NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.3036 8.2798 113.7060 61.3057 33.2721 174.0910 3 Q 4.5384 8.1956 119.9707 53.9427 31.8608 172.7746 4 L 5.1128 8.5778 120.7892 53.0826 45.3885 176.4773 5 V 4.3841 8.7637 124.2686 61.2639 34.0666 174.4069 6 E 5.1642 8.7384 126.7777 55.1403 31.4715 175.8587 7 S 4.5514 9.1695 122.8057 57.8503 65.5035 174.7538 8 G 4.0408 9.1875 111.3170 44.8371 0.0000 172.3017 9 G 3.8633 8.7661 104.8369 43.8621 0.0000 174.0431 10 G 3.9596 7.2887 106.0945 43.6233 0.0000 171.7742 11 S 5.3513 8.0975 115.0756 56.7014 64.8706 174.0627 12 V 4.5694 9.1478 122.5617 59.8040 35.3213 174.2958 13 Q 4.7215 8.5540 122.4425 55.1567 30.4753 174.9550 14 A 4.2363 8.4809 128.4249 54.3868 18.7421 178.2810 15 G 3.9364 9.2427 111.6500 45.0582 0.0000 173.9530 16 G 3.8541 8.1622 107.7378 46.1615 0.0000 172.6983 17 S 5.0472 8.1916 114.6899 56.3639 65.2912 172.1849 18 L 4.8835 7.1946 127.2482 55.0617 44.8365 172.6920 19 R 4.4530 8.2721 127.3183 54.2612 31.3313 175.1003 20 L 4.1372 7.9614 127.0804 54.6616 42.9371 176.4018 21 S 5.4217 8.8494 115.7944 57.0150 66.5723 171.8864 22 C 5.5314 9.3910 124.3108 55.5237 46.9290 172.7023 23 T 5.1969 8.9477 121.7930 61.6722 71.9710 172.5908 24 A 4.9022 8.1956 127.3289 50.7918 20.3728 176.4829 25 S 4.4423 9.2695 117.0850 56.3437 66.4231 174.0545 26 G 3.8186 8.8988 105.1811 47.2852 0.0000 172.0582 27 G 4.2239 7.7225 117.1203 45.0668 0.0000 171.3199 28 S 4.4900 8.5182 112.7055 58.1142 65.3763 173.9084 *31 S 4.3223 7.7339 114.4503 57.9400 63.3622 173.6795 32 Y 3.9783 8.6696 127.1081 60.7894 38.7063 177.9727 33 S 4.2548 8.3091 111.9527 60.6502 62.7765 174.9009 34 T 4.1476 7.9007 117.5637 64.7993 68.7574 174.3108 35 F 5.0556 8.5340 120.3418 56.2237 41.1484 175.3535 36 S 4.8255 8.8085 116.6159 56.8074 65.5122 173.4303 37 L 5.5496 9.0177 123.2643 53.4456 45.2749 175.6931 38 G 4.1042 8.4716 106.4600 45.1261 0.0000 171.9361 39 W 5.3323 9.7288 124.3384 55.0572 31.3745 175.5919 40 F 5.4000 9.5713 122.6945 55.8209 42.6684 174.1470 41 R 5.0568 9.0841 115.7414 55.3185 33.4760 174.2750 42 Q 4.5692 8.7973 120.6598 55.4940 31.8837 173.8808 43 A 4.6464 8.6524 129.7501 49.9802 20.4485 174.1672 44 P 4.4068 0.0000 0.0000 65.3001 31.4160 175.8856 45 G 4.3880 9.0844 117.6979 46.2970 0.0000 173.9021 46 Q 4.1850 7.1011 118.7686 54.8862 29.2899 176.1431 47 E 4.2704 8.2976 119.7109 55.5039 30.8318 176.1180 48 R 4.4684 8.3769 120.4906 55.9855 30.3117 175.2116 49 E 4.8947 8.7367 123.5559 54.6604 32.6406 174.9168 50 A 3.8570 8.4030 122.0221 51.6341 19.7287 176.5446 51 V 4.2557 8.6241 119.7370 63.9868 33.7417 175.2671 52 A 5.1423 7.7134 119.5512 51.0313 22.6676 174.2948 53 A 5.1285 8.9015 120.3603 50.6964 23.6427 175.4731 54 I 5.0788 9.9307 120.1598 59.4411 41.1038 174.7708 55 A 4.4397 9.2475 132.2935 51.4734 19.3233 178.3335 56 S 4.3999 8.2984 117.5924 58.4949 63.7100 176.7544 57 M 3.0767 8.7251 116.3064 55.2897 31.0580 177.3130 58 G 5.0720 8.8718 122.3172 47.0482 0.0000 173.1442 59 G 4.1865 8.4431 105.0313 45.5970 0.0000 174.1223 60 L 4.2171 7.6087 119.5642 55.3849 42.6830 176.3970 61 T 5.1232 8.1422 112.0734 60.1152 71.8082 172.6700 62 Y 4.7298 8.8284 120.8032 56.5136 42.1562 174.0745 63 Y 5.3548 8.4688 117.7087 56.0786 42.0753 175.1230 64 A 4.2334 9.2389 124.1435 52.0060 19.8561 178.8028 65 D 4.3411 8.8780 119.3861 57.5907 41.1080 179.4091 66 S 4.0802 8.0878 111.7423 60.7586 62.8493 175.2592 67 V 3.7191 7.1155 110.6185 60.2987 32.2830 175.5970 68 K 3.9007 7.5090 122.0400 57.6464 32.5870 174.8816 69 G 4.1332 8.7522 112.9525 45.6897 0.0000 174.6759 70 R 4.2980 7.7432 117.2795 58.1076 31.0866 176.3351 71 F 4.8191 7.9167 115.4963 57.5604 