NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4376 8.3044 118.1950 55.1206 32.5431 174.4330 1 V 4.2149 7.9533 119.4367 60.7558 34.2635 173.6979 2 L 4.2616 8.3336 127.5436 54.1721 43.4592 176.8109 3 S 4.5974 8.5070 116.9715 57.5166 65.6161 175.1334 4 E 4.3227 8.7465 122.0661 59.2761 29.4447 178.7181 5 G 3.6857 8.1491 105.4631 47.8248 0.0000 175.2422 6 E 3.8813 8.0210 120.7131 59.0885 29.5221 179.5130 7 W 4.4326 7.9591 118.7810 59.9985 29.0535 178.6723 8 Q 4.1915 8.4449 118.2147 58.9545 28.1016 178.6319 9 L 4.1083 7.9805 119.8920 57.6291 41.6020 179.8317 10 V 3.7597 7.9415 118.4132 66.0040 31.5787 177.9491 11 L 4.3828 8.6872 118.3811 57.0844 41.0670 178.8315 12 H 4.2975 8.4932 119.3374 59.1582 29.8591 177.4810 13 V 3.4144 7.8963 120.5472 64.1340 31.4177 178.1999 14 W 3.9186 8.5518 129.1113 60.1153 30.2759 177.7513 15 A 3.9763 8.1279 120.1823 54.8089 17.9834 179.5577 16 K 3.9319 7.2975 116.9988 59.4665 32.1339 179.5347 17 V 2.8431 7.0699 118.4587 65.8027 31.0501 177.6064 18 E 3.8634 7.5499 115.7832 58.0665 29.2626 178.5561 19 A 4.2223 7.4806 120.8026 53.7509 19.7119 177.5007 20 D 4.6299 7.9885 116.8330 51.9005 42.1301 175.5468 21 V 3.4608 7.8854 122.7701 65.3548 32.0298 176.8674 22 A 4.0578 7.9533 120.3352 54.9154 18.3359 179.6840 23 G 3.5947 8.2364 105.5983 47.7873 0.0000 175.6762 24 H 4.1657 8.3402 119.1200 58.2655 28.6505 178.0612 25 G 3.6068 8.3487 107.9041 47.9402 0.0000 175.1154 26 Q 3.8071 8.0244 122.2072 58.9198 29.0715 177.8653 27 D 4.3575 8.0290 119.5733 57.7154 40.9164 179.4729 28 I 3.6456 7.7695 119.7101 64.5122 37.0833 178.6375 29 L 3.4246 7.6763 119.6974 57.4458 41.2808 179.7268 30 I 3.6826 7.6480 119.9410 64.1569 36.9777 178.2837 31 R 3.8054 7.8840 119.6057 59.3240 29.8092 178.3453 32 L 3.9286 7.8603 120.1366 58.2900 41.9007 179.0307 33 F 4.6435 8.0752 117.8893 60.3420 38.5725 178.0669 34 K 4.0307 8.3916 118.0301 59.4375 32.0155 179.3064 35 S 4.3172 8.1606 114.5303 60.4853 63.8279 174.7673 36 H 4.6689 8.2357 121.3046 52.4630 29.1838 172.2918 37 P 4.6065 0.0000 0.0000 64.1402 31.5225 177.6696 38 E 4.1120 8.2143 116.8331 59.4570 29.4863 179.0609 39 T 3.7959 8.2790 111.2711 64.5054 68.7011 176.1524 40 L 3.7257 7.8171 122.7810 57.9065 41.7834 178.5137 41 E 4.2019 7.9904 116.7091 58.3749 29.4314 178.6862 42 K 4.3689 8.1729 117.9643 57.0146 32.5056 176.6485 43 F 4.4802 7.9041 119.0902 55.8815 39.1065 176.4558 44 D 4.4291 8.5197 126.6608 56.6932 41.0519 178.0411 45 R 3.9044 7.6840 118.3573 57.9659 30.4902 176.6479 46 F 5.0608 7.8707 114.4984 56.8571 39.6983 176.8949 47 K 4.1428 8.0789 120.7830 58.9961 32.7918 177.7360 48 H 4.3538 8.2079 114.2779 57.1401 28.9950 175.4899 49 L 3.9611 7.1692 120.9147 55.3807 41.6336 176.9970 50 K 4.2178 9.6065 124.2287 57.8346 32.9704 177.1457 51 T 4.7294 7.2957 107.3985 58.9705 73.2411 174.2676 52 E 3.8974 8.5957 120.4295 59.1626 29.7117 178.3313 53 A 4.0017 7.9532 120.5808 55.1909 18.2396 179.3094 54 E 3.9518 7.8323 116.0693 59.7859 29.8547 179.1479 55 M 4.1708 8.1762 118.8998 58.3378 31.7917 178.9888 56 K 4.0278 8.3900 117.8102 58.5406 32.2952 178.3112 57 A 4.5219 7.4458 118.4414 51.2411 19.4416 176.9551 58 S 4.2371 7.3683 113.6167 57.5768 62.9842 174.5232 59 E 3.9788 8.9030 128.9620 59.1849 29.4483 178.1741 60 D 4.4536 8.1409 118.6366 57.5211 41.0818 178.2137 61 L 3.1860 8.0511 120.7537 57.9574 41.7484 179.0344 62 K 3.9165 7.7079 119.5788 59.3445 32.1635 179.0452 63 K 4.0201 8.1030 118.9064 59.7332 31.8970 178.8406 64 H 4.3797 8.5051 118.7441 59.1644 29.7895 177.5905 65 G 3.5295 8.1197 107.7181 47.5343 0.0000 175.9439 66 V 3.6676 7.5631 120.4910 65.9360 31.5153 178.2620 67 T 3.8627 7.9089 115.5073 66.7258 68.3458 176.2676 68 I 3.7000 7.8227 121.6923 