NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3292 8.3231 115.4186 57.2454 65.2985 174.6048 3 G 3.7951 9.0856 108.3106 44.5705 0.0000 170.6474 4 T 5.0815 8.7583 118.0747 61.8082 72.8922 172.1121 5 L 4.8973 8.5027 125.2538 53.1047 45.5328 175.0753 *7 A 4.4363 8.3876 119.6927 52.6991 20.4764 176.1862 8 F 5.2160 9.0599 118.4977 55.6985 43.0497 174.1153 9 D 5.2134 9.0858 123.0700 52.1855 42.6182 174.6684 10 F 4.1364 8.8652 128.6244 58.1649 40.4250 174.1546 11 G 4.1263 7.0820 110.8199 44.7784 0.0000 173.6095 12 T 4.0488 8.3671 109.9616 63.2228 69.4292 176.2732 13 K 4.3493 7.5058 118.1880 55.7865 33.7856 175.1455 14 S 4.8990 7.2187 113.1564 57.3327 66.0296 172.8893 15 I 4.5690 8.4935 127.5000 59.2711 39.3475 175.5459 16 G 4.0813 8.9239 115.3172 46.1018 0.0000 172.3135 17 V 4.8560 8.7581 120.9831 60.8091 34.9700 174.1908 18 A 4.9351 8.5271 127.9808 50.2250 22.6241 175.5427 19 V 4.2735 8.5324 113.1018 59.2856 35.2624 175.2290 20 G 4.3162 8.9046 111.4201 44.3388 0.0000 171.5928 21 Q 5.1732 8.4556 123.8754 53.8375 30.0606 176.5365 22 R 3.9825 8.5508 124.4631 58.8859 29.5039 177.6906 23 I 4.0278 7.7175 116.8160 62.0275 38.2835 175.6193 24 T 4.4622 7.7509 107.8268 60.7278 69.4265 173.8936 25 G 4.0899 8.0591 109.5274 46.8149 0.0000 172.7597 26 T 4.6875 7.7877 107.7980 59.3190 71.5467 172.5384 27 A 5.1071 8.5451 126.1669 50.1158 21.3166 175.5023 28 R 4.6911 8.9425 122.8564 53.6194 33.6720 172.7659 29 P 4.8675 0.0000 0.0000 62.5790 32.5259 175.1533 30 L 4.7743 8.1494 121.6018 51.8693 44.8728 174.6189 31 P 4.1863 0.0000 0.0000 62.7315 31.6786 176.7219 32 A 4.2882 8.3747 124.2995 52.2212 19.5009 176.5287 33 I 4.2193 8.5605 121.1791 59.8967 38.4420 175.9959 34 K 4.3749 8.6652 126.4106 56.5866 32.8640 175.8248 35 A 4.8843 8.8118 124.8425 50.0756 23.3125 175.0743 36 Q 4.4698 8.6706 118.4037 54.3568 30.8511 175.5174 37 D 4.4204 9.6180 125.9502 55.3784 38.2775 175.3749 38 G 3.8713 8.8115 107.0549 45.4202 0.0000 174.1907 39 T 4.4129 7.8566 118.1314 61.6023 68.7648 173.0557 40 P 4.9777 0.0000 0.0000 60.3480 33.2126 174.9104 41 D 4.5734 8.1378 117.9185 53.0950 40.8297 176.7155 42 W 4.1112 8.8433 128.0651 59.7520 29.0763 178.0870 43 N 4.5437 8.8137 116.5366 56.0647 37.8897 177.4611 44 I 3.8176 7.9069 121.7603 64.1938 37.2974 178.3142 45 I 3.7315 7.6837 120.2340 64.3762 37.0857 177.8442 46 E 3.0054 8.2618 120.1289 58.8948 29.3355 178.7529 47 R 3.8576 8.0490 118.6560 59.5252 30.1670 178.3943 48 L 4.2165 8.0468 118.6578 58.0089 41.5791 179.5407 49 L 4.1214 7.8332 118.3415 57.6871 41.2544 179.8239 50 K 4.0072 7.6972 117.5646 59.4424 32.1741 178.9662 51 E 3.9108 8.4575 118.1698 58.3177 29.3996 178.4560 52 W 4.4945 8.0630 116.2969 55.2144 31.9126 175.8033 53 Q 3.3444 8.4954 118.2290 55.9927 26.2191 172.7128 54 P 4.6279 0.0000 0.0000 62.9319 32.4213 177.0471 55 D 4.5691 9.1009 121.3489 57.0930 41.0777 176.7006 56 E 4.8300 7.7883 116.0932 54.7689 33.9842 174.8119 57 I 4.5116 8.4233 123.2702 59.5623 40.4015 174.3544 58 I 4.9460 8.2791 127.0813 59.3515 40.4925 174.4775 59 V 4.9863 8.9528 126.7428 60.7741 34.2795 174.9709 60 G 4.2517 8.9978 115.5809 45.7828 0.0000 172.5759 61 L 4.8115 9.1135 127.1632 51.6416 44.3095 175.2879 62 P 5.1317 0.0000 0.0000 61.8745 29.2585 175.6443 63 L 4.8300 7.5426 121.2323 54.1772 44.5913 179.3245 64 N 5.1523 9.3848 125.3463 53.7407 36.8208 176.9168 *66 D 4.4690 9.1463 125.7095 53.4488 40.7879 176.3561 67 G 3.9511 8.5456 109.5278 45.7384 0.0000 174.3042 68 T 4.2137 8.0153 110.1608 61.2733 69.7386 173.0671 69 E 4.7139 8.3723 121.2945 55.7310 30.9433 176.4097 70 Q 4.5687 8.3741 121.9193 53.8693 31.4213 173.3900 71 P 4.5694 0.0000 0.0000 63.8874 31.9567 177.3960 72 L 4.1640 8.9806 121.2751 55.3481 39.8171 176.7123 73 T 3.8531 7.8965 115.5987 66.7247 68.3270 176.1532 74 A 3.9649 7.9405 122.0037 55.3306 18.4630 179.7694 75 R 3.7191 7.8914 115.8205 58.9752 30.1582 179.0063 76 A 3.4476 8.0543 121.1974 54.7398 18.2978 179.5674 77 R 3.8508 8.1082 117.4018 59.6076 30.0777 178.9409 78 K 3.9368 8.3351 118.6427 59.2331 32.0311 178.9981 79 F 4.3496 8.2522 120.7468 61.4124 39.3539 176.9709 80 A 3.8714 8.1826 120.2085 55.3548 18.1890 179.3546 81 N 4.3063 8.4214 115.1439 56.5790 38.3528 177.9414 82 R 3.7867 8.0717 118.9717 58.8877 30.2877 178.8609 83 I 3.9621 7.6970 119.8237 64.5904 36.9784 177.8997 84 H 4.7694 