NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4589 8.3049 120.3505 55.3368 33.4598 175.4817 2 E 4.0031 8.9185 125.5093 57.8813 29.9717 175.7611 3 L 4.8265 8.5301 117.8578 52.6944 45.5131 175.2537 4 I 4.4657 8.3443 122.7779 59.4895 39.2171 174.9114 5 R 4.5040 8.5114 125.8132 54.6484 31.3950 174.9175 6 F 4.9286 7.7901 118.3137 55.9275 40.6467 173.0408 7 S 4.7817 8.4951 115.3667 56.7001 65.3877 173.0464 8 I 4.6594 7.8242 119.3534 59.7169 40.8152 173.9183 9 S 4.8519 8.4851 121.0767 56.7728 64.9791 173.9177 10 I 4.6427 7.9278 124.1524 57.7955 41.1212 173.9504 11 P 4.3228 0.0000 0.0000 62.7517 32.8027 177.7070 12 S 4.1435 8.7412 117.2641 61.6317 62.8918 176.9784 13 K 3.9090 8.0156 121.4598 59.2063 31.9667 178.8051 14 L 3.9828 7.8773 119.9582 58.1493 41.9495 178.6174 15 L 4.0947 8.0728 120.3132 57.8851 41.9729 178.7834 16 E 3.9619 8.5793 119.1577 59.2384 29.4755 179.1436 17 K 3.9344 7.9234 119.1036 59.4792 32.2667 178.4565 18 F 4.2579 8.2058 120.7150 61.5612 39.3595 176.7944 19 D 4.1965 8.4842 118.6739 57.2389 40.6674 178.5213 20 Q 3.9123 8.1949 120.0105 59.2214 29.0850 178.4210 21 I 3.6672 7.7170 120.8570 64.4730 37.2686 178.6308 22 I 3.8676 7.5673 113.5525 63.7330 37.0578 178.1043 23 E 3.9729 8.0397 120.7950 59.2104 29.0587 178.9256 24 E 3.9703 7.7599 117.0787 59.6550 29.6914 179.1934 25 I 3.8160 7.4618 118.3669 62.8974 37.0820 177.2267 26 G 4.0467 7.4126 106.9023 45.3492 0.0000 173.2546 27 Y 4.2666 7.6371 116.9065 57.7987 38.3399 176.1969 28 E 4.2439 9.4698 123.6020 58.6647 30.3341 176.3119 29 N 4.9124 7.6380 113.9256 50.3985 40.2490 175.3987 30 R 3.9559 8.5364 117.4919 59.4902 29.9071 179.4738 31 S 4.0705 8.0496 114.5665 61.4257 62.8253 176.4331 32 E 3.9381 8.6356 121.1541 59.3104 29.2944 179.2179 33 A 2.9952 6.8920 119.8055 55.0123 18.2709 179.8449 34 I 3.7236 7.8998 118.4248 64.2033 37.0672 178.5540 35 R 3.8973 8.2060 119.9397 59.7427 29.9325 178.3654 36 D 4.4292 8.1909 118.5177 57.3782 40.8808 178.7968 37 L 4.1108 8.0708 119.5805 57.7693 41.5746 179.6845 38 I 3.7607 8.1085 120.1609 64.2183 37.0777 178.3926 39 R 3.9128 8.2042 119.6313 59.6583 29.9217 178.2766 40 D 4.3410 8.2148 118.6495 57.2565 40.7698 178.5885 41 F 4.0732 8.2253 120.9608 61.3520 39.2007 177.2401 42 I 3.6356 7.7961 118.1882 64.3770 37.3274 178.1555 43 I 3.5541 7.6292 120.4976 64.4604 36.7096 178.8398 44 R 2.5648 7.3560 117.2930 58.2228 29.7215 177.7529 45 H 4.5233 7.0927 114.0030 55.4446 29.0272 175.4044 46 E 4.5143 7.3637 121.0208 56.2661 31.6142 177.0170 47 W 4.4800 7.8105 118.3221 57.0027 29.5492 175.3752 48 E 4.4277 8.7215 123.2209 55.8083 30.0903 176.1837 49 V 4.2831 9.8736 116.2121 60.5146 34.7774 176.9214 50 G 3.9738 9.8170 104.7756 44.2888 0.0000 174.0777 51 N 4.9291 8.2904 121.8994 54.3596 41.5931 175.1144 52 E 4.3271 8.2076 118.1640 56.1353 31.4859 174.9536 53 E 4.7797 8.5356 120.0432 56.1596 30.3339 176.8884 54 V 4.7800 9.2783 116.8963 59.4358 36.8100 174.2528 55 A 5.0288 8.8537 123.5683 50.4856 22.0764 175.8629 56 G 4.6669 9.3888 108.9284 45.4162 0.0000 171.1439 57 T 5.3214 8.7583 108.3500 59.9795 72.7365 173.1918 58 I 4.8949 8.9343 124.8134 60.0812 40.3261 174.4072 59 T 5.1583 8.8313 125.0307 62.0241 70.4721 174.1850 60 I 5.2918 9.0068 119.0069 59.3790 41.8666 174.1215 61 V 4.9749 8.6202 122.8763 61.6313 35.0732 173.7731 62 Y 4.9607 8.0996 123.3460 56.3861 42.1296 172.5770 63 N 5.3516 8.7441 119.2932 52.4303 39.7290 175.2551 64 H 4.7317 9.1500 122.8803 57.6584 28.8257 175.8177 65 D 4.6390 8.5371 119.5320 54.5059 41.0392 176.2029 66 E 4.1535 8.4831 122.0914 57.1667 31.3266 176.6733 67 G 4.0702 7.8876 113.3527 46.5813 0.0000 173.9710 68 D 4.9845 8.3240 123.3015 52.0541 40.0477 178.2557 69 V 3.4895 7.6473 122.0071 66.0784 31.1428 177.4453 70 V 3.4383 7.6730 118.3606 65.4610 31.3223 177.8159 71 K 3.9147 7.9474 118.5899 59.2933 32.1073 178.4728 72 A 3.9443 8.2385 121.4078 55.1475 18.3274 179.3577 73 L 3.8828 8.3266 117.7408 58.0536 41.7243 179.9303 74 L 4.0381 7.7007 118.0208 57.9922 41.3954 179.2358 75 D 4.3766 