NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.5746 8.3644 120.3167 52.9616 40.7582 174.0752 4 V 4.0569 8.1192 120.2306 61.9268 32.3585 173.4957 5 A 4.9242 9.7342 129.9948 49.8108 22.9846 174.8086 6 I 4.2017 8.3001 120.9651 61.7418 37.2769 176.2638 7 V 3.9637 8.9425 127.7509 64.9145 32.4473 176.1664 8 K 4.5845 7.6170 119.5370 55.1485 35.3290 174.1926 9 E 5.3208 9.0334 123.4505 54.2273 33.1885 174.5950 10 G 4.0385 7.4795 108.0592 45.9857 0.0000 171.1378 11 W 5.1380 8.5913 119.9795 56.3731 29.9610 176.4327 12 L 4.9769 9.4190 123.3812 53.2301 45.8402 175.2691 13 H 5.2993 9.0885 119.2457 55.1273 30.1510 174.1210 14 K 4.8168 9.4132 125.9885 54.5162 34.3572 175.0323 15 R 3.7330 8.0298 128.6753 55.1409 30.5284 176.4223 16 G 3.6085 8.7390 113.9330 46.5650 0.0000 174.5109 17 E 3.9489 8.7137 121.9963 58.8412 29.9691 177.6656 18 Y 4.0236 7.8166 118.0922 59.3844 39.5095 175.4236 19 I 4.1617 7.5650 125.5820 59.9508 37.0494 176.8420 20 K 4.5319 8.5197 125.8115 56.1794 31.7420 177.7176 21 T 4.3443 7.8533 109.6235 61.1654 70.7581 173.0639 22 W 5.2173 8.6961 122.1016 55.3584 30.8501 176.0137 23 R 5.0060 9.1041 123.3559 53.4776 33.8998 172.9936 24 P 5.1764 0.0000 0.0000 63.1283 32.3799 175.8360 25 R 5.1378 9.7729 121.9760 54.7898 34.9625 173.5131 26 Y 4.2244 8.9345 125.1610 56.4513 39.8810 174.0543 27 F 4.9256 8.5627 126.2003 55.5492 42.1536 174.7967 28 L 5.2930 8.8709 122.3070 52.9609 44.9203 175.0226 29 L 5.3700 9.3871 126.6722 53.6581 43.9716 175.3868 30 K 5.1998 9.0308 125.7634 54.5195 35.2807 176.7621 31 N 4.6631 8.8809 118.9563 53.8234 37.5623 175.4598 32 D 4.5369 7.9854 117.8364 53.7171 40.0910 177.1583 33 G 3.9875 8.3727 109.8982 45.2056 0.0000 173.6786 34 T 4.1771 8.3881 117.8962 63.8839 69.7891 173.0456 35 F 5.5405 9.0361 128.3631 56.4392 42.3168 173.4127 36 I 4.7110 8.7295 120.1891 58.8127 40.6209 174.6726 37 G 2.8387 8.1301 112.3212 43.8924 0.0000 171.1897 38 Y 4.9868 8.3998 120.6496 55.4904 41.4471 176.9761 39 K 4.1003 9.0059 122.7554 58.8156 32.6936 176.6191 40 E 4.9645 7.8055 116.6248 53.4816 32.8283 174.4806 41 R 2.8088 8.5881 123.2518 55.5503 29.9628 174.6023 42 P 3.9986 0.0000 0.0000 62.7625 31.7726 176.1975 *48 R 4.1286 8.2544 116.3076 54.3876 31.7955 172.3936 49 E 3.8581 8.4175 123.3946 55.3243 28.2639 174.0130 50 A 4.1050 8.6342 126.6301 51.7649 18.9391 175.2675 51 P 4.0293 0.0000 0.0000 62.4470 32.0935 176.5083 52 L 4.2651 8.0546 119.7340 56.7716 42.3833 177.1354 53 N 5.1214 7.4675 114.8344 51.6219 43.1292 173.7975 54 N 4.9590 8.9576 119.4672 53.5249 40.6805 173.1398 55 F 5.1299 8.6767 121.0175 55.5129 41.8010 173.7557 56 S 4.8648 8.8950 115.4466 58.3338 63.1863 174.4098 57 V 4.1155 8.7102 119.2452 61.0440 31.9271 175.8743 58 A 4.0162 7.3328 121.9664 54.1335 18.3273 177.5011 59 Q 3.5659 8.7838 119.7708 56.9082 26.3765 174.0702 60 C 4.9653 7.8792 115.3258 55.9121 39.6617 172.6358 61 Q 4.8218 9.1495 121.4997 54.4540 31.4339 174.0026 62 L 5.3141 8.5005 124.9554 53.5574 43.7484 175.6762 63 M 4.9751 9.2338 122.3266 53.4724 35.9346 174.6253 64 K 5.2514 8.6834 120.3384 55.2149 35.3210 175.2115 65 T 4.7785 8.8816 117.0654 61.0511 71.4086 173.7124 66 E 4.8711 8.9335 121.5679 55.9438 30.8780 176.3673 67 R 4.7670 7.5926 116.4793 53.5976 33.6943 173.8979 68 P 4.4362 0.0000 0.0000 64.2653 31.8952 176.3227 69 R 4.4655 7.5369 118.0755 53.3155 32.1877 174.0838 70 P 4.5710 0.0000 0.0000 63.7565 32.1047 175.1989 71 N 4.3245 9.1083 114.9623 54.9323 36.6016 174.2017 72 T 5.1040 7.7137 113.7413 62.6389 70.6119 174.5021 73 F 5.6659 9.1411 119.5766 55.2383 41.9308 173.5918 74 I 5.0390 9.1471 120.9893 59.7584 40.7668 174.3776 75 I 4.8364 9.0226 128.1289 59.9944 39.0872 174.5367 76 R 5.0228 9.2574 128.2423 54.6402 32.8265 173.6351 77 C 5.2569 9.1803 123.5340 55.0689 43.6664 172.5898 78 L 4.7323 8.5715 126.4080 53.7665 43.0883 176.1948 79 Q 4.0669 8.8467 125.7285 54.7379 32.4330 177.4708 80 W 3.7923 8.7707 128.6782 57.8108 26.2848 175.8148 81 T 4.4803 9.4826 118.4966 62.2711 70.5548 174.9752 82 T 4.4356 8.0558 114.4774 60.1098 70.0825 173.6716 83 V 4.6014 8.2494 126.0024 60.5336 32.9948 175.3097 84 I 4.3013 8.5523 126.5923 60.1887 38.7537 174.6407 85 E 5.0940 8.5962 125.1385 