NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 91 Q 4.2927 8.3401 118.8250 56.3211 29.7969 174.2586 92 A 4.5282 8.2039 117.5175 51.4294 19.8234 175.1972 93 D 4.6519 7.8379 112.1734 54.7159 47.0758 175.5238 94 R 4.0581 8.0846 119.4116 58.1773 30.2726 176.5796 95 L 4.6368 7.8376 114.6701 54.7347 42.6386 176.4370 96 T 4.3067 7.6743 112.5493 62.6546 68.3425 175.4163 97 Q 4.1021 7.5876 122.5631 59.1371 29.5129 176.6741 98 E 4.4102 8.1035 115.9826 57.8145 30.5879 177.7554 99 P 4.7222 0.0000 0.0000 62.1682 30.4213 177.3401 100 E 4.6998 8.5027 114.8491 56.8653 31.5738 176.1105 101 S 4.6002 7.7992 112.0044 57.8586 67.6486 177.1026 102 I 4.0303 7.6464 116.3331 63.5812 38.0042 177.4681 103 R 4.0607 8.1250 119.1957 57.9703 29.3055 178.1253 104 K 3.9909 7.9312 117.6490 60.1482 32.0437 178.6683 105 W 4.6088 8.5249 127.4697 61.0621 30.7513 177.5050 106 R 4.0157 8.1241 117.9599 59.2268 29.2000 178.2368 107 E 4.1803 8.5845 118.2399 58.4272 29.5894 178.7583 108 E 3.9882 7.9773 116.9522 58.3829 30.0098 178.5352 109 Q 4.0606 8.0632 119.0626 57.9006 29.0160 177.5012 110 R 4.3986 7.3376 112.1285 56.2540 30.1195 176.7708 111 K 4.3889 7.5729 118.6776 56.7925 33.9216 175.9475 112 R 4.5154 7.1586 120.6300 55.2764 28.3367 180.2345 113 L 3.2332 9.6645 117.9130 57.1669 43.3985 173.4299 114 Q 3.3622 7.2385 119.7931 57.8167 27.8123 178.0206 115 E 3.6451 7.7760 113.9483 57.9186 30.8175 177.5276 116 L 3.8651 7.3435 116.7359 58.4781 42.3910 178.9518 117 D 4.1182 8.2052 116.7862 57.5556 42.0274 178.9061 118 A 3.8675 9.4074 122.7792 55.6610 18.0979 179.0208 119 A 3.6534 8.6550 117.2004 56.1748 19.3443 179.6992 120 S 3.9268 8.3023 107.7783 61.0516 62.5343 176.5175 121 K 3.9079 7.5917 120.5760 60.2439 31.7106 179.5542 122 V 3.5095 7.8074 111.9071 64.6383 31.5719 178.7248 123 M 3.6264 7.8944 118.7260 58.1385 31.0585 177.9197 124 E 2.9640 8.0036 120.7599 58.7230 29.6173 178.4064 125 Q 3.9748 7.5355 120.3963 59.0538 29.3537 176.9112 126 E 4.1258 7.5931 121.0539 57.1960 29.6405 177.3162 127 W 4.4364 8.0705 117.4726 60.1574 28.2034 178.8379 128 R 4.1736 8.1552 118.3231 59.0323 29.7431 178.5886 129 E 4.0965 8.5673 117.6383 58.9885 29.2808 179.5942 130 K 3.9778 8.0334 119.2525 59.4722 32.3861 178.6948 131 A 4.7647 8.3750 122.6031 54.5058 18.1072 179.5893 132 K 4.0936 8.1627 116.9049 59.4154 32.8664 179.2062 133 K 3.9460 7.8319 119.7846 59.7654 32.0613 178.7302 134 D 5.1846 8.3806 120.4362 55.9064 39.4318 178.0379 135 L 3.9337 7.8310 121.7652 58.2788 42.0350 179.0282 136 E 4.1814 9.0174 118.2188 59.2328 29.1555 177.9911 137 E 3.9573 8.2296 119.8638 58.9427 29.4466 178.4620 138 W 4.4191 8.7947 126.5957 60.6567 30.8923 177.4404 139 N 4.0602 8.3588 116.8432 57.7990 38.5541 176.5291 140 Q 3.9990 8.1484 118.8116 58.5779 28.7130 178.6339 141 R 3.9116 8.0164 119.0749 60.0690 30.1848 178.3234 142 Q 3.8622 8.3911 117.5870 60.1145 28.8478 179.1459 143 S 3.8410 7.7469 113.7741 62.4094 62.6442 176.9000 144 E 3.9617 7.9752 120.0816 59.6350 29.4656 179.4577 145 Q 4.3576 7.8089 117.8477 59.2330 28.7210 179.3092 146 V 4.0044 8.1134 114.8813 63.7239 31.6323 178.3742 147 E 3.9547 7.9433 119.0552 59.0860 29.3060 178.8510 148 K 4.1167 8.8400 118.6245 59.8761 32.3702 177.9660 149 N 4.0905 9.0522 117.0687 56.9163 38.1349 176.8243 150 K 3.8635 8.0192 122.6121 59.8265 32.6007 178.7535 151 I 3.7758 7.0950 111.1694 63.4837 37.3894 176.3295 152 N 4.5537 7.2197 115.4220 53.7750 39.1314 174.2050 153 N 4.5370 9.0062 115.0703 54.3987 35.5055 175.6223 154 R 4.6245 7.9181 115.1567 55.4970 33.3995 175.6173 155 I 4.2334 7.7889 111.9406 60.1489 37.9460 176.3150 156 A 3.4851 7.7328 121.6426 57.0876 15.4018 179.7838 157 D 4.3120 7.7049 126.4639 55.5139 39.2737 176.2665 158 K 4.1242 7.8270 122.6076 54.7472 31.0739 179.9517 159 A 4.1073 8.0384 121.2324 56.0631 19.2421 178.9715 *160 F 4.6048 7.8509 113.3482 57.5082 38.5085 178.4119 *161 Y 4.5024 7.8144 123.8604 59.9652 39.0460 180.6315 162 Q 4.4986 7.6002 123.6545 56.0500 28.8991 180.7601 163 Q 2.7150 9.1191 113.0638 57.3955 28.3325 171.0359 164 P 4.0599 0.0000 0.0000 67.5111 32.4872 180.3637 165 