8.0167 117.5127 57.3355 40.9507 178.4354 76 L 4.1721 8.2499 120.9794 58.3636 42.2389 179.0981 77 Q 4.1535 8.3346 118.0486 59.2650 28.5036 177.9837 78 H 4.3731 8.6361 115.4022 57.5462 28.8081 176.8730 79 E 4.0516 7.7771 120.0481 57.4860 30.5899 176.4144 80 Y 4.7960 7.5166 116.7787 56.6095 38.1665 177.1048 81 L 4.0469 7.9640 120.6463 58.1161 42.4575 179.3812 82 D 4.5227 8.1734 117.3071 56.9086 41.2099 177.0856 83 E 4.6105 8.1298 117.0750 57.0648 30.3675 175.8741 84 I 4.4952 7.6406 120.1938 60.6223 37.3324 175.7290 85 I 3.9947 8.5610 127.4273 63.5933 37.3208 176.4494 86 S 4.7566 7.5829 114.9911 58.0605 67.3760 173.8746 87 S 5.0964 8.5315 114.6450 56.8300 66.0095 172.9552 88 L 4.7785 9.0552 124.5971 53.6908 44.2944 174.4137 89 H 5.3399 8.7779 124.6781 54.3250 32.9899 172.4251 90 V 4.2907 8.6420 125.1145 61.2865 34.3517 174.3057 91 H 4.8182 8.7279 125.7884 55.4799 28.4840 175.2821 92 M 4.2009 8.7581 125.8263 57.9262 31.7644 176.1168 93 D 4.5924 7.6020 115.2186 52.2078 41.9463 174.3986 94 E 3.6793 8.8813 118.8211 59.6071 29.6396 177.6335 95 H 4.8464 8.2272 113.8886 56.3560 32.1211 174.4341 96 N 5.2751 9.5527 116.7753 52.5943 40.2172 174.4613 97 C 5.1984 8.9796 120.1011 57.6779 32.4504 172.5917 98 L 5.0460 8.4273 123.9196 53.2065 44.5483 174.7439 99 E 5.1736 9.4065 126.3410 54.3997 33.7480 174.2265 100 V 4.8411 8.9779 125.6222 61.3230 34.7166 173.9784 101 I 4.7944 8.9630 129.8554 59.8264 39.1962 174.9038 102 V 4.6491 8.6518 127.9290 61.9218 32.9922 175.1948 103 V 5.2428 8.8492 120.5795 59.6820 36.2869 174.5646 104 K 4.9302 8.9872 120.7858 54.8745 36.2972 176.8789 105 G 3.9709 7.9960 109.0997 45.3492 0.0000 170.5576 106 E 4.5260 8.1988 119.5696 55.8089 30.9199 177.1570 107 A 3.9434 8.7544 126.7272 55.4068 18.4595 179.7281 108 K 3.7981 8.0195 117.1979 59.7775 32.2515 178.8022 109 K 3.9753 7.9530 119.2323 59.2391 32.1320 178.7104 110 I 3.5781 7.8759 120.3379 64.1563 37.0099 178.1283 111 K 3.8506 8.1150 120.4983 59.8039 32.1221 178.3942 112 M 3.9776 7.8150 117.8390 58.6339 32.1239 178.2891 113 I 3.3775 7.8265 119.8875 64.1929 37.2406 178.1972 114 A 3.9735 8.2589 122.0032 55.3067 18.1169 179.3539 115 D 4.3647 8.2729 117.3944 57.5611 40.6713 179.2849 116 K 4.0355 7.7103 117.4801 59.2353 32.3957 179.2905 117 L 4.1327 7.9210 119.2580 57.9468 41.4827 179.6234 118 L 4.1895 8.3037 117.5255 56.6467 41.5715 178.5695 119 S 4.6353 7.4441 111.9576 57.0624 64.1916 174.2689 120 L 4.1032 7.3831 124.0044 54.3801 42.0199 176.5035 121 K 4.1844 8.3842 124.4368 57.6926 32.7075 176.0767 122 G 4.4291 8.9723 113.7448 44.8733 0.0000 173.8042 123 V 3.9656 7.3139 119.1844 62.0840 31.3154 175.9850 124 K 4.1735 8.8208 128.5167 59.7112 32.4561 176.6735 125 H 4.6522 7.2447 115.4827 55.4656 33.0202 172.9216 126 G 4.3857 7.8768 108.6620 46.4517 0.0000 172.5502 127 K 4.8191 8.3383 119.0414 54.6862 36.9811 175.0745 128 L 5.0253 8.4947 124.9629 53.5645 44.4784 175.7898 129 V 4.3999 8.6640 124.1534 61.5948 34.3761 173.8624 130 M 5.1113 8.6999 127.2486 54.0384 34.5863 175.1548 131 T 4.6222 8.4831 115.2091 60.9529 72.0570 172.0452 132 S 5.0407 8.4645 120.4936 56.4832 63.7871 174.7752 133 T 4.1091 8.8934 116.9087 63.0363 69.1706 176.5321 134 G 3.9645 7.8225 114.8116 45.7390 0.0000 173.6490 135 K 4.3019 8.3336 122.6549 54.8420 33.4328 175.8776 136 E 3.8000 8.6571 124.6652 57.1241 30.0093 177.7481 *137 L 4.1530 8.2393 119.8199 54.4679 41.6744 176.2054 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 1 M 8.30 4.46 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.82 0.00 2 E 8.92 4.00 0.00 2.09 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 2.35 0.00 3 L 8.53 4.83 0.00 1.60 1.55 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.34 4.47 1.98 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 1.34 0.63 1.04 0.00 0.00 5 R 8.51 4.50 0.00 1.75 1.82 0.00 3.22 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 6 F 7.79 4.93 0.00 3.11 2.95 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 7 S 8.50 4.78 0.00 3.96 