1.77 1.84 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.48 7.81 51 T 7.44 4.74 4.23 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 1.20 0.00 0.00 52 E 8.64 3.95 0.00 2.05 1.98 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 2.36 2.36 0.00 53 A 7.92 3.98 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 7.87 3.99 0.00 2.10 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 0.00 2.35 2.34 0.00 55 M 8.00 4.22 0.00 2.10 2.27 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 2.84 2.59 0.00 56 K 8.24 4.00 0.00 1.84 1.86 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.45 1.63 7.81 57 A 7.73 4.46 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 58 S 7.56 4.32 0.00 4.07 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 59 E 8.79 4.00 0.00 2.15 1.98 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 2.41 2.50 0.00 60 D 8.20 4.54 0.00 3.15 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.26 3.22 0.00 1.46 1.67 0.14 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.99 3.89 0.00 1.88 1.99 0.00 1.88 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.46 7.81 63 K 8.16 4.01 0.00 2.06 1.90 0.00 1.78 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.84 1.66 7.81 64 L 8.15 4.16 0.00 1.92 1.71 1.13 0.99 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 65 G 8.14 3.53 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 66 V 7.86 3.61 2.25 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 1.04 0.00 0.00 0.96 0.00 0.00 67 T 8.06 3.92 4.46 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 1.28 0.00 0.00 68 N 8.45 4.34 0.00 2.93 3.03 0.00 0.00 7.25 6.97 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 69 L 8.23 4.32 0.00 1.81 1.91 0.89 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.28 4.03 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 71 A 8.04 4.01 1.42 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 72 L 8.06 3.73 0.00 1.63 1.76 0.26 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.50 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.74 3.96 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 7.43 3.76 1.82 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.60 0.88 0.00 0.00 76 L 7.81 3.97 0.00 1.35 1.56 -0.17 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.84 3.95 0.00 1.77 1.80 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.45 1.53 7.81 78 K 7.80 3.97 0.00 1.83 1.81 0.00 1.73 0.00 0.00 1.59 0.00 0.00 3.01 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.66 1.85 7.81 79 K 8.28 2.00 0.00 1.20 0.74 0.00 1.47 0.00 0.00 1.42 0.00 0.00 2.71 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.37 0.90 7.81 80 G 7.95 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 0.00 0.00 0.00 81 H 7.64 4.66 0.00 3.14 3.32 0.00 5.78 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 82 H 7.52 5.59 0.00 3.34 3.46 0.00 5.66 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 83 E 8.29 3.99 0.00 2.20 2.29 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 2.38 2.35 0.00 84 A 7.94 4.04 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.16 4.03 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 2.40 2.47 0.00 86 L 8.25 4.28 0.00 1.91 1.73 1.00 0.72 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 87 K 7.75 3.97 0.00 2.01 1.88 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.71 7.81 88 P 0.00 4.31 0.00 2.30 2.34 0.00 3.97 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.05 0.00 89 L 7.57 4.01 0.00 2.03 1.92 0.89 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.51 4.26 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 0.00 0.00 0.00 0.00 0.00 91 Q 8.31 3.90 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 92 S 8.15 4.00 0.00 4.04 4.13 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 93 H 8.63 4.27 0.00 3.61 3.64 0.00 5.80 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 94 A 7.69 2.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.55 3.91 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 1.10 0.00 0.00 96 K 7.46 4.07 0.00 1.53 1.67 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.18 1.33 7.81 97 H 8.03 4.29 0.00 3.01 3.14 0.00 5.86 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.48 3.21 0.00 1.75 1.71 0.00 1.41 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.20 1.12 7.81 99 I 8.25 4.30 2.13 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 1.53 0.93 1.18 0.00 0.00 100 P 0.00 4.55 0.00 2.01 2.01 0.00 3.25 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.13 0.00 101 I 8.34 3.59 1.77 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.88 0.78 0.00 0.00 102 K 7.95 3.78 0.00 1.71 1.68 0.00 1.42 0.00 