NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 Q 4.4112 8.3444 121.6569 55.4827 31.2123 174.7475 10 S 4.3936 7.8449 109.4174 59.0261 64.4116 172.4521 11 Q 4.5625 8.3604 118.7869 54.1734 30.5767 174.4634 12 F 4.6644 8.5298 122.6302 55.7450 42.6992 175.2867 13 F 4.6892 9.1020 121.8553 55.9291 41.5660 176.1771 14 I 3.6789 8.7629 118.0835 64.8929 37.1691 177.4533 15 E 4.0167 8.2045 117.9510 59.7698 29.6901 178.6276 16 H 4.8194 8.2216 115.7185 59.0473 28.9083 177.6593 17 I 4.0136 8.2198 121.7512 64.6290 36.7332 178.4895 18 L 4.0248 8.0738 118.6679 57.7138 41.4184 179.0771 19 Q 4.1556 8.2455 117.1857 57.3469 28.5463 177.6794 20 I 3.6584 7.4528 119.1800 62.2832 38.5612 176.0742 21 L 4.3875 7.7681 119.3872 53.1276 42.3883 175.3542 22 P 4.3748 0.0000 0.0000 64.7539 32.0120 176.5929 23 H 4.1589 8.1428 116.0746 56.3504 29.1554 174.2753 24 R 4.7358 8.0800 120.1599 54.3066 34.3564 173.6078 25 Y 4.3122 8.6021 119.9617 57.6837 39.1200 174.0989 26 P 4.0238 0.0000 0.0000 63.1471 31.8678 175.6131 27 M 4.5092 8.6525 115.8772 55.8245 33.3971 175.8021 28 L 4.4104 7.8719 121.6264 54.1034 41.5898 176.2410 29 L 4.7969 8.9670 130.0185 54.0960 42.2961 177.4913 30 V 4.4001 7.5890 117.7731 61.6025 33.8045 173.9802 31 D 4.6065 8.6342 127.8033 56.3400 41.8987 177.0792 32 R 4.3835 7.0826 115.5347 55.2104 33.7260 173.4998 33 I 4.6415 8.5774 127.0450 60.0888 38.5891 176.1640 34 T 4.3919 8.5272 117.3085 62.0878 70.2775 174.6261 35 E 4.7248 7.8625 122.6247 55.1459 33.3200 173.6030 36 L 5.0130 8.5442 128.5415 54.2135 45.3173 174.4957 37 Q 4.6743 9.1529 125.9616 53.7120 31.0870 175.1120 38 A 4.0275 8.8046 126.6288 54.1146 18.6144 177.1045 39 N 4.5658 9.2712 118.5819 53.9600 36.9734 173.9572 40 Q 4.7800 8.0263 115.0806 56.0849 31.4760 175.4160 41 K 5.0883 7.5911 115.2630 56.2162 36.6028 173.5340 42 I 5.1438 9.1723 120.7599 59.4436 42.0230 173.7264 43 V 4.9803 9.0604 128.3865 61.2214 34.4313 174.2610 44 A 5.0370 8.8672 128.4176 51.7347 23.4873 173.5548 45 Y 5.0372 8.4054 115.0841 56.3573 42.0833 173.6592 46 K 4.9597 9.0286 121.2960 54.6913 35.5062 175.0339 47 N 4.9172 9.6382 125.5434 53.2010 39.8123 174.5139 48 I 4.5768 8.4798 123.5220 59.9498 38.6156 174.7049 49 T 4.9294 9.3019 121.4448 59.9660 70.5019 174.6723 50 F 3.9496 8.9812 127.8696 60.8979 39.8546 175.5323 51 N 4.7574 7.5273 116.9488 53.8324 38.5741 174.3580 52 E 4.8154 7.9280 116.1725 53.8718 33.1501 176.7936 53 D 4.3144 8.9341 122.3138 57.8127 41.2915 178.8990 54 V 3.5687 7.6810 112.0986 64.6059 31.1621 178.1023 55 F 4.4818 7.4127 115.2881 59.6451 38.7596 176.9623 56 N 4.6807 8.4803 116.6324 55.1528 38.3073 175.8065 57 G 4.1211 7.6147 105.4874 45.2715 0.0000 173.3068 58 H 3.7067 7.5021 119.1401 54.0602 30.3372 171.6563 59 F 5.2043 9.2974 121.7063 54.0459 43.2666 173.0223 60 P 4.4688 0.0000 0.0000 64.6786 31.3794 176.4067 61 N 4.3328 9.3242 117.7173 53.8985 36.7797 175.3827 62 K 4.6755 8.4049 120.1303 54.4032 33.3736 171.3659 63 P 5.1296 0.0000 0.0000 62.7568 32.2244 176.9564 64 I 4.9635 9.1113 125.6691 59.2222 40.8032 175.0228 65 F 4.1886 9.6116 131.1946 57.6530 39.9989 173.3327 66 P 3.8653 0.0000 0.0000 62.6742 31.9416 177.3336 67 G 3.0614 8.4956 109.6413 47.9685 0.0000 176.1971 68 V 3.7799 7.4871 114.0103 64.0408 31.4771 178.3905 69 L 4.0061 7.5292 118.5569 57.1832 41.3377 179.4759 70 I 4.1206 7.5821 119.8740 64.5515 37.0265 178.5485 71 V 3.6525 7.9498 118.6339 65.8243 31.3280 177.5707 72 E 3.8340 8.1816 119.4886 59.0618 29.4853 179.0069 73 G 3.7533 8.3312 107.4911 47.3824 0.0000 175.6649 74 M 3.7286 7.8970 120.7150 57.8226 31.8791 178.6401 75 A 3.5300 7.7921 121.1624 55.1235 18.4284 179.6526 76 Q 3.9063 8.1081 116.8940 59.2062 28.7167 179.3691 77 S 4.1494 7.8515 116.2394 61.4291 62.8247 176.9103 78 G 3.8470 8.4326 108.7816 