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 8 I 7.82 4.66 1.98 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 1.40 0.81 0.86 0.00 0.00 9 S 8.49 4.85 0.00 3.86 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 I 7.93 4.64 1.83 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.53 0.85 0.00 0.00 11 P 0.00 4.32 0.00 2.14 1.97 0.00 3.58 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 12 S 8.74 4.14 0.00 4.05 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.02 3.91 0.00 1.79 1.91 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.53 1.45 7.81 14 L 7.88 3.98 0.00 1.74 1.82 0.91 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.07 4.09 0.00 1.82 1.81 1.00 0.98 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 16 E 8.58 3.96 0.00 2.21 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 2.57 0.00 17 K 7.92 3.93 0.00 1.89 1.87 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.48 7.81 18 F 8.21 4.26 0.00 3.21 3.22 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 19 D 8.48 4.20 0.00 2.89 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 20 Q 8.19 3.91 0.00 2.12 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 21 I 7.72 3.67 1.92 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 1.59 0.69 0.91 0.00 0.00 22 I 7.57 3.87 1.69 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 1.39 0.54 -0.00 0.00 0.00 23 E 8.04 3.97 0.00 2.25 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 2.30 2.46 0.00 24 E 7.76 3.97 0.00 2.09 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 2.33 2.61 0.00 25 I 7.46 3.82 2.04 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.64 0.62 0.00 0.00 26 G 7.41 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 27 Y 7.64 4.27 0.00 3.11 2.75 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 28 E 9.47 4.24 0.00 2.10 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 2.34 2.27 0.00 29 N 7.64 4.91 0.00 2.88 2.87 0.00 0.00 6.30 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 30 R 8.54 3.96 0.00 1.88 2.12 0.00 3.15 0.00 0.00 3.42 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.74 0.00 31 S 8.05 4.07 0.00 3.98 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 32 E 8.64 3.94 0.00 2.18 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 0.00 2.40 2.61 0.00 33 A 6.89 3.00 0.70 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 0.00 0.00 34 I 7.90 3.72 1.85 0.00 0.00 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 1.30 0.87 0.89 0.00 0.00 35 R 8.21 3.90 0.00 1.97 2.21 0.00 3.13 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 36 D 8.19 4.43 0.00 3.02 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 L 8.07 4.11 0.00 1.85 1.74 1.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.11 3.76 2.05 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 1.36 0.83 0.95 0.00 0.00 39 R 8.20 3.91 0.00 1.91 2.09 0.00 3.12 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 40 D 8.21 4.34 0.00 2.84 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 41 F 8.23 4.07 0.00 3.28 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 42 I 7.80 3.64 2.02 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 1.60 0.96 0.89 0.00 0.00 43 I 7.63 3.55 1.75 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 1.41 1.12 0.49 0.00 0.00 44 R 7.36 2.56 0.00 1.31 1.58 0.00 3.08 0.00 0.00 3.19 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.71 0.00 45 H 7.09 4.52 0.00 2.76 3.04 0.00 5.60 0.00 0.00 0.00 0.00 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 7.36 4.51 0.00 1.98 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 2.18 2.27 0.00 47 W 7.81 4.48 0.00 3.38 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.72 4.43 0.00 1.95 1.87 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 2.29 2.40 0.00 49 V 9.87 4.28 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 0.78 0.00 0.00 0.94 0.00 0.00 50 G 9.82 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 N 8.29 4.93 0.00 2.69 2.73 0.00 0.00 