NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 T 4.3074 8.1631 112.9177 56.4290 71.7871 176.2116 9 G 3.8235 8.3437 110.5026 44.1988 0.0000 171.5983 10 T 4.4637 8.3559 120.8335 61.4062 71.3214 172.3736 11 S 4.1987 8.5801 121.6617 58.1935 63.2512 173.6669 12 E 4.2369 8.3357 125.6815 54.3646 30.4132 176.1311 *14 A 4.2072 8.3378 125.9201 51.3234 20.7137 177.3828 15 P 3.5697 0.0000 0.0000 65.5078 31.0084 178.3910 16 A 3.9124 7.8779 120.5397 54.9765 18.2845 179.6098 17 L 3.9385 7.7889 117.0005 57.9918 41.7273 179.6947 18 V 3.7965 8.1385 118.0572 66.0280 31.4742 177.9361 19 A 4.0230 8.4084 120.4771 55.1952 18.2552 179.4871 20 A 3.9548 8.3108 119.4583 54.9709 18.1433 178.8837 21 F 4.4220 7.9832 113.8199 57.9538 38.9376 176.5099 22 G 3.9398 8.0505 109.4550 44.8806 0.0000 174.9993 23 G 4.1218 8.7141 105.3706 44.8495 0.0000 174.9181 24 K 3.8858 8.6983 118.3810 59.3684 32.0813 179.1632 25 E 4.1093 8.1299 114.4675 57.9124 29.9166 176.6839 26 N 4.6049 8.3413 117.9993 53.8082 39.6915 173.8330 27 I 4.6590 7.4001 119.6908 60.6382 37.9927 175.2264 28 T 4.5256 8.3132 115.4575 62.0305 70.6979 174.1314 29 N 4.8453 7.6682 119.0148 52.4741 42.5029 172.8236 30 L 5.1930 8.4165 124.2747 53.0049 44.8519 175.3535 31 D 4.8751 9.0288 122.1046 52.7340 45.1646 173.7121 32 A 5.1692 8.4926 124.8117 49.6674 22.2234 175.6394 33 C 4.7218 8.8908 117.4144 60.2597 27.9861 175.9259 34 I 4.1925 8.5582 126.1291 62.9754 38.5906 175.7749 35 T 4.8194 7.8387 107.7287 61.0461 71.1949 174.0065 36 R 5.1819 8.0384 120.8413 54.2193 34.3120 174.2120 37 L 4.9345 9.3338 126.7754 54.1254 44.6855 175.8024 38 R 5.0689 9.5098 128.1390 55.1417 32.0766 171.4640 39 V 4.6169 8.6275 125.3716 60.0437 34.1027 174.6871 40 S 4.8331 8.7398 124.8340 58.2725 63.9872 173.8995 41 V 5.0173 8.5152 116.7762 59.6267 34.6524 175.8227 42 A 4.2045 8.9341 124.8867 54.2764 19.5640 177.5514 43 D 4.4575 7.9081 114.5635 52.6174 43.2478 175.7909 44 V 3.7321 8.5057 128.1176 65.7146 31.8062 177.9722 45 S 4.2778 8.4133 113.6867 60.2476 62.8180 175.0223 46 K 4.2371 7.7347 119.0581 56.8685 32.3647 176.8211 47 V 4.0056 7.5755 120.1766 62.2224 32.1219 175.5673 48 D 4.6258 8.8185 128.1803 52.7405 40.2160 176.3867 49 Q 3.9212 8.4590 124.9193 58.6028 28.9051 178.1800 50 A 4.0850 8.0540 121.3858 55.0326 18.5002 179.7426 51 G 3.5435 8.4798 104.3220 47.8814 0.0000 175.9735 52 L 4.0212 7.8669 121.3179 57.4783 41.5456 179.7482 53 K 4.1124 7.7632 119.3506 58.9048 31.7645 179.5793 54 K 3.9803 7.9259 117.6565 59.1705 32.0351 178.6072 55 L 4.3708 7.5813 116.9759 54.8447 41.8901 176.7261 56 G 3.8182 7.8634 106.5599 44.9530 0.0000 174.3092 57 A 3.2215 7.8177 124.0677 51.5337 18.5569 178.7566 58 A 3.9662 9.2124 125.5757 54.5821 19.1531 177.6770 59 G 3.9888 7.2340 99.6964 45.7614 0.0000 172.8168 60 V 4.9410 8.3496 120.1240 60.8572 34.6619 174.7279 61 V 4.4407 9.0461 127.5243 61.0373 34.6115 174.1658 62 V 4.5086 8.5264 127.7254 61.9906 32.4377 175.2213 63 A 4.4147 8.5406 130.7250 50.9790 21.2391 176.6076 64 G 3.8281 8.5067 114.3171 47.3028 0.0000 173.4754 65 S 4.5963 8.5225 114.4967 58.8067 63.7926 173.7997 66 G 4.5912 8.1445 106.9133 45.4372 0.0000 172.4341 67 V 5.0571 8.8133 119.5421 61.0911 34.9617 174.0351 68 Q 5.2616 9.4993 126.9599 54.1019 31.5533 174.3537 69 A 5.0621 9.3442 125.5629 50.1986 22.2552 175.2571 70 I 4.8525 8.6180 124.5480 59.7442 37.5872 176.0677 71 F 4.7655 8.6363 124.8577 56.1966 40.2811 177.4225 72 G 3.8922 8.0784 110.1231 46.6728 0.0000 176.2497 73 T 4.1799 8.5971 110.8412 63.7507 69.2081 176.2985 74 K 4.1904 8.0093 122.1809 58.2553 32.0383 178.8598 75 S 4.1518 7.9750 116.4151 62.0140 62.9302 176.1873 76 D 4.3108 8.1685 119.6813 57.5022 40.9216 177.8008 77 N 4.3143 8.0448 116.9515 56.6273 38.8586 176.7638 78 L 3.9065 7.7667 119.4702 57.3747 41.7084 178.9448 