NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.5031 8.1727 120.0940 56.2626 34.6107 173.7035 3 K 4.8460 9.5461 125.1665 54.4892 34.2526 173.2107 4 I 4.8722 8.8731 128.9747 59.4712 40.3156 173.7638 5 L 4.9178 8.4755 129.1955 53.6434 43.9985 174.9110 6 I 4.4806 8.5086 127.9267 59.7362 39.1962 175.0303 7 V 4.4285 8.3934 129.0591 61.5427 32.2210 174.5091 8 D 4.7237 8.4964 127.9473 53.1403 44.6695 175.2643 9 D 4.9512 9.0252 124.3235 53.8280 40.3542 176.2110 10 E 4.6041 8.1893 121.1609 54.6770 31.0031 176.2634 11 K 4.1922 8.7468 125.9405 59.1408 32.3116 176.6993 12 P 4.2712 0.0000 0.0000 65.6963 31.2946 178.6762 13 I 3.8279 7.7346 118.0788 64.2498 37.1068 177.9482 14 S 4.1073 8.3959 114.3458 61.8531 62.1242 176.1406 15 D 4.4532 8.4892 121.4332 57.3746 40.5262 178.9354 16 I 3.8383 7.7526 119.9660 64.5011 37.1427 178.5654 17 I 3.8016 8.0779 120.7029 64.1241 36.8489 178.3066 18 K 3.8866 8.3848 120.7412 59.6271 32.2009 178.4096 19 F 4.1805 8.6933 121.2069 61.6034 39.1361 176.8490 20 N 4.2326 8.4092 115.9165 56.4110 38.4290 177.4746 21 M 4.2927 8.5857 120.6119 58.5919 31.9139 178.9574 22 T 4.0466 8.2962 116.4287 66.6524 68.4109 176.8503 23 K 3.7877 7.4323 118.8528 59.1977 32.0850 178.4545 24 E 4.1959 7.7471 116.3236 56.7549 29.5792 177.5700 25 G 3.7991 7.9611 107.8260 45.2732 0.0000 173.1461 26 Y 4.5562 7.3723 116.5938 57.0892 39.0966 174.9439 27 E 4.2743 9.1067 124.2638 55.9640 31.0924 175.2894 28 V 4.8553 8.4406 126.3983 61.2640 33.6653 174.8925 29 V 4.7213 8.7809 120.9740 59.7360 34.8497 174.7442 30 T 5.0744 8.3948 112.1657 60.1619 72.0233 172.8533 31 A 4.6752 8.1296 122.7336 50.8873 22.8205 176.8839 32 F 4.9628 9.6482 117.9389 56.2246 40.3980 175.0790 33 N 4.9540 7.6057 118.3264 50.9259 41.1363 175.2251 34 G 3.6533 8.4924 107.7705 47.1352 0.0000 175.8982 35 R 3.8867 8.0023 120.4617 59.4796 30.2405 178.1163 36 E 3.9862 8.7838 118.3975 59.4234 29.3847 179.2638 37 A 3.9893 8.1889 120.6347 55.3719 18.6006 179.7696 38 L 4.1490 7.8873 117.1127 57.9104 41.6384 179.7340 39 E 4.0200 8.3152 118.7191 59.4689 29.4480 179.3945 40 Q 3.9877 8.4498 118.4377 58.7204 28.8861 178.1203 41 F 4.2266 8.5819 122.2120 61.7456 39.1447 177.2386 42 E 3.4124 7.7328 115.7845 59.1100 29.3342 178.9089 43 A 4.0816 7.8092 119.7906 54.5196 18.6513 178.6958 44 E 4.2513 8.5062 115.0336 55.3391 31.6965 176.2262 45 Q 3.1806 7.5926 116.7263 56.0590 26.5950 171.9746 46 P 4.5023 0.0000 0.0000 62.7306 32.5788 177.1703 47 D 4.6009 8.4979 119.8897 57.2032 41.4272 176.5649 48 I 4.7675 7.5456 116.5570 59.5925 42.0877 173.4836 49 I 4.9479 8.5114 127.4254 59.5751 40.5016 174.4023 50 I 4.5633 8.2776 128.1355 60.0083 38.7382 173.9022 51 L 4.7916 8.3366 132.3723 53.8809 45.1919 176.3344 *53 L 4.1167 8.5974 115.1994 54.5170 43.7906 176.6977 54 M 4.7735 7.9532 117.0345 53.3682 33.1786 174.8023 55 L 4.9869 8.0944 122.7508 52.0862 45.7243 174.9882 56 P 4.3398 0.0000 0.0000 65.9738 31.1321 177.5892 57 E 4.2441 7.7844 116.6108 57.2558 30.0698 176.1942 58 I 4.4873 7.2142 111.3514 58.6383 40.1240 175.2063 59 D 4.6112 8.4557 123.6316 52.7004 41.6032 177.3521 60 G 3.7290 8.4342 106.6446 48.1730 0.0000 175.8931 61 L 3.9633 7.8715 120.4798 57.5411 41.7601 179.0032 62 E 3.8852 9.8921 119.9551 59.2408 29.5430 178.9048 63 V 3.5123 8.0639 118.3332 66.0624 31.5542 177.9285 64 A 3.8426 7.9883 120.4383 54.6284 17.9954 179.1744 65 K 3.7159 7.9020 117.7747 60.2035 32.3761 178.7060 66 T 4.0454 7.9018 109.6822 64.5308 68.8005 176.3991 67 I 3.4028 7.6819 122.8001 64.4929 36.9414 178.5534 68 R 4.2028 7.5628 117.9839 58.2109 29.8210 178.6431 69 K 4.0223 7.4528 118.5003 59.1407 32.2202 177.5670 70 T 4.5686 7.9109 105.5258 61.3018 70.4439 174.0502 71 S 4.7123 7.7403 116.2351 56.7897 65.5353 173.5139 72 S 4.6956 8.6232 120.1589 57.8805 63.1286 174.2449 73 V 3.8150 7.4678 121.0119 61.8333 31.5427 174.3013 74 P 4.5673 0.0000 0.0000 63.3795 32.4229 174.8987 75 I 4.8855 8.8119 123.6816 59.3353 40.3701 174.0901 76 L 4.8286 8.9469 129.9496 53.3984 43.8195 174.8386 77 M 4.5688 8.9241 128.0551 55.0450 33.5979 174.8078 78 L 5.0470 7.8107 125.1484 53.0260 44.7906 175.8990 79 S 4.5751 8.5952 115.9074 57.1480 65.7113 175.6014 80 A 4.3378 8.8944 128.7264 54.9398 18.4936 178.5051 81 K 4.2857 7.9921 116.4227 56.6928 32.3346 