NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 77 A 4.4984 8.2644 122.4648 52.2665 20.6306 175.3575 78 R 4.3641 8.4937 118.0983 53.8378 33.9106 171.3579 79 P 4.7488 0.0000 0.0000 63.6913 32.5738 175.1557 80 T 4.4276 9.4195 123.3134 61.5420 71.1010 173.6166 81 V 4.5594 8.1443 126.5430 61.7269 32.9976 174.7664 82 F 4.9449 9.7338 126.7148 55.7532 41.7749 174.6169 83 R 5.1584 8.9568 121.6268 54.2568 33.3467 174.3990 84 W 4.5434 9.5437 135.0000 55.8901 32.0297 176.3210 85 T 4.4654 7.0345 115.4677 60.6028 68.5770 174.7247 86 G 3.0110 5.3800 109.0139 44.9476 0.0000 174.8936 87 G 3.8770 7.4246 107.7427 44.3336 0.0000 171.4313 88 G 3.8721 8.4562 103.9406 44.3735 0.0000 173.2616 89 K 4.4388 9.1181 118.2521 57.2352 33.6724 175.7494 90 E 4.5332 9.0295 121.7012 54.5651 31.7732 175.0019 91 V 4.4708 7.7251 124.4007 60.9537 33.6528 174.2231 92 Y 4.9448 9.0948 125.2847 56.1510 41.5813 174.1926 93 L 4.8832 9.1245 124.4689 53.7355 44.5776 175.2182 94 S 4.9101 8.2063 119.5209 55.9798 66.4919 172.7327 95 G 2.5089 7.6576 111.6377 44.7428 0.0000 174.3822 96 S 3.6045 7.5575 114.9445 60.3860 62.9132 175.9297 97 F 4.4052 6.4822 115.4639 58.4626 38.2302 175.4776 98 N 4.8828 7.0862 118.6433 52.2506 37.4791 173.6668 99 N 3.9460 8.9317 113.5733 55.3117 37.4393 173.5214 100 W 3.8688 7.4437 110.9828 57.1035 27.1589 175.0448 101 S 4.5282 7.9100 114.5020 58.1396 64.3774 173.5076 102 K 4.6385 8.2981 120.4190 54.9418 33.1591 175.9359 103 L 4.5065 9.0009 129.3177 53.2064 43.4353 175.0987 104 P 4.0118 0.0000 0.0000 62.7153 32.4225 175.2056 *106 T 4.0700 8.2819 115.3056 63.5891 69.3143 173.6937 107 R 3.7463 8.4638 127.3575 56.1134 30.5467 176.4533 108 S 4.2251 8.8257 121.0204 57.6510 63.9406 172.4869 109 Q 3.1822 9.0935 125.8905 57.5516 25.1785 174.6647 110 N 4.0808 8.1177 112.5656 53.2703 37.3161 174.4460 111 N 5.1271 7.8324 116.0023 51.6373 42.3850 173.3124 112 F 5.3394 9.1427 118.3367 55.8394 42.3753 175.1100 113 V 5.2999 9.2175 122.0209 60.1841 34.6047 174.7406 114 A 4.8416 9.3636 123.3796 50.4746 23.0286 174.7303 115 I 4.9373 8.4799 120.7604 59.2190 40.5173 174.5747 116 L 4.7716 9.1410 129.0551 52.9743 45.6989 175.8620 117 D 4.8636 8.7264 122.9037 53.6953 41.0060 175.4196 118 L 4.8028 8.3894 124.3543 51.7367 44.4141 175.0007 119 P 4.6918 0.0000 0.0000 62.3400 32.3054 175.5730 120 E 4.0428 8.7330 121.9412 57.8417 30.2767 175.4814 121 G 3.7725 8.7383 111.5801 44.1897 0.0000 171.2876 122 E 5.0932 8.5689 121.1252 55.3232 31.1638 176.5787 123 H 5.1024 9.2905 123.1094 54.3215 32.8342 172.4253 124 Q 5.3290 8.6580 122.6007 55.1851 31.1744 174.2731 125 Y 4.9167 8.6803 119.4255 56.6994 42.1479 172.6972 126 K 4.6838 9.3352 120.2506 55.8655 36.6195 173.8345 127 F 5.2860 9.1842 121.5824 55.5876 42.2553 175.0586 128 F 4.8026 9.1299 124.4713 56.5753 41.4116 174.1663 129 V 4.1503 8.2282 127.9329 60.7922 33.2640 175.5054 130 D 4.4396 9.5429 131.2379 55.4106 38.7712 175.0344 131 G 3.5913 7.7585 104.6382 44.9802 0.0000 173.1251 132 Q 4.3044 6.7447 118.9465 53.0257 31.3780 174.8135 133 W 4.8563 8.7893 123.0798 57.4067 29.8657 175.8432 134 T 4.8815 9.5709 121.6562 62.3130 72.3273 173.1821 135 H 5.4062 9.0729 121.6984 54.4320 31.4490 174.2910 136 D 4.9486 9.9237 120.3581 52.4552 40.9219 175.4335 137 P 4.6302 0.0000 0.0000 64.5595 31.6324 177.1687 138 S 4.4877 8.5897 113.2216 58.8460 63.6891 173.7397 139 E 4.8470 7.6791 119.8059 53.4918 32.2264 173.8259 140 P 4.6060 0.0000 0.0000 63.3227 32.3941 175.4767 141 I 5.1997 8.2825 115.4172 59.4745 41.0486 174.3196 142 V 4.7247 8.7768 116.0207 59.9750 36.5595 174.3191 143 T 4.8874 8.3170 112.0883 60.6420 70.3325 175.1298 144 S 4.4603 8.9356 119.6682 57.4611 64.1956 175.1727 145 Q 4.0233 8.3556 118.9050 58.5907 28.4076 177.8052 146 L 3.9049 7.6332 118.0321 56.0023 42.2802 177.4526 147 G 3.9011 8.2864 107.0189 45.4653 0.0000 173.6833 148 T 4.1383 7.1890 110.0679 61.1922 70.6706 173.7966 149 V 4.6294 8.0473 122.9301 61.8005 32.6225 174.6749 150 N 5.1907 8.8338 125.1813 51.1600 42.1588 