64.8475 37.1650 178.5869 69 L 4.2243 8.1098 119.3485 57.9719 41.4528 179.7917 70 T 3.9373 8.3013 115.8374 66.6618 67.9181 176.4877 71 A 4.0212 8.0497 122.6906 55.1247 18.3035 179.4819 72 L 3.8298 8.2547 119.0812 57.9558 42.1252 179.4171 73 G 3.3673 8.4825 105.8733 47.5713 0.0000 175.5820 74 A 4.0933 7.8057 121.8546 54.3555 18.6486 179.5918 75 I 3.8679 7.1285 117.7423 64.4333 37.4058 178.3504 76 L 3.9767 7.8193 120.0740 57.7559 41.1502 179.7938 77 K 3.9325 7.7328 117.2478 58.9086 32.2266 179.2030 78 K 3.9025 7.9055 118.6310 56.7123 31.9082 177.1080 79 K 2.0000 8.1800 117.3678 56.5550 29.6007 176.4165 80 G 3.9914 8.1652 107.3616 45.7201 0.0000 174.6311 81 H 5.2110 7.7085 118.5566 54.5817 27.4895 174.7725 82 H 5.1428 7.0702 112.0311 54.4490 29.7569 176.6597 83 E 3.9404 8.4387 121.3320 60.1045 29.0393 179.1431 84 A 4.0387 7.9363 118.4545 55.3009 19.1366 179.0767 85 E 4.0857 8.1679 116.6472 59.3781 29.5119 179.1527 86 L 3.9166 8.1400 120.5610 57.7406 42.0824 178.6787 87 K 3.8861 7.8004 118.7147 59.3990 32.1360 177.3509 88 P 4.3797 0.0000 0.0000 65.4037 31.3479 178.0873 89 L 4.0998 7.4936 118.7873 57.8832 41.9768 178.6088 90 A 4.2024 8.4667 121.2867 55.1780 18.3610 179.4089 91 Q 3.8905 8.2572 118.4797 59.2746 29.0472 178.5596 92 S 4.1013 8.2694 115.3153 61.4887 63.2339 176.0618 93 H 4.1839 8.7078 119.3351 57.8887 28.4301 177.2157 94 A 3.0088 8.1938 122.6866 53.6075 18.4089 178.9777 95 T 3.8797 7.5087 112.6210 64.2915 69.7546 175.6915 96 K 4.1201 7.5480 119.7753 58.0429 33.1884 176.7226 97 H 4.4121 7.9913 114.5363 55.6141 29.6999 174.7795 98 K 3.2876 6.8604 115.2556 56.7243 28.7716 174.3819 99 I 4.4341 8.1833 119.4952 58.4421 39.3478 174.7376 100 P 4.5540 0.0000 0.0000 62.2136 32.2704 177.1828 101 I 3.6169 8.5674 121.1084 64.8132 36.8887 178.3166 102 K 3.6678 7.9701 119.6395 59.8206 31.8602 178.2137 103 Y 4.1250 8.0041 116.9090 60.8025 37.8052 178.0344 104 L 4.2131 7.9284 119.6202 57.7125 41.7459 179.2243 105 E 4.0245 8.0430 118.7869 59.3352 29.3927 179.2741 106 F 4.4902 7.8683 117.9077 60.7971 38.9130 177.5805 107 I 3.9363 8.1493 117.8223 63.5809 37.7435 178.1376 108 S 4.1795 8.0779 116.5585 61.5698 62.6628 175.9812 109 E 4.0046 8.4453 121.7369 59.4038 29.4167 178.7416 110 A 4.0360 8.0275 120.6916 55.0798 18.3656 179.6603 111 I 3.6772 8.1230 118.5146 64.7618 37.2847 178.5535 112 I 3.8106 7.8717 120.5441 64.7116 36.8876 177.9076 113 H 4.0717 8.4742 118.9380 59.3379 29.6640 177.5129 114 V 3.5413 7.8933 119.8809 65.9886 31.3928 177.9355 115 L 3.7831 7.8794 118.7822 57.8559 41.0756 178.9067 116 H 4.2970 7.8268 117.0973 59.6200 29.8953 177.2473 117 S 4.1793 7.9265 115.7642 61.2161 62.7334 176.2103 118 R 4.1565 7.9429 119.4064 57.0773 31.2024 176.2469 119 H 5.0290 8.1214 116.0713 53.8717 29.7283 173.2127 120 P 4.3058 0.0000 0.0000 65.9288 31.5121 179.1079 121 G 3.6528 8.1516 106.6060 47.5729 0.0000 173.7133 122 N 5.0514 8.2082 115.4843 52.8767 39.0808 174.7547 123 F 4.9829 7.8582 119.5020 56.6229 39.6890 174.8039 124 G 3.8701 7.9711 107.1790 43.7204 0.0000 172.9899 125 A 3.8961 8.5033 121.1133 55.6166 18.0750 179.6716 126 D 4.1848 7.9542 116.3085 57.3269 40.9575 178.7108 127 A 3.9230 7.7385 120.9108 55.0336 18.4225 179.3110 128 Q 3.0565 7.8866 118.6067 58.8716 28.9485 178.6220 129 G 3.5686 8.1561 106.7969 47.7339 0.0000 175.5587 130 A 3.8512 7.8225 123.1005 54.9703 18.3525 179.4244 131 M 4.0072 8.1787 116.9007 58.7052 32.2853 177.9522 132 N 4.3047 8.5859 117.7392 56.6312 39.1080 176.7631 133 K 3.8786 8.2753 120.9822 59.3303 32.1948 178.6932 134 A 3.8167 7.9671 121.2057 55.0044 18.2643 179.6250 135 L 4.1210 8.1766 117.5756 57.7566 41.6319 179.4619 136 E 3.9855 8.6456 119.2432 59.0862 29.2981 179.1302 137 L 3.9348 