47.8822 0.0000 175.8670 79 G 3.6869 8.6441 108.8082 47.5615 0.0000 175.5642 80 F 3.9988 8.4673 123.0854 60.5970 39.2672 177.0691 81 L 3.9871 8.0451 120.0010 58.0356 42.1295 178.4442 82 A 2.5800 7.9167 120.9828 54.6427 18.1084 179.1187 83 F 3.8349 7.9809 119.0176 61.7939 39.4354 177.5916 84 T 4.0019 7.8981 108.9924 64.7315 68.1783 176.5802 85 S 4.0873 7.6953 117.7291 61.3138 62.8766 176.1368 86 L 3.7287 7.1228 120.4583 56.2708 41.4330 177.7635 87 W 4.7225 7.1805 113.7667 54.9101 31.2421 176.8689 88 G 3.8582 7.9127 108.3996 44.6320 0.0000 173.8491 89 F 4.4078 8.7980 120.9551 57.8011 37.9852 174.4356 90 D 4.5762 7.9872 125.7516 50.1223 41.7396 173.7069 91 P 4.1678 0.0000 0.0000 64.2904 31.2300 177.4767 92 E 3.8185 7.8443 116.5256 59.4447 29.9831 178.5726 93 I 3.6900 7.8226 118.9821 63.8253 37.1022 178.1100 94 A 3.3604 7.9052 121.9969 54.8899 17.8749 179.5588 95 K 4.0127 7.5776 115.2278 58.3726 32.2584 177.6924 96 T 4.4738 7.6029 108.7222 61.0967 69.9337 173.8824 97 K 5.2121 7.6825 120.5148 54.9887 35.8035 175.3314 98 I 4.5187 8.3796 113.8104 59.6307 41.4019 174.3341 99 V 4.6543 8.0497 116.6520 59.8335 34.0921 174.7376 100 Y 4.5149 8.5122 124.5243 57.4565 39.3560 174.9095 101 F 4.6668 8.9294 123.1029 56.9724 39.3893 175.5702 102 M 4.4832 9.0691 125.1512 57.8246 32.7136 176.8794 103 T 4.9050 7.8533 106.4004 60.2544 72.9913 172.8392 104 I 5.2056 8.2423 121.8074 60.0073 41.0054 174.4173 105 D 4.7059 9.4013 125.0833 52.3423 45.9585 174.9686 106 K 4.0476 8.3769 117.0698 57.3438 29.7904 175.4617 107 V 4.8624 7.2883 116.0294 60.0490 33.5301 176.5749 108 K 4.4969 7.9628 121.1168 54.7473 36.7284 174.8605 109 F 5.1582 8.7850 122.4987 56.3329 40.2707 175.1639 110 R 4.5061 9.0606 123.1536 57.3294 31.4904 177.4357 111 I 4.6700 7.6088 117.6533 58.3230 40.6258 173.3736 112 P 4.5595 0.0000 0.0000 63.0620 32.2194 175.4835 113 V 4.7406 8.4967 121.2189 61.6870 33.9987 174.4924 114 T 5.1578 8.9259 116.4795 58.9811 73.0113 171.3739 115 P 4.4661 0.0000 0.0000 64.5520 31.5477 177.0148 116 G 4.0303 9.2126 111.4566 45.0974 0.0000 173.4084 117 D 4.6127 7.9930 119.8889 53.6941 42.7688 175.9387 118 R 4.6533 8.2918 122.3733 54.5160 30.8080 174.6777 119 L 4.1629 8.4087 129.1400 54.4465 43.2026 174.8027 120 E 4.8912 9.0901 129.2125 54.8570 31.7227 174.0694 121 Y 5.0203 8.9920 125.5650 57.3699 40.0680 174.4462 122 H 4.9040 9.9884 121.6217 54.1698 31.2748 172.4080 123 L 5.3041 8.8548 123.3832 52.8311 45.0254 175.4531 124 E 5.1310 9.2525 122.2661 54.3220 33.6718 174.5507 125 V 4.1504 8.8302 126.8993 63.2465 31.3915 175.6357 126 L 4.4394 9.3473 129.3620 56.8774 42.8336 177.1633 127 K 4.3636 7.6168 116.3475 55.8052 35.6546 174.1994 128 H 4.7056 8.5456 125.5222 54.8002 32.1643 173.0295 129 K 4.2192 8.5579 126.6750 54.9791 34.0658 177.6223 130 G 3.9938 7.8341 117.1099 46.9612 0.0000 173.4265 131 M 4.4447 8.7016 125.2602 55.6386 32.4459 174.8087 132 I 4.9034 7.5000 121.8115 59.7691 39.3033 174.6881 133 W 5.0447 9.5795 127.0594 54.7945 32.4460 174.1387 134 Q 5.0946 9.6154 126.5576 54.6711 30.6025 174.6230 135 V 5.0964 9.1953 120.1365 60.0484 35.6818 174.9557 136 G 4.3250 8.2918 108.2238 45.0562 0.0000 173.5422 137 G 4.2089 7.4247 106.5136 46.2436 0.0000 171.1470 138 T 5.3307 8.2266 111.5004 60.1795 73.2945 172.8953 139 A 5.2636 8.8957 123.1689 50.3497 21.7479 175.6028 140 Q 5.0476 9.4143 120.4823 54.0602 33.7944 174.6467 141 V 4.5721 8.3567 120.9782 61.4100 34.6751 175.1580 142 D 4.3236 9.7046 128.6055 55.3738 39.3877 174.4700 143 G 3.9755 8.2054 104.7161 45.4887 0.0000 173.7250 144 K 4.4294 7.6356 119.7672 54.4096 33.7073 176.0134 145 V 4.0974 8.2754 122.8505 63.1917 31.7522 175.8288 146 V 4.4064 8.7615 120.7404 62.1414 33.6372 175.5657 147 A 5.1191 7.6541 120.1609 50.9766 22.6774 174.8879 148 E 5.1674 