NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.5966 8.3293 119.6272 56.0705 30.4105 173.8477 3 S 4.3971 8.3703 116.5050 56.1590 67.3493 171.5983 4 W 5.3296 9.3623 121.1414 56.7935 31.3827 176.2465 5 Y 5.4302 9.7656 118.4999 56.1413 42.9415 174.0197 6 L 4.8095 8.8119 120.4358 53.1516 44.5341 175.7705 7 L 4.9331 8.7062 124.0445 53.0694 44.9749 174.7740 8 Y 4.3314 8.6467 122.4264 55.8402 41.3418 174.2515 9 C 5.0089 7.0767 123.2237 57.3022 31.3108 174.0057 10 K 3.9534 8.9900 121.3787 57.3385 32.6570 179.4144 11 R 3.6407 7.9361 122.0913 59.0362 30.9375 177.5833 12 G 4.1494 7.7759 102.6554 44.7822 0.0000 173.0196 13 Q 4.4349 7.8951 116.7160 55.1797 28.8460 177.0022 14 L 3.8070 7.6035 123.6563 58.2045 42.2077 178.5179 15 Q 3.9392 7.9883 118.7896 59.3326 29.1365 178.3427 16 R 3.8891 7.9387 118.1566 59.2726 30.2097 178.7056 17 A 3.9781 8.4316 120.8514 55.1996 18.2070 179.3676 18 Q 3.9370 8.4233 118.3715 59.5041 29.0408 178.4704 19 E 4.4938 8.0342 120.3986 59.0157 29.3914 178.9229 20 H 4.0051 8.0128 117.7653 59.3330 30.2420 177.3752 21 L 4.1434 8.1290 120.1526 57.0346 41.3228 178.8127 22 E 4.5354 7.7151 119.8119 57.6153 29.8079 178.5674 23 R 3.9574 7.9514 117.7128 58.2969 30.3127 177.4608 24 Q 4.2410 7.7735 116.5024 55.0011 29.4748 176.0554 25 A 4.1860 8.3495 119.6734 53.3794 17.9970 178.0009 26 V 3.9884 7.6622 117.6080 63.0362 33.2766 174.5457 27 N 5.2495 8.6107 123.9581 52.1314 40.2288 174.0534 28 C 5.7490 8.7637 120.7440 57.6962 31.7459 173.9787 29 L 4.3911 8.6555 122.8427 54.7154 43.9416 173.6268 30 A 4.8118 8.5660 129.2153 48.9801 19.3742 173.6179 31 P 4.4386 0.0000 0.0000 63.3784 32.8946 175.1041 32 M 5.1529 8.4724 120.6986 53.5478 35.5735 174.8350 33 I 4.5783 9.2155 122.1229 59.3622 41.6257 174.2059 34 T 4.9404 8.4420 119.1836 60.4943 69.8014 173.7497 35 L 4.7955 9.1064 125.9274 52.7205 46.8206 175.8331 36 E 4.6042 8.7804 122.3433 55.2665 29.3452 174.9196 37 K 4.6912 8.3933 128.0365 54.1933 36.1856 175.2792 38 I 4.2821 8.2236 125.1405 60.6751 36.2580 175.8137 39 V 3.8982 7.6797 127.5439 63.8353 32.3901 176.6166 40 R 4.4963 7.0779 117.4348 54.3591 30.7048 176.6952 41 G 4.0534 8.2716 107.2406 45.5188 0.0000 171.6707 42 K 4.4556 7.6678 119.1281 55.2204 34.0368 176.3972 43 R 4.8973 8.0659 123.0282 55.4726 28.5138 175.3925 44 T 4.3985 7.8797 116.4363 62.3312 70.4017 175.2381 45 A 4.3154 8.5662 127.8645 52.3694 19.3183 176.6758 46 V 4.5027 9.0527 120.4491 61.3230 36.1208 173.8536 47 S 5.1191 8.6211 118.0392 56.6843 64.4766 172.5896 48 E 4.8739 9.0875 126.0386 53.3341 33.9578 173.5629 49 P 4.6678 0.0000 0.0000 62.9900 31.3151 176.3059 50 L 3.8297 8.5334 127.8846 57.7570 42.1883 177.8945 51 F 4.8970 7.2987 119.5746 55.5232 41.2268 174.5917 52 P 4.4445 0.0000 0.0000 57.8518 34.3539 177.6556 53 N 4.3808 9.0015 121.8744 55.6570 38.6846 173.1218 54 Y 4.8092 8.4905 117.2696 57.2748 39.7180 175.2410 55 L 4.7691 8.6548 123.8150 53.6083 45.6807 175.4053 56 F 4.8970 9.3326 125.6509 57.6198 40.4475 174.8400 57 V 5.2250 9.8361 122.3024 61.3076 35.1837 173.6071 58 E 5.2571 9.5041 128.5595 53.6724 31.7918 174.4940 59 F 5.0417 8.0598 120.7798 56.0638 42.3016 172.3665 60 D 4.9007 8.6823 118.1749 51.7903 42.0195 174.5622 61 P 4.6298 0.0000 0.0000 65.1556 31.5473 177.5649 62 E 4.1731 8.8428 116.9514 58.6577 29.5658 177.9921 63 V 3.9305 7.7527 116.2588 63.9145 32.4559 175.8087 64 I 4.0917 8.5539 120.3949 61.3153 39.7447 173.3763 65 H 5.0664 8.6290 121.5414 55.0170 30.2759 177.4133 66 T 3.0384 7.8214 114.0921 66.2850 68.7977 176.8315 67 T 3.5426 6.6357 116.5862 66.5568 70.0610 175.7788 68 T 3.9582 8.4072 117.8442 66.9457 68.5510 176.9173 69 I 3.6005 7.6928 121.1005 64.4954 36.7818 178.0657 70 N 4.4312 8.0959 116.0936 56.2789 38.4884 176.9200 71 A 4.2046 7.6443 120.6647 53.9758 18.6636 177.7319 72 T 3.5400 7.1031 114.4082 63.8825 68.7989 173.6269 73 R 4.0418 8.4460 125.6873 58.0491 30.4771 176.5280 74 G 4.4202 8.9894 110.8658 44.5568 0.0000 173.0759 75 V 4.0952 7.5470 120.3214 62.0511 31.7915 175.4463 76 S 4.6219 8.4910 123.3447 60.8855 64.1474 173.8007 77 H 4.7873 7.6384 113.2296 54.9277 31.0546 172.9299 78 F 5.1660 9.2258 