40.1572 175.6534 72 T 4.6132 8.8912 118.9218 62.0694 71.8879 172.6876 73 I 5.1367 9.0509 127.8916 60.2244 39.7207 174.7533 74 S 4.9598 9.3002 122.4911 57.8316 66.8931 172.3560 75 R 5.1856 8.3990 114.2186 55.3248 32.3587 174.5612 76 D 4.7917 9.2958 121.0519 52.4873 42.5216 175.9875 77 N 4.6874 8.9563 124.2268 55.8165 39.1338 177.8348 78 A 4.0552 8.1468 120.5528 54.5825 18.5829 178.1506 79 K 4.1688 9.3920 113.4692 55.6302 33.2151 176.0582 80 N 3.1400 7.2447 115.0965 54.0928 36.5322 173.7959 81 T 5.1251 7.6765 112.7491 61.8480 73.5415 174.6784 82 V 5.0436 9.0097 125.2037 61.6993 34.4351 174.5644 83 T 5.3796 9.2810 122.6331 61.7894 73.1198 172.6981 84 L 4.8276 8.5070 127.1956 53.3246 44.6401 175.2294 85 Q 4.0769 9.0207 130.2284 55.1184 29.6989 174.2068 86 M 3.8445 8.0864 127.9639 54.4089 32.7794 176.4754 87 N 4.3561 8.6143 121.2996 54.2367 39.7750 176.0597 88 N 4.9125 7.5846 115.6003 51.5852 37.1737 174.3138 89 L 4.4763 7.8506 120.7644 55.7952 43.5117 178.3340 90 K 4.9260 9.4539 121.6300 53.7405 36.0250 175.4786 91 P 4.4597 0.0000 0.0000 65.8572 31.3753 178.5051 92 E 4.1649 8.1164 114.2852 58.4509 29.6981 177.4023 93 D 4.6850 8.5264 119.0964 56.1999 41.3492 176.6732 94 T 4.2404 7.8730 116.4445 63.9873 69.0238 173.7301 95 A 4.3890 8.4938 128.1039 52.0724 23.9102 174.2816 96 I 4.6819 7.6260 119.5846 60.4214 39.7103 173.9766 97 Y 5.0899 9.3134 128.0632 57.0280 39.7910 174.2923 98 Y 5.3413 9.3775 122.3429 56.6763 40.9607 174.0502 99 C 4.3724 8.9100 121.9403 55.2970 44.4711 172.0347 100 A 4.6842 7.5679 123.8151 50.5274 22.3954 175.0123 101 A 5.7985 9.3590 121.3675 50.3117 23.5839 175.6241 102 V 4.3660 8.2058 116.0910 60.7753 34.6072 173.2698 103 R 3.7504 8.3415 123.6306 55.8917 29.0317 175.9512 104 G 3.8203 7.3773 111.4812 45.9500 0.0000 169.8492 105 Y 4.5085 8.1496 118.6607 56.2730 41.7711 174.5576 106 F 4.5108 6.8799 117.7931 56.2456 40.3798 173.4622 107 M 4.8578 7.9638 119.1472 53.7502 32.6301 175.7909 108 R 4.0810 6.8606 115.1573 54.2295 34.1649 174.7533 109 L 3.7116 8.1287 121.7934 54.3787 41.5554 175.1024 110 P 4.1832 0.0000 0.0000 62.4276 31.9532 174.6142 111 S 5.1292 8.2282 111.6657 56.1131 65.5870 174.7921 112 S 4.2732 9.1029 114.1429 61.6340 62.5339 175.7875 113 H 4.5171 8.0546 116.0584 57.3123 28.6385 175.6991 114 N 4.6105 8.3994 115.9644 53.7877 38.9352 174.9934 115 F 4.6976 7.8713 116.0407 55.9434 41.1229 175.2545 116 R 4.3355 8.6056 123.7785 58.4376 30.9319 175.6775 117 Y 5.1565 8.0871 117.0684 56.5379 39.8511 174.7100 118 W 5.3048 9.0098 122.1434 54.9540 33.4668 175.1826 119 G 4.1634 8.9084 110.2512 45.4201 0.0000 173.7389 120 Q 4.4144 8.8478 117.2071 56.2617 29.2488 177.3286 121 G 4.0281 10.4989 104.9755 45.1807 0.0000 173.2615 122 T 4.6376 8.1686 115.2062 61.7189 73.1487 173.2801 123 Q 4.4346 8.8334 128.3990 55.9799 30.7609 174.6282 124 V 4.7075 8.6879 125.5907 61.4521 34.7634 174.0478 125 T 4.8952 9.0019 124.8782 61.7565 71.4543 173.0288 126 V 5.4958 9.2251 127.3593 60.3713 33.4099 174.9557 127 S 4.8332 8.3985 120.9868 56.1232 66.8397 173.3388 128 S 4.4228 8.7482 118.5840 59.1145 63.2882 174.9720 *129 R 4.1503 8.2975 118.5009 56.4027 29.8986 172.5063 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 V 8.28 4.30 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 0.89 0.00 0.00 0.08 0.00 0.00 3 Q 8.20 4.54 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.72 0.00 0.00 0.00 0.00 0.00 2.16 2.35 0.00 4 L 8.58 5.11 0.00 1.59 1.53 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.76 4.38 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 0.98 0.00 0.00 0.92 0.00 0.00 6 E 8.74 5.16 0.00 2.05 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 