174.1716 151 N 4.9717 8.5506 119.3679 53.5049 40.0244 173.8638 152 I 5.3190 8.3592 120.4097 59.6553 41.3156 174.5214 153 I 4.9179 9.3150 128.6025 59.7631 41.6467 174.0413 154 Q 4.9874 8.7812 123.9516 54.4839 30.4826 175.0801 155 V 4.2635 9.0305 125.5122 61.0331 33.1633 176.0534 156 K 4.1852 8.5798 126.4281 57.0939 32.8218 176.5530 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 77 A 8.26 4.50 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 78 R 8.49 4.36 0.00 1.84 1.69 0.00 3.09 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.65 0.00 79 P 0.00 4.75 0.00 1.94 1.99 0.00 3.65 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.23 0.00 80 T 9.42 4.43 4.12 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 0.70 0.00 0.00 81 V 8.14 4.56 2.00 0.00 0.00 0.00 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 0.90 0.00 0.00 82 F 9.73 4.94 0.00 3.10 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 83 R 8.96 5.16 0.00 1.73 1.87 0.00 3.22 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 84 W 9.54 4.54 0.00 2.85 2.95 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 85 T 7.03 4.47 4.05 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 1.11 0.00 0.00 86 G 5.38 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 0.00 0.00 0.00 87 G 7.42 3.88 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 0.00 0.00 0.00 88 G 8.46 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 89 K 9.12 4.44 0.00 1.78 2.02 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.44 7.81 90 E 9.03 4.53 0.00 1.90 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 0.00 2.22 2.25 0.00 91 V 7.73 4.47 0.68 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 0.37 0.00 0.00 -0.06 0.00 0.00 92 Y 9.09 4.94 0.00 2.90 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 93 L 9.12 4.88 0.00 1.76 1.50 0.58 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 94 S 8.21 4.91 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 95 G 7.66 2.51 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 0.00 0.00 0.00 0.00 96 S 7.56 3.60 0.00 3.92 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 97 F 6.48 4.41 0.00 3.04 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 98 N 7.09 4.88 0.00 2.90 3.10 0.00 0.00 6.03 6.96 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 99 N 8.93 3.95 0.00 2.78 2.87 0.00 0.00 7.23 7.95 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 0.00 100 W 7.44 3.87 0.00 3.47 3.34 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 0.00 101 S 7.91 4.53 0.00 3.82 3.76 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 0.00 102 K 8.30 4.64 0.00 1.21 1.26 0.00 1.02 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 0.72 0.96 7.81 103 L 9.00 4.51 0.00 1.76 1.74 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 104 P 0.00 4.01 0.00 1.95 1.89 0.00 3.82 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.26 0.00 *106 T 8.28 4.07 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 1.20 0.00 0.00 107 R 8.46 3.75 0.00 1.43 1.64 0.00 3.00 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.90 0.00 108 S 8.83 4.23 0.00 3.84 3.77 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 0.00 109 Q 9.09 3.18 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.16 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 110 N 8.12 4.08 0.00 2.94 2.96 0.00 0.00 6.21 8.04 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 0.00 111 N 7.83 5.13 0.00 2.77 2.76 0.00 0.00 6.64 8.92 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 0.00 112 F 9.14 5.34 0.00 3.19 3.04 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 0.00 113 V 9.22 5.30 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 0.75 0.00 0.00 1.05 0.00 0.00 114 A 9.36 4.84 1.30 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 0.00 0.00 0.00 115 I 8.48 4.94 1.90 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 1.34 1.14 0.92 0.00 0.00 116 L 9.14 4.77 0.00 1.50 1.28 0.27 0.74 