117.6197 56.2743 40.8187 176.0966 79 V 4.2314 8.7856 121.4389 62.7245 32.8815 175.3083 80 R 5.1677 8.4724 123.6109 53.3936 32.7389 174.0133 81 F 4.3618 8.2781 124.0493 59.5323 40.1953 175.4699 82 G 3.4352 8.5127 117.8769 46.3208 0.0000 173.4023 83 A 3.9589 8.1921 129.5695 54.9877 18.6837 178.2330 84 S 4.1236 7.8608 108.7762 60.9457 62.4823 172.6524 85 P 4.3256 0.0000 0.0000 62.7067 31.8443 175.8058 86 A 4.4974 8.3476 123.8985 51.9953 19.3716 177.3431 87 I 4.2653 9.0326 122.1154 60.7701 39.3023 175.6577 88 V 4.4842 7.8840 124.6381 59.7454 31.8793 173.5512 89 P 4.5821 0.0000 0.0000 62.1264 32.1429 177.0307 90 S 4.2424 8.7220 117.6088 57.9657 64.0266 174.9080 91 A 4.1461 8.8528 124.1938 55.8453 17.8017 180.4221 92 V 3.6621 7.7936 116.0096 65.9199 31.4707 178.0609 93 I 3.7915 7.5094 119.0870 64.7264 37.2481 177.7869 94 H 3.7456 8.0155 116.3209 58.6657 28.4515 177.2826 95 Q 3.4533 7.7212 119.6823 59.1607 28.4727 179.6242 96 L 3.7243 7.1141 117.1892 56.7110 41.5397 179.2683 97 S 3.6139 6.9710 113.1249 60.9726 62.5002 174.6204 98 V 3.4376 7.0161 121.1187 64.6273 31.2082 176.4981 99 Y 4.3989 7.4894 118.6214 60.1228 39.9021 179.3278 100 K 4.3841 7.2547 117.8966 55.7690 31.7999 177.7480 *115 K 4.3736 9.0179 127.9055 57.4770 33.3685 177.9057 116 V 3.9156 7.6757 114.9926 64.3301 31.4587 176.3202 117 I 4.1731 7.5369 119.0757 62.1404 38.8229 177.4525 118 I 4.0666 7.4215 121.8147 62.9704 37.4175 178.1471 119 T 3.9089 8.0451 116.7771 66.8254 68.1521 176.7211 120 E 4.3323 8.1070 119.4019 58.3207 29.4507 179.3912 121 G 3.5026 7.4935 105.8958 47.3162 0.0000 175.7023 122 A 4.0506 8.4161 124.1902 55.3951 18.6887 179.0948 123 F 3.4756 9.2730 111.7597 62.1745 38.9384 177.5820 124 E 4.3658 7.9060 121.7221 59.7629 29.9446 179.7509 125 G 3.4539 8.0816 105.7972 47.9751 0.0000 175.8865 126 F 3.7892 8.4569 120.8177 59.2598 38.5878 177.9538 127 Q 4.0836 7.7649 116.9696 58.9527 28.8761 178.3199 128 A 4.1582 7.7286 121.2123 55.4069 17.9705 179.7619 129 I 3.6863 7.5209 118.1659 64.4149 36.9563 178.0707 130 F 4.9725 8.1018 115.8677 59.0121 39.0258 176.0186 131 T 4.4575 7.7014 114.0524 63.2027 69.9986 174.0338 132 E 4.1546 7.7762 122.2896 55.0227 29.8620 174.1933 133 P 4.4308 0.0000 0.0000 65.2554 31.4636 176.7341 134 D 5.1755 8.0331 117.6996 51.2386 42.8348 177.4230 135 G 3.6895 8.5312 108.2742 48.0707 0.0000 175.3236 136 E 3.8827 8.4870 121.2937 59.4573 29.4401 178.8442 137 A 4.1011 8.0096 119.8300 54.9472 18.5493 179.6895 138 R 3.9789 7.6844 115.6984 59.2314 30.1230 179.1462 139 S 3.9074 9.0321 115.8701 61.8847 62.8697 176.4739 140 M 3.9158 7.5913 120.2433 58.6879 31.8126 178.7729 141 L 3.9048 7.7791 118.7448 57.7022 41.6317 179.6443 142 L 3.5391 8.1217 120.4214 57.9198 41.9665 178.8850 143 L 3.8038 7.9133 119.2662 57.9170 41.4852 179.3083 144 N 4.2845 8.6126 116.5835 56.3242 38.4809 177.2869 145 L 3.8494 7.8340 121.5754 57.9754 42.0082 179.1067 146 I 3.7374 7.8949 120.3661 63.9315 37.2309 177.6861 147 N 4.3922 8.4995 118.3680 57.0043 38.8098 176.5384 148 K 3.9029 8.3521 119.9607 59.4856 31.6795 178.6882 149 E 3.9246 8.3424 118.2844 60.0197 29.5953 180.0751 150 I 3.5462 7.6645 120.7454 63.5329 37.0063 178.4308 151 K 3.9548 7.6623 119.1020 59.8711 31.9393 178.6346 152 H 4.1821 8.1714 118.4982 59.3101 29.3039 177.2538 153 S 3.9896 7.7170 115.5576 62.1510 62.4264 176.0672 154 V 3.7317 7.5826 121.2527 64.7152 31.3235 177.4258 155 K 3.9956 8.4045 120.8644 58.7868 32.2724 176.8080 156 N 4.5987 8.0874 120.1302 53.2617 38.9866 174.0980 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 2 Q 8.33 4.60 0.00 1.84 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.75 0.00 0.00 0.00 0.00 0.00 2.18 2.32 0.00 3 S 8.37 4.40 0.00 3.59 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 4 W 9.36 5.33 0.00 3.41 3.38 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 5 Y 9.77 5.43 0.00 3.42 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 6 L 8.81 4.81 0.00 1.55 1.54 0.56 -0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.71 4.93 0.00 1.52 1.29 0.61 -0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 8 Y 8.65 4.33 0.00 2.45 2.24 