7.6391 120.4757 58.5210 29.4383 176.6138 85 G 4.0045 8.1090 105.4201 44.6339 0.0000 173.9627 86 R 3.9908 7.3277 119.8098 57.0073 31.6258 176.0017 87 F 4.7916 8.0098 113.9355 56.4156 39.4622 176.3619 88 G 4.1459 7.9880 108.1707 46.3441 0.0000 173.8784 89 V 4.4888 7.0565 118.3921 59.0790 33.7744 174.5171 90 E 4.3168 8.5770 122.2489 55.9355 30.2688 175.9021 91 V 4.6588 8.1379 124.8195 61.0876 34.4663 174.4261 92 K 4.6204 9.3856 127.4259 55.1722 34.0398 175.3759 93 L 4.9910 8.5768 124.6156 53.8406 43.3926 175.3920 94 H 4.8934 9.1888 124.7168 54.3653 31.3931 173.3097 95 D 4.9335 8.6867 126.8989 54.4795 41.1080 175.9025 96 E 4.0363 9.5094 126.0693 56.3241 30.4622 177.0048 97 R 3.7405 8.0060 118.7413 57.0765 28.1415 176.3568 98 L 4.2146 8.1564 117.7382 54.6110 43.1659 179.0155 99 S 4.4989 8.3338 116.4584 57.2986 61.8696 173.0344 100 T 4.4510 7.0522 111.9694 62.6433 70.1843 172.5831 101 V 4.3055 8.1666 116.2446 60.7936 32.6009 175.4867 102 E 3.9342 8.1757 121.9409 55.8232 28.8895 176.7527 103 A 4.1846 8.2754 131.0239 50.8126 17.8110 175.9813 *121 V 3.7718 7.7293 119.1717 63.5046 31.4230 173.9899 122 D 4.7473 7.9488 122.7915 51.8726 44.7340 175.2757 123 S 4.7073 8.3808 117.1552 58.4519 63.6838 176.3624 124 A 3.9968 8.3611 127.8369 55.4656 17.9791 180.8175 125 S 4.1314 8.0251 112.9536 61.3857 62.9525 176.5000 126 A 3.9781 7.9268 123.3019 54.9024 18.0942 179.6796 127 V 3.4321 7.6354 116.4956 66.1244 31.6439 178.1999 128 I 3.6676 7.5755 119.2603 64.5543 36.9163 178.4530 129 I 3.6876 8.0434 120.8051 64.3315 36.7261 178.3085 130 L 3.8727 7.7862 120.0080 58.0747 41.9654 178.2782 131 E 4.0434 8.3897 118.8745 59.1714 29.7696 178.4389 132 S 4.2437 8.1558 113.2979 61.2883 62.3661 176.4868 133 Y 4.7134 7.8557 121.6729 57.4604 38.1961 177.1741 *135 E 4.1366 8.1293 120.4252 55.4798 31.3624 176.5224 136 Q 3.8563 7.9817 116.2423 56.0428 29.1528 177.0190 137 G 3.7431 9.5069 105.6078 44.9246 0.0000 172.9244 138 Y 3.9981 6.2886 122.8566 57.3666 37.4192 174.1691 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 S 8.32 4.33 0.00 4.05 4.15 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 3 G 9.09 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 4 T 8.76 5.08 4.38 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 1.31 0.00 0.00 5 L 8.50 4.90 0.00 1.47 1.43 1.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 *7 A 8.39 4.44 1.10 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 8 F 9.06 5.22 0.00 3.24 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 9 D 9.09 5.21 0.00 2.77 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 10 F 8.87 4.14 0.00 2.96 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 11 G 7.08 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 12 T 8.37 4.05 4.18 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 1.19 0.00 0.00 13 K 7.51 4.35 0.00 1.87 2.00 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.77 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.26 7.81 14 S 7.22 4.90 0.00 3.79 3.56 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 15 I 8.49 4.57 1.72 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.22 0.89 0.00 0.00 16 G 8.92 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 0.00 0.00 0.00 17 V 8.76 4.86 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 0.65 0.00 0.00 1.09 0.00 0.00 18 A 8.53 4.94 1.03 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 19 V 8.53 4.27 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 -0.39 0.00 0.00 0.19 0.00 0.00 20 G 8.90 4.32 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 0.00 21 Q 8.46 5.17 0.00 2.15 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.72 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 22 R 8.55 3.98 0.00 2.02 2.10 0.00 3.14 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.58 0.00 23 I 7.72 4.03 1.89 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 1.48 0.71 0.93 0.00 0.00 24 T 7.75 4.46 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 25 G 8.06 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 0.00 0.00 0.00 26 T 7.79 4.69 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 1.29 0.00 0.00 27 A 8.55 5.