NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 32 M 4.3704 8.3044 118.1757 54.3465 32.3225 176.1121 33 E 4.2380 8.7270 115.1573 53.2992 32.9097 173.3764 34 K 4.0534 8.3366 127.1223 55.7625 31.7753 176.9639 35 T 4.2792 7.9613 114.5614 60.9235 71.2832 174.8453 36 D 4.4702 8.7494 121.7816 57.8522 40.7907 179.1416 37 E 3.9567 8.1965 118.2620 59.5411 29.5528 178.5422 38 Y 4.0314 8.0589 119.3885 60.8255 38.9213 178.1315 39 L 3.7658 8.4406 120.1910 57.6677 41.7663 179.5708 40 L 4.0250 8.5707 118.9338 57.9182 41.4247 179.5453 41 A 3.9619 7.8031 119.1437 54.7912 18.5338 179.4217 42 R 3.5877 7.4062 117.5599 58.8709 30.0457 177.7210 43 F 4.7395 7.5616 115.0801 56.2520 39.7395 175.5831 44 K 4.3447 7.5317 121.5056 57.1407 33.8290 176.4788 45 G 3.9539 8.3006 114.7579 47.0641 0.0000 176.8522 46 D 4.3814 9.0884 125.8181 54.5161 41.5394 178.2866 47 G 4.0549 7.4528 107.5380 45.6333 0.0000 172.9720 48 V 4.2946 8.2066 121.4845 61.4122 34.1676 175.6874 49 K 5.2280 8.1139 124.6553 55.0085 35.3426 174.8227 50 Y 5.0560 9.5722 124.1230 56.0670 42.0957 174.5402 51 K 3.9568 8.8136 124.0141 56.2566 34.0584 175.6543 52 A 4.9226 8.1490 126.8913 51.6901 23.3487 174.6791 53 K 4.9183 9.0333 115.1140 54.7461 36.7299 176.2997 54 L 4.4476 8.5382 126.1737 54.2759 41.5427 176.4265 55 I 3.8394 8.5467 129.1493 62.3557 37.8758 176.8661 56 G 4.0322 6.8669 108.1370 46.2835 0.0000 171.0688 57 I 4.7752 7.6817 119.6241 59.2565 40.6131 175.1000 58 D 4.7413 8.4845 124.5066 52.5190 44.9288 174.0514 59 D 4.8520 8.7665 125.4730 54.3288 41.5725 175.7967 60 V 4.5887 8.6098 123.0814 60.3511 33.9628 174.0734 61 P 4.3994 0.0000 0.0000 65.0156 31.6210 175.4745 62 D 4.7316 7.5469 116.2061 52.1430 44.8525 175.0247 63 A 3.9562 8.1397 122.1204 54.1545 18.7157 177.2887 64 R 3.8916 7.8173 112.6837 54.0967 34.5238 172.6505 65 G 3.1558 6.4204 103.8486 44.3752 0.0000 174.5509 66 D 4.4547 8.8713 126.9362 57.2841 40.9423 178.6466 67 K 3.8585 7.9006 119.5337 59.7081 32.4027 178.1633 68 M 3.8736 7.8645 117.8895 58.8857 32.1214 178.2259 69 S 3.4362 8.0838 115.2854 61.1596 62.9262 176.4809 70 Q 3.8601 8.2102 122.6600 59.2381 28.8079 177.8006 71 D 4.3169 8.1333 120.1223 57.5665 40.8780 179.2115 72 S 3.9728 7.5465 114.7658 61.6959 62.8478 176.1569 73 M 4.1296 7.6973 120.8132 59.1701 31.9387 178.0728 74 M 4.0213 8.3674 118.9034 58.3053 32.1008 178.6948 75 K 3.9135 8.1526 119.6725 59.5603 32.3711 178.8452 76 L 3.9758 8.4258 119.6120 57.8213 41.5360 179.7316 77 K 4.2519 8.7664 118.9287 58.9980 31.9118 179.7952 78 G 3.5619 8.1257 106.3813 48.0066 0.0000 175.7546 79 M 4.0188 8.2386 121.3766 58.0734 31.9321 178.7225 80 A 3.9908 8.4579 121.0629 54.9770 18.4719 179.6296 81 A 3.8702 8.0738 119.1430 55.3246 18.2928 179.6180 82 A 4.0533 7.7771 118.1470 55.2692 18.5987 179.8439 83 G 3.6252 8.1771 104.1701 47.9745 0.0000 175.9475 84 R 4.1644 8.4290 123.2440 58.3464 29.8660 178.0303 85 S 4.4705 7.9784 111.3580 59.5051 63.0264 174.3714 86 Q 4.4728 7.7626 121.4370 55.8043 29.4207 176.0799 87 G 3.8548 8.1531 104.3598 46.0913 0.0000 173.7978 88 Q 4.4690 7.6885 118.9481 54.2010 30.1486 174.6954 89 H 4.9901 8.3594 119.6589 53.5043 31.3320 174.6076 90 K 4.2298 8.2805 120.5961 56.2337 33.0212 176.8472 91 Q 4.0655 8.5850 124.7244 56.2445 30.3855 175.1169 92 R 4.4755 8.6495 127.6058 56.3274 31.6353 175.1186 93 I 5.1281 9.0326 119.0666 59.4117 42.2633 173.3660 94 W 5.2085 9.4142 121.4937 54.9986 32.1435 175.2266 95 V 4.6719 9.5940 125.8545 61.6572 32.5622 173.8043 96 N 5.3884 9.2654 128.4093 52.1808 40.9242 173.4021 97 I 5.0123 8.9421 127.9466 59.7937 40.0259 175.0909 98 S 5.0759 8.7895 120.9640 57.4691 66.1365 174.9587 99 L 4.2107 8.7334 119.4027 