8.4290 117.8824 54.8229 34.2626 174.8807 149 A 4.7785 7.9598 119.8583 51.5761 23.4624 175.2137 150 E 5.1826 8.6595 119.4279 54.7471 33.4619 175.2936 151 L 5.3009 9.4709 121.8990 53.2970 46.9629 174.7759 152 K 5.2358 9.2107 123.1015 54.7539 35.4105 174.7069 153 A 5.0681 9.5151 127.5262 50.3558 23.4049 174.0777 154 M 5.2670 9.0322 118.5954 53.9174 35.4974 174.4079 155 I 4.8856 9.1114 126.7821 60.4237 38.7612 174.9318 156 A 4.8030 8.8186 127.1628 50.3151 23.4750 174.1925 157 E 4.6130 8.6200 120.2736 55.3827 30.5051 176.2784 158 R 3.9473 8.9221 130.6429 56.8242 31.4840 176.8977 *159 E 4.1353 8.4189 115.6456 56.0798 30.4726 173.1404 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 9 Q 8.34 4.41 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.77 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 10 S 7.84 4.39 0.00 3.92 3.70 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 11 Q 8.36 4.56 0.00 1.78 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.45 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 12 F 8.53 4.66 0.00 2.85 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 13 F 9.10 4.69 0.00 3.31 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 14 I 8.76 3.68 1.93 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 1.68 1.27 0.98 0.00 0.00 15 E 8.20 4.02 0.00 1.86 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 2.29 2.47 0.00 16 H 8.22 4.82 0.00 3.67 3.70 0.00 5.82 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 17 I 8.22 4.01 2.05 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.78 0.93 0.00 0.00 18 L 8.07 4.02 0.00 1.86 1.77 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.25 4.16 0.00 2.42 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.61 0.00 0.00 0.00 0.00 0.00 2.39 2.62 0.00 20 I 7.45 3.66 1.76 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.48 0.17 0.00 0.00 21 L 7.77 4.39 0.00 1.66 1.65 0.89 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.37 0.00 2.07 2.06 0.00 3.81 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.87 0.00 23 H 8.14 4.16 0.00 3.11 3.42 0.00 5.84 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 24 R 8.08 4.74 0.00 1.79 1.84 0.00 3.33 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.55 0.00 25 Y 8.60 4.31 0.00 2.96 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 26 P 0.00 4.02 0.00 1.65 0.80 0.00 3.64 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 27 M 8.65 4.51 0.00 1.91 2.02 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 28 L 7.87 4.41 0.00 1.66 1.65 0.96 1.04 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 29 L 8.97 4.80 0.00 1.64 1.81 0.98 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.59 4.40 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 0.71 0.00 0.00 0.78 0.00 0.00 31 D 8.63 4.61 0.00 2.43 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 32 R 7.08 4.38 0.00 1.45 0.82 0.00 3.20 0.00 0.00 3.09 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.18 0.00 33 I 8.58 4.64 2.01 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 -0.21 0.90 0.00 0.00 34 T 8.53 4.39 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 1.35 0.00 0.00 35 E 7.86 4.72 0.00 2.04 1.80 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 2.32 2.31 0.00 36 L 8.54 5.01 0.00 1.86 1.75 1.26 0.91 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 37 Q 9.15 4.67 0.00 2.08 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.64 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 38 A 8.80 4.03 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 39 N 9.27 4.57 0.00 2.96 3.04 0.00 0.00 6.84 8.48 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 40 Q 8.03 4.78 0.00 2.17 2.07 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 