2.36 2.36 0.00 7 S 9.17 4.55 0.00 3.81 3.84 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 8 G 9.19 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 9 G 8.77 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 0.00 0.00 0.00 10 G 7.29 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 11 S 8.10 5.35 0.00 3.85 3.84 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 12 V 9.15 4.57 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 0.68 0.00 0.00 0.93 0.00 0.00 13 Q 8.55 4.72 0.00 2.15 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.02 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 14 A 8.48 4.24 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 15 G 9.24 3.94 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 0.00 0.00 0.00 16 G 8.16 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.19 5.05 0.00 3.82 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 18 L 7.19 4.88 0.00 1.65 1.26 0.78 0.54 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 19 R 8.27 4.45 0.00 1.91 1.72 0.00 3.25 0.00 0.00 3.20 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.50 0.00 20 L 7.96 4.14 0.00 0.48 0.89 0.28 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.85 5.42 0.00 3.93 3.71 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 22 C 9.39 5.53 0.00 2.81 2.78 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 23 T 8.95 5.20 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 1.14 0.00 0.00 24 A 8.20 4.90 1.15 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 25 S 9.27 4.44 0.00 3.77 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 26 G 8.90 3.82 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 0.00 0.00 0.00 27 G 7.72 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 0.00 0.00 0.00 0.00 28 S 8.52 4.49 0.00 3.88 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 *31 S 7.73 4.32 0.00 3.95 3.85 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 0.00 0.00 0.00 32 Y 8.67 3.98 0.00 2.97 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 33 S 8.31 4.25 0.00 4.04 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 34 T 7.90 4.15 4.46 0.00 0.00 0.00 0.00 0.00 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 35 F 8.53 5.06 0.00 2.48 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 36 S 8.81 4.83 0.00 3.28 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 37 L 9.02 5.55 0.00 1.62 1.51 0.79 1.22 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 38 G 8.47 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 0.00 0.00 0.00 0.00 39 W 9.73 5.33 0.00 3.34 3.33 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 40 F 9.57 5.40 0.00 3.35 3.31 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 0.00 41 R 9.08 5.06 0.00 0.98 0.81 0.00 2.51 0.00 0.00 2.71 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.43 0.00 42 Q 8.80 4.57 0.00 2.37 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 43 A 8.65 4.65 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.41 0.00 2.08 2.06 0.00 3.69 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 45 G 9.08 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 46 Q 7.10 4.19 0.00 2.23 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.86 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 47 E 8.30 4.27 0.00 1.98 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 2.31 2.30 0.00 48 R 8.38 4.47 0.00 1.78 1.84 0.00 3.34 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.11 0.00 49 E 8.74 4.89 0.00 2.12 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 2.22 2.23 0.00 50 A 8.40 3.86 0.80 