0.00 1.53 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 0.71 7.81 103 Y 8.09 4.27 0.00 3.27 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 0.00 104 L 7.84 4.26 0.00 1.82 1.79 0.67 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.15 4.03 0.00 1.97 1.98 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 2.27 2.45 0.00 106 F 7.90 4.52 0.00 3.23 2.85 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 0.00 107 I 8.19 3.89 2.02 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 1.09 0.00 0.00 108 S 8.19 4.21 0.00 4.23 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 0.00 109 E 8.55 4.04 0.00 2.17 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 0.00 2.38 2.41 0.00 110 A 8.09 4.03 1.42 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 0.00 111 I 8.09 3.69 2.12 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.89 1.06 0.00 0.00 112 I 7.93 3.88 2.15 0.00 0.00 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 1.74 1.00 1.14 0.00 0.00 113 H 8.48 4.15 0.00 3.35 3.50 0.00 5.78 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 0.00 114 V 7.92 3.52 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 0.94 0.00 0.00 0.94 0.00 0.00 115 L 7.86 3.77 0.00 0.46 0.37 0.68 0.65 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 0.00 116 H 8.07 4.46 0.00 3.48 3.64 0.00 5.95 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.79 4.16 0.00 3.92 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 R 8.02 4.05 0.00 1.48 1.62 0.00 3.09 0.00 0.00 2.95 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 119 H 8.27 5.02 0.00 3.19 3.20 0.00 5.64 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.31 0.00 2.17 2.16 0.00 3.82 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 1.99 1.95 0.00 121 G 8.22 3.72 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 0.00 0.00 0.00 122 N 8.19 4.93 0.00 2.77 2.92 0.00 0.00 6.57 7.45 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 0.00 123 F 7.93 4.98 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 0.00 124 G 7.63 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 0.00 125 A 8.45 3.89 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 0.00 126 D 7.99 4.20 0.00 2.65 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 A 7.77 3.93 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 Q 7.82 2.96 0.00 1.32 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.21 2.16 0.00 129 G 8.08 3.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 7.94 3.83 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 0.00 131 M 8.18 3.99 0.00 2.51 2.42 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.94 0.00 132 N 8.59 4.31 0.00 2.90 2.93 0.00 0.00 6.86 6.98 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 0.00 133 K 8.19 3.84 0.00 1.90 1.75 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.27 1.36 7.81 134 A 7.96 3.84 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 0.00 135 L 8.31 4.18 0.00 1.76 1.84 1.01 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.57 3.99 0.00 2.13 1.99 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 2.34 2.57 0.00 137 L 8.00 3.95 0.00 1.89 1.97 0.98 1.15 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 0.00 138 F 8.33 4.17 0.00 3.14 3.26 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 0.00 139 R 8.26 3.37 0.00 1.80 1.80 0.00 3.14 0.00 0.00 3.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.97 0.00 140 K 8.13 3.81 0.00 1.89 1.91 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.43 7.81 141 D 8.22 4.34 0.00 2.75 2.70 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 0.00 0.00 0.00 142 I 7.70 3.44 1.20 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 0.85 -0.24 0.08 0.00 0.00 143 A 7.91 3.65 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 0.00 144 A 7.93 3.95 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 0.00 145 K 8.09 3.97 0.00 1.97 1.96 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.64 7.81 146 Y 8.40 4.39 0.00 3.04 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 K 8.24 3.92 0.00 1.95 2.01 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.49 7.81 148 E 7.94 4.03 0.00 2.24 2.02 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 2.36 2.49 0.00 149 L 8.05 4.30 0.00 1.81 1.72 0.99 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.96 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 0.00 151 Y 7.60 4.43 0.00 2.60 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 0.00 152 Q 7.92 3.17 0.00 2.19 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.59 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 153 G 7.00 3.21 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 0.00