2.29 2.31 0.00 41 K 7.59 5.09 0.00 1.98 1.92 0.00 1.51 0.00 0.00 1.79 0.00 0.00 2.85 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.49 7.81 42 I 9.17 5.14 1.96 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 1.13 1.63 1.01 0.00 0.00 43 V 9.06 4.98 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.96 0.00 0.00 44 A 8.87 5.04 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 45 Y 8.41 5.04 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 46 K 9.03 4.96 0.00 2.10 1.62 0.00 1.91 0.00 0.00 1.44 0.00 0.00 2.94 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.34 1.47 7.81 47 N 9.64 4.92 0.00 2.69 2.78 0.00 0.00 6.92 7.06 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 48 I 8.48 4.58 2.01 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.76 1.05 0.00 0.00 49 T 9.30 4.93 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 1.36 0.00 0.00 50 F 8.98 3.95 0.00 2.88 3.06 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 0.00 0.00 0.00 51 N 7.53 4.76 0.00 2.83 2.87 0.00 0.00 6.98 7.53 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 52 E 7.93 4.82 0.00 2.19 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 2.40 2.61 0.00 53 D 8.93 4.31 0.00 2.83 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.68 3.57 1.56 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 0.55 0.00 0.00 0.23 0.00 0.00 55 F 7.41 4.48 0.00 2.87 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 56 N 8.48 4.68 0.00 2.75 2.89 0.00 0.00 6.68 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 7.61 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 58 H 7.50 3.71 0.00 2.68 2.84 0.00 5.62 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 F 9.30 5.20 0.00 3.09 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 60 P 0.00 4.47 0.00 2.12 2.10 0.00 4.03 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 2.12 2.38 0.00 61 N 9.32 4.33 0.00 2.92 2.96 0.00 0.00 6.77 7.61 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 62 K 8.40 4.68 0.00 1.79 1.77 0.00 1.58 0.00 0.00 1.73 0.00 0.00 3.10 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.52 7.81 63 P 0.00 5.13 0.00 1.70 2.15 0.00 3.84 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 1.99 2.07 0.00 64 I 9.11 4.96 2.16 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 0.97 1.09 0.00 0.00 65 F 9.61 4.19 0.00 3.16 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 66 P 0.00 3.87 0.00 1.62 1.44 0.00 2.42 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.19 0.00 67 G 8.50 3.06 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 0.00 0.00 0.00 0.00 0.00 0.00 68 V 7.49 3.78 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 0.80 0.00 0.00 0.76 0.00 0.00 69 L 7.53 4.01 0.00 1.04 1.36 0.36 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 70 I 7.58 4.12 2.37 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.23 1.19 0.00 0.00 71 V 7.95 3.65 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 1.06 0.00 0.00 1.10 0.00 0.00 72 E 8.18 3.83 0.00 2.06 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 2.24 2.27 0.00 73 G 8.33 3.75 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 0.00 0.00 0.00 74 M 7.90 3.73 0.00 2.07 2.23 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.08 2.84 0.00 75 A 7.79 3.53 0.35 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 76 Q 8.11 3.91 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.75 0.00 0.00 0.00 0.00 0.00 2.00 2.28 0.00 77 S 7.85 4.15 0.00 3.89 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 78 G 8.43 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 79 G 8.64 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 80 F 8.47 4.00 0.00 3.06 3.08 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 