#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sm7 n PRO 2 N 0.00 1.86 0.02 -1.09 -0.04 -1.26 -4.44 135.00 130.06 1sm7 n PRO 2 Ca 0.00 0.00 0.22 0.00 -0.04 0.00 0.00 63.50 63.68 1sm7 n PRO 2 Cb 0.00 0.00 0.68 0.00 -0.04 0.00 0.00 33.50 34.14 1sm7 n PRO 2 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1sm7 h GLN 3 N 0.00 0.00 -1.16 0.54 5.75 -2.02 0.49 115.11 118.70 1sm7 h GLN 3 Ca 0.00 0.00 0.33 0.00 -0.15 0.00 0.00 58.65 58.83 1sm7 h GLN 3 Cb 0.00 0.00 -0.08 0.00 1.07 0.00 0.00 27.48 28.47 1sm7 h GLN 3 CO 0.00 0.00 0.79 -0.22 -2.65 0.00 0.00 178.83 176.75 1sm7 h LYS 4 N 0.00 0.18 -0.60 1.69 3.11 -1.97 -1.17 116.57 117.81 1sm7 h LYS 4 Ca 0.26 -0.01 0.09 0.00 -2.81 0.00 0.00 60.65 58.19 1sm7 h LYS 4 Cb 1.52 -0.04 -0.07 0.00 -1.00 0.00 0.00 32.23 32.64 1sm7 h LYS 4 CO -0.00 0.12 0.21 0.00 -2.81 0.00 0.00 179.45 176.97 1sm7 h GLN 6 N 0.39 0.00 0.00 0.00 1.08 -1.32 0.28 115.11 115.53 1sm7 h GLN 6 Ca 0.30 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.50 1sm7 h GLN 6 Cb 0.38 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.81 1sm7 h GLN 6 CO -0.31 0.00 -0.76 -2.13 -0.95 0.00 0.00 178.83 174.68 1sm7 n ARG 7 N -3.24 2.16 -0.01 1.46 0.63 -0.19 -4.45 116.66 113.02 1sm7 n ARG 7 Ca 0.02 -0.01 -0.05 0.00 -0.92 0.00 0.00 57.85 56.88 1sm7 n ARG 7 Cb 0.49 -1.18 -0.12 0.00 0.45 0.00 0.00 32.46 32.09 1sm7 n ARG 7 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1sm7 n GLU 8 N -1.39 0.63 -0.11 -0.14 1.02 0.14 -2.29 120.64 118.50 1sm7 n GLU 8 Ca 0.02 0.23 -0.12 0.00 -0.02 0.00 0.00 57.16 57.27 1sm7 n GLU 8 Cb 0.23 -1.76 -0.03 0.00 -0.02 0.00 0.00 31.44 29.86 1sm7 n GLU 8 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1sm7 h PHE 9 N 0.00 0.79 0.00 -0.32 3.04 -0.78 -3.12 116.94 116.55 1sm7 h PHE 9 Ca -0.27 -0.20 0.00 0.00 3.98 0.00 0.00 57.97 61.48 1sm7 h PHE 9 Cb 1.87 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 40.20 1sm7 h PHE 9 CO 0.00 0.90 -1.17 0.94 -2.02 0.00 0.00 178.31 176.97 1sm7 n GLN 10 N -4.35 0.42 -0.35 1.11 7.27 -1.26 -1.90 117.38 118.32 1sm7 n GLN 10 Ca -0.03 -0.00 0.04 0.00 0.07 0.00 0.00 57.00 57.08 1sm7 n GLN 10 Cb 0.39 -1.64 0.12 0.00 2.41 0.00 0.00 30.24 31.53 1sm7 n GLN 10 CO 0.00 0.00 0.00 0.37 0.07 0.00 0.00 177.06 177.50 1sm7 h GLN 11 N 0.00 -0.00 0.00 3.69 4.15 -1.38 -3.40 115.11 118.16 1sm7 h GLN 11 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1sm7 h GLN 11 Cb 0.83 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.52 1sm7 h GLN 11 CO 0.00 -0.00 0.00 -0.85 -1.93 0.00 0.00 178.83 176.05 1sm7 n GLU 12 N -5.59 0.00 -2.69 1.69 0.28 -1.26 -5.04 120.64 108.02 1sm7 n GLU 12 Ca 0.14 0.00 -0.07 0.00 -0.16 0.00 0.00 57.16 57.08 1sm7 n GLU 12 Cb 0.47 0.00 0.08 0.00 1.43 0.00 0.00 31.44 33.42 1sm7 n GLU 12 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 1sm7 n GLN 13 N 0.00 1.24 0.00 3.44 7.27 -1.17 -5.12 117.38 123.04 1sm7 n GLN 13 Ca 0.00 -2.45 0.00 0.00 0.07 0.00 0.00 57.00 54.62 1sm7 n GLN 13 Cb 0.00 -0.59 0.00 0.00 2.41 0.00 0.00 30.24 32.06 1sm7 n GLN 13 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 1sm7 n HIS 14 N -0.50 -0.36 -4.18 3.69 8.25 -0.80 -4.76 115.22 116.56 1sm7 n HIS 14 Ca 0.01 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.23 1sm7 n HIS 14 Cb 0.84 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.88 1sm7 n HIS 14 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1sm7 s LEU 