NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 31 P 4.1569 0.0000 0.0000 61.9420 32.8486 175.8495 32 A 3.9689 8.5667 127.0492 53.9521 18.3496 172.8027 33 V 4.3731 8.1634 114.2409 60.1386 35.3328 171.7997 34 P 4.3264 0.0000 0.0000 62.5139 31.2933 175.8476 35 A 4.2556 7.9362 123.0671 51.2192 21.6842 175.3667 36 V 4.5896 8.0136 114.6968 59.7132 34.4187 175.1408 37 F 4.8781 8.8961 121.7559 55.7958 41.3969 174.5852 38 L 5.3105 8.4778 122.7078 51.8957 44.0245 175.9740 *40 K 4.1605 8.5177 123.3786 56.2085 33.1652 175.6468 41 T 4.2294 9.1768 124.0017 63.3553 69.0466 175.2227 42 I 3.6222 8.5813 124.1488 64.1233 38.1366 176.6868 43 E 4.3055 8.2059 118.1645 56.1993 29.2904 177.7847 44 G 3.9950 8.2500 109.6912 45.0471 0.0000 174.1785 45 E 4.1189 7.8700 120.7014 56.4509 31.0784 175.3099 46 D 5.1940 8.6448 125.7372 53.7065 41.8433 175.8188 47 I 4.8302 8.4572 124.0990 59.4433 40.8071 174.6624 48 S 5.7604 8.4143 117.2963 55.9841 67.3524 173.2113 49 I 4.8676 8.2296 120.6665 59.3367 40.5167 173.3347 50 P 4.8615 0.0000 0.0000 62.1309 32.9196 175.2567 51 N 4.7842 8.4033 117.0640 50.7762 39.4552 175.5144 52 K 3.6014 9.0470 122.9945 58.5133 32.7228 176.7571 53 G 4.0436 8.8256 116.3125 45.5664 0.0000 172.0315 54 Q 4.6086 7.3190 115.2760 54.8169 32.3549 173.8834 55 K 4.5341 8.5393 125.7574 56.4081 34.1758 175.5665 56 T 5.2077 8.7860 121.4011 61.9161 72.3965 172.9434 57 I 4.9405 9.1733 127.7569 60.0569 38.9357 174.2721 58 L 5.1012 8.9540 130.3767 53.6029 44.0491 174.5482 59 H 5.4180 8.8215 125.6362 54.3889 33.0804 171.7590 60 F 5.3633 8.8315 124.2358 55.5548 41.7007 174.6243 61 W 4.9299 8.3063 119.2123 55.9722 31.8091 172.9515 62 T 4.6524 8.0689 109.7262 59.5309 70.9487 174.3260 63 S 3.6662 9.0006 117.6995 60.2828 63.1175 175.5356 64 W 4.4361 7.4100 116.4869 57.6566 28.8832 176.1898 65 C 3.6434 6.6743 119.6321 58.9366 31.4077 171.9021 66 P 4.2931 0.0000 0.0000 65.5677 30.9576 176.9530 67 P 4.2792 0.0000 0.0000 65.4796 31.2620 178.6338 68 C 4.2140 7.9345 115.3504 62.5357 27.9597 175.4713 69 K 3.9811 8.0881 120.5989 59.5902 31.9035 178.3626 70 K 4.2090 7.6409 115.7794 58.3826 32.6626 177.6043 71 E 4.2756 7.6786 119.1152 57.8695 29.8325 177.6269 72 L 3.9156 7.9171 119.4430 57.4628 41.5548 177.6037 73 P 4.3793 0.0000 0.0000 65.3171 31.2168 178.4185 74 Q 3.8885 8.0323 118.8784 59.1731 28.8929 178.2373 75 F 3.8789 8.1054 118.3916 60.0242 38.8500 177.4753 76 Q 4.3380 8.3013 119.4689 59.2942 28.9816 178.0408 77 S 4.1059 8.4055 114.4849 61.4785 62.3686 175.8273 78 F 4.1803 8.1588 123.1808 61.5894 38.8801 176.3945 79 Y 3.7552 8.0501 117.8559 60.7761 38.6588 177.4907 80 D 4.3687 8.3734 118.9979 57.1764 41.0024 178.2785 81 A 3.9879 7.9816 120.2183 52.6090 19.7632 176.7855 82 H 3.5861 7.2923 115.3259 56.6074 28.5104 172.4034 83 P 4.3426 0.0000 0.0000 64.7202 32.0411 177.3719 84 S 4.7283 7.4866 109.8003 56.5173 65.1925 172.9725 85 D 4.7154 8.6223 123.9889 54.8482 42.0160 177.2460 86 S 4.7621 7.9336 113.0881 57.8980 64.3495 173.6277 87 V 4.9362 7.6503 119.7815 61.2767 34.3967 174.1991 88 K 4.6428 9.5955 129.9341 54.5596 34.4661 174.3882 89 L 5.1894 8.8486 130.3408 54.3236 42.9829 175.8163 90 V 4.6306 8.9623 126.4564 60.1681 34.4441 174.6248 91 T 4.9757 8.6575 120.2561 61.6671 71.9020 173.2248 92 V 4.4156 9.0927 126.7822 60.9016 33.7566 173.8586 93 N 3.6613 8.9700 128.4058 52.6402 40.0360 175.0212 94 L 4.5226 8.0335 128.2601 53.0098 40.4333 177.6019 95 V 3.6753 7.5327 121.6615 63.9489 31.7747 178.7775 96 N 4.5337 8.0614 115.2045 54.6839 38.5865 175.3793 97 S 4.7868 8.0522 114.0112 58.1111 63.1172 173.4341 98 E 4.8880 7.8925 119.9158 54.1293 32.0440 175.9022 99 Q 4.0230 8.6106 121.4441 58.4133 29.2172 176.5064 100 N 4.6585 7.3560 111.5231 51.1497 39.8267 174.4115 101 Q 3.9875 8.5062 117.6988 59.3022 28.9594 177.7111 102 Q 3.9517 8.1403 120.4034 59.0219 29.0967 178.1155 103 V 3.6471 8.2717 119.3937 65.9686 31.4670 178.2167 104 V 3.6349 7.4703 117.0697 66.1093 31.4607 