176.5614 82 D 4.9426 8.6612 122.4895 52.4091 40.3580 176.2430 83 S 4.5785 7.9977 115.0864 57.6487 65.6832 174.1633 84 E 3.7967 8.6300 122.5604 59.7131 29.2577 178.7946 85 F 4.0030 8.1895 119.8766 61.2204 39.3911 176.7228 86 D 4.2343 7.6546 118.0242 57.2217 40.5975 178.9058 87 K 2.6362 7.4569 118.8893 58.9904 31.9327 179.6963 88 V 3.4259 7.6708 118.7262 65.9316 31.3805 177.9555 89 I 3.5851 7.3989 118.5940 63.5978 37.8337 177.9187 90 G 3.7853 8.1772 106.8254 48.0449 0.0000 175.5492 91 L 4.2999 8.0077 123.5479 56.9511 41.4196 179.5993 92 E 4.0719 8.1529 117.4240 58.7718 29.5001 178.3317 93 L 4.3536 7.7531 116.8201 54.5893 41.8884 176.8456 94 G 3.7878 7.8934 106.6777 45.1613 0.0000 174.8043 95 A 3.9654 7.9436 123.6681 53.2378 18.6915 178.0412 96 D 4.6153 8.6629 121.8470 56.5658 41.7225 175.9618 97 D 4.5964 7.6814 115.7882 53.7253 44.8781 173.9171 98 Y 5.0064 8.5077 123.4448 56.4438 41.3651 173.9735 99 V 4.7052 9.1299 127.6998 61.3157 34.5141 174.5095 100 T 5.2819 8.6020 116.2947 60.5496 70.9829 173.7143 101 K 4.9382 8.7553 123.4109 54.4181 33.6704 175.0035 102 P 4.4500 0.0000 0.0000 62.1068 32.4004 174.9642 103 F 4.9611 7.4134 113.7408 54.7589 40.9148 174.7715 104 S 4.6045 8.5060 114.8222 57.0593 63.7534 173.6524 105 N 4.5811 9.0262 127.1033 57.0641 38.4619 177.4976 106 R 4.0032 8.0812 118.5199 59.1714 30.0903 178.6589 107 E 3.9350 8.1133 119.2338 59.0173 29.5906 178.3286 108 L 3.8214 8.0723 120.4570 58.5007 42.0787 178.9966 109 Q 3.9887 8.1886 117.4049 59.0282 28.6827 178.8412 110 A 4.0436 8.1968 121.7117 55.2099 18.3065 179.9921 111 R 3.8775 8.2748 116.8492 59.1075 30.1581 179.0946 112 V 3.4684 7.9661 118.4803 66.1178 31.4014 177.8774 113 K 3.9485 8.1140 118.8524 59.5534 31.8336 178.5232 114 A 3.9893 8.1675 120.9215 55.1595 18.1042 179.5523 115 L 3.9380 7.9040 116.5672 58.0131 41.7439 179.5201 116 L 4.1586 7.7074 118.0190 57.4732 41.6660 178.8090 117 R 3.9544 8.2118 120.8647 59.9523 30.0355 177.0481 *118 R 4.3125 7.3895 117.7222 55.6306 31.3372 177.0616 119 S 4.5818 8.3206 115.3398 59.2771 62.7949 176.6915 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 K 8.17 4.50 0.00 1.99 1.99 0.00 1.69 0.00 0.00 2.00 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.48 1.50 7.81 3 K 9.55 4.85 0.00 1.84 1.67 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.50 7.81 4 I 8.87 4.87 1.74 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.36 0.71 0.00 0.00 5 L 8.48 4.92 0.00 1.78 1.52 0.95 1.02 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 6 I 8.51 4.48 1.74 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 1.00 0.59 0.79 0.00 0.00 7 V 8.39 4.43 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 0.66 0.00 0.00 0.85 0.00 0.00 8 D 8.50 4.72 0.00 2.67 2.35 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 9 D 9.03 4.95 0.00 2.91 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 10 E 8.19 4.60 0.00 2.13 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 11 K 8.75 4.19 0.00 1.87 1.83 0.00 1.82 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.63 7.81 12 P 0.00 4.27 0.00 2.22 2.10 0.00 3.62 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 13 I 7.73 3.83 1.95 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 1.57 0.97 1.15 0.00 0.00 14 S 8.40 4.11 0.00 3.88 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 0.00 15 D 8.49 4.45 0.00 2.95 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 16 I 7.75 3.84 2.09 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 1.54 0.80 1.10 0.00 0.00 17 I 8.08 3.80 1.89 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.79 0.83 0.00 0.00 18 K 8.38 3.89 0.00 1.94 2.10 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.50 7.81 19 F 8.69 4.18 0.00 3.19 3.34 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 20 N 8.41 4.23 0.00 3.03 2.91 0.00 0.00 7.06 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 M 8.59 4.29 0.00 2.03 2.13 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 2.47 2.82 0.00 22 T 8.30 4.05 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 1.19 0.00 0.00 23 K 7.43 3.79 0.00 1.62 1.67 0.00 0.61 0.00 0.00 1.36 0.00 0.00 2.89 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.05 0.72 7.81 24 E 7.75 4.20 0.00 2.14 