NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 3.6372 8.2827 119.1612 53.0416 41.1598 175.8783 2 N 3.6274 7.8452 116.1094 54.5087 38.7149 174.3597 3 Y 4.2155 8.1566 120.1835 60.6968 38.1176 178.1126 4 T 3.9245 8.0855 118.3499 66.6379 68.6574 176.8030 5 S 4.1531 7.9219 115.5646 61.5546 62.9387 176.2935 6 L 4.1357 7.8693 122.0966 57.4434 41.1923 179.5977 7 I 3.7419 7.7654 119.9379 64.5981 37.0852 177.9307 8 H 4.2448 8.2079 117.1844 59.1114 28.5834 177.7505 9 S 4.1429 8.5412 117.0062 61.9452 62.8694 177.0541 10 L 4.0657 8.1244 121.2317 57.5331 41.2505 179.8466 11 I 3.7130 8.0278 120.3238 64.2754 37.1190 177.6459 12 E 3.8814 8.5214 120.5337 59.6311 29.5968 178.4213 13 E 3.9778 8.3495 119.2530 59.4129 29.3442 178.9108 14 S 4.2705 7.7341 112.7709 60.8310 63.5007 176.4154 15 Q 4.0898 8.0160 122.1372 58.9868 28.5816 177.8461 16 N 4.2977 8.1045 117.3501 56.7445 38.5668 177.4154 17 Q 4.0106 7.9480 118.7845 59.1445 28.9516 178.8212 18 Q 4.0452 8.1059 120.2074 58.6014 29.0399 177.5353 19 E 4.0584 8.1312 120.6575 58.8160 29.6997 178.6482 20 K 4.0217 7.9666 118.2650 59.3952 32.2937 178.8479 21 N 4.4169 8.0515 116.6502 55.7883 38.4967 177.2219 22 E 3.8989 8.0746 120.5189 59.2917 29.7831 178.3971 23 Q 3.9467 8.1561 119.6620 59.4843 29.2137 178.2085 24 E 4.0981 8.4266 119.5576 58.6319 29.6322 178.6659 25 L 4.0706 7.7512 119.1583 57.5166 41.7646 178.8884 26 L 3.9861 8.5277 119.3411 58.0610 41.5141 179.4499 27 E 4.0260 8.2105 118.2486 59.5524 29.5056 179.5188 28 L 4.1990 7.9736 118.5335 57.6990 41.6057 179.0717 29 D 4.2822 8.2263 118.3454 56.7925 41.1176 177.9058 30 K 3.5813 7.9981 120.2948 59.5525 32.2677 178.8714 31 W 4.2365 7.8306 118.2710 59.4902 28.8713 178.5298 32 A 4.0482 8.0742 120.9130 55.0955 17.8134 179.7776 33 S 3.3786 7.7779 113.6801 61.3939 62.5869 176.9150 34 L 3.9866 7.5501 121.5309 57.4066 41.1191 179.2940 35 W 4.0424 7.8163 126.8670 60.5796 31.1384 177.3323 36 N 4.6558 8.4512 116.4724 56.4824 37.8166 177.5547 37 W 4.7000 8.1214 118.7928 60.0140 29.2281 178.1112 38 F 3.6352 8.1499 116.2063 60.6189 38.5404 175.4497 39 N 4.7005 8.2516 118.9990 53.5867 38.5466 175.2724 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 1 N 8.28 3.64 0.00 2.64 2.61 0.00 0.00 6.65 5.83 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 2 N 7.85 3.63 0.00 2.78 2.76 0.00 0.00 6.97 6.67 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 3 Y 8.16 4.22 0.00 3.25 3.25 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 4 T 8.09 3.92 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 1.24 0.00 0.00 5 S 7.92 4.15 0.00 4.04 4.11 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 6 L 7.87 4.14 0.00 2.02 1.78 1.05 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.77 3.74 2.03 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 1.53 0.77 0.86 0.00 0.00 8 H 8.21 4.24 0.00 3.30 3.34 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 8.54 4.14 0.00 4.02 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 10 L 8.12 4.07 0.00 1.85 1.73 0.93 0.64 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 11 I 8.03 3.71 1.94 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 1.43 0.93 0.94 0.00 0.00 12 E 8.52 3.88 0.00 2.00 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 2.32 2.34 0.00 13 E 8.35 3.98 0.00 2.09 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 2.32 2.34 0.00 14 S 7.73 4.27 0.00 4.10 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 0.00 15 Q 8.02 4.09 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 16 N 8.10 4.30 0.00 2.75 2.89 0.00 0.00 7.14 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 17 Q 7.95 4.01 0.00 2.36 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.48 2.52 0.00 18 Q 8.11 4.05 0.00 2.18 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 19 E 8.13 4.06 0.00 2.14 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 0.00 2.30 2.39 0.00 20 K 7.97 4.02 0.00 2.00 1.85 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.66 7.81 21 N 8.05 4.42 0.00 2.70 2.86 0.00 0.00 6.60 9.00 0.00 0.00 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 E 8.07 3.90 0.00 2.17 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 2.31 2.32 0.00 23 Q 8.16 3.95 0.00 2.39 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 24 E 8.43 4.10 0.00 2.10 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 0.00 2.32 2.36 0.00 25 L 7.75 4.07 0.00 1.98 1.69 0.92 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.53 3.99 0.00 1.64 1.73 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.21 4.03 0.00 2.07 2.14 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 2.57 2.56 0.00 28 L 7.97 4.20 0.00 1.89 1.74 0.93 0.74 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 29 D 8.23 4.28 0.00 2.77 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 30 K 8.00 3.58 0.00 1.72 1.85 0.00 1.44 0.00 0.00 1.50 0.00 0.00 2.83 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.62 1.15 7.81 31 W 7.83 4.24 0.00 3.55 3.43 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 32 A 8.07 4.05 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 33 S 7.78 3.38 0.00 3.63 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 34 L 7.55 3.99 0.00 1.69 1.77 -0.11 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 35 W 7.82 4.04 0.00 3.74 3.25 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 36 N 8.45 4.66 0.00 2.71 2.88 0.00 0.00 7.12 8.29 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 37 W 8.12 4.70 0.00 3.55 3.19 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 0.00 38 F 8.15 3.64 0.00 3.34 3.26 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 39 N 8.25 4.70 0.00 2.96 2.84 0.00 0.00 7.03 7.44 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