54.5505 33.0183 175.3914 86 R 4.3368 8.9402 122.1991 54.5646 33.8891 174.3429 87 T 4.8003 7.7329 119.9461 61.6176 71.5272 173.2132 88 F 5.3696 8.8885 123.9298 55.9471 43.6569 173.2943 89 H 5.4183 9.7539 121.0038 54.7109 33.2748 172.4982 90 V 4.8900 8.0451 116.3040 59.6067 35.3108 175.7060 91 E 4.1750 8.9888 120.6048 58.4829 29.9910 177.7127 92 T 4.8041 7.4261 109.1059 58.3589 73.3483 173.0532 93 P 4.4069 0.0000 0.0000 65.8923 31.3718 178.6316 94 E 3.9424 8.1380 118.1334 59.2870 29.5090 178.7157 95 E 4.2374 7.7430 118.5553 58.9410 29.5458 179.5022 96 R 3.9799 8.1006 118.5672 59.4820 30.1043 178.0811 97 E 3.9823 8.2915 120.4841 58.6109 29.5140 178.5852 98 E 3.8084 8.0725 118.6675 59.1959 29.4561 179.4926 99 W 4.0227 7.9275 118.9534 59.8885 28.7212 178.8685 100 T 3.6486 7.9991 110.1976 64.8560 68.0813 176.7816 101 T 3.7783 8.0682 118.5466 66.2349 68.4559 176.3897 102 A 3.8667 7.7326 122.4911 55.2322 18.3344 179.7943 103 I 3.5117 7.7911 118.3998 64.5316 37.1225 178.4909 104 Q 3.8999 8.3092 120.7866 59.3703 28.8349 178.2142 105 T 3.8054 8.1465 114.4517 65.0239 67.3538 176.3590 106 V 3.5272 7.7953 119.9993 65.9461 31.5132 177.8349 107 A 3.9901 8.2309 120.8244 55.3832 18.1904 179.4014 108 D 4.3910 8.6497 117.9777 57.2104 40.8979 179.1653 109 G 3.6215 8.2184 106.4169 47.9359 0.0000 175.8196 110 L 4.0626 7.9442 121.6120 57.1394 41.5683 179.4950 111 K 3.9174 8.3536 120.2338 59.1220 32.1245 178.7483 112 K 3.8598 8.1723 120.0447 59.5767 31.9157 178.4007 113 Q 3.9497 7.7144 118.2868 59.1841 29.2441 177.6552 114 E 4.0499 8.3166 120.2261 59.4681 29.7916 178.6701 115 E 3.9441 8.3180 118.5918 59.4467 29.2797 179.1609 116 E 4.0836 8.1537 117.3878 58.5611 29.4910 178.3238 117 E 4.3397 7.8356 117.7255 58.3673 30.3420 177.7560 118 M 4.2219 7.7431 117.0127 56.6501 32.8186 176.9445 119 D 3.9478 7.3208 118.3862 55.0577 41.4853 176.4278 120 F 4.4566 8.2739 121.4469 58.2494 39.1247 175.1547 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 3 D 8.36 4.57 0.00 2.81 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 4 V 8.12 4.06 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 0.77 0.00 0.00 1.01 0.00 0.00 5 A 9.73 4.92 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 6 I 8.30 4.20 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 1.28 0.61 0.97 0.00 0.00 7 V 8.94 3.96 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.91 0.00 0.00 8 K 7.62 4.58 0.00 1.51 1.20 0.00 0.98 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.87 7.81 9 E 9.03 5.32 0.00 1.99 1.92 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 2.20 2.40 0.00 10 G 7.48 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 0.00 0.00 0.00 0.00 11 W 8.59 5.14 0.00 3.32 3.21 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 12 L 9.42 4.98 0.00 1.55 1.54 -0.44 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 13 H 9.09 5.30 0.00 3.45 3.53 0.00 5.58 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 9.41 4.82 0.00 1.98 1.75 0.00 1.91 0.00 0.00 1.70 0.00 0.00 2.49 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.09 0.79 7.81 15 R 8.03 3.73 0.00 0.67 0.92 0.00 2.48 0.00 0.00 2.75 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.50 0.00 16 G 8.74 3.61 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 0.00 0.00 0.00 17 E 8.71 3.95 0.00 1.90 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 2.21 2.24 0.00 18 Y 7.82 4.02 0.00 2.86 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 19 I 7.57 4.16 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.74 0.91 0.00 0.00 20 K 8.52 4.53 0.00 1.61 1.63 0.00 1.66 0.00 0.00 0.61 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.24 1.20 7.81 21 T 7.85 4.34 4.28 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 1.22 0.00 0.00 22 W 8.70 5.22 0.00 3.15 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 23 R 9.10 5.01 0.00 1.76 1.88 0.00 3.35 0.00 0.00 3.30 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 24 P 0.00 5.18 0.00 2.08 2.07 0.00 3.83 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 2.06 2.00 0.00 25 R 9.77 5.14 0.00 2.16 1.90 0.00 3.34 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.99 0.00 26 Y 8.93 4.22 