15 N 0.00 3.18 0.00 2.41 1.43 -1.26 -5.02 118.68 119.42 1sm7 s LEU 15 Ca 0.00 -0.83 0.00 0.00 -1.03 0.00 0.00 54.13 52.27 1sm7 s LEU 15 Cb 0.00 -1.63 0.00 0.00 0.03 0.00 0.00 46.19 44.59 1sm7 s LEU 15 CO 0.00 -0.26 0.00 0.54 0.23 0.00 0.00 176.35 176.86 1sm7 n ARG 16 N -1.08 0.00 -0.21 1.70 5.12 -1.26 -4.73 116.66 116.20 1sm7 n ARG 16 Ca -0.04 0.00 -0.03 0.00 -1.93 0.00 0.00 57.85 55.86 1sm7 n ARG 16 Cb 0.61 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 31.90 1sm7 n ARG 16 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1sm7 n ALA 17 N -3.00 -0.18 0.01 7.54 0.00 -1.26 0.15 120.51 123.77 1sm7 n ALA 17 Ca 0.00 0.48 -0.15 0.00 0.00 0.00 0.00 53.44 53.77 1sm7 n ALA 17 Cb 0.00 -0.16 -0.10 0.00 0.00 0.00 0.00 19.45 19.19 1sm7 n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sm7 n GLN 19 N -5.36 0.97 0.00 0.00 -0.00 0.12 -3.97 117.38 109.14 1sm7 n GLN 19 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.94 1sm7 n GLN 19 Cb 0.38 -1.01 0.00 0.00 -0.00 0.00 0.00 30.24 29.60 1sm7 n GLN 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1sm7 n GLN 20 N 0.71 0.00 -0.09 2.61 1.13 0.31 -4.70 117.38 117.35 1sm7 n GLN 20 Ca 0.00 0.00 0.21 0.00 -1.94 0.00 0.00 57.00 55.27 1sm7 n GLN 20 Cb 0.49 -0.09 0.64 0.00 0.11 0.00 0.00 30.24 31.39 1sm7 n GLN 20 CO 0.00 0.00 0.00 0.11 -1.44 0.00 0.00 177.06 175.73 1sm7 h TRP 21 N 0.00 0.14 0.00 1.08 5.08 -0.05 0.62 115.95 122.83 1sm7 h TRP 21 Ca 0.00 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 59.95 1sm7 h TRP 21 Cb 0.02 -0.04 -0.00 0.00 -3.00 0.00 0.00 29.16 26.13 1sm7 h TRP 21 CO 0.00 0.05 -0.11 0.82 -1.28 0.00 0.00 178.44 177.92 1sm7 h ILE 22 N 0.12 0.40 -0.00 0.12 2.04 -1.79 -1.53 117.51 116.86 1sm7 h ILE 22 Ca 0.33 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.59 1sm7 h ILE 22 Cb 1.13 1.43 0.00 0.00 -0.74 0.00 0.00 36.82 38.64 1sm7 h ILE 22 CO -0.04 0.10 -0.91 0.54 0.00 0.00 0.00 178.15 177.85 1sm7 n ARG 23 N -3.42 0.15 0.00 2.37 5.12 0.20 -4.10 116.66 116.98 1sm7 n ARG 23 Ca -0.01 -0.12 0.10 0.00 -1.93 0.00 0.00 57.85 55.89 1sm7 n ARG 23 Cb 0.27 -1.50 0.57 0.00 -1.16 0.00 0.00 32.46 30.64 1sm7 n ARG 23 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1sm7 n GLN 24 N -1.32 0.49 0.06 5.56 3.00 -0.07 -2.61 117.38 122.50 1sm7 n GLN 24 Ca 0.05 0.04 0.11 0.00 -0.01 0.00 0.00 57.00 57.19 1sm7 n GLN 24 Cb 0.35 -1.50 0.44 0.00 0.00 0.00 0.00 30.24 29.53 1sm7 n GLN 24 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1sm7 n GLN 25 N -1.12 0.11 -4.38 -1.09 1.13 -1.24 -4.33 117.38 106.45 1sm7 n GLN 25 Ca 0.13 0.27 -0.26 0.00 -1.94 0.00 0.00 57.00 55.20 1sm7 n GLN 25 Cb 0.11 -1.69 -0.11 0.00 0.11 0.00 0.00 30.24 28.67 1sm7 n GLN 25 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1sm7 s LEU 26 N -3.79 2.66 0.58 1.08 1.02 -1.07 -5.01 118.68 114.14 1sm7 s LEU 26 Ca 0.08 -0.79 0.30 0.00 0.02 0.00 0.00 54.13 53.73 1sm7 s LEU 26 Cb 0.11 -1.33 1.44 0.00 0.02 0.00 0.00 46.19 46.43 1sm7 s LEU 26 CO 0.41 0.10 1.84 0.00 0.02 0.00 0.00 176.35 178.71 1sm7 h ALA 27 N 2.90 2.47 -2.30 4.21 0.00 -1.86 -3.40 119.26 121.28 1sm7 h ALA 27 Ca -0.45 -0.02 -0.54 0.00 0.00 0.00 0.00 54.91 53.89 1sm7 h ALA 27 Cb 1.22 0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.07 1sm7 h ALA 27 CO 0.52 -0.95 1.20 0.20 0.00 0.00 0.00 179.25 180.23 1sm7 s GLY 28 N -3.87 1.42 0.00 0.00 0.00 -1.26 -4.73 107.32 98.89 1sm7 s GLY 28 Ca -0.04 