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 2.45 2.57 0.00 25 G 7.96 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 0.00 0.00 0.00 26 Y 7.37 4.56 0.00 2.99 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 27 E 9.11 4.27 0.00 2.08 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 2.32 2.27 0.00 28 V 8.44 4.86 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 0.87 0.00 0.00 0.96 0.00 0.00 29 V 8.78 4.72 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 0.69 0.00 0.00 0.93 0.00 0.00 30 T 8.39 5.07 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 1.17 0.00 0.00 31 A 8.13 4.68 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 32 F 9.65 4.96 0.00 3.10 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 33 N 7.61 4.95 0.00 2.98 2.96 0.00 0.00 6.10 6.92 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 34 G 8.49 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 R 8.00 3.89 0.00 1.91 2.10 0.00 3.22 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 36 E 8.78 3.99 0.00 2.24 2.05 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 2.40 2.51 0.00 37 A 8.19 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 38 L 7.89 4.15 0.00 1.92 1.82 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.32 4.02 0.00 2.19 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 2.35 2.63 0.00 40 Q 8.45 3.99 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.73 0.00 0.00 0.00 0.00 0.00 2.56 2.68 0.00 41 F 8.58 4.23 0.00 3.10 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 42 E 7.73 3.41 0.00 1.93 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 2.18 2.09 0.00 43 A 7.81 4.08 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 44 E 8.51 4.25 0.00 2.03 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 2.26 2.47 0.00 45 Q 7.59 3.18 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.92 0.00 0.00 0.00 0.00 0.00 2.14 2.15 0.00 46 P 0.00 4.50 0.00 2.40 2.08 0.00 3.98 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.11 0.00 47 D 8.50 4.60 0.00 2.71 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 48 I 7.55 4.77 1.81 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.36 0.74 0.00 0.00 49 I 8.51 4.95 1.77 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 1.23 0.49 0.86 0.00 0.00 50 I 8.28 4.56 1.72 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.61 0.72 0.00 0.00 51 L 8.34 4.79 0.00 1.59 1.33 0.84 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 *53 L 8.60 4.12 0.00 1.69 1.66 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 54 M 7.95 4.77 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.48 0.00 55 L 8.09 4.99 0.00 1.72 1.51 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.34 0.00 2.07 2.14 0.00 3.80 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.16 0.00 57 E 7.78 4.24 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 2.31 2.39 0.00 58 I 7.21 4.49 1.87 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 1.43 0.95 0.92 0.00 0.00 59 D 8.46 4.61 0.00 3.14 2.87 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 60 G 8.43 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 0.00 0.00 0.00 61 L 7.87 3.96 0.00 1.95 1.72 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 62 E 9.89 3.89 0.00 2.17 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 2.31 2.36 0.00 63 V 8.06 3.51 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 0.85 0.00 0.00 1.02 0.00 0.00 64 A 7.99 3.84 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 65 K 7.90 3.72 0.00 1.86 2.03 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.45 7.81 66 T 7.90 4.05 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 1.28 0.00 0.00 67 I 7.68 3.40 1.73 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.29 0.37 0.00 0.00 68 R 7.56 4.20 0.00 1.98 1.97 0.00 3.29 0.00 0.00 3.24 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 69 K 7.45 4.02 0.00 1.93 1.92 0.00 1.66 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.64 7.81 70 T 7.91 4.57 4.31 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 1.27 0.00 0.00 71 S 7.74 4.71 0.00 4.15 3.89 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 72 S 8.62 4.70 0.00 4.01 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 7.47 3.81 