0.00 1.48 2.43 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 27 F 8.56 4.93 0.00 2.55 2.36 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 28 L 8.87 5.29 0.00 1.68 1.65 1.17 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 29 L 9.39 5.37 0.00 2.17 1.89 0.85 0.35 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 30 K 9.03 5.20 0.00 1.91 1.70 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.43 7.81 31 N 8.88 4.66 0.00 2.81 2.92 0.00 0.00 6.92 7.67 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 32 D 7.99 4.54 0.00 2.82 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 33 G 8.37 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 34 T 8.39 4.18 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 1.23 0.00 0.00 35 F 9.04 5.54 0.00 2.75 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 0.00 0.00 0.00 0.00 36 I 8.73 4.71 1.49 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 1.15 1.16 0.81 0.00 0.00 37 G 8.13 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 0.00 0.00 0.00 38 Y 8.40 4.99 0.00 2.87 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 39 K 9.01 4.10 0.00 1.80 1.94 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.55 7.81 40 E 7.81 4.96 0.00 1.99 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 2.38 2.29 0.00 41 R 8.59 2.81 0.00 1.42 1.56 0.00 3.10 0.00 0.00 3.06 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.50 0.00 42 P 0.00 4.00 0.00 1.81 1.09 0.00 3.20 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.39 0.00 *48 R 8.25 4.13 0.00 1.89 2.12 0.00 3.33 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.67 0.00 49 E 8.42 3.86 0.00 2.17 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 0.00 2.19 2.27 0.00 50 A 8.63 4.11 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 51 P 0.00 4.03 0.00 1.91 1.05 0.00 3.71 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.78 0.00 52 L 8.05 4.27 0.00 1.47 1.74 0.96 0.78 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 53 N 7.47 5.12 0.00 2.61 3.01 0.00 0.00 6.60 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 54 N 8.96 4.96 0.00 2.57 2.70 0.00 0.00 6.84 7.02 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 55 F 8.68 5.13 0.00 3.26 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 56 S 8.89 4.86 0.00 3.94 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 8.71 4.12 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 0.59 0.00 0.00 0.94 0.00 0.00 58 A 7.33 4.02 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 59 Q 8.78 3.57 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.83 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 60 C 7.88 4.97 0.00 3.01 3.21 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 61 Q 9.15 4.82 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.79 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 62 L 8.50 5.31 0.00 1.58 1.62 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 63 M 9.23 4.98 0.00 1.95 1.97 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 64 K 8.68 5.25 0.00 1.66 1.76 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.46 7.81 65 T 8.88 4.78 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 66 E 8.93 4.87 0.00 1.97 1.93 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 2.22 2.25 0.00 67 R 7.59 4.77 0.00 1.80 1.79 0.00 3.33 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 68 P 0.00 4.44 0.00 2.21 2.22 0.00 3.88 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.12 0.00 69 R 7.54 4.47 0.00 1.33 1.32 0.00 2.21 0.00 0.00 2.