1.17 0.00 0.00 0.00 0.00 0.00 44.72 45.85 1sm7 s GLY 28 CO 0.62 3.36 0.00 -1.26 0.00 0.00 0.00 173.10 175.81 1sm7 n SER 29 N 7.65 0.00 -4.30 1.64 2.88 -1.26 -4.47 113.62 115.76 1sm7 n SER 29 Ca 0.20 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.44 1sm7 n SER 29 Cb 0.42 0.00 0.17 0.00 -0.75 0.00 0.00 64.21 64.05 1sm7 n SER 29 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1sm7 s PRO 30 N -1.82 0.77 0.00 -1.46 0.04 -1.26 -4.84 135.00 126.43 1sm7 s PRO 30 Ca 0.00 -0.24 0.00 0.00 0.04 0.00 0.00 61.00 60.80 1sm7 s PRO 30 Cb 0.00 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.70 1sm7 s PRO 30 CO 0.00 -2.35 0.00 1.97 0.04 0.00 0.00 177.00 176.66 1sm7 n PHE 31 N -3.77 0.00 0.00 0.56 1.16 -1.26 -3.12 117.46 111.04 1sm7 n PHE 31 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.71 1sm7 n PHE 31 Cb 0.60 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.47 1sm7 n PHE 31 CO 0.00 0.00 0.00 0.43 -1.87 0.00 0.00 176.76 175.32 1sm7 n SER 32 N 0.00 0.00 0.00 5.98 7.64 -1.26 -5.02 113.62 120.96 1sm7 n SER 32 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1sm7 n SER 32 Cb 0.00 0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 1sm7 n SER 32 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1sm7 n GLU 33 N -1.91 0.00 -0.46 1.43 4.71 -1.26 -5.02 120.64 118.13 1sm7 n GLU 33 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 57.16 56.86 1sm7 n GLU 33 Cb 0.00 -0.02 0.24 0.00 -1.01 0.00 0.00 31.44 30.66 1sm7 n GLU 33 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 1sm7 n ASN 34 N -0.31 -2.60 -3.01 1.62 5.15 -1.26 -4.82 115.26 110.03 1sm7 n ASN 34 Ca 0.00 -0.35 -0.26 0.00 -0.60 0.00 0.00 54.58 53.37 1sm7 n ASN 34 Cb 0.00 -1.09 -0.04 0.00 -0.53 0.00 0.00 39.78 38.12 1sm7 n ASN 34 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1sm7 n GLN 35 N -4.26 2.60 0.00 1.20 6.02 -1.26 -4.46 117.38 117.22 1sm7 n GLN 35 Ca 0.04 -1.60 0.07 0.00 -0.01 0.00 0.00 57.00 55.50 1sm7 n GLN 35 Cb 0.56 -2.47 0.39 0.00 1.02 0.00 0.00 30.24 29.74 1sm7 n GLN 35 CO 0.00 0.00 0.00 1.87 -1.01 0.00 0.00 177.06 177.92 1sm7 n TRP 36 N 3.65 0.00 0.00 1.08 -0.00 -1.26 -4.45 117.44 116.45 1sm7 n TRP 36 Ca 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 58.05 1sm7 n TRP 36 Cb 0.28 -0.20 0.00 0.00 -0.00 0.00 0.00 31.31 31.39 1sm7 n TRP 36 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1sm7 n GLY 37 N -0.06 -2.59 0.24 5.87 0.00 -1.18 -4.68 105.19 102.80 1sm7 n GLY 37 Ca 0.08 -1.15 0.11 0.00 0.00 0.00 0.00 46.02 45.06 1sm7 n GLY 37 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sm7 h PRO 38 N 0.00 0.00 -4.87 1.61 0.13 -1.81 -3.42 132.00 123.65 1sm7 h PRO 38 Ca 0.00 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.62 1sm7 h PRO 38 Cb 0.00 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.05 1sm7 h PRO 38 CO 0.00 0.17 1.60 0.94 -0.23 0.00 0.00 178.00 180.48 1sm7 n GLN 39 N -3.60 0.00 -0.29 0.86 0.00 -1.26 -3.28 117.38 109.80 1sm7 n GLN 39 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.99 1sm7 n GLN 39 Cb 0.31 -1.42 0.00 0.00 0.00 0.00 0.00 30.24 29.13 1sm7 n GLN 39 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1sm7 n GLN 40 N 7.89 -0.03 -1.50 3.69 6.02 -1.26 -4.25 117.38 127.93 1sm7 n GLN 40 Ca 0.61 -0.01 -0.35 0.00 -0.01 0.00 0.00 57.00 57.23 1sm7 n GLN 40 Cb 0.02 0.03 -0.17 0.00 1.02 0.00 0.00 30.24 31.14 1sm7 n GLN 40 