79 K 3.9879 7.9413 118.8207 60.0025 32.4591 178.5448 80 T 4.0732 7.7411 115.4525 66.5297 68.3034 177.3949 81 E 4.1854 8.0262 118.8077 56.6177 29.3088 178.5706 *83 D 4.4557 8.2315 122.6143 55.0389 43.2335 177.7734 84 E 3.9890 8.3092 118.2219 61.4550 29.3915 180.3329 85 Y 4.3711 8.0369 119.6331 60.5450 38.9175 177.8217 86 I 3.4264 7.5332 119.4308 64.1053 37.3176 178.3093 87 R 4.0400 8.0471 120.6046 59.8303 30.1822 177.1063 88 N 4.5339 8.1377 118.9759 52.4536 37.6969 176.8004 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 8 T 8.16 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 9 G 8.34 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 10 T 8.36 4.46 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 1.22 0.00 0.00 11 S 8.58 4.20 0.00 3.80 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 12 E 8.34 4.24 0.00 1.92 1.74 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 2.39 2.16 0.00 *14 A 8.34 4.21 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 15 P 0.00 3.57 0.00 1.96 1.29 0.00 3.38 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.71 0.00 16 A 7.88 3.91 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 17 L 7.79 3.94 0.00 1.90 1.93 0.72 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 18 V 8.14 3.80 2.36 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 1.29 0.00 0.00 1.24 0.00 0.00 19 A 8.41 4.02 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 20 A 8.31 3.95 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 21 F 7.98 4.42 0.00 3.33 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 22 G 8.05 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 23 G 8.71 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 0.00 0.00 0.00 0.00 24 K 8.70 3.89 0.00 1.81 1.84 0.00 1.47 0.00 0.00 1.48 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.43 7.81 25 E 8.13 4.11 0.00 2.08 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 2.29 2.31 0.00 26 N 8.34 4.60 0.00 2.95 2.98 0.00 0.00 6.97 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 27 I 7.40 4.66 1.86 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 1.33 0.90 0.84 0.00 0.00 28 T 8.31 4.53 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 29 N 7.67 4.85 0.00 2.73 2.60 0.00 0.00 6.99 6.66 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 30 L 8.42 5.19 0.00 1.47 1.46 0.88 0.77 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 31 D 9.03 4.88 0.00 2.69 2.41 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 32 A 8.49 5.17 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 C 8.89 4.72 0.00 2.97 2.37 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 34 I 8.56 4.19 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 1.49 0.83 0.93 0.00 0.00 35 T 7.84 4.82 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 1.23 0.00 0.00 36 R 8.04 5.18 0.00 1.78 1.87 0.00 3.25 0.00 0.00 3.28 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 37 L 9.33 4.93 0.00 1.91 1.96 0.90 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 38 R 9.51 5.07 0.00 1.47 1.78 0.00 3.26 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.41 0.00 39 V 8.63 4.62 1.40 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 0.52 0.00 0.00 0.00 0.00 0.00 40 S 8.74 4.83 0.00 3.88 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 41 V 8.52 5.02 2.35 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 0.73 0.00 0.00 1.01 0.00 0.00 42 A 8.93 4.20 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 43 D 7.91 4.46 0.00 2.64 2.52 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 0.00 0.00 0.00 44 V 8.51 3.73 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 0.99 0.00 0.00 0.97 0.00 0.00 45 S 8.41 4.28 0.00 4.02 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 46 K 7.73 