8.1516 120.5258 58.0975 42.1695 178.5703 138 F 4.2060 8.3847 120.5972 61.7234 39.2361 177.3848 139 R 3.4842 8.2541 117.5445 58.7407 29.7835 179.0162 140 K 3.8238 8.2370 119.7432 59.6504 32.2628 178.6779 141 D 4.3284 8.1401 119.1960 57.4392 40.6347 178.9147 142 I 3.4694 7.6196 120.2838 64.0460 36.9750 178.3591 143 A 3.6094 7.8703 121.5913 54.9132 18.2318 179.5681 144 A 3.9668 7.9507 119.3751 55.2153 18.3995 180.0723 145 K 4.0344 8.0697 117.1098 59.5644 32.1107 179.1225 146 Y 4.3893 8.2590 117.4071 61.1626 37.8032 178.9036 147 K 4.0015 8.2430 119.1991 59.7118 31.9931 179.2832 148 E 4.0376 7.9463 117.1938 59.2286 29.4546 178.8441 149 L 4.3023 7.9314 117.1923 55.4353 41.9863 177.8430 150 G 3.9982 8.0207 107.1558 45.1464 0.0000 172.6917 151 Y 4.7447 7.4796 120.1459 56.0199 40.6318 175.6235 152 Q 4.2098 7.1204 123.4702 58.3074 33.6232 173.7572 153 G 3.6601 7.9379 105.6273 46.7050 0.0000 172.2553 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 4.44 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 2.54 0.00 1 V 7.95 4.21 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 0.90 0.00 0.00 0.96 0.00 0.00 2 L 8.33 4.26 0.00 0.99 0.66 0.58 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.51 4.60 0.00 4.07 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.75 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 2.52 0.00 5 G 8.15 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.02 3.88 0.00 1.95 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 2.21 2.26 0.00 7 W 7.96 4.43 0.00 3.54 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.44 4.19 0.00 2.28 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.67 2.60 0.00 9 L 7.98 4.11 0.00 1.90 1.75 0.92 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 10 V 7.94 3.76 2.43 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 1.19 0.00 0.00 0.93 0.00 0.00 11 L 8.69 4.38 0.00 1.81 1.81 0.95 1.01 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 12 H 8.49 4.30 0.00 3.39 3.38 0.00 5.77 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 13 V 7.90 3.41 2.43 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 1.06 0.00 0.00 0.89 0.00 0.00 14 W 8.55 3.92 0.00 3.65 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 15 A 8.13 3.98 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 16 K 7.30 3.93 0.00 1.37 1.64 0.00 1.62 0.00 0.00 1.46 0.00 0.00 2.71 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.44 7.81 17 V 7.07 2.84 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 0.00 0.00 -0.11 0.00 0.00 0.46 0.00 0.00 18 E 7.55 3.86 0.00 1.97 1.90 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 2.16 2.07 0.00 19 A 7.48 4.22 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 20 D 7.99 4.63 0.00 2.68 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 7.89 3.46 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 1.05 0.00 0.00 0.82 0.00 0.00 22 A 7.95 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 8.24 3.59 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 0.00 0.00 0.00 24 H 8.34 4.17 0.00 3.10 3.24 0.00 5.83 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 8.35 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 26 Q 8.02 3.81 0.00 2.26 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.63 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 27 D 8.03 4.36 0.00 2.90 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 28 I 7.77 3.65 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.57 0.89 0.00 0.00 29 L 7.68 3.42 0.00 1.48 1.05 0.77 0.59 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 30 I 7.65 3.68 1.87 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 1.40 0.54 0.88 