6.84 7.65 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 52 E 8.21 4.33 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 2.39 2.34 0.00 53 E 8.54 4.78 0.00 1.84 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 2.28 2.28 0.00 54 V 9.28 4.78 2.17 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 0.70 0.00 0.00 0.98 0.00 0.00 55 A 8.85 5.03 1.20 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 0.00 0.00 56 G 9.39 4.67 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 0.00 0.00 0.00 57 T 8.76 5.32 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 1.21 0.00 0.00 58 I 8.93 4.89 1.88 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 1.22 0.63 0.92 0.00 0.00 59 T 8.83 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 1.23 0.00 0.00 60 I 9.01 5.29 2.02 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.46 0.96 0.00 0.00 61 V 8.62 4.97 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 0.97 0.00 0.00 0.94 0.00 0.00 62 Y 8.10 4.96 0.00 3.24 3.04 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 0.00 63 N 8.74 5.35 0.00 2.83 2.80 0.00 0.00 6.63 7.89 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 64 H 9.15 4.73 0.00 3.53 3.69 0.00 5.60 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.54 4.64 0.00 2.77 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.48 4.15 0.00 2.04 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 0.00 2.31 2.26 0.00 67 G 7.89 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 0.00 0.00 0.00 68 D 8.32 4.98 0.00 2.77 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 69 V 7.65 3.49 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 0.78 0.00 0.00 0.59 0.00 0.00 70 V 7.67 3.44 2.11 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 1.06 0.00 0.00 1.12 0.00 0.00 71 K 7.95 3.91 0.00 1.85 1.90 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.61 1.49 7.81 72 A 8.24 3.94 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 73 L 8.33 3.88 0.00 1.74 1.68 0.26 0.56 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 74 L 7.70 4.04 0.00 1.84 1.71 0.93 1.33 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 75 D 8.02 4.38 0.00 2.81 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.25 4.17 0.00 1.85 1.95 1.14 0.92 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 77 Q 8.33 4.15 0.00 2.35 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.63 0.00 0.00 0.00 0.00 0.00 2.43 2.63 0.00 78 H 8.64 4.37 0.00 3.17 3.36 0.00 5.65 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 7.78 4.05 0.00 1.63 1.45 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 2.21 2.61 0.00 80 Y 7.52 4.80 0.00 3.12 3.07 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 81 L 7.96 4.05 0.00 1.63 1.74 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 82 D 8.17 4.52 0.00 2.72 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 83 E 8.13 4.61 0.00 2.11 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 2.35 2.47 0.00 84 I 7.64 4.50 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.54 0.93 0.00 0.00 85 I 8.56 3.99 1.97 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 1.23 0.47 0.92 0.00 0.00 86 S 7.58 4.76 0.00 3.73 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 S 8.53 5.10 0.00 3.85 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 88 L 9.06 4.78 0.00 1.75 1.55 0.93 0.74 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 89 H 8.78 5.34 0.00 3.17 3.05 0.00 5.74 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 90 V 8.64 4.29 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 0.98 0.00 0.00 0.90 0.00 0.00 91 H 8.73 4.82 0.00 3.21 3.24 0.00 5.75 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 M 8.76 4.20 0.00 2.00 2.21 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 2.58 2.70 0.00 93 D 7.60 4.59 0.00 2.85 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 94 E 8.88 3.68 0.00 1.87 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 1.94 2.26 0.00 95 H 8.23 4.85 0.00 2.94 3.41 