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sm7 n GLY 41 N -0.06 -0.47 0.09 1.08 0.00 -1.21 -4.79 105.19 99.84 1sm7 n GLY 41 Ca 0.00 0.82 -0.04 0.00 0.00 0.00 0.00 46.02 46.80 1sm7 n GLY 41 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sm7 h PRO 42 N 11.98 -0.11 -3.43 1.61 0.13 -1.91 -3.35 132.00 136.93 1sm7 h PRO 42 Ca -0.03 0.01 -0.61 0.00 -0.87 0.00 0.00 66.00 64.50 1sm7 h PRO 42 Cb 1.26 0.03 0.01 0.00 0.13 0.00 0.00 31.00 32.43 1sm7 h PRO 42 CO 1.44 0.08 3.31 0.43 -0.23 0.00 0.00 178.00 183.03 1sm7 n SER 43 N -4.83 6.39 0.00 1.44 7.64 -1.26 -3.37 113.62 119.63 1sm7 n SER 43 Ca -0.03 -2.58 0.00 0.00 1.01 0.00 0.00 58.87 57.27 1sm7 n SER 43 Cb 0.12 -1.44 0.00 0.00 -1.01 0.00 0.00 64.21 61.88 1sm7 n SER 43 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1sm7 n LEU 44 N 4.56 0.00 -0.04 -3.43 4.77 -1.26 -4.62 117.00 116.98 1sm7 n LEU 44 Ca 0.63 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 56.50 1sm7 n LEU 44 Cb 0.25 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.29 1sm7 n LEU 44 CO 0.85 0.00 0.82 0.03 -1.33 0.00 0.00 177.39 177.75 1sm7 h ARG 45 N 0.00 0.24 -0.06 3.23 -0.00 -1.78 0.62 114.38 116.64 1sm7 h ARG 45 Ca 0.00 -0.05 -0.14 0.00 -0.50 0.00 0.00 59.98 59.29 1sm7 h ARG 45 Cb 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 29.97 29.92 1sm7 h ARG 45 CO 0.00 0.37 -0.60 0.93 0.00 0.00 0.00 179.97 180.67 1sm7 h GLU 46 N 0.07 0.20 -0.15 0.04 5.08 -1.90 0.18 114.58 118.10 1sm7 h GLU 46 Ca 0.05 -0.13 -0.23 0.00 -1.00 0.00 0.00 59.36 58.05 1sm7 h GLU 46 Cb 0.23 0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.51 1sm7 h GLU 46 CO -0.00 0.74 -0.79 1.96 -1.00 0.00 0.00 179.01 179.91 1sm7 h GLN 47 N 0.15 0.80 -0.18 2.33 4.20 -1.79 -3.08 115.11 117.53 1sm7 h GLN 47 Ca -0.01 -0.66 -0.11 0.00 0.06 0.00 0.00 58.65 57.93 1sm7 h GLN 47 Cb 1.09 0.14 -0.01 0.00 0.30 0.00 0.00 27.48 29.00 1sm7 h GLN 47 CO 0.09 1.26 -0.39 0.00 -0.67 0.00 0.00 178.83 179.13 1sm7 n ASN 50 N -0.86 1.74 0.00 0.00 2.85 -0.75 -4.32 115.26 113.92 1sm7 n ASN 50 Ca 0.07 0.00 0.10 0.00 -0.11 0.00 0.00 54.58 54.65 1sm7 n ASN 50 Cb 0.03 0.00 0.59 0.00 1.24 0.00 0.00 39.78 41.65 1sm7 n ASN 50 CO 0.00 0.00 0.00 -1.84 -2.11 0.00 0.00 177.26 173.31 1sm7 n GLU 51 N -2.65 0.54 -0.00 1.20 0.28 0.16 -1.52 120.64 118.66 1sm7 n GLU 51 Ca 0.00 0.03 0.01 0.00 -0.16 0.00 0.00 57.16 57.04 1sm7 n GLU 51 Cb 0.43 -1.50 -0.02 0.00 1.43 0.00 0.00 31.44 31.78 1sm7 n GLU 51 CO 0.00 0.00 0.00 1.47 -0.16 0.00 0.00 177.13 178.44 1sm7 n LEU 52 N -1.09 0.03 -1.23 -1.84 -0.00 -0.63 -4.68 117.00 107.56 1sm7 n LEU 52 Ca 0.14 -0.14 0.09 0.00 -0.00 0.00 0.00 56.01 56.10 1sm7 n LEU 52 Cb 0.10 0.00 0.29 0.00 -0.00 0.00 0.00 43.42 43.81 1sm7 n LEU 52 CO 0.13 0.01 0.75 0.00 -0.00 0.00 0.00 177.39 178.28 1sm7 n TYR 53 N -1.45 1.06 -0.02 1.47 4.19 -0.78 -4.18 117.16 117.44 1sm7 n TYR 53 Ca -0.00 -0.58 -0.09 0.00 3.31 0.00 0.00 57.90 60.54 1sm7 n TYR 53 Cb 0.06 -0.14 -0.14 0.00 0.49 0.00 0.00 39.34 39.61 1sm7 n TYR 53 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1sm7 n GLN 54 N 0.95 0.64 -0.32 2.98 0.00 -0.57 -4.10 117.38 116.96 1sm7 n GLN 54 Ca 0.22 0.29 0.05 0.00 0.00 0.00 0.00 57.00 57.56 1sm7 n GLN 54 Cb 0.71 -1.78 0.19 0.00 0.00 0.00 0.00 30.24 29.36 1sm7 n GLN 54 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1sm7 n GLU 55 N -3.04 2.40 0.00 2.61 1.02 -1.26 -5.03 120.64 117.34 1sm7 n GLU 55 Ca -0.18 -1.56 