0.00 0.00 31 R 7.88 3.81 0.00 2.00 2.11 0.00 3.02 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 1.56 1.64 0.00 32 L 7.86 3.93 0.00 1.68 1.46 1.06 1.06 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 33 F 8.08 4.64 0.00 3.08 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 34 K 8.39 4.03 0.00 1.65 1.83 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.69 7.81 35 S 8.16 4.32 0.00 3.73 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 36 H 8.24 4.67 0.00 2.87 2.84 0.00 5.62 0.00 0.00 0.00 0.00 6.76 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 4.61 0.00 2.15 2.09 0.00 3.81 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 2.08 1.97 0.00 38 E 8.21 4.11 0.00 2.31 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 2.29 2.53 0.00 39 T 8.28 3.80 4.42 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 0.85 0.00 0.00 40 L 7.82 3.73 0.00 1.37 1.73 0.04 0.89 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 41 E 7.99 4.20 0.00 2.24 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 2.40 2.54 0.00 42 K 8.17 4.37 0.00 1.90 1.73 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.73 2.01 7.81 43 F 7.90 4.48 0.00 3.32 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 44 D 8.52 4.43 0.00 2.58 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 45 R 7.68 3.90 0.00 1.34 0.68 0.00 3.08 0.00 0.00 3.02 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.47 0.00 46 F 7.87 5.06 0.00 2.90 2.80 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 47 K 8.08 4.14 0.00 1.87 2.22 0.00 1.59 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.45 7.81 48 H 8.21 4.35 0.00 3.31 3.50 0.00 5.54 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 49 L 7.17 3.96 0.00 1.56 1.59 0.92 0.82 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 50 K 9.61 4.22 0.00 1.79 1.84 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.52 7.81 51 T 7.30 4.73 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 8.60 3.90 0.00 2.04 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 2.35 2.36 0.00 53 A 7.95 4.00 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 54 E 7.83 3.95 0.00 2.14 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 2.34 2.34 0.00 55 M 8.18 4.17 0.00 2.05 2.25 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 2.75 2.57 0.00 56 K 8.39 4.03 0.00 1.89 1.85 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.44 1.42 7.81 57 A 7.45 4.52 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 7.37 4.24 0.00 3.90 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 59 E 8.90 3.98 0.00 2.14 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 2.39 2.48 0.00 60 D 8.14 4.45 0.00 3.04 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 61 L 8.05 3.19 0.00 1.21 1.59 0.80 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.71 3.92 0.00 1.77 1.94 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.45 7.81 63 K 8.10 4.02 0.00 1.92 1.90 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.77 1.67 7.81 64 H 8.51 4.38 0.00 3.69 3.52 0.00 5.78 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 65 G 8.12 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 7.56 3.67 2.26 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 1.11 0.00 0.00 0.96 0.00 0.00 67 T 7.91 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 1.27 0.00 0.00 68 I 7.82 3.70 2.04 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.63 0.97 0.00 0.00 69 L 8.11 4.22 0.00 1.76 1.87 0.91 0.75 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 70 T 8.30 3.94 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 1.25 0.00 0.00 71 A 8.05 4.02 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 