177.4240 105 E 3.9834 8.2983 118.5462 59.9474 29.3411 179.4058 106 D 4.3922 8.5919 118.7270 57.3062 40.8987 178.5749 107 F 4.0897 8.4972 121.1168 61.4802 39.4073 177.1774 108 I 3.6989 8.4020 119.6664 64.1989 36.9483 178.2984 109 K 3.8139 8.1035 120.0521 59.6371 31.8924 178.7336 110 A 3.9892 8.4000 119.8265 54.6381 18.3365 178.3215 111 N 4.4331 7.7783 112.1084 51.8198 39.2837 175.1093 112 K 3.7039 7.5965 118.8870 57.1136 30.3980 175.6494 113 L 4.0666 7.6205 118.1353 54.9281 41.8456 177.6238 114 T 4.2890 8.8452 120.2838 63.0378 70.4442 174.6359 115 F 2.9584 6.6136 115.7948 54.8673 38.9602 172.9883 116 P 4.8133 0.0000 0.0000 62.4321 32.3135 175.5119 117 I 5.1144 8.6762 125.0608 59.4826 40.3909 174.6299 118 V 4.6269 9.2231 127.6453 61.0018 34.1786 174.1460 119 L 4.5932 8.3468 127.2782 53.1543 42.2358 177.4615 120 D 4.6186 8.4956 127.0499 53.1710 39.7875 176.9245 121 S 4.1520 7.8700 118.1035 61.0756 63.5519 176.0474 122 K 4.2002 8.0561 116.7370 56.0163 32.4873 177.4104 123 G 4.0276 7.9027 106.1056 45.3110 0.0000 174.6717 124 E 4.1811 8.1215 121.4322 59.1703 29.9595 179.3698 125 L 4.0642 8.0645 115.1503 55.5478 41.2887 178.6896 *127 K 4.1339 8.1711 121.5319 56.4813 33.8930 177.5529 128 E 3.7883 8.6426 119.6618 58.8034 29.6139 177.3687 129 Y 4.1341 7.8675 113.4980 56.9279 38.4366 175.1008 130 H 3.9929 7.3501 115.6040 56.7938 26.7865 175.8111 131 I 3.9797 7.5161 118.8554 61.1640 37.4088 176.4112 132 I 4.4690 8.3497 125.0588 60.9864 39.4825 175.8503 133 T 4.7454 7.7384 115.6938 61.3710 71.7084 173.1221 134 I 4.7381 7.8860 116.8216 58.3515 40.8814 173.3471 135 P 4.8505 0.0000 0.0000 62.4384 32.9260 175.3190 136 T 5.0918 8.3720 117.8009 62.0885 72.8922 173.0292 137 S 5.3638 9.2904 121.4723 56.8338 67.1768 173.0967 138 F 5.4264 9.5054 121.5483 55.6599 43.1833 173.7793 139 L 4.8828 8.4115 124.3846 53.5532 43.5869 175.0610 140 L 5.3064 9.1385 127.0643 53.0606 44.8442 176.8161 141 N 5.0841 8.5217 120.0562 51.6580 39.1804 175.6268 142 E 4.1825 8.6674 116.5970 58.9044 29.4602 178.0779 143 K 4.2457 8.2317 116.2134 55.8822 32.5622 177.2569 144 G 3.9940 8.2950 107.3930 45.5896 0.0000 173.8316 145 E 4.1412 8.3819 119.7567 55.7112 30.1265 176.3009 146 I 4.4365 8.1597 123.6514 61.0352 37.4210 175.5062 147 E 4.3032 9.2414 126.5046 58.1153 30.3411 177.5464 148 K 4.6468 7.5919 117.0728 54.6792 36.4598 175.5384 149 T 5.0858 8.6290 119.3689 61.6519 72.0305 173.2510 150 K 4.5487 9.4055 127.1018 54.8307 35.2944 174.6452 151 I 4.5870 8.3889 128.8858 61.1426 38.4187 175.7510 152 G 3.7783 9.1306 113.4647 43.6927 0.0000 170.7538 153 P 4.7796 0.0000 0.0000 61.7821 32.1510 176.4031 *155 T 3.9290 8.0573 108.0458 61.5773 70.8823 174.3359 156 A 3.7100 8.2054 123.2898 55.2635 18.2130 179.9677 157 E 3.8345 7.8523 117.4430 59.4368 29.8445 178.7695 158 Q 3.7603 7.7207 118.0260 58.6333 28.4108 178.6938 159 L 3.2524 7.0758 119.2778 57.2992 41.7156 179.1202 160 K 4.2296 7.7565 119.5876 59.4761 32.1394 178.4341 161 E 4.3862 8.1711 121.0037 58.6394 29.3459 178.8131 162 W 4.5220 8.0110 117.8093 59.6957 29.0894 178.0380 163 T 4.2856 7.9111 115.1124 65.7087 68.2178 174.5011 164 E 4.2026 8.2595 125.1466 56.5631 29.6143 176.3503 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 31 P 0.00 4.16 0.00 1.84 1.35 0.00 3.59 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 1.78 1.79 0.00 32 A 8.57 3.97 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 33 V 8.16 4.37 2.14 0.00 0.00 0.00 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 0.90 0.00 0.00 34 P 0.00 4.33 0.00 2.03 1.95 0.00 3.72 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 35 A 7.94 4.26 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 V 8.01 4.59 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 0.71 0.00 0.00 0.90 0.00 0.00 37 F 8.90 4.88 0.00 3.03 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 38 L 8.48 5.31 0.00 1.53 1.59 0.93 1.00 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 *40 K 