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 0.00 117 D 8.73 4.86 0.00 2.52 2.62 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 0.00 118 L 8.39 4.80 0.00 1.45 1.30 0.64 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 119 P 0.00 4.69 0.00 2.12 2.08 0.00 3.78 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 2.12 2.02 0.00 120 E 8.73 4.04 0.00 2.02 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 2.32 0.00 121 G 8.74 3.77 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 0.00 0.00 0.00 122 E 8.57 5.09 0.00 2.01 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 2.30 2.56 0.00 123 H 9.29 5.10 0.00 3.36 3.55 0.00 5.65 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 Q 8.66 5.33 0.00 2.19 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.53 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 125 Y 8.68 4.92 0.00 3.05 3.04 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 0.00 126 K 9.34 4.68 0.00 2.12 2.25 0.00 1.95 0.00 0.00 1.78 0.00 0.00 3.23 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.92 1.84 7.81 127 F 9.18 5.29 0.00 2.73 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.13 4.80 0.00 2.36 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 0.00 129 V 8.23 4.15 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 0.78 0.00 0.00 -0.15 0.00 0.00 130 D 9.54 4.44 0.00 2.67 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 0.00 131 G 7.76 3.59 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 0.00 0.00 0.00 132 Q 6.74 4.30 0.00 1.97 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.93 0.00 0.00 0.00 0.00 0.00 2.09 2.34 0.00 133 W 8.79 4.86 0.00 3.24 3.23 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 0.00 134 T 9.57 4.88 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 1.35 0.00 0.00 135 H 9.07 5.41 0.00 3.43 3.41 0.00 5.51 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 D 9.92 4.95 0.00 3.20 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 0.00 137 P 0.00 4.63 0.00 2.28 2.25 0.00 3.86 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 138 S 8.59 4.49 0.00 4.00 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 0.00 139 E 7.68 4.85 0.00 2.19 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 2.54 2.63 0.00 140 P 0.00 4.61 0.00 2.15 2.04 0.00 3.66 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.16 0.00 141 I 8.28 5.20 1.86 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.67 1.02 0.00 0.00 142 V 8.78 4.72 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 0.77 0.00 0.00 0.96 0.00 0.00 143 T 8.32 4.89 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 1.17 0.00 0.00 144 S 8.94 4.46 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 0.00 145 Q 8.36 4.02 0.00 2.01 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.10 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 146 L 7.63 3.90 0.00 1.41 1.47 0.79 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 147 G 8.29 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 0.00 0.00 0.00 148 T 7.19 4.14 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 0.96 0.00 0.00 149 V 8.05 4.63 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 0.67 0.00 0.00 0.85 0.00 0.00 150 N 8.83 5.19 0.00 2.69 2.91 0.00 0.00 6.58 7.34 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 0.00 151 N 8.55 4.97 0.00 1.48 2.20 0.00 0.00 6.39 6.72 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 0.00 152 I 8.36 5.32 1.95 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.17 0.99 0.00 0.00 153 I 9.31 4.92 2.04 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.23 0.90 0.00 0.00 154 Q 8.78 4.99 0.00 1.96 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 155 V 9.03 4.26 2.31 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 1.01 0.00 0.00 0.96 0.00 0.00 156 K 8.58 4.19 0.00 1.91 1.78 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.42 7.81 * Residues marked with a * may have inaccurate shift predictions.