0.00 0.00 -0.02 0.00 0.00 57.16 55.41 1sm7 n GLU 55 Cb 1.06 -1.55 0.00 0.00 -0.02 0.00 0.00 31.44 30.93 1sm7 n GLU 55 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1sm7 n ASP 56 N 0.55 -0.17 0.14 1.62 -0.08 -1.26 -3.67 116.55 113.68 1sm7 n ASP 56 Ca 0.14 0.00 0.10 0.00 -1.51 0.00 0.00 54.79 53.52 1sm7 n ASP 56 Cb 0.51 0.00 0.05 0.00 2.34 0.00 0.00 41.12 44.01 1sm7 n ASP 56 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 1sm7 h GLN 57 N 0.00 0.00 0.00 -0.67 7.50 -1.90 -3.27 115.11 116.77 1sm7 h GLN 57 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1sm7 h GLN 57 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.53 1sm7 h GLN 57 CO 0.00 0.07 0.00 0.28 -1.50 0.00 0.00 178.83 177.68 1sm7 n VAL 58 N -2.89 0.51 -1.24 -0.54 0.31 -1.26 -2.16 118.33 111.06 1sm7 n VAL 58 Ca 0.01 0.12 0.07 0.00 -0.01 0.00 0.00 64.34 64.52 1sm7 n VAL 58 Cb 0.59 -0.75 0.18 0.00 -0.91 0.00 0.00 33.84 32.95 1sm7 n VAL 58 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sm7 n VAL 60 N -1.20 0.31 -3.77 0.00 0.31 -0.92 -4.53 118.33 108.53 1sm7 n VAL 60 Ca 0.19 -0.57 -0.02 0.00 -0.01 0.00 0.00 64.34 63.93 1sm7 n VAL 60 Cb 0.73 -0.12 -0.00 0.00 -0.91 0.00 0.00 33.84 33.54 1sm7 n VAL 60 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sm7 n PRO 62 N -0.54 0.20 -0.27 0.00 -0.04 -1.26 -4.69 135.00 128.39 1sm7 n PRO 62 Ca -0.06 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.49 1sm7 n PRO 62 Cb 0.61 -1.35 0.17 0.00 -0.04 0.00 0.00 33.50 32.88 1sm7 n PRO 62 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1sm7 n THR 63 N -0.85 -0.33 -0.32 0.52 -2.24 -1.26 -0.64 114.28 109.16 1sm7 n THR 63 Ca 0.03 1.74 0.12 0.00 -2.27 0.00 0.00 64.05 63.68 1sm7 n THR 63 Cb 0.02 -2.48 0.29 0.00 -2.10 0.00 0.00 70.33 66.06 1sm7 n THR 63 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1sm7 h LEU 64 N 0.00 0.53 -0.94 3.22 3.38 -1.80 -1.07 115.31 118.63 1sm7 h LEU 64 Ca 0.42 0.12 0.27 0.00 0.09 0.00 0.00 57.88 58.79 1sm7 h LEU 64 Cb 0.77 0.05 -0.17 0.00 0.09 0.00 0.00 40.66 41.39 1sm7 h LEU 64 CO -0.77 0.14 0.07 1.17 0.09 0.00 0.00 178.44 179.14 1sm7 n LYS 65 N -4.91 -0.07 0.37 1.13 0.00 0.19 -0.14 118.16 114.72 1sm7 n LYS 65 Ca 0.21 1.39 -0.14 0.00 0.00 0.00 0.00 58.31 59.78 1sm7 n LYS 65 Cb 0.58 -2.25 -0.07 0.00 0.00 0.00 0.00 35.03 33.30 1sm7 n LYS 65 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.40 177.77 1sm7 h GLN 66 N 0.00 -0.90 -1.10 1.64 5.75 -1.29 0.52 115.11 119.73 1sm7 h GLN 66 Ca 0.59 0.06 0.31 0.00 -0.15 0.00 0.00 58.65 59.46 1sm7 h GLN 66 Cb 1.28 0.20 -0.10 0.00 1.07 0.00 0.00 27.48 29.93 1sm7 h GLN 66 CO -0.87 -0.60 0.70 0.00 -2.65 0.00 0.00 178.83 175.42 1sm7 h ALA 67 N -1.55 2.33 -0.06 3.38 0.00 -1.25 0.23 119.26 122.34 1sm7 h ALA 67 Ca -0.10 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1sm7 h ALA 67 Cb 0.72 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1sm7 h ALA 67 CO 0.16 -0.80 -0.21 0.00 0.00 0.00 0.00 179.25 178.40 1sm7 h ALA 68 N 1.62 0.11 0.00 0.00 0.00 -0.53 -1.21 119.26 119.25 1sm7 h ALA 68 Ca 0.65 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 1sm7 h ALA 68 Cb 1.75 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.53 1sm7 h ALA 68 CO -0.33 0.07 -0.01 -0.22 0.00 0.00 0.00 179.25 178.76 1sm7 h LYS 69 N -0.27 0.00 0.00 0.00 1.63 0.13 -0.68 116.57 117.38 1sm7 h LYS 69 Ca -0.01 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1sm7 