57.9108 41.5738 178.9228 100 S 4.3302 8.1541 114.0244 59.2389 64.1634 173.4600 101 G 4.1229 8.5058 106.6336 44.1888 0.0000 173.3111 102 I 4.9717 8.8646 124.1474 59.2557 39.9996 174.5378 103 K 4.9985 9.0769 125.9079 54.6821 35.3549 175.0438 104 I 4.8239 8.8245 126.5318 60.0397 38.9878 174.7457 105 I 5.1221 8.7199 128.2524 59.1921 40.7055 174.6444 106 D 4.7323 8.9859 126.6843 54.1938 41.5468 176.6687 107 E 4.1251 8.9276 127.7874 59.5818 29.8325 178.2832 108 K 4.1401 8.4285 119.8968 59.5161 32.5722 177.7701 109 T 4.0935 8.9338 107.8456 62.1081 69.2903 175.9908 110 G 3.9523 8.3928 108.9605 45.1626 0.0000 173.2210 111 V 3.8081 7.6288 120.5333 62.5655 32.8086 175.5193 112 I 4.3409 8.3467 128.8198 60.7529 36.4730 175.3319 113 E 4.1453 9.0032 129.5956 59.1195 30.0167 176.6731 114 H 5.0526 8.0685 114.3595 54.2379 33.8072 172.1190 115 E 4.9318 8.4809 120.8837 55.1293 32.7156 173.9626 116 H 4.9414 9.2047 124.0939 53.2153 32.0109 171.7968 117 P 5.0662 0.0000 0.0000 61.6913 32.3864 177.5802 118 V 3.5716 8.6686 121.5711 66.3786 31.3155 177.4466 119 N 4.5933 8.0697 112.3806 53.3706 37.0497 175.1452 120 K 4.3970 8.4037 117.9704 56.2367 33.9419 175.5276 121 I 4.6768 7.4521 120.4780 60.0754 37.1156 175.3005 122 S 4.5832 8.6947 121.5726 59.8186 64.4362 174.6646 123 F 5.1149 8.2597 121.3307 56.5701 43.0516 173.0486 124 I 4.9080 7.8707 125.5785 59.5496 39.1612 174.5347 125 A 4.6740 9.5037 129.9407 50.3474 21.0425 175.6000 126 R 4.5716 8.6581 123.0435 55.4234 31.9408 175.5386 127 D 4.8790 8.6347 125.6193 52.6153 41.6924 177.0099 128 V 3.8507 8.5875 119.6689 63.3337 31.7874 177.4392 129 T 4.3332 8.0334 108.9654 61.9225 69.4408 174.3869 130 D 4.7339 7.9507 121.7241 52.8327 44.1872 174.7301 131 N 4.6969 8.8483 122.5390 54.7102 39.4409 175.5067 132 R 5.1456 9.1374 118.5018 53.9835 31.0039 175.0075 133 A 5.3742 8.0115 117.9458 51.2989 22.6457 176.0970 134 F 4.7894 8.9253 114.2494 56.8522 42.0187 172.5197 135 G 4.2240 9.1729 105.8312 45.2683 0.0000 171.3023 136 Y 5.6272 7.2115 116.2211 55.6144 41.7127 173.8075 137 V 5.1695 9.5597 121.8820 61.9044 33.9328 174.3422 138 C 5.2185 9.5734 120.9922 57.4046 33.5456 172.2992 139 G 4.3268 8.0838 105.5941 44.1885 0.0000 173.9500 140 G 3.8688 8.4082 108.9263 44.1396 0.0000 172.9029 141 E 4.1827 8.4115 119.1048 57.8068 29.6055 178.2418 142 G 4.0349 9.4775 111.6667 45.5032 0.0000 172.9252 143 Q 4.6536 7.7574 117.1780 55.2665 27.8476 174.7229 144 H 5.0022 8.0421 116.8429 56.1697 31.2020 176.2846 145 Q 5.0580 9.2687 120.7921 54.1307 33.2528 173.8802 146 F 5.2108 9.3946 125.7403 56.7673 41.6972 174.2632 147 F 4.2706 8.1959 125.6457 55.7073 40.5127 174.6528 148 A 4.3117 8.1754 126.7296 50.4613 20.7354 175.8131 149 I 4.7207 8.4519 123.1161 59.1423 41.3461 174.6010 150 K 4.9672 8.8721 128.4856 54.8338 33.5728 175.3927 151 T 4.3840 8.6761 119.3037 61.4220 69.6732 176.1413 152 G 3.5701 9.0960 112.3310 48.9228 0.0000 173.1658 153 Q 5.0987 7.6367 119.5692 54.4517 31.1112 174.9613 154 Q 4.2763 8.6017 118.7865 56.9815 29.6681 176.8131 155 A 4.1004 9.0201 123.8763 54.6513 18.6224 179.6011 156 E 3.7474 8.2158 117.8700 59.2882 29.6777 177.2546 157 P 4.4350 0.0000 0.0000 65.8042 30.9399 177.9833 158 L 3.2947 7.2814 119.5566 57.6925 42.0521 178.7164 159 V 3.1144 7.2367 118.1942 65.6477 31.3383 178.1965 160 V 3.4484 8.0569 118.3467 65.9726 31.4067 177.4476 161 D 4.5618 7.8081 118.3580 57.7792 40.7811 178.9965 162 L 3.4144 7.5363 119.0199 57.3631 41.4719 179.6637 163 K 3.6657 7.5804 119.3709 59.5481 32.2173 178.6051 164 D 4.3927 8.3976 119.5704 57.1709 40.7502 178.3370 165 L 3.3348 8.0103 121.0175 58.2912 42.0763 179.1400 166 F 4.4767 7.8753 117.4041 60.6299 38.6753 177.6119 