8.52 4.16 0.00 1.76 1.78 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.67 7.81 41 T 9.18 4.23 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 1.34 0.00 0.00 42 I 8.58 3.62 2.04 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 1.32 0.63 0.90 0.00 0.00 43 E 8.21 4.31 0.00 2.12 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 2.33 2.32 0.00 44 G 8.25 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.87 4.12 0.00 2.10 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 2.42 2.38 0.00 46 D 8.64 5.19 0.00 2.63 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 I 8.46 4.83 1.91 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 1.45 1.21 0.96 0.00 0.00 48 S 8.41 5.76 0.00 3.90 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 49 I 8.23 4.87 2.16 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 1.45 1.04 1.00 0.00 0.00 50 P 0.00 4.86 0.00 2.11 2.15 0.00 3.56 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 2.04 2.22 0.00 51 N 8.40 4.78 0.00 2.82 2.83 0.00 0.00 6.86 7.64 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 52 K 9.05 3.60 0.00 1.73 1.79 0.00 1.93 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.49 7.81 53 G 8.83 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 54 Q 7.32 4.61 0.00 2.21 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.93 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 55 K 8.54 4.53 0.00 2.10 1.69 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.60 1.41 7.81 56 T 8.79 5.21 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 1.34 0.00 0.00 57 I 9.17 4.94 2.13 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 1.41 0.87 1.22 0.00 0.00 58 L 8.95 5.10 0.00 1.78 1.69 0.70 -0.05 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 59 H 8.82 5.42 0.00 3.16 2.82 0.00 5.79 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 F 8.83 5.36 0.00 3.03 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 61 W 8.31 4.93 0.00 3.35 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 62 T 8.07 4.65 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 0.93 0.00 0.00 63 S 9.00 3.67 0.00 2.72 3.16 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 64 W 7.41 4.44 0.00 3.53 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 65 C 6.67 3.64 0.00 2.16 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 66 P 0.00 4.29 0.00 2.23 2.15 0.00 3.70 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 67 P 0.00 4.28 0.00 2.14 2.09 0.00 3.56 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 2.10 2.17 0.00 68 C 7.93 4.21 0.00 3.15 3.03 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 69 K 8.09 3.98 0.00 2.01 2.04 0.00 2.01 0.00 0.00 1.88 0.00 0.00 3.41 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.61 1.77 7.81 70 K 7.64 4.21 0.00 1.93 1.94 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.63 1.44 7.81 71 E 7.68 4.28 0.00 2.23 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 2.43 2.36 0.00 72 L 7.92 3.92 0.00 1.94 1.71 0.22 0.61 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 73 P 0.00 4.38 0.00 2.16 2.11 0.00 3.62 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 74 Q 8.03 3.89 0.00 2.25 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.82 0.00 0.00 0.00 0.00 0.00 2.18 2.26 0.00 75 F 8.11 3.88 0.00 2.61 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 0.00 0.00 0.00 0.00 76 Q 8.30 4.34 0.00 2.50 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.78 0.00 0.00 0.00 0.00 0.00 2.45 2.68 0.00 77 S 8.41 4.11 0.00 3.93 4.08 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 78 F 8.16 4.18 0.00 2.95 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 79 Y 8.05 3.76 0.00 3.10 3.32 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 80 D 8.37 4.37 0.00 2.91 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 81 A 7.98 3.99 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 82 H 7.29 3.59 0.00 2.88 3.13 0.00 