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 0.64 0.00 0.00 1.11 0.00 0.00 74 P 0.00 4.57 0.00 2.09 2.21 0.00 3.74 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.00 0.00 75 I 8.81 4.89 1.79 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 0.99 0.77 0.81 0.00 0.00 76 L 8.95 4.83 0.00 1.55 1.40 0.81 0.55 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 77 M 8.92 4.57 0.00 1.70 1.76 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.04 0.00 78 L 7.81 5.05 0.00 1.36 1.39 0.70 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.60 4.58 0.00 3.71 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 80 A 8.89 4.34 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 81 K 7.99 4.29 0.00 1.97 2.09 0.00 1.74 0.00 0.00 2.04 0.00 0.00 3.08 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.55 1.46 7.81 82 D 8.66 4.94 0.00 2.76 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 83 S 8.00 4.58 0.00 4.10 4.06 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 84 E 8.63 3.80 0.00 2.04 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 2.40 2.36 0.00 85 F 8.19 4.00 0.00 3.19 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 86 D 7.65 4.23 0.00 2.95 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.46 2.64 0.00 1.61 1.44 0.00 1.47 0.00 0.00 1.38 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.30 0.82 7.81 88 V 7.67 3.43 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 0.96 0.00 0.00 0.89 0.00 0.00 89 I 7.40 3.59 1.13 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 1.31 1.21 0.68 0.00 0.00 90 G 8.18 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.01 4.30 0.00 1.78 1.71 0.90 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.15 4.07 0.00 1.87 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.42 0.00 93 L 7.75 4.35 0.00 1.71 1.66 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 94 G 7.89 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 7.94 3.97 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 96 D 8.66 4.62 0.00 2.70 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 97 D 7.68 4.60 0.00 2.66 2.41 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 98 Y 8.51 5.01 0.00 2.96 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 99 V 9.13 4.71 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 0.97 0.00 0.00 0.89 0.00 0.00 100 T 8.60 5.28 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 1.42 0.00 0.00 101 K 8.76 4.94 0.00 1.69 1.85 0.00 1.87 0.00 0.00 1.87 0.00 0.00 3.14 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.68 1.35 7.81 102 P 0.00 4.45 0.00 2.02 1.94 0.00 3.72 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 103 F 7.41 4.96 0.00 3.10 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 0.00 104 S 8.51 4.60 0.00 3.97 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 0.00 105 N 9.03 4.58 0.00 2.91 3.02 0.00 0.00 7.15 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 0.00 106 R 8.08 4.00 0.00 1.90 2.02 0.00 3.16 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.73 0.00 107 E 8.11 3.94 0.00 2.03 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 0.00 2.33 2.34 0.00 108 L 8.07 3.82 0.00 1.83 1.68 0.25 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 109 Q 8.19 3.99 0.00 2.36 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.45 2.60 0.00 110 A 8.20 4.04 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 0.00 111 R 8.27 3.88 0.00 2.04 1.94 0.00 3.14 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 112 V 7.97 3.47 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 0.66 0.00 0.00 0.78 0.00 0.00 113 K 8.11 3.95 0.00 1.96 1.99 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.51 7.81 114 A 8.17 3.99 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 0.00 115 L 7.90 3.94 0.00 1.76 1.72 0.87 1.21 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 0.00 116 L 7.71 4.16 0.00 1.68 1.77 1.05 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 117 R 8.21 3.95 0.00 2.04 2.08 0.00 3.30 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 *118 R 7.39 4.31 0.00 1.57 1.73 0.00 3.39 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 119 S 8.32 4.58 0.00 3.93 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.