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.94 4.69 0.00 1.75 1.62 0.00 3.09 0.00 0.00 3.21 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.49 0.00 29 P 0.00 4.87 0.00 2.06 1.96 0.00 3.72 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.95 0.00 30 L 8.15 4.77 0.00 1.40 1.56 0.52 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 31 P 0.00 4.19 0.00 2.04 2.00 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 32 A 8.37 4.29 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 33 I 8.56 4.22 1.82 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.74 0.82 0.00 0.00 34 K 8.67 4.37 0.00 1.67 1.68 0.00 1.58 0.00 0.00 1.80 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.42 7.81 35 A 8.81 4.88 0.98 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 0.00 0.00 36 Q 8.67 4.47 0.00 2.09 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.29 0.00 0.00 0.00 0.00 0.00 2.42 2.31 0.00 37 D 9.62 4.42 0.00 2.84 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 38 G 8.81 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 0.00 0.00 0.00 39 T 7.86 4.41 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 1.35 0.00 0.00 40 P 0.00 4.98 0.00 1.75 1.75 0.00 3.36 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.24 0.00 41 D 8.14 4.57 0.00 2.70 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 42 W 8.84 4.11 0.00 3.62 3.57 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 0.00 0.00 0.00 0.00 43 N 8.81 4.54 0.00 3.00 2.94 0.00 0.00 6.88 6.86 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 44 I 7.91 3.82 2.03 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 1.54 0.95 0.93 0.00 0.00 45 I 7.68 3.73 2.20 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.64 0.89 0.00 0.00 46 E 8.26 3.01 0.00 1.86 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 2.23 2.04 0.00 47 R 8.05 3.86 0.00 2.06 2.09 0.00 3.17 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 1.82 1.68 0.00 48 L 8.05 4.22 0.00 2.05 1.87 1.12 0.54 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 49 L 7.83 4.12 0.00 1.75 1.70 0.73 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.70 4.01 0.00 1.88 1.84 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.65 7.81 51 E 8.46 3.91 0.00 1.89 1.52 0.00 0.00 0.00 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 2.28 0.00 52 W 8.06 4.49 0.00 3.37 3.27 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 53 Q 8.50 3.34 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.85 0.00 0.00 0.00 0.00 0.00 2.34 2.28 0.00 54 P 0.00 4.63 0.00 2.36 2.07 0.00 3.85 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.04 0.00 55 D 9.10 4.57 0.00 2.77 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.79 4.83 0.00 1.74 1.75 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 2.27 2.39 0.00 57 I 8.42 4.51 2.09 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 1.42 0.93 1.16 0.00 0.00 58 I 8.28 4.95 1.62 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.39 0.84 0.00 0.00 59 V 8.95 4.99 2.24 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 1.40 0.00 0.00 1.18 0.00 0.00 60 G 9.00 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 0.00 0.00 0.00 0.00 61 L 9.11 4.81 0.00 1.78 1.58 0.95 0.81 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 62 P 0.00 5.13 0.00 2.20 2.27 0.00 3.96 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.92 0.00 63 L 7.54 4.83 0.00 1.84 1.63 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 64 N 9.38 5.15 0.00 2.88 2.29 0.00 0.00 6.86 8.03 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 *66 D 9.15 4.47 0.00 2.81 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 67 G 8.55 3.95 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 0.00 0.00 0.00 68 T 8.02 4.21 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 1.22 0.00 0.00 69 E 8.37 4.71 0.00 1.88 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 2.28 2.34 0.00 70 Q 8.37 4.57 0.00 2.20 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.95 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 71 P 0.00 4.57 0.00 1.97 2.01 0.00 3.71 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 72 L 8.98 4.16 0.00 1.95 2.28 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 73 T 7.90 3.85 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 1.27 0.00 0.00 74 A 7.94 3.96 1.31 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 0.00 0.00 75 R 7.89 3.72 0.00 1.83 1.71 0.00 3.20 0.00 