D 4.4850 8.0204 115.6146 55.9681 40.9115 179.5473 166 A 4.4637 7.6608 125.2811 50.8467 16.9073 178.3414 167 D 5.6722 8.1317 135.0000 54.0065 41.4611 179.7269 168 I 3.9586 7.1132 122.7474 61.4429 35.3159 180.4481 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 91 Q 8.34 4.29 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.23 2.37 0.00 92 A 8.20 4.53 1.28 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 0.00 0.00 0.00 93 D 7.84 4.65 0.00 2.67 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 94 R 8.08 4.06 0.00 1.75 1.96 0.00 3.23 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 95 L 7.84 4.64 0.00 1.65 1.65 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 96 T 7.67 4.31 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 1.21 0.00 0.00 97 Q 7.59 4.10 0.00 2.45 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.54 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 98 E 8.10 4.41 0.00 2.07 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 2.29 2.30 0.00 99 P 0.00 4.72 0.00 2.15 2.09 0.00 3.78 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 2.15 2.13 0.00 100 E 8.50 4.70 0.00 1.85 1.88 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 2.26 2.42 0.00 101 S 7.80 4.60 0.00 3.78 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 0.00 102 I 7.65 4.03 1.99 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.06 1.02 0.00 0.00 103 R 8.13 4.06 0.00 1.97 2.01 0.00 3.26 0.00 0.00 3.36 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.84 0.00 104 K 7.93 3.99 0.00 1.82 1.86 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.66 1.43 7.81 105 W 8.52 4.61 0.00 3.37 3.13 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 0.00 106 R 8.12 4.02 0.00 1.95 1.92 0.00 3.35 0.00 0.00 3.33 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.70 0.00 107 E 8.58 4.18 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 2.35 2.48 0.00 108 E 7.98 3.99 0.00 2.34 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 0.00 2.49 2.78 0.00 109 Q 8.06 4.06 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.74 0.00 0.00 0.00 0.00 0.00 2.27 2.22 0.00 110 R 7.34 4.40 0.00 1.73 2.03 0.00 3.05 0.00 0.00 3.32 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.55 0.00 111 K 7.57 4.39 0.00 1.97 2.01 0.00 1.83 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.40 1.52 7.81 112 R 7.16 4.52 0.00 1.95 1.11 0.00 3.62 0.00 0.00 3.15 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 113 L 9.66 3.23 0.00 1.69 1.59 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 114 Q 7.24 3.36 0.00 2.33 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.67 6.21 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 115 E 7.78 3.65 0.00 2.11 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 2.36 2.44 0.00 116 L 7.34 3.87 0.00 1.78 1.62 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 117 D 8.21 4.12 0.00 2.74 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 0.00 118 A 9.41 3.87 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 0.00 119 A 8.66 3.65 1.38 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 0.00 0.00 120 S 8.30 3.93 0.00 3.82 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 0.00 121 K 7.59 3.91 0.00 2.00 1.79 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.61 7.81 122 V 7.81 3.51 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 0.93 0.00 0.00 0.87 0.00 0.00 123 M 7.89 3.63 0.00 1.42 1.72 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 2.42 2.78 0.00 124 E 8.00 2.96 0.00 1.90 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 0.00 2.26 2.26 0.00 125 Q 7.54 3.97 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.69 0.00 0.00 0.00 0.00 0.00 2.32 2.45 0.00 126 E 7.59 4.13 0.00 2.00 1.69 0.00 0.00 0.00 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 2.33 0.00 127 W 8.07 4.44 0.00 3.52 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.16 4.17 0.00 2.12 2.14 0.00 3.26 0.00 0.00 3.52 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.43 0.00 129 E 8.57 4.10 0.00 2.18 