h LYS 69 Cb 0.84 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.47 1sm7 h LYS 69 CO 0.04 0.01 -0.92 0.45 -3.45 0.00 0.00 179.45 175.59 1sm7 n SER 70 N -3.56 0.69 0.17 4.20 2.88 0.67 -3.98 113.62 114.69 1sm7 n SER 70 Ca -0.03 0.07 0.13 0.00 -1.33 0.00 0.00 58.87 57.71 1sm7 n SER 70 Cb 0.10 0.52 0.58 0.00 -0.75 0.00 0.00 64.21 64.66 1sm7 n SER 70 CO 0.00 0.00 0.00 1.62 -1.23 0.00 0.00 175.04 175.43 1sm7 h VAL 71 N 0.00 0.00 -2.55 2.46 3.04 0.17 -3.28 116.25 116.09 1sm7 h VAL 71 Ca 0.00 -0.22 -0.72 0.00 -1.01 0.00 0.00 66.70 64.75 1sm7 h VAL 71 Cb 0.82 0.96 -0.34 0.00 -2.01 0.00 0.00 31.29 30.72 1sm7 h VAL 71 CO 0.00 0.00 0.19 -2.11 -1.01 0.00 0.00 177.57 174.64 1sm7 n ARG 72 N -2.42 3.73 -1.72 4.17 1.85 -1.22 -4.92 116.66 116.13 1sm7 n ARG 72 Ca 0.01 -4.63 -0.42 0.00 -1.00 0.00 0.00 57.85 51.80 1sm7 n ARG 72 Cb 0.20 -2.39 -0.03 0.00 -1.05 0.00 0.00 32.46 29.19 1sm7 n ARG 72 CO 0.00 0.00 0.00 1.55 -0.01 0.00 0.00 177.63 179.17 1sm7 n VAL 73 N 0.94 0.44 -2.74 8.89 3.14 -1.24 -4.89 118.33 122.86 1sm7 n VAL 73 Ca 0.29 -0.11 -0.43 0.00 -2.96 0.00 0.00 64.34 61.13 1sm7 n VAL 73 Cb 0.36 -1.90 -0.01 0.00 -1.06 0.00 0.00 33.84 31.23 1sm7 n VAL 73 CO 0.00 0.00 0.00 -1.58 -6.46 0.00 0.00 176.83 168.79 1sm7 s GLN 74 N 0.42 3.95 0.00 1.45 0.74 -1.26 -4.84 119.66 120.12 1sm7 s GLN 74 Ca 0.71 -2.11 0.00 0.00 0.05 0.00 0.00 55.36 54.01 1sm7 s GLN 74 Cb -0.53 -5.29 0.00 0.00 1.10 0.00 0.00 33.01 28.29 1sm7 s GLN 74 CO 0.40 -2.03 0.00 0.41 -0.55 0.00 0.00 175.29 173.52 1sm7 n GLY 75 N 5.08 0.89 1.17 2.59 0.00 -1.26 -4.84 105.19 108.82 1sm7 n GLY 75 Ca 0.41 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.49 1sm7 n GLY 75 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1sm7 n GLN 76 N 0.00 3.19 -3.15 1.61 7.27 -1.26 -4.86 117.38 120.18 1sm7 n GLN 76 Ca 0.00 -2.95 0.05 0.00 0.07 0.00 0.00 57.00 54.17 1sm7 n GLN 76 Cb 0.00 -1.94 -0.01 0.00 2.41 0.00 0.00 30.24 30.70 1sm7 n GLN 76 CO 0.00 0.00 0.00 -3.38 0.07 0.00 0.00 177.06 173.75 1sm7 s HIS 77 N -2.88 -1.06 0.00 3.69 -3.43 -1.26 -5.11 115.29 105.24 1sm7 s HIS 77 Ca 0.46 1.02 0.00 0.00 -0.80 0.00 0.00 55.06 55.74 1sm7 s HIS 77 Cb 0.37 0.33 0.00 0.00 -1.43 0.00 0.00 32.58 31.85 1sm7 s HIS 77 CO 0.10 -0.59 0.13 0.41 -2.00 0.00 0.00 174.74 172.79 1sm7 n GLY 78 N 5.42 -0.39 3.60 -1.38 0.00 -1.26 -4.70 105.19 106.48 1sm7 n GLY 78 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 1sm7 n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1sm7 s PRO 79 N -0.26 3.64 0.00 1.61 0.04 -1.26 -4.19 135.00 134.58 1sm7 s PRO 79 Ca 0.00 0.87 0.00 0.00 0.04 0.00 0.00 61.00 61.91 1sm7 s PRO 79 Cb 0.00 -3.99 0.00 0.00 0.04 0.00 0.00 34.50 30.55 1sm7 s PRO 79 CO 0.00 -1.49 0.00 0.34 0.04 0.00 0.00 177.00 175.89 1sm7 n PHE 80 N 8.50 -0.11 0.03 0.56 7.35 -1.26 -5.00 117.46 127.53 1sm7 n PHE 80 Ca 0.15 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.78 1sm7 n PHE 80 Cb 0.48 0.02 -0.04 0.00 0.35 0.00 0.00 39.48 40.29 1sm7 n PHE 80 CO 0.00 0.00 0.00 1.96 -0.76 0.00 0.00 176.76 177.96 1sm7 h GLN 81 N 0.00 -0.18 -1.13 -4.13 7.50 -1.88 -3.23 115.11 112.06 1sm7 h GLN 81 Ca 0.00 0.01 0.42 0.00 0.50 0.00 0.00 58.65 59.58 1sm7 h GLN 81 Cb 0.00 0.04 -0.15 0.00 0.05 0.00 0.00 27.48 27.43 1sm7 h GLN 81 CO 0.00 0.05 0.68 0.45 -1.50 0.00 0.00 178.83 178.52 1sm7 n SER 82 N -4.89 0.25 0.05 1.46 2.88 -1.26 0.07 113.62 112.18 1sm7 n SER 82 Ca -0.04 