167 Q 4.0443 8.2434 119.3266 59.0837 28.8993 178.3035 168 V 3.6414 8.4191 119.5670 66.2073 31.7953 177.6683 169 I 3.7151 7.8922 119.5793 64.8103 36.9872 177.5998 170 Y 4.0158 8.0239 119.4141 60.7902 38.6875 177.5527 171 N 4.1991 8.5162 117.5348 56.4805 38.7514 177.0914 172 V 3.5390 7.8233 119.2336 66.2228 31.5605 177.7083 173 K 4.0331 7.7789 119.9342 58.6582 31.9560 178.4064 174 K 3.6624 7.8031 119.5590 59.4860 32.0829 178.4831 175 K 3.8236 8.0050 118.5330 59.8246 31.5805 178.7627 176 E 3.9229 8.1870 118.3565 59.8196 29.4228 179.7529 177 E 3.9546 8.0135 118.0659 59.6295 29.4682 179.1246 178 D 4.4708 7.9260 116.7418 56.4018 40.8244 178.2425 179 K 4.1570 7.6018 119.8971 58.9875 32.5190 178.4996 180 K 4.1248 7.8653 117.7594 59.0660 31.9974 177.2043 181 K 4.1639 7.9348 122.5176 56.6178 31.9811 176.6295 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 32 M 8.30 4.37 0.00 2.08 1.93 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 2.34 2.41 0.00 33 E 8.73 4.24 0.00 1.92 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 2.16 2.38 0.00 34 K 8.34 4.05 0.00 1.83 1.95 0.00 2.05 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.10 1.28 7.81 35 T 7.96 4.28 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 1.36 0.00 0.00 36 D 8.75 4.47 0.00 2.75 2.83 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 37 E 8.20 3.96 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 2.42 2.45 0.00 38 Y 8.06 4.03 0.00 3.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.44 3.77 0.00 2.14 1.89 1.22 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.57 4.02 0.00 1.87 1.71 0.97 1.08 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 41 A 7.80 3.96 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 42 R 7.41 3.59 0.00 1.06 1.10 0.00 2.55 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 1.13 0.00 43 F 7.56 4.74 0.00 3.13 2.98 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 44 K 7.53 4.34 0.00 2.06 1.63 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.51 7.81 45 G 8.30 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 0.00 0.00 0.00 46 D 9.09 4.38 0.00 2.62 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 47 G 7.45 4.05 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 0.00 0.00 0.00 48 V 8.21 4.29 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 0.73 0.00 0.00 0.78 0.00 0.00 49 K 8.11 5.23 0.00 1.61 1.42 0.00 0.61 0.00 0.00 1.14 0.00 0.00 2.40 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.42 7.81 50 Y 9.57 5.06 0.00 2.97 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 51 K 8.81 3.96 0.00 1.45 1.53 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.72 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.17 0.79 7.81 52 A 8.15 4.92 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 53 K 9.03 4.92 0.00 1.59 1.63 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.30 1.31 7.81 54 L 8.54 4.45 0.00 1.66 1.60 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.55 3.84 1.93 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 1.14 0.65 0.89 0.00 0.00 56 G 6.87 4.03 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 0.00 57 I 7.68 4.78 1.57 0.00 0.00 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 0.13 0.33 0.22 0.00 0.00 58 D 8.48 4.74 0.00 2.77 2.49 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 59 D 8.77 4.85 0.00 2.60 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 60 V 8.61 4.59 2.16 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 0.84 0.00 0.00 0.90 0.00 0.00 61 P 0.00 4.40 0.00 2.19 2.14 0.00 3.72 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.94 0.00 62 D 7.55 4.73 