NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.3068 8.1733 122.0448 56.0248 33.9380 174.6553 4 R 4.4159 8.6228 127.0113 55.9013 30.7828 174.1823 5 A 4.7916 10.1443 125.8826 50.5336 24.2568 173.7189 6 N 5.0028 8.2246 116.1187 51.8315 40.7092 174.7968 7 K 4.6720 9.2080 126.7034 54.9270 33.1483 174.5726 8 L 4.6322 9.0245 131.3472 54.3235 43.6117 175.3567 9 V 4.6891 8.7907 126.3632 60.9947 34.3208 174.0361 10 I 4.9001 8.6164 128.2752 59.6157 40.0910 174.4643 11 V 4.8401 8.7257 127.8703 61.5855 33.9223 174.5954 12 T 5.1057 8.5590 121.5379 61.2319 71.4674 172.1062 13 E 4.4175 8.7623 120.9270 55.8057 30.3598 178.0156 14 K 3.8639 8.8139 123.7800 59.6552 32.3954 179.0972 15 V 3.6153 7.8361 110.8892 64.1810 31.7098 177.1595 16 L 4.0681 7.8605 118.2843 54.2805 41.2864 177.9664 17 L 4.2216 8.0499 125.3594 59.1622 41.9744 179.9603 18 K 4.0928 8.1091 125.2159 60.2694 31.6317 181.6557 19 K 4.1617 7.8027 124.7032 59.6847 31.7443 181.1681 20 V 3.5574 8.0010 120.1260 65.4272 31.3554 177.9032 21 A 3.4996 8.1332 123.1822 55.5138 18.1373 180.3715 22 K 3.9251 7.9658 122.1441 59.9277 31.7504 181.4938 23 I 3.8366 7.4131 120.8998 64.1534 37.1231 178.5927 24 I 3.5691 7.5334 122.9711 64.9422 36.9209 178.9356 25 E 4.0090 7.9908 118.9059 61.3821 29.4004 180.9793 26 E 4.2414 8.3605 118.4419 58.6425 29.5448 178.8262 27 A 4.1945 7.7811 119.7692 53.1702 18.4741 178.2265 28 G 3.8856 7.7563 105.3539 45.0277 0.0000 173.6439 29 A 4.1159 7.5368 122.5383 52.1869 18.6843 179.0608 30 T 4.0487 8.6781 112.9355 63.8386 69.3927 174.3757 31 G 4.0349 7.6146 108.8511 45.6319 0.0000 171.2764 32 Y 4.9796 7.7905 115.1894 56.5665 40.3759 173.7480 33 T 4.7738 8.9534 117.9700 62.0340 71.5439 174.0863 34 V 4.7286 8.0659 123.0455 60.1953 34.3845 174.5463 35 V 4.4939 8.4766 123.4456 61.0014 35.3951 173.8142 36 D 5.2151 8.5938 125.2859 54.0364 41.7067 175.8816 37 T 4.6618 8.6612 112.0760 60.2823 72.3538 173.6938 38 G 4.1387 9.2672 111.8328 44.4831 0.0000 173.9314 39 G 4.7627 8.6189 116.9941 47.0847 0.0000 172.3383 *59 N 4.8435 7.2118 117.3442 52.6004 40.7957 173.4029 60 V 4.8766 8.8855 118.7509 59.8500 35.3480 174.5289 61 K 4.9839 9.0476 124.2832 54.8761 34.7533 174.6969 62 F 5.2847 9.3667 127.1381 56.4438 41.2420 174.8711 63 E 5.2379 9.3135 121.4848 54.6435 33.3044 175.0486 64 V 4.6719 8.9315 123.9262 61.1731 35.0817 173.9686 65 L 5.0318 8.7707 128.5324 54.2247 40.8516 176.3934 66 T 4.3783 8.8764 117.6845 60.8329 70.9133 176.0994 67 E 3.7899 9.1064 118.9406 58.3892 29.9568 177.9950 68 N 5.1893 7.4910 113.8831 50.1305 40.9856 174.4227 69 R 3.9385 8.7357 119.7729 60.3781 30.2336 178.9534 70 E 3.9216 7.5998 111.0560 57.0616 30.3189 180.2064 *72 A 4.3040 8.1280 123.9536 53.3000 20.5268 179.9161 73 E 4.0577 8.5711 118.1361 59.8312 29.3879 180.3818 74 K 3.9420 8.2639 124.0379 59.8686 31.8249 181.6561 75 I 3.8024 7.6655 120.7265 63.9641 37.0281 178.2702 76 A 3.8747 7.8718 121.5452 55.2048 18.1469 179.3982 77 D 4.1977 8.2124 117.5556 57.5345 40.8599 179.0570 78 Q 3.8316 7.8954 118.3871 58.8900 28.7068 179.0247 79 V 3.5591 7.6260 118.7996 65.9146 31.5299 177.7682 80 A 2.6201 7.5412 120.2107 54.8994 18.0106 179.5402 81 I 3.6515 7.6614 119.5233 65.2074 37.2854 179.2749 82 K 3.8965 7.7797 123.1950 58.5285 31.7807 179.4563 83 F 5.4670 8.1801 115.4550 57.6827 41.1246 176.6022 84 F 5.0982 9.0449 117.7617 58.0848 38.9114 176.2544 85 T 4.3218 8.0583 110.7846 63.0524 69.4319 175.3442 86 D 4.6335 8.2459 119.7241 54.5472 41.9535 175.6765 87 Y 4.7581 8.5531 116.1293 55.6631 41.6656 174.5534 88 A 4.0867 8.7722 125.3134 51.5296 19.3840 177.3745 89 G 3.7776 7.1536 108.0421 46.1669 0.0000 171.9552 90 I 5.0521 8.2664 119.7107 59.3912 42.0626 173.8951 91 I 5.3478 8.5407 126.8875 59.9774 40.9652 173.9878 92 Y 5.0561 8.7608 123.2855 55.9001 41.8661 173.5442 93 I 5.1106 8.5498 