1.40 -0.03 0.00 -1.33 0.00 0.00 58.87 58.87 1sm7 n SER 82 Cb 0.16 -0.69 -0.01 0.00 -0.75 0.00 0.00 64.21 62.92 1sm7 n SER 82 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1sm7 h THR 83 N 0.00 0.00 -0.04 2.46 2.02 -1.96 -1.14 112.91 114.25 1sm7 h THR 83 Ca 0.81 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.99 1sm7 h THR 83 Cb 2.40 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.81 1sm7 h THR 83 CO -0.56 0.00 0.00 -1.14 0.37 0.00 0.00 175.52 174.19 1sm7 n ARG 84 N -2.70 1.25 -0.04 6.66 3.00 0.75 -2.59 116.66 122.99 1sm7 n ARG 84 Ca -0.02 -0.22 -0.08 0.00 -0.00 0.00 0.00 57.85 57.53 1sm7 n ARG 84 Cb 0.07 -1.49 -0.03 0.00 0.00 0.00 0.00 32.46 31.01 1sm7 n ARG 84 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 1sm7 n ILE 85 N -0.01 0.56 0.04 5.15 2.08 0.11 -4.38 119.36 122.92 1sm7 n ILE 85 Ca 0.02 -0.07 -0.12 0.00 0.56 0.00 0.00 62.75 63.14 1sm7 n ILE 85 Cb 0.28 -1.64 -0.00 0.00 -0.75 0.00 0.00 39.64 37.53 1sm7 n ILE 85 CO 0.00 0.00 0.00 1.88 0.56 0.00 0.00 176.55 178.99 1sm7 h TYR 86 N -0.31 0.64 0.00 1.39 -1.99 -1.28 0.24 116.97 115.66 1sm7 h TYR 86 Ca -0.19 -0.30 0.00 0.00 2.00 0.00 0.00 58.73 60.24 1sm7 h TYR 86 Cb 1.09 -0.09 0.00 0.00 2.00 0.00 0.00 36.73 39.73 1sm7 h TYR 86 CO -0.04 1.08 0.00 1.04 -0.00 0.00 0.00 178.16 180.24 1sm7 n GLN 87 N -3.83 0.18 -0.08 4.88 6.02 -1.07 -0.62 117.38 122.87 1sm7 n GLN 87 Ca -0.05 0.52 -0.09 0.00 -0.01 0.00 0.00 57.00 57.36 1sm7 n GLN 87 Cb 0.75 -1.92 -0.10 0.00 1.02 0.00 0.00 30.24 29.99 1sm7 n GLN 87 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 1sm7 n ILE 88 N -2.28 0.96 1.45 5.09 5.41 -1.15 -4.40 119.36 124.43 1sm7 n ILE 88 Ca 0.01 -0.50 0.09 0.00 1.00 0.00 0.00 62.75 63.35 1sm7 n ILE 88 Cb 0.15 -0.83 0.55 0.00 -0.71 0.00 0.00 39.64 38.80 1sm7 n ILE 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1sm7 n ALA 89 N -2.71 2.33 0.10 -1.39 0.00 0.83 -2.98 120.51 116.69 1sm7 n ALA 89 Ca -0.26 -0.12 -0.21 0.00 0.00 0.00 0.00 53.44 52.86 1sm7 n ALA 89 Cb 0.90 -1.30 -0.15 0.00 0.00 0.00 0.00 19.45 18.90 1sm7 n ALA 89 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1sm7 h LYS 90 N 0.00 0.39 -0.88 0.00 5.09 -1.07 -3.21 116.57 116.88 1sm7 h LYS 90 Ca 0.00 -0.66 -0.01 0.00 0.09 0.00 0.00 60.65 60.07 1sm7 h LYS 90 Cb 0.00 0.25 -0.01 0.00 0.10 0.00 0.00 32.23 32.57 1sm7 h LYS 90 CO 0.00 1.29 0.01 0.09 -2.09 0.00 0.00 179.45 178.76 1sm7 n ASN 91 N -3.59 2.50 0.03 7.07 3.02 -1.16 -4.32 115.26 118.81 1sm7 n ASN 91 Ca -0.18 -2.30 -0.02 0.00 -0.03 0.00 0.00 54.58 52.05 1sm7 n ASN 91 Cb 1.07 -0.56 -0.01 0.00 -0.61 0.00 0.00 39.78 39.67 1sm7 n ASN 91 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1sm7 h LEU 92 N 1.20 -0.12 0.00 3.41 3.38 -1.66 -2.81 115.31 118.71 1sm7 h LEU 92 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1sm7 h LEU 92 Cb 1.00 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1sm7 h LEU 92 CO 0.16 0.22 0.00 -0.81 0.09 0.00 0.00 178.44 178.10 1sm7 n PRO 93 N -4.10 0.38 0.05 1.13 -0.04 -1.26 -0.30 135.00 130.86 1sm7 n PRO 93 Ca -0.02 0.07 -0.19 0.00 -0.04 0.00 0.00 63.50 63.32 1sm7 n PRO 93 Cb 0.06 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 31.87 1sm7 n PRO 93 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1sm7 h ASN 94 N 0.00 0.44 0.00 3.54 2.35 -1.76 -3.00 115.58 117.15 1sm7 h ASN 94 Ca 0.00 -0.72 0.00 0.00 -0.55 0.00 0.00 56.30 55.03 1sm7 h ASN 94 Cb 0.09 