0.00 2.48 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 0.00 0.00 0.00 0.00 63 A 8.14 3.96 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 64 R 7.82 3.89 0.00 1.52 1.32 0.00 3.21 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 65 G 6.42 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 0.00 0.00 0.00 66 D 8.87 4.45 0.00 2.77 2.79 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 67 K 7.90 3.86 0.00 1.74 1.74 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.41 7.81 68 M 7.86 3.87 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.48 0.00 69 S 8.08 3.44 0.00 4.12 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 70 Q 8.21 3.86 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 71 D 8.13 4.32 0.00 2.80 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.55 3.97 0.00 3.22 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 73 M 7.70 4.13 0.00 2.26 2.21 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.88 0.00 74 M 8.37 4.02 0.00 2.00 2.20 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.86 0.00 75 K 8.15 3.91 0.00 1.88 1.91 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.46 7.81 76 L 8.43 3.98 0.00 1.86 1.70 1.01 0.97 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 77 K 8.77 4.25 0.00 1.82 1.86 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.59 7.81 78 G 8.13 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 79 M 8.24 4.02 0.00 2.05 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 2.69 2.54 0.00 80 A 8.46 3.99 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 81 A 8.07 3.87 1.41 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 0.00 0.00 82 A 7.78 4.05 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 83 G 8.18 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 R 8.43 4.16 0.00 1.90 2.08 0.00 3.14 0.00 0.00 3.32 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.48 0.00 85 S 7.98 4.47 0.00 4.07 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 86 Q 7.76 4.47 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.31 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 87 G 8.15 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 88 Q 7.69 4.47 0.00 2.08 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 89 H 8.36 4.99 0.00 3.13 3.20 0.00 5.70 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 90 K 8.28 4.23 0.00 1.64 1.95 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.44 7.81 91 Q 8.58 4.07 0.00 2.15 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.11 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 92 R 8.65 4.48 0.00 1.94 1.73 0.00 3.10 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.55 0.00 93 I 9.03 5.13 2.04 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.81 1.04 0.00 0.00 94 W 9.41 5.21 0.00 3.30 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 95 V 9.59 4.67 2.34 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 1.18 0.00 0.00 1.12 0.00 0.00 96 N 9.27 5.39 0.00 2.86 2.72 0.00 0.00 6.64 8.52 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 97 I 8.94 5.01 2.09 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.86 0.85 0.00 0.00 98 S 8.79 5.08 0.00 4.16 4.01 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 99 L 8.73 4.21 0.00 1.67 1.80 1.01 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 100 S 8.15 4.33 0.00 3.91 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 0.00 101 G 8.51 4.12 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 0.00 0.00 0.00 102 I 8.86 4.97 1.69 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.54 0.90 0.00 0.00 103 K 9.08 5.00 0.00 1.69 1.71 