4.24 0.00 2.15 1.93 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.54 7.81 47 V 7.58 4.01 2.23 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 0.72 0.00 0.00 1.09 0.00 0.00 48 D 8.82 4.63 0.00 2.66 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 49 Q 8.46 3.92 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 50 A 8.05 4.08 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 51 G 8.48 3.54 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 0.00 0.00 0.00 52 L 7.87 4.02 0.00 1.75 1.62 0.42 0.19 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 53 K 7.76 4.11 0.00 1.94 1.79 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.39 7.81 54 K 7.93 3.98 0.00 1.91 1.87 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.69 1.61 7.81 55 L 7.58 4.37 0.00 1.99 1.86 0.92 0.98 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 56 G 7.86 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 57 A 7.82 3.22 0.63 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 0.00 0.00 58 A 9.21 3.97 1.24 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 0.00 0.00 0.00 59 G 7.23 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 60 V 8.35 4.94 2.04 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 0.82 0.00 0.00 0.83 0.00 0.00 61 V 9.05 4.44 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 0.81 0.00 0.00 0.93 0.00 0.00 62 V 8.53 4.51 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 0.89 0.00 0.00 0.96 0.00 0.00 63 A 8.54 4.41 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 64 G 8.51 3.83 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 0.00 0.00 0.00 65 S 8.52 4.60 0.00 4.02 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 66 G 8.14 4.59 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 67 V 8.81 5.06 2.35 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 1.29 0.00 0.00 1.05 0.00 0.00 68 Q 9.50 5.26 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.53 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 69 A 9.34 5.06 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 70 I 8.62 4.85 1.79 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.88 0.97 0.00 0.00 71 F 8.64 4.77 0.00 3.31 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 72 G 8.08 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 0.00 0.00 0.00 73 T 8.60 4.18 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 1.23 0.00 0.00 74 K 8.01 4.19 0.00 1.99 1.89 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.53 7.81 75 S 7.97 4.15 0.00 3.98 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 76 D 8.17 4.31 0.00 2.79 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 77 N 8.04 4.31 0.00 2.79 2.87 0.00 0.00 7.21 6.66 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 78 L 7.77 3.91 0.00 1.61 1.49 0.11 0.60 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 79 K 7.94 3.99 0.00 1.87 1.99 0.00 1.93 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.46 7.81 80 T 7.74 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 1.21 0.00 0.00 81 E 8.03 4.19 0.00 2.15 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 2.32 2.49 0.00 *83 D 8.23 4.46 0.00 2.76 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 84 E 8.31 3.99 0.00 2.03 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 2.25 2.20 0.00 85 Y 8.04 4.37 0.00 2.91 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 86 I 7.53 3.43 1.93 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 1.55 0.65 0.82 0.00 0.00 87 R 8.05 4.04 0.00 1.74 1.94 0.00 3.29 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.88 0.00 88 N 8.14 4.53 0.00 2.73 2.58 0.00 0.00 7.03 8.07 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 * Residues marked with a * may have inaccurate shift predictions.