120.2241 59.8412 40.3425 174.8567 94 C 5.0694 9.0261 122.9737 57.8155 31.9664 173.1913 95 E 4.7096 8.8605 121.6356 56.2980 30.0594 176.0736 96 A 4.7840 9.0314 125.0592 50.0119 23.0693 174.4983 97 E 4.9011 8.6943 121.3459 54.2404 31.4578 175.5544 98 V 3.7893 8.6492 128.8985 62.9452 31.5599 175.6216 99 L 4.2041 8.6843 127.5615 56.3363 42.6714 176.1693 100 Y 4.7276 7.7518 112.6460 56.7262 42.1202 175.2069 101 G 4.0998 9.0800 109.1411 46.1002 0.0000 173.8782 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 3 K 8.17 4.31 0.00 1.92 1.73 0.00 1.80 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.05 7.81 4 R 8.62 4.42 0.00 2.08 1.86 0.00 3.32 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.27 0.00 5 A 10.14 4.79 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 6 N 8.22 5.00 0.00 2.75 2.76 0.00 0.00 6.99 8.13 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 7 K 9.21 4.67 0.00 1.81 1.91 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.40 7.81 8 L 9.02 4.63 0.00 1.75 1.60 0.93 0.71 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 9 V 8.79 4.69 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 0.64 0.00 0.00 0.79 0.00 0.00 10 I 8.62 4.90 1.96 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.62 1.01 0.00 0.00 11 V 8.73 4.84 2.18 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 1.06 0.00 0.00 1.03 0.00 0.00 12 T 8.56 5.11 4.42 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 1.28 0.00 0.00 13 E 8.76 4.42 0.00 2.14 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 2.45 2.54 0.00 14 K 8.81 3.86 0.00 1.77 1.82 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.45 7.81 15 V 7.84 3.62 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 0.99 0.00 0.00 16 L 7.86 4.07 0.00 1.51 1.09 0.16 -1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.05 4.22 0.00 1.91 1.70 0.87 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.11 4.09 0.00 1.80 1.80 0.00 1.85 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.44 1.07 7.81 19 K 7.80 4.16 0.00 1.75 1.85 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.06 7.81 20 V 8.00 3.56 1.57 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 0.15 0.00 0.00 0.72 0.00 0.00 21 A 8.13 3.50 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.97 3.93 0.00 1.80 1.83 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.36 7.81 23 I 7.41 3.84 1.88 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.57 0.80 0.00 0.00 24 I 7.53 3.57 1.50 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.83 0.78 0.00 0.00 25 E 7.99 4.01 0.00 1.99 1.96 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 2.24 2.23 0.00 26 E 8.36 4.24 0.00 1.93 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 2.33 2.37 0.00 27 A 7.78 4.19 1.33 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 0.00 0.00 28 G 7.76 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 29 A 7.54 4.12 1.33 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 0.00 0.00 30 T 8.68 4.05 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 31 G 7.61 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 32 Y 7.79 4.98 0.00 3.17 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 33 T 8.95 4.77 4.28 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 1.20 0.00 0.00 34 V 8.07 4.73 1.86 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 0.68 0.00 0.00 0.17 0.00 0.00 35 V 8.48 4.49 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 0.86 0.00 0.00 0.90 0.00 0.00 36 D 8.59 5.22 0.00 2.55 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.66 4.66 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 1.20 0.00 0.00 38 G 9.27 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 0.00 0.00 0.00 39 G 8.62 4.76 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 0.00 