5.96 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 83 P 0.00 4.34 0.00 2.15 2.14 0.00 3.18 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.09 0.00 84 S 7.49 4.73 0.00 3.80 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 85 D 8.62 4.72 0.00 2.70 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 86 S 7.93 4.76 0.00 3.95 4.09 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 0.00 0.00 0.00 0.00 87 V 7.65 4.94 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 0.97 0.00 0.00 1.01 0.00 0.00 88 K 9.60 4.64 0.00 1.94 1.72 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.57 7.81 89 L 8.85 5.19 0.00 2.06 1.86 1.31 1.15 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 90 V 8.96 4.63 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 0.75 0.00 0.00 0.89 0.00 0.00 91 T 8.66 4.98 4.83 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 1.86 0.00 0.00 92 V 9.09 4.42 0.96 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 0.77 0.00 0.00 0.32 0.00 0.00 93 N 8.97 3.66 0.00 1.84 2.25 0.00 0.00 6.80 6.67 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 94 L 8.03 4.52 0.00 1.61 1.55 0.89 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 95 V 7.53 3.68 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 0.81 0.00 0.00 0.89 0.00 0.00 96 N 8.06 4.53 0.00 2.74 2.91 0.00 0.00 6.81 7.57 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 97 S 8.05 4.79 0.00 4.08 4.16 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 98 E 7.89 4.89 0.00 2.08 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 2.39 2.37 0.00 99 Q 8.61 4.02 0.00 1.98 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.71 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 100 N 7.36 4.66 0.00 2.93 2.89 0.00 0.00 5.74 7.44 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 0.00 101 Q 8.51 3.99 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.94 0.00 0.00 0.00 0.00 0.00 2.53 2.40 0.00 102 Q 8.14 3.95 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.66 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 103 V 8.27 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 1.01 0.00 0.00 1.00 0.00 0.00 104 V 7.47 3.63 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 1.07 0.00 0.00 0.95 0.00 0.00 105 E 8.30 3.98 0.00 2.30 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 2.36 2.46 0.00 106 D 8.59 4.39 0.00 2.88 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 0.00 107 F 8.50 4.09 0.00 3.33 3.36 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 0.00 108 I 8.40 3.70 2.08 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 1.68 0.91 0.86 0.00 0.00 109 K 8.10 3.81 0.00 1.97 1.96 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.44 7.81 110 A 8.40 3.99 1.23 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 0.00 0.00 111 N 7.78 4.43 0.00 2.28 2.55 0.00 0.00 7.18 7.17 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 0.00 112 K 7.60 3.70 0.00 1.82 1.80 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.32 7.81 113 L 7.62 4.07 0.00 1.35 0.89 0.82 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 114 T 8.85 4.29 4.36 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 1.37 0.00 0.00 115 F 6.61 2.96 0.00 2.74 2.27 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 0.00 116 P 0.00 4.81 0.00 2.27 2.09 0.00 3.89 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.04 0.00 117 I 8.68 5.11 1.94 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 1.47 0.86 1.11 0.00 0.00 118 V 9.22 4.63 2.14 0.00 0.00 0.00 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 0.93 0.00 0.00 119 L 8.35 4.59 0.00 1.51 1.54 0.84 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 120 D 8.50 4.62 0.00 2.71 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 0.00 121 S 7.87 4.15 0.00 3.90 3.91 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 0.00 122 K 8.06 4.20 0.00 1.77 1.88 0.00 1.84 