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.31 1sm7 h ASN 94 CO 0.00 1.62 -1.24 0.52 -1.65 0.00 0.00 177.43 176.68 1sm7 n VAL 95 N -3.47 0.00 -2.31 2.81 0.31 -1.04 -4.27 118.33 110.36 1sm7 n VAL 95 Ca -0.23 -0.18 -0.16 0.00 -0.01 0.00 0.00 64.34 63.76 1sm7 n VAL 95 Cb 1.06 0.68 0.03 0.00 -0.91 0.00 0.00 33.84 34.70 1sm7 n VAL 95 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sm7 n ASN 97 N -0.67 -0.08 -0.18 0.00 3.02 -1.13 -4.65 115.26 111.57 1sm7 n ASN 97 Ca 0.31 -0.01 0.03 0.00 -0.03 0.00 0.00 54.58 54.88 1sm7 n ASN 97 Cb 0.91 -0.32 0.05 0.00 -0.61 0.00 0.00 39.78 39.81 1sm7 n ASN 97 CO 0.00 0.00 0.00 1.15 -2.62 0.00 0.00 177.26 175.79 1sm7 n MET 98 N 3.05 1.00 -3.24 3.52 0.00 -1.26 -4.87 117.12 115.31 1sm7 n MET 98 Ca 0.27 -1.55 -0.02 0.00 0.00 0.00 0.00 57.70 56.40 1sm7 n MET 98 Cb 0.02 -0.93 -0.02 0.00 0.00 0.00 0.00 33.22 32.29 1sm7 n MET 98 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 175.97 176.18 1sm7 s LYS 99 N -1.17 0.78 0.16 3.17 2.36 -1.26 -4.65 119.74 119.13 1sm7 s LYS 99 Ca 0.11 -0.34 -0.05 0.00 -2.55 0.00 0.00 55.97 53.14 1sm7 s LYS 99 Cb 0.10 -0.05 0.01 0.00 -1.05 0.00 0.00 37.83 36.84 1sm7 s LYS 99 CO 0.01 -1.19 1.42 0.37 1.55 0.00 0.00 175.35 177.51 1sm7 h GLN 100 N 7.05 0.55 0.00 4.03 -0.00 -1.96 -3.38 115.11 121.40 1sm7 h GLN 100 Ca 0.05 -0.42 0.00 0.00 -0.00 0.00 0.00 58.65 58.28 1sm7 h GLN 100 Cb 1.16 0.08 0.00 0.00 0.00 0.00 0.00 27.48 28.72 1sm7 h GLN 100 CO 0.12 1.04 0.00 1.51 0.00 0.00 0.00 178.83 181.51 1sm7 n ILE 101 N -3.89 0.00 0.00 2.39 3.06 -1.26 -5.03 119.36 114.63 1sm7 n ILE 101 Ca -0.05 0.83 0.00 0.00 -2.50 0.00 0.00 62.75 61.04 1sm7 n ILE 101 Cb 0.69 -1.70 0.00 0.00 0.54 0.00 0.00 39.64 39.17 1sm7 n ILE 101 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1sm7 n GLY 102 N -0.42 0.45 0.12 4.50 0.00 -1.26 -5.05 105.19 103.52 1sm7 n GLY 102 Ca 0.00 -0.15 -0.16 0.00 0.00 0.00 0.00 46.02 45.71 1sm7 n GLY 102 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1sm7 n THR 103 N 0.00 1.41 -3.24 2.61 -1.04 -1.26 -4.54 114.28 108.22 1sm7 n THR 103 Ca 0.00 -0.59 -0.26 0.00 -2.04 0.00 0.00 64.05 61.17 1sm7 n THR 103 Cb 0.00 -1.25 -0.06 0.00 -1.82 0.00 0.00 70.33 67.20 1sm7 n THR 103 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1sm7 n PRO 105 N 0.61 1.70 -2.37 0.00 -0.04 -1.26 -4.88 135.00 128.76 1sm7 n PRO 105 Ca 0.28 -0.91 -0.25 0.00 -0.04 0.00 0.00 63.50 62.58 1sm7 n PRO 105 Cb 0.45 -1.99 0.10 0.00 -0.04 0.00 0.00 33.50 32.02 1sm7 n PRO 105 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1sm7 s PHE 106 N 1.73 2.12 0.00 0.54 -0.71 -1.26 -5.12 117.98 115.29 1sm7 s PHE 106 Ca 0.50 0.06 0.00 0.00 -1.04 0.00 0.00 56.93 56.46 1sm7 s PHE 106 Cb 0.22 -3.22 0.00 0.00 -1.21 0.00 0.00 43.02 38.81 1sm7 s PHE 106 CO -0.01 -1.69 0.00 1.51 -1.34 0.00 0.00 175.22 173.69 1sm7 n ILE 107 N -2.96 0.00 0.10 -4.49 0.13 -1.26 -4.97 119.36 105.90 1sm7 n ILE 107 Ca 0.12 0.00 -0.20 0.00 -1.10 0.00 0.00 62.75 61.58 1sm7 n ILE 107 Cb 0.60 0.00 -0.12 0.00 -0.84 0.00 0.00 39.64 39.28 1sm7 n ILE 107 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1sm7 h ALA 108 N -2.00 0.06 0.00 1.51 0.00 -1.90 -3.46 119.26 113.47 1sm7 h ALA 108 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.11 1sm7 h ALA 108 Cb 0.00 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1sm7 h ALA 108 CO 0.00 0.78 0.00 -0.89 0.00 0.00 0.00 179.25 179.14