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 9 C 7.08 5.01 0.00 2.51 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 10 K 8.99 3.95 0.00 1.73 1.69 0.00 1.87 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.35 7.81 11 R 7.94 3.64 0.00 1.76 1.88 0.00 3.24 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 12 G 7.78 4.15 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 0.00 0.00 0.00 13 Q 7.90 4.43 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.74 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 14 L 7.60 3.81 0.00 1.57 1.60 0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 7.99 3.94 0.00 2.19 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 16 R 7.94 3.89 0.00 1.97 1.95 0.00 3.34 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 17 A 8.43 3.98 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 18 Q 8.42 3.94 0.00 2.26 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.61 2.47 0.00 19 E 8.03 4.49 0.00 2.04 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 2.55 2.32 0.00 20 H 8.01 4.01 0.00 3.27 3.35 0.00 5.79 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 21 L 8.13 4.14 0.00 1.75 1.71 0.86 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 22 E 7.72 4.54 0.00 2.11 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 2.32 2.39 0.00 23 R 7.95 3.96 0.00 1.81 1.93 0.00 3.29 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.75 0.00 24 Q 7.77 4.24 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.09 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 25 A 8.35 4.19 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 26 V 7.66 3.99 2.24 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 1.07 0.00 0.00 0.84 0.00 0.00 27 N 8.61 5.25 0.00 2.60 2.88 0.00 0.00 6.91 8.15 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 28 C 8.76 5.75 0.00 3.10 2.96 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 29 L 8.66 4.39 0.00 1.87 1.68 0.54 1.13 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 30 A 8.57 4.81 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 31 P 0.00 4.44 0.00 2.00 1.92 0.00 3.79 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 32 M 8.47 5.15 0.00 1.83 1.90 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 33 I 9.22 4.58 1.81 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 1.21 2.05 0.93 0.00 0.00 34 T 8.44 4.94 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 1.17 0.00 0.00 35 L 9.11 4.80 0.00 1.50 1.53 0.96 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.78 4.60 0.00 1.96 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 2.24 2.29 0.00 37 K 8.39 4.69 0.00 1.81 1.59 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.38 7.81 38 I 8.22 4.28 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 1.30 0.67 0.91 0.00 0.00 39 V 7.68 3.90 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 0.76 0.00 0.00 0.93 0.00 0.00 40 R 7.08 4.50 0.00 1.85 1.78 0.00 3.27 0.00 0.00 3.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 41 G 8.27 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 42 K 7.67 4.46 0.00 1.84 1.72 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.36 7.81 43 R 8.07 4.90 0.00 1.76 1.85 0.00 3.23 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 44 T 7.88 4.40 4.24 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 1.21 0.00 0.00 45 A 8.57 4.32 1.21 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 46 V 9.05 4.50 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.00 0.00 0.00 47 S 8.62 5.12 0.00 3.85 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 48 E 9.09 4.87 0.00 1.89 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 2.21 2.24 0.00 49 P 0.00 4.67 0.00 1.98 2.04 0.00 3.71 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 50 L 8.53 3.83 0.00 1.44 0.34 0.82 0.38 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 51 F 7.30 4.90 0.00 3.22 2.99 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 52 P 0.00 4.44 0.00 2.46 1.70 0.00 3.84 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 53 N 9.00 4.38 0.00 1.68 2.30 0.00 0.00 6.82 7.48 