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.37 7.81 104 I 8.82 4.82 2.03 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.17 1.05 0.00 0.00 105 I 8.72 5.12 2.12 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 1.18 0.77 1.11 0.00 0.00 106 D 8.99 4.73 0.00 2.87 2.61 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 0.00 107 E 8.93 4.13 0.00 1.82 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 0.00 2.35 2.20 0.00 108 K 8.43 4.14 0.00 1.83 1.88 0.00 1.86 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.39 7.81 109 T 8.93 4.09 4.27 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 1.24 0.00 0.00 110 G 8.39 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 0.00 0.00 0.00 111 V 7.63 3.81 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.96 0.00 0.00 112 I 8.35 4.34 1.88 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 1.25 0.68 0.93 0.00 0.00 113 E 9.00 4.15 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 114 H 8.07 5.05 0.00 3.07 2.94 0.00 5.83 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 0.00 115 E 8.48 4.93 0.00 1.89 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.31 0.00 116 H 9.20 4.94 0.00 3.00 3.14 0.00 5.69 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 P 0.00 5.07 0.00 2.17 1.97 0.00 3.93 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.04 0.00 118 V 8.67 3.57 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 0.91 0.00 0.00 1.05 0.00 0.00 119 N 8.07 4.59 0.00 2.82 2.86 0.00 0.00 5.80 7.13 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 0.00 120 K 8.40 4.40 0.00 1.89 1.85 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.33 1.52 7.81 121 I 7.45 4.68 1.86 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 1.35 0.69 1.18 0.00 0.00 122 S 8.69 4.58 0.00 3.99 4.07 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 0.00 0.00 0.00 123 F 8.26 5.11 0.00 3.29 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 0.00 124 I 7.87 4.91 1.74 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.97 0.87 0.00 0.00 125 A 9.50 4.67 1.72 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 0.00 126 R 8.66 4.57 0.00 1.82 1.87 0.00 3.35 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 127 D 8.63 4.88 0.00 2.91 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 0.00 128 V 8.59 3.85 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 0.81 0.00 0.00 0.95 0.00 0.00 129 T 8.03 4.33 4.26 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 1.23 0.00 0.00 130 D 7.95 4.73 0.00 2.64 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 N 8.85 4.70 0.00 2.85 3.06 0.00 0.00 6.92 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 R 9.14 5.15 0.00 1.80 2.08 0.00 3.17 0.00 0.00 3.29 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.40 0.00 133 A 8.01 5.37 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 0.00 134 F 8.93 4.79 0.00 3.31 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 0.00 135 G 9.17 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 0.00 0.00 0.00 0.00 136 Y 7.21 5.63 0.00 3.27 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 V 9.56 5.17 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 1.32 0.00 0.00 138 C 9.57 5.22 0.00 3.11 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 0.00 139 G 8.08 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 G 8.41 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 0.00 141 E 8.41 4.18 0.00 1.98 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 2.34 2.33 0.00 142 G 9.48 4.03 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 0.00 143 Q 7.76 4.65 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.90 