72 L 8.25 3.83 0.00 1.68 1.61 0.23 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.48 3.37 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 0.00 74 A 7.81 4.09 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 75 I 7.13 3.87 1.84 0.00 0.00 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 1.54 0.91 0.88 0.00 0.00 76 L 7.82 3.98 0.00 1.21 1.55 -0.20 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.73 3.93 0.00 1.73 1.81 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.47 1.51 7.81 78 K 7.91 3.90 0.00 1.86 1.78 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.58 1.83 7.81 79 K 8.18 2.00 0.00 1.32 0.74 0.00 1.47 0.00 0.00 1.43 0.00 0.00 2.75 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.30 0.77 7.81 80 G 8.17 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 81 H 7.71 5.21 0.00 3.19 3.24 0.00 5.77 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.07 5.14 0.00 3.31 3.47 0.00 5.68 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 83 E 8.44 3.94 0.00 2.10 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 2.43 2.50 0.00 84 A 7.94 4.04 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 85 E 8.17 4.09 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 2.41 2.44 0.00 86 L 8.14 3.92 0.00 1.99 1.68 0.95 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.80 3.89 0.00 2.01 1.89 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.50 7.81 88 P 0.00 4.38 0.00 2.30 2.34 0.00 3.72 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 2.11 2.05 0.00 89 L 7.49 4.10 0.00 1.91 1.93 0.98 1.09 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 90 A 8.47 4.20 1.49 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 91 Q 8.26 3.89 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 92 S 8.27 4.10 0.00 3.98 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 93 H 8.71 4.18 0.00 3.58 3.61 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 8.19 3.01 0.79 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 0.00 0.00 95 T 7.51 3.88 4.19 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 1.11 0.00 0.00 96 K 7.55 4.12 0.00 1.55 1.69 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.86 1.28 7.81 97 H 7.99 4.41 0.00 3.00 3.16 0.00 5.84 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 6.86 3.29 0.00 1.85 1.78 0.00 1.40 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.24 1.08 7.81 99 I 8.18 4.43 2.12 0.00 0.00 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 1.41 1.01 1.16 0.00 0.00 100 P 0.00 4.55 0.00 1.96 1.99 0.00 3.16 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 0.86 1.54 0.00 101 I 8.57 3.62 1.79 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.78 0.81 0.00 0.00 102 K 7.97 3.67 0.00 1.72 1.65 0.00 0.98 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.02 7.81 103 Y 8.00 4.13 0.00 3.26 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 0.00 104 L 7.93 4.21 0.00 1.84 1.78 0.72 1.16 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 0.00 105 E 8.04 4.02 0.00 2.08 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 0.00 2.33 2.43 0.00 106 F 7.87 4.49 0.00 3.16 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 0.00 107 I 8.15 3.94 2.02 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 1.09 0.00 0.00 108 S 8.08 4.18 0.00 4.24 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.45 4.00 0.00 2.18 2.33 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 2.39 2.42 0.00 110 A 8.03 4.04 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 0.00 111 I 8.12 3.68 2.12 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.74 1.04 0.00 0.00 112 I 7.87 3.81 2.12 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.98 