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.13 0.00 70 P 0.00 4.57 0.00 2.05 1.99 0.00 3.73 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 71 N 9.11 4.32 0.00 3.07 2.96 0.00 0.00 7.22 6.56 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 72 T 7.71 5.10 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 73 F 9.14 5.67 0.00 3.26 3.12 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 74 I 9.15 5.04 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 1.21 0.89 0.96 0.00 0.00 75 I 9.02 4.84 2.16 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.10 1.10 0.00 0.00 76 R 9.26 5.02 0.00 1.82 1.76 0.00 3.03 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 77 C 9.18 5.26 0.00 2.87 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 78 L 8.57 4.73 0.00 1.63 1.53 0.86 0.76 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 79 Q 8.85 4.07 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 5.35 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00 80 W 8.77 3.79 0.00 3.50 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 81 T 9.48 4.48 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 1.29 0.00 0.00 82 T 8.06 4.44 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 83 V 8.25 4.60 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 0.73 0.00 0.00 0.95 0.00 0.00 84 I 8.55 4.30 1.83 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 1.22 0.49 0.73 0.00 0.00 85 E 8.60 5.09 0.00 1.70 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.25 0.00 86 R 8.94 4.34 0.00 1.68 1.60 0.00 2.96 0.00 0.00 2.98 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.50 0.00 87 T 7.73 4.80 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 1.17 0.00 0.00 88 F 8.89 5.37 0.00 1.51 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 0.00 0.00 0.00 89 H 9.75 5.42 0.00 2.77 2.88 0.00 5.72 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 8.05 4.89 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 0.97 0.00 0.00 1.25 0.00 0.00 91 E 8.99 4.18 0.00 2.01 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 2.35 2.37 0.00 92 T 7.43 4.80 4.45 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 1.28 0.00 0.00 93 P 0.00 4.41 0.00 2.30 2.45 0.00 3.72 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 2.09 2.07 0.00 94 E 8.14 3.94 0.00 2.09 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 2.40 2.46 0.00 95 E 7.74 4.24 0.00 2.35 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.24 0.00 96 R 8.10 3.98 0.00 2.04 2.15 0.00 3.38 0.00 0.00 3.36 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 97 E 8.29 3.98 0.00 2.10 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 2.28 2.21 0.00 98 E 8.07 3.81 0.00 2.04 1.67 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 2.21 2.45 0.00 99 W 7.93 4.02 0.00 3.11 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 T 8.00 3.65 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 0.86 0.00 0.00 101 T 8.07 3.78 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 102 A 7.73 3.87 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 I 7.79 3.51 1.74 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.64 0.78 0.00 0.00 104 Q 8.31 3.90 0.00 2.19 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.54 0.00 105 T 8.15 3.81 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 106 V 7.80 3.53 2.15 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 0.99 0.00 0.00 0.96 0.00 0.00 107 A 8.23 3.99 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 0.00 108 D 8.65 4.39 0.00 2.83 2.71 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 0.00 0.00 0.00 0.00 109 G 8.22 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.94 4.06 0.00 1.86 1.72 0.96 0.89 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 0.00 111 K 8.35 3.92 0.00 1.87 1.92 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.42 7.81 112 K 8.17 3.86 0.00 1.82 1.97 0.00 1.71 0.00 0.00 1.90 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.59 7.81 113 Q 7.71 3.95 0.00 2.11 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.72 0.00 0.00 0.00 0.00 0.00 2.47 2.38 0.00 114 E 8.32 4.05 0.00 2.05 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 2.26 2.32 0.00 115 E 8.32 3.94 0.00 2.16 1.93 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 2.27 2.38 0.00 116 E 8.15 4.08 0.00 2.11 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 2.35 2.52 0.00 117 E 7.84 4.34 0.00 2.08 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 2.28 2.38 0.00 118 M 7.74 4.22 0.00 1.92 2.03 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 2.52 2.66 0.00 119 D 7.32 3.95 0.00 2.63 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 0.00 0.00 0.00 120 F 8.27 4.46 0.00 3.20 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.