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 54 Y 8.49 4.81 0.00 3.18 2.84 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 55 L 8.65 4.77 0.00 1.72 1.43 0.99 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 56 F 9.33 4.90 0.00 3.38 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 57 V 9.84 5.23 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 1.20 0.00 0.00 1.06 0.00 0.00 58 E 9.50 5.26 0.00 1.16 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 0.00 0.00 0.00 1.68 1.47 0.00 59 F 8.06 5.04 0.00 3.09 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 D 8.68 4.90 0.00 2.71 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 61 P 0.00 4.63 0.00 2.11 2.19 0.00 3.76 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.00 0.00 62 E 8.84 4.17 0.00 2.04 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 2.36 2.26 0.00 63 V 7.75 3.93 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.00 0.00 0.00 64 I 8.55 4.09 1.91 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 1.32 0.45 0.64 0.00 0.00 65 H 8.63 5.07 0.00 3.28 3.59 0.00 5.48 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 7.82 3.04 4.04 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 0.00 0.00 0.28 0.00 0.00 67 T 6.64 3.54 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 1.20 0.00 0.00 68 T 8.41 3.96 4.11 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 1.13 0.00 0.00 69 I 7.69 3.60 2.19 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 -0.03 0.63 0.00 0.00 70 N 8.10 4.43 0.00 3.03 2.95 0.00 0.00 6.98 6.71 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 71 A 7.64 4.20 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 72 T 7.10 3.54 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 73 R 8.45 4.04 0.00 1.75 1.87 0.00 3.16 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 74 G 8.99 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 0.00 0.00 0.00 0.00 75 V 7.55 4.10 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 0.81 0.00 0.00 0.88 0.00 0.00 76 S 8.49 4.62 0.00 4.09 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 77 H 7.64 4.79 0.00 3.31 3.49 0.00 5.44 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 78 F 9.23 5.17 0.00 2.98 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 79 V 8.79 4.23 2.20 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 1.00 0.00 0.00 1.14 0.00 0.00 80 R 8.47 5.17 0.00 1.85 1.96 0.00 3.31 0.00 0.00 2.80 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 81 F 8.28 4.36 0.00 2.96 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 8.51 3.44 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 0.00 0.00 0.00 83 A 8.19 3.96 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 84 S 7.86 4.12 0.00 3.83 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 85 P 0.00 4.33 0.00 2.37 2.04 0.00 3.76 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 2.16 2.13 0.00 86 A 8.35 4.50 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 I 9.03 4.27 1.93 0.00 0.00 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 1.32 1.45 0.95 0.00 0.00 88 V 7.88 4.48 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.71 0.00 0.00 89 P 0.00 4.58 0.00 2.22 2.08 0.00 3.97 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.19 0.00 90 S 8.72 4.24 0.00 4.02 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 91 A 8.85 4.15 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 92 V 7.79 3.66 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.99 0.00 0.00 93 I 7.51 3.79 2.02 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 1.53 0.66 0.92 0.00 0.00 94 H 8.02 3.75 0.00 3.09 2.95 0.00 5.65 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 95 Q 7.72 3.45 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.50 2.71 0.00 96 L 7.11 3.72 0.00 1.08 1.25 1.04 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 97 S 6.97 3.61 0.00 3.47 3.54 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 98 V 7.02 3.44 1.59 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 0.79 0.00 0.00 0.68 0.00 0.00 99 Y 7.49 4.40 0.00 3.