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.39 7.81 123 G 7.90 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 0.00 124 E 8.12 4.18 0.00 2.13 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 2.47 2.39 0.00 125 L 8.06 4.06 0.00 2.21 1.95 -0.18 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 *127 K 8.17 4.13 0.00 1.91 2.07 0.00 1.74 0.00 0.00 1.91 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.43 7.81 128 E 8.64 3.79 0.00 2.17 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 0.00 2.21 1.49 0.00 129 Y 7.87 4.13 0.00 2.90 2.68 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 0.00 0.00 0.00 0.00 130 H 7.35 3.99 0.00 3.26 3.34 0.00 5.85 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 7.52 3.98 1.59 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 0.92 -0.36 0.75 0.00 0.00 132 I 8.35 4.47 1.88 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 1.60 0.89 0.92 0.00 0.00 133 T 7.74 4.75 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 1.20 0.00 0.00 134 I 7.89 4.74 1.81 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.50 0.88 0.00 0.00 135 P 0.00 4.85 0.00 2.16 2.14 0.00 3.80 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 2.13 1.96 0.00 136 T 8.37 5.09 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 0.80 0.00 0.00 137 S 9.29 5.36 0.00 3.81 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 0.00 138 F 9.51 5.43 0.00 2.93 2.90 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 0.00 139 L 8.41 4.88 0.00 0.41 1.08 0.68 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 140 L 9.14 5.31 0.00 1.63 1.59 1.03 0.50 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 0.00 141 N 8.52 5.08 0.00 2.97 3.21 0.00 0.00 7.00 7.73 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 0.00 142 E 8.67 4.18 0.00 1.99 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 2.48 2.35 0.00 143 K 8.23 4.25 0.00 1.84 1.84 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.43 7.81 144 G 8.30 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 0.00 145 E 8.38 4.14 0.00 2.20 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 2.32 2.28 0.00 146 I 8.16 4.44 1.93 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 1.45 0.49 1.14 0.00 0.00 147 E 9.24 4.30 0.00 1.71 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 2.27 2.24 0.00 148 K 7.59 4.65 0.00 0.79 1.33 0.00 1.47 0.00 0.00 1.63 0.00 0.00 2.75 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.86 0.21 7.81 149 T 8.63 5.09 4.34 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 1.18 0.00 0.00 150 K 9.41 4.55 0.00 2.00 1.63 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 1.29 7.81 151 I 8.39 4.59 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 1.23 0.71 0.90 0.00 0.00 152 G 9.13 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 P 0.00 4.78 0.00 2.01 2.02 0.00 3.74 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 2.01 2.02 0.00 *155 T 8.06 3.93 4.10 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 0.00 0.00 0.00 1.10 0.00 0.00 156 A 8.21 3.71 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 0.00 157 E 7.85 3.83 0.00 2.01 1.83 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 2.32 2.39 0.00 158 Q 7.72 3.76 0.00 1.84 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.18 2.19 0.00 159 L 7.08 3.25 0.00 0.81 0.13 -0.57 -0.14 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 0.00 160 K 7.76 4.23 0.00 2.03 1.96 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.53 7.81 161 E 8.17 4.39 0.00 2.12 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 0.00 2.51 2.38 0.00 162 W 8.01 4.52 0.00 3.37 3.19 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 0.00 163 T 7.91 4.29 4.54 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 1.28 0.00 0.00 164 E 8.26 4.20 0.00 2.22 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 2.35 2.46 0.00 * Residues marked with a * may have inaccurate shift predictions.