0.00 5.66 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 N 9.55 5.28 0.00 2.70 2.67 0.00 0.00 6.69 5.26 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 97 C 8.98 5.20 0.00 1.76 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 0.00 0.00 0.00 0.00 98 L 8.43 5.05 0.00 1.60 1.39 0.90 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 99 E 9.41 5.17 0.00 2.05 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 2.27 2.42 0.00 100 V 8.98 4.84 2.09 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 0.97 0.00 0.00 0.93 0.00 0.00 101 I 8.96 4.79 1.89 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 1.15 0.47 0.93 0.00 0.00 102 V 8.65 4.65 2.09 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 1.01 0.00 0.00 0.94 0.00 0.00 103 V 8.85 5.24 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 0.77 0.00 0.00 0.94 0.00 0.00 104 K 8.99 4.93 0.00 1.77 1.84 0.00 1.46 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.40 7.81 105 G 8.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 E 8.20 4.53 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 2.40 2.37 0.00 107 A 8.75 3.94 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 0.00 108 K 8.02 3.80 0.00 1.87 1.82 0.00 1.61 0.00 0.00 1.92 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.56 7.81 109 K 7.95 3.98 0.00 1.86 1.76 0.00 1.82 0.00 0.00 1.96 0.00 0.00 3.30 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.42 1.52 7.81 110 I 7.88 3.58 1.97 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 1.60 0.72 0.88 0.00 0.00 111 K 8.12 3.85 0.00 1.96 1.95 0.00 1.51 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.67 7.81 112 M 7.82 3.98 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.71 0.00 113 I 7.83 3.38 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 0.08 0.05 0.68 0.00 0.00 114 A 8.26 3.97 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 0.00 115 D 8.27 4.36 0.00 2.87 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 K 7.71 4.04 0.00 1.91 1.90 0.00 1.78 0.00 0.00 1.80 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.65 7.81 117 L 7.92 4.13 0.00 1.87 1.72 0.92 0.70 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 0.00 118 L 8.30 4.19 0.00 1.65 1.78 0.95 0.86 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 0.00 119 S 7.44 4.64 0.00 4.00 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 0.00 120 L 7.38 4.10 0.00 1.85 1.59 0.89 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.38 4.18 0.00 1.70 1.70 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.43 7.81 122 G 8.97 4.43 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 0.00 123 V 7.31 3.97 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 0.86 0.00 0.00 0.98 0.00 0.00 124 K 8.82 4.17 0.00 1.99 1.90 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.45 7.81 125 H 7.24 4.65 0.00 3.14 3.11 0.00 5.75 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 0.00 126 G 7.88 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 0.00 0.00 0.00 0.00 127 K 8.34 4.82 0.00 1.65 1.65 0.00 1.69 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.28 1.54 7.81 128 L 8.49 5.03 0.00 1.62 1.54 0.96 0.84 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 0.00 129 V 8.66 4.40 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 0.94 0.00 0.00 130 M 8.70 5.11 0.00 1.90 1.93 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 2.49 2.48 0.00 131 T 8.48 4.62 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 1.26 0.00 0.00 132 S 8.46 5.04 0.00 3.92 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 0.00 133 T 8.89 4.11 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 0.00 134 G 7.82 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 K 8.33 4.30 0.00 1.74 1.73 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.41 7.81 136 E 8.66 3.80 0.00 1.91 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 2.28 2.32 0.00 *137 L 8.24 4.15 0.00 1.45 1.47 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.