0.00 0.00 *59 N 7.21 4.84 0.00 2.86 2.92 0.00 0.00 6.54 7.68 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 60 V 8.89 4.88 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 0.82 0.00 0.00 0.57 0.00 0.00 61 K 9.05 4.98 0.00 1.76 1.64 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.32 1.39 7.81 62 F 9.37 5.28 0.00 3.01 2.94 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 63 E 9.31 5.24 0.00 1.92 1.84 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 2.22 2.24 0.00 64 V 8.93 4.67 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 0.98 0.00 0.00 0.99 0.00 0.00 65 L 8.77 5.03 0.00 1.60 1.63 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.88 4.38 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 67 E 9.11 3.79 0.00 2.01 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 2.23 1.88 0.00 68 N 7.49 5.19 0.00 2.74 2.80 0.00 0.00 5.95 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 69 R 8.74 3.94 0.00 1.91 1.96 0.00 3.26 0.00 0.00 3.38 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.83 0.00 70 E 7.60 3.92 0.00 1.97 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 2.25 2.16 0.00 *72 A 8.13 4.30 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 73 E 8.57 4.06 0.00 1.99 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 2.32 2.55 0.00 74 K 8.26 3.94 0.00 1.75 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.35 7.81 75 I 7.67 3.80 1.92 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.67 0.76 0.00 0.00 76 A 7.87 3.87 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 77 D 8.21 4.20 0.00 2.76 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 78 Q 7.90 3.83 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.48 0.00 79 V 7.63 3.56 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 0.81 0.00 0.00 0.83 0.00 0.00 80 A 7.54 2.62 1.06 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 0.00 0.00 81 I 7.66 3.65 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.64 0.83 0.00 0.00 82 K 7.78 3.90 0.00 1.86 1.72 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.35 7.81 83 F 8.18 5.47 0.00 3.32 3.11 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 0.00 0.00 0.00 0.00 84 F 9.04 5.10 0.00 3.01 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 85 T 8.06 4.32 4.28 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 1.26 0.00 0.00 86 D 8.25 4.63 0.00 2.87 2.40 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 0.00 87 Y 8.55 4.76 0.00 3.27 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 88 A 8.77 4.09 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 89 G 7.15 3.78 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 0.00 0.00 0.00 90 I 8.27 5.05 1.93 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 1.08 0.00 0.00 91 I 8.54 5.35 1.98 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.13 0.91 0.00 0.00 92 Y 8.76 5.06 0.00 2.93 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.55 5.11 1.93 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 1.36 0.72 1.03 0.00 0.00 94 C 9.03 5.07 0.00 2.92 2.85 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 95 E 8.86 4.71 0.00 2.13 1.90 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 2.31 1.89 0.00 96 A 9.03 4.78 1.22 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 97 E 8.69 4.90 0.00 1.95 1.85 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 2.15 2.24 0.00 98 V 8.65 3.79 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 0.83 0.00 0.00 0.94 0.00 0.00 99 L 8.68 4.20 0.00 1.68 1.56 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 100 Y 7.75 4.73 0.00 2.91 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 0.00 101 G 9.08 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 * Residues marked with a * may have inaccurate shift predictions.