0.00 3.46 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 76 A 8.05 3.45 1.46 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 0.00 0.00 0.00 77 R 8.11 3.85 0.00 1.88 2.07 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 78 K 8.34 3.94 0.00 1.90 1.85 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.62 7.81 79 F 8.25 4.35 0.00 2.97 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 80 A 8.18 3.87 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.42 4.31 0.00 2.85 2.85 0.00 0.00 7.08 8.52 0.00 0.00 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 R 8.07 3.79 0.00 1.78 1.28 0.00 3.15 0.00 0.00 2.83 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.72 0.00 83 I 7.70 3.96 1.93 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.33 1.06 0.00 0.00 84 H 7.64 4.77 0.00 3.25 3.46 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.11 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 86 R 7.33 3.99 0.00 0.98 1.16 0.00 2.81 0.00 0.00 2.69 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 87 F 8.01 4.79 0.00 3.29 3.05 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 88 G 7.99 4.15 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 0.00 89 V 7.06 4.49 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 0.87 0.00 0.00 1.00 0.00 0.00 90 E 8.58 4.32 0.00 1.98 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 2.31 2.28 0.00 91 V 8.14 4.66 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 0.94 0.00 0.00 1.01 0.00 0.00 92 K 9.39 4.62 0.00 1.70 1.88 0.00 1.87 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.74 7.81 93 L 8.58 4.99 0.00 1.59 1.67 0.95 1.12 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 94 H 9.19 4.89 0.00 3.43 3.31 0.00 5.78 0.00 0.00 0.00 0.00 6.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 D 8.69 4.93 0.00 2.76 2.61 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 96 E 9.51 4.04 0.00 2.10 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 2.43 2.55 0.00 97 R 8.01 3.74 0.00 1.89 1.93 0.00 3.25 0.00 0.00 3.27 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.88 0.00 98 L 8.16 4.21 0.00 1.62 1.62 0.99 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 99 S 8.33 4.50 0.00 3.98 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 0.00 100 T 7.05 4.45 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 1.25 0.00 0.00 101 V 8.17 4.31 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 0.81 0.00 0.00 0.94 0.00 0.00 102 E 8.18 3.93 0.00 1.93 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 2.32 2.30 0.00 103 A 8.28 4.18 1.27 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 0.00 0.00 *121 V 7.73 3.77 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 0.99 0.00 0.00 0.88 0.00 0.00 122 D 7.95 4.75 0.00 2.58 2.42 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.38 4.71 0.00 3.82 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 0.00 124 A 8.36 4.00 1.31 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 0.00 0.00 125 S 8.03 4.13 0.00 4.08 3.92 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 0.00 0.00 0.00 126 A 7.93 3.98 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 0.00 127 V 7.64 3.43 2.22 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 1.05 0.00 0.00 0.90 0.00 0.00 128 I 7.58 3.67 2.06 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 1.51 0.84 0.92 0.00 0.00 129 I 8.04 3.69 2.00 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 1.48 0.73 0.88 0.00 0.00 130 L 7.79 3.87 0.00 1.57 1.75 0.80 0.71 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 0.00 131 E 8.39 4.04 0.00 2.05 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 0.00 2.30 2.29 0.00 132 S 8.16 4.24 0.00 3.96 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 0.00 133 Y 7.86 4.71 0.00 2.98 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 *135 E 8.13 4.14 0.00 2.01 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 2.13 2.34 0.00 136 Q 7.98 3.86 0.00 1.38 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 5.23 0.00 0.00 0.00 0.00 0.00 2.12 2.29 0.00 137 G 9.51 3.74 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 0.00 0.00 0.00 138 Y 6.29 4.00 0.00 3.20 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 * Residues marked with a * may have inaccurate shift predictions.