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 144 H 8.04 5.00 0.00 3.43 3.33 0.00 5.75 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 0.00 145 Q 9.27 5.06 0.00 2.17 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 146 F 9.39 5.21 0.00 3.04 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 0.00 147 F 8.20 4.27 0.00 1.57 2.37 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 0.00 148 A 8.18 4.31 1.22 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 0.00 0.00 149 I 8.45 4.72 0.97 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 1.00 0.70 0.99 0.00 0.00 150 K 8.87 4.97 0.00 1.75 1.68 0.00 1.65 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.35 1.50 7.81 151 T 8.68 4.38 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 152 G 9.10 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 0.00 153 Q 7.64 5.10 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.91 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 154 Q 8.60 4.28 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.10 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 155 A 9.02 4.10 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 0.00 156 E 8.22 3.75 0.00 2.05 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 2.36 2.42 0.00 157 P 0.00 4.44 0.00 2.42 2.37 0.00 3.61 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.09 0.00 158 L 7.28 3.29 0.00 0.94 1.32 0.05 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 159 V 7.24 3.11 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 0.78 0.00 0.00 0.55 0.00 0.00 160 V 8.06 3.45 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 0.97 0.00 0.00 0.93 0.00 0.00 161 D 7.81 4.56 0.00 2.94 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 0.00 162 L 7.54 3.41 0.00 1.43 0.99 0.67 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 163 K 7.58 3.67 0.00 1.77 1.90 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.43 7.81 164 D 8.40 4.39 0.00 3.04 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 0.00 165 L 8.01 3.33 0.00 0.35 1.21 0.43 0.85 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 0.00 166 F 7.88 4.48 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 0.00 167 Q 8.24 4.04 0.00 2.36 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 168 V 8.42 3.64 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 1.08 0.00 0.00 1.13 0.00 0.00 169 I 7.89 3.72 1.95 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 1.72 1.29 0.93 0.00 0.00 170 Y 8.02 4.02 0.00 3.25 3.28 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 0.00 171 N 8.52 4.20 0.00 2.96 2.99 0.00 0.00 6.72 8.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 V 7.82 3.54 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 0.99 0.00 0.00 0.95 0.00 0.00 173 K 7.78 4.03 0.00 1.85 1.97 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.26 1.24 7.81 174 K 7.80 3.66 0.00 1.57 1.66 0.00 1.79 0.00 0.00 1.54 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.12 1.44 7.81 175 K 8.01 3.82 0.00 1.98 1.83 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.61 7.81 176 E 8.19 3.92 0.00 2.13 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 2.32 2.64 0.00 177 E 8.01 3.95 0.00 2.23 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 2.30 2.42 0.00 178 D 7.93 4.47 0.00 2.76 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 0.00 179 K 7.60 4.16 0.00 1.76 2.02 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.46 7.81 180 K 7.87 4.12 0.00 1.91 1.85 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.46 1.67 7.81 181 K 7.93 4.16 0.00 1.76 1.72 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.48 7.81