0.00 0.00 0.00 0.00 81 L 8.05 3.99 0.00 1.98 1.91 1.06 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 82 A 7.92 2.58 0.16 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 83 F 7.98 3.83 0.00 3.12 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 84 T 7.90 4.00 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 0.53 0.00 0.00 85 S 7.70 4.09 0.00 3.91 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 0.00 86 L 7.12 3.73 0.00 0.75 0.13 1.03 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 87 W 7.18 4.72 0.00 2.69 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 88 G 7.91 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 89 F 8.80 4.41 0.00 3.22 3.24 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 90 D 7.99 4.58 0.00 2.88 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.17 0.00 2.03 1.89 0.00 3.68 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.08 0.00 92 E 7.84 3.82 0.00 1.89 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 0.00 2.21 2.33 0.00 93 I 7.82 3.69 1.73 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.67 -0.05 0.00 0.00 94 A 7.91 3.36 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 K 7.58 4.01 0.00 1.72 1.78 0.00 1.58 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.55 7.81 96 T 7.60 4.47 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 1.10 0.00 0.00 97 K 7.68 5.21 0.00 1.56 1.72 0.00 1.56 0.00 0.00 1.57 0.00 0.00 2.45 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.11 7.81 98 I 8.38 4.52 1.57 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 0.97 -0.13 0.73 0.00 0.00 99 V 8.05 4.65 1.86 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 0.68 0.00 0.00 0.73 0.00 0.00 100 Y 8.51 4.51 0.00 2.88 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 0.00 101 F 8.93 4.67 0.00 3.04 3.08 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 0.00 0.00 0.00 0.00 102 M 9.07 4.48 0.00 1.94 2.17 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.49 0.00 103 T 7.85 4.90 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 1.25 0.00 0.00 104 I 8.24 5.21 1.89 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.71 0.96 0.00 0.00 105 D 9.40 4.71 0.00 2.60 2.50 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 0.00 0.00 0.00 0.00 106 K 8.38 4.05 0.00 1.82 1.80 0.00 1.90 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.40 7.81 107 V 7.29 4.86 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 0.81 0.00 0.00 0.32 0.00 0.00 108 K 7.96 4.50 0.00 1.57 1.61 0.00 1.85 0.00 0.00 1.79 0.00 0.00 2.79 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.37 7.81 109 F 8.79 5.16 0.00 2.95 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 0.00 110 R 9.06 4.51 0.00 1.88 2.01 0.00 3.26 0.00 0.00 3.24 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 111 I 7.61 4.67 1.92 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 1.51 0.65 0.95 0.00 0.00 112 P 0.00 4.56 0.00 2.15 2.12 0.00 3.78 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 113 V 8.50 4.74 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 1.11 0.00 0.00 1.05 0.00 0.00 114 T 8.93 5.16 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 1.28 0.00 0.00 115 P 0.00 4.47 0.00 1.98 2.08 0.00 3.52 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.06 0.00 116 G 9.21 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 0.00 117 D 7.99 4.61 0.00 2.75 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 8.29 4.65 0.00 1.67 1.70 0.00 2.90 0.00 0.00 2.86 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.21 0.00 119 L 8.41 4.16 0.00 1.63 1.42 0.86 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 120 E 9.09 4.89 0.00 1.95 1.88 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 2.19 2.36 0.00 121 Y 8.99 5.02 0.00 2.99 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 0.00 122 H 9.99 4.90 0.00 3.16 3.27 0.00 5.57 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 L 8.85 5.30 0.00 1.62 1.62 1.