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 51 V 8.62 4.26 2.44 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 1.21 0.00 0.00 0.92 0.00 0.00 52 A 7.71 5.14 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 0.00 0.00 0.00 0.00 0.00 53 A 8.90 5.13 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 54 I 9.93 5.08 1.99 0.00 0.00 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 1.26 2.06 1.09 0.00 0.00 55 A 9.25 4.44 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 56 S 8.30 4.40 0.00 4.18 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 57 M 8.73 3.08 0.00 1.36 1.34 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.89 0.00 58 G 8.87 5.07 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 59 G 8.44 4.19 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 0.00 60 L 7.61 4.22 0.00 1.86 1.78 1.02 1.02 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 61 T 8.14 5.12 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 1.34 0.00 0.00 62 Y 8.83 4.73 0.00 2.86 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 63 Y 8.47 5.35 0.00 2.83 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 64 A 9.24 4.23 1.26 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 0.00 0.00 65 D 8.88 4.34 0.00 2.71 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 66 S 8.09 4.08 0.00 3.89 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 67 V 7.12 3.72 0.67 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 0.90 0.00 0.00 68 K 7.51 3.90 0.00 1.88 1.66 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.35 1.28 7.81 69 G 8.75 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 0.00 0.00 0.00 70 R 7.74 4.30 0.00 2.01 2.16 0.00 3.34 0.00 0.00 3.34 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 71 F 7.92 4.82 0.00 2.85 3.02 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 72 T 8.89 4.61 4.26 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 1.29 0.00 0.00 73 I 9.05 5.14 2.15 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.33 0.91 0.00 0.00 74 S 9.30 4.96 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 75 R 8.40 5.19 0.00 2.00 2.04 0.00 3.05 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 76 D 9.30 4.79 0.00 2.71 2.56 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 0.00 0.00 0.00 0.00 77 N 8.96 4.69 0.00 2.89 3.02 0.00 0.00 6.93 7.54 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 78 A 8.15 4.06 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 79 K 9.39 4.17 0.00 1.58 1.78 0.00 1.84 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.65 7.81 80 N 7.24 3.14 0.00 2.58 2.00 0.00 0.00 6.69 6.93 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 81 T 7.68 5.13 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 1.33 0.00 0.00 82 V 9.01 5.04 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 1.26 0.00 0.00 1.06 0.00 0.00 83 T 9.28 5.38 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 1.25 0.00 0.00 84 L 8.51 4.83 0.00 0.43 0.29 1.05 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 9.02 4.08 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.62 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 86 M 8.09 3.84 0.00 1.06 1.50 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.81 0.00 87 N 8.61 4.36 0.00 2.76 2.84 0.00 0.00 6.87 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 88 N 7.58 4.91 0.00 2.72 2.75 0.00 0.00 6.96 7.78 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 89 L 7.85 4.48 0.00 1.74 1.62 0.83 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 90 K 9.45 4.93 0.00 1.67 1.82 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.62 