1.14 0.00 0.00 113 H 8.47 4.07 0.00 3.38 3.52 0.00 5.78 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 0.00 114 V 7.89 3.54 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 1.00 0.00 0.00 1.00 0.00 0.00 115 L 7.88 3.78 0.00 1.12 0.29 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.83 4.30 0.00 3.42 3.56 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.93 4.18 0.00 3.79 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 0.00 118 R 7.94 4.16 0.00 1.56 1.58 0.00 3.11 0.00 0.00 2.93 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.59 0.00 119 H 8.12 5.03 0.00 3.21 3.21 0.00 5.63 0.00 0.00 0.00 0.00 6.74 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 2.20 2.26 0.00 3.74 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 2.06 1.93 0.00 121 G 8.15 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 0.00 122 N 8.21 5.05 0.00 2.80 2.94 0.00 0.00 6.68 7.02 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 0.00 123 F 7.86 4.98 0.00 2.88 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 7.97 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 0.00 125 A 8.50 3.90 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 7.95 4.18 0.00 2.65 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 0.00 127 A 7.74 3.92 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 0.00 128 Q 7.89 3.06 0.00 1.16 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.21 2.22 0.00 129 G 8.16 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.82 3.85 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 0.00 131 M 8.18 4.01 0.00 2.37 2.36 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 2.76 2.91 0.00 132 N 8.59 4.30 0.00 2.88 2.90 0.00 0.00 6.85 6.41 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 0.00 133 K 8.28 3.88 0.00 1.94 1.67 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.37 7.81 134 A 7.97 3.82 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 0.00 135 L 8.18 4.12 0.00 1.76 1.82 0.99 0.68 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 8.65 3.99 0.00 2.11 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 2.62 0.00 137 L 8.15 3.93 0.00 1.87 1.99 1.03 0.96 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 0.00 138 F 8.38 4.21 0.00 3.09 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 0.00 139 R 8.25 3.48 0.00 1.97 1.84 0.00 3.16 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.98 0.00 140 K 8.24 3.82 0.00 1.77 1.99 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.44 7.81 141 D 8.14 4.33 0.00 2.87 2.69 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 0.00 0.00 0.00 0.00 142 I 7.62 3.47 1.26 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 -0.36 0.15 0.00 0.00 143 A 7.87 3.61 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 0.00 144 A 7.95 3.97 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 0.00 145 K 8.07 4.03 0.00 2.06 1.93 0.00 1.57 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.54 7.81 146 Y 8.26 4.39 0.00 3.06 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 0.00 147 K 8.24 4.00 0.00 2.15 1.87 0.00 1.56 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.53 7.81 148 E 7.95 4.04 0.00 2.16 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 2.36 2.37 0.00 149 L 7.93 4.30 0.00 1.81 1.71 0.97 0.90 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 0.00 150 G 8.02 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 7.48 4.74 0.00 2.52 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 7.12 4.21 0.00 1.94 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.93 0.00 0.00 0.00 0.00 0.00 1.99 2.11 0.00 153 G 7.94 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