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 K 7.25 4.38 0.00 1.90 0.86 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.28 7.81 *115 K 9.02 4.37 0.00 1.83 1.86 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.44 7.81 116 V 7.68 3.92 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 1.08 0.00 0.00 0.90 0.00 0.00 117 I 7.54 4.17 0.99 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.68 0.71 0.00 0.00 118 I 7.42 4.07 1.97 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 2.12 1.43 1.01 0.00 0.00 119 T 8.05 3.91 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 0.55 0.00 0.00 120 E 8.11 4.33 0.00 2.14 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 2.33 2.51 0.00 121 G 7.49 3.50 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 0.00 0.00 0.00 122 A 8.42 4.05 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 9.27 3.48 0.00 3.29 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 0.00 124 E 7.91 4.37 0.00 2.16 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 2.44 2.50 0.00 125 G 8.08 3.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 F 8.46 3.79 0.00 3.09 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 0.00 127 Q 7.76 4.08 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.94 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00 128 A 7.73 4.16 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 0.00 129 I 7.52 3.69 1.54 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.05 1.05 0.00 0.00 130 F 8.10 4.97 0.00 3.28 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 0.00 131 T 7.70 4.46 4.40 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 1.25 0.00 0.00 132 E 7.78 4.15 0.00 2.26 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 2.34 2.44 0.00 133 P 0.00 4.43 0.00 2.09 2.13 0.00 3.71 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 134 D 8.03 5.18 0.00 2.90 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 G 8.53 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 0.00 136 E 8.49 3.88 0.00 2.15 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 2.45 2.53 0.00 137 A 8.01 4.10 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 138 R 7.68 3.98 0.00 2.19 2.31 0.00 3.23 0.00 0.00 3.44 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.73 0.00 139 S 9.03 3.91 0.00 4.08 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 0.00 140 M 7.59 3.92 0.00 2.01 2.24 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 2.61 2.73 0.00 141 L 7.78 3.90 0.00 1.90 1.60 0.88 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 142 L 8.12 3.54 0.00 1.16 1.41 0.52 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 143 L 7.91 3.80 0.00 1.70 1.61 0.82 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 144 N 8.61 4.28 0.00 2.60 2.82 0.00 0.00 6.72 7.09 0.00 0.00 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 L 7.83 3.85 0.00 1.65 1.74 0.88 0.40 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 0.00 146 I 7.89 3.74 1.91 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 1.34 0.50 0.87 0.00 0.00 147 N 8.50 4.39 0.00 2.96 2.89 0.00 0.00 7.22 5.55 0.00 0.00 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 K 8.35 3.90 0.00 1.96 1.79 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.72 7.81 149 E 8.34 3.92 0.00 2.07 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 2.39 2.51 0.00 150 I 7.66 3.55 0.81 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.33 -0.29 0.00 0.00 151 K 7.66 3.95 0.00 2.00 1.98 0.00 1.76 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.89 1.97 7.81 152 H 8.17 4.18 0.00 3.19 3.47 0.00 5.61 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 0.00 153 S 7.72 3.99 0.00 4.03 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 0.00 154 V 7.58 3.73 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 0.91 0.00 0.00 0.98 0.00 0.00 155 K 8.40 4.00 0.00 1.89 1.92 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.65 7.81 156 N 8.09 4.60 0.00 2.83 2.66 0.00 0.00 6.86 6.99 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 * Residues marked with a * may have inaccurate shift predictions.