7.81 91 P 0.00 4.46 0.00 2.19 2.15 0.00 3.61 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 92 E 8.12 4.16 0.00 2.09 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 0.00 2.30 2.28 0.00 93 D 8.53 4.69 0.00 2.92 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 94 T 7.87 4.24 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 1.26 0.00 0.00 95 A 8.49 4.39 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 96 I 7.63 4.68 1.86 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 1.27 1.03 0.00 0.00 97 Y 9.31 5.09 0.00 2.97 3.18 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 98 Y 9.38 5.34 0.00 3.23 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 99 C 8.91 4.37 0.00 2.31 2.70 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 0.00 100 A 7.57 4.68 -0.58 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 0.00 101 A 9.36 5.80 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 0.00 0.00 0.00 0.00 0.00 102 V 8.21 4.37 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 0.27 0.00 0.00 0.75 0.00 0.00 103 R 8.34 3.75 0.00 1.34 1.59 0.00 3.12 0.00 0.00 3.05 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 104 G 7.38 3.82 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 0.00 0.00 0.00 105 Y 8.15 4.51 0.00 2.58 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 0.00 106 F 6.88 4.51 0.00 2.74 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 0.00 107 M 7.96 4.86 0.00 2.00 1.95 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.20 0.00 108 R 6.86 4.08 0.00 1.47 1.62 0.00 3.04 0.00 0.00 2.98 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.56 0.00 109 L 8.13 3.71 0.00 1.63 1.56 0.80 0.88 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 0.00 110 P 0.00 4.18 0.00 2.13 0.66 0.00 3.32 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.22 0.00 111 S 8.23 5.13 0.00 4.17 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 0.00 112 S 9.10 4.27 0.00 3.64 4.14 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 0.00 0.00 0.00 0.00 113 H 8.05 4.52 0.00 3.20 3.44 0.00 5.84 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 N 8.40 4.61 0.00 2.77 2.67 0.00 0.00 6.86 6.85 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 0.00 115 F 7.87 4.70 0.00 2.89 2.66 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 0.00 0.00 0.00 0.00 116 R 8.61 4.34 0.00 1.59 1.57 0.00 2.92 0.00 0.00 2.70 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.21 0.00 117 Y 8.09 5.16 0.00 3.09 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 0.00 118 W 9.01 5.30 0.00 3.07 3.09 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 0.00 119 G 8.91 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 0.00 0.00 0.00 120 Q 8.85 4.41 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.45 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 121 G 10.50 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 0.00 122 T 8.17 4.64 4.35 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 1.26 0.00 0.00 123 Q 8.83 4.43 0.00 2.20 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 124 V 8.69 4.71 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 0.68 0.00 0.00 0.49 0.00 0.00 125 T 9.00 4.90 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 1.22 0.00 0.00 126 V 9.23 5.50 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 0.83 0.00 0.00 0.93 0.00 0.00 127 S 8.40 4.83 0.00 3.88 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 0.00 128 S 8.75 4.42 0.00 3.91 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 *129 R 8.30 4.15 0.00 1.62 1.73 0.00 3.28 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.