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 124 E 9.25 5.13 0.00 2.02 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 125 V 8.83 4.15 2.28 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 0.90 0.00 0.00 1.23 0.00 0.00 126 L 9.35 4.44 0.00 1.74 1.73 0.96 0.36 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 0.00 127 K 7.62 4.36 0.00 1.77 1.56 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.71 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.29 1.33 7.81 128 H 8.55 4.71 0.00 2.20 2.60 0.00 5.74 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 K 8.56 4.22 0.00 1.77 1.61 0.00 1.50 0.00 0.00 1.53 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.27 1.29 7.81 130 G 7.83 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 0.00 131 M 8.70 4.44 0.00 2.40 2.18 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.56 0.00 132 I 7.50 4.90 1.97 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 1.25 0.88 1.00 0.00 0.00 133 W 9.58 5.04 0.00 3.10 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 0.00 134 Q 9.62 5.09 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.67 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 135 V 9.20 5.10 2.21 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 0.90 0.00 0.00 1.16 0.00 0.00 136 G 8.29 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 0.00 137 G 7.42 4.21 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 0.00 138 T 8.23 5.33 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 1.22 0.00 0.00 139 A 8.90 5.26 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 0.00 140 Q 9.41 5.05 0.00 1.92 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.70 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 141 V 8.36 4.57 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.90 0.00 0.00 142 D 9.70 4.32 0.00 2.77 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 0.00 143 G 8.21 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 0.00 0.00 0.00 144 K 7.64 4.43 0.00 1.84 1.72 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.48 7.81 145 V 8.28 4.10 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 0.80 0.00 0.00 0.92 0.00 0.00 146 V 8.76 4.41 2.38 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 0.72 0.00 0.00 1.03 0.00 0.00 147 A 7.65 5.12 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 0.00 148 E 8.43 5.17 0.00 1.82 1.76 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 2.20 2.19 0.00 149 A 7.96 4.78 1.16 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 0.00 150 E 8.66 5.18 0.00 2.04 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 2.23 2.25 0.00 151 L 9.47 5.30 0.00 1.80 1.80 0.93 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 152 K 9.21 5.24 0.00 1.89 1.69 0.00 1.60 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.41 7.81 153 A 9.52 5.07 0.40 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 0.00 154 M 9.03 5.27 0.00 2.25 1.96 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.61 0.00 155 I 9.11 4.89 2.07 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.13 1.18 0.00 0.00 156 A 8.82 4.80 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 0.00 157 E 8.62 4.61 0.00 1.98 1.86 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 2.25 2.32 0.00 158 R 8.92 3.95 0.00 1.77 1.76 0.00 3.29 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 *159 E 8.42 4.14 0.00 1.77 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 2.13 2.38 0.00 * Residues marked with a * may have inaccurate shift predictions.