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 2.63 2.38 0.00 130 K 8.03 3.98 0.00 2.03 1.93 0.00 1.80 0.00 0.00 1.89 0.00 0.00 3.18 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.57 1.55 7.81 131 A 8.38 4.76 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 0.00 132 K 8.16 4.09 0.00 2.05 2.10 0.00 1.36 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.66 1.50 7.81 133 K 7.83 3.95 0.00 2.00 1.89 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.49 1.64 7.81 134 D 8.38 5.18 0.00 2.94 2.93 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 0.00 135 L 7.83 3.93 0.00 2.06 1.88 0.79 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 136 E 9.02 4.18 0.00 2.06 2.03 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 2.38 2.60 0.00 137 E 8.23 3.96 0.00 2.30 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 2.36 2.42 0.00 138 W 8.79 4.42 0.00 3.32 3.29 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 0.00 139 N 8.36 4.06 0.00 2.87 3.08 0.00 0.00 7.40 6.50 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 0.00 140 Q 8.15 4.00 0.00 2.28 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.45 0.00 0.00 0.00 0.00 0.00 2.52 2.38 0.00 141 R 8.02 3.91 0.00 2.01 1.98 0.00 3.16 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 1.65 1.72 0.00 142 Q 8.39 3.86 0.00 1.81 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.34 0.00 0.00 0.00 0.00 0.00 2.07 1.84 0.00 143 S 7.75 3.84 0.00 3.95 3.81 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 0.00 144 E 7.98 3.96 0.00 1.99 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 2.39 2.38 0.00 145 Q 7.81 4.36 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.77 0.00 0.00 0.00 0.00 0.00 2.44 2.54 0.00 146 V 8.11 4.00 2.03 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 0.86 0.00 0.00 0.95 0.00 0.00 147 E 7.94 3.95 0.00 2.30 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 0.00 2.28 2.37 0.00 148 K 8.84 4.12 0.00 1.86 1.85 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.47 7.81 149 N 9.05 4.09 0.00 2.92 2.77 0.00 0.00 6.89 6.79 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 0.00 150 K 8.02 3.86 0.00 1.68 1.89 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.46 7.81 151 I 7.10 3.78 1.86 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 1.85 0.51 0.95 0.00 0.00 152 N 7.22 4.55 0.00 2.87 2.78 0.00 0.00 7.15 8.32 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 0.00 153 N 9.01 4.54 0.00 2.89 2.97 0.00 0.00 6.71 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 0.00 154 R 7.92 4.62 0.00 2.10 1.88 0.00 3.16 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.97 0.00 155 I 7.79 4.23 1.87 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 1.34 0.61 0.91 0.00 0.00 156 A 7.73 3.49 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 157 D 7.70 4.31 0.00 2.71 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 0.00 158 K 7.83 4.12 0.00 1.91 1.99 0.00 1.83 0.00 0.00 1.82 0.00 0.00 3.07 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.31 0.99 7.81 159 A 8.04 4.11 1.28 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 0.00 0.00 0.00 *160 F 7.85 4.60 0.00 2.30 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 0.00 0.00 0.00 *161 Y 7.81 4.50 0.00 2.21 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 0.00 0.00 0.00 0.00 162 Q 7.60 4.50 0.00 2.16 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.01 0.00 0.00 0.00 0.00 0.00 2.31 2.17 0.00 163 Q 9.12 2.72 0.00 2.14 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.90 0.00 0.00 0.00 0.00 0.00 2.21 1.91 0.00 164 P 0.00 4.06 0.00 2.07 1.94 0.00 3.71 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 1.96 1.64 0.00 165 D 8.02 4.49 0.00 2.60 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 0.00 166 A 7.66 4.46 1.38 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 0.00 0.00 167 D 8.13 5.67 0.00 2.82 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 0.00 168 I 7.11 3.96 1.87 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 1.16 1.09 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.