#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 -2.73 -0.01 2.61 -0.04 -1.26 -5.03 135.00 128.54 1sm7 n PRO 2 Ca 0.00 -1.86 -0.00 0.00 -0.04 0.00 0.00 63.50 61.60 1sm7 n PRO 2 Cb 0.00 -1.60 -0.02 0.00 -0.04 0.00 0.00 33.50 31.84 1sm7 n PRO 2 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1sm7 n GLN 3 N -4.65 2.13 -0.42 0.54 7.27 -1.26 -4.62 117.38 116.37 1sm7 n GLN 3 Ca 0.16 -0.01 0.36 0.00 0.07 0.00 0.00 57.00 57.58 1sm7 n GLN 3 Cb 0.60 -1.07 0.64 0.00 2.41 0.00 0.00 30.24 32.82 1sm7 n GLN 3 CO 0.00 0.00 0.00 0.87 0.07 0.00 0.00 177.06 178.00 1sm7 h LYS 4 N 0.00 0.04 0.34 3.69 6.56 -1.96 0.70 116.57 125.95 1sm7 h LYS 4 Ca -0.04 -0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.53 1sm7 h LYS 4 Cb 0.73 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.38 1sm7 h LYS 4 CO 0.00 0.03 -0.17 0.00 -2.06 0.00 0.00 179.45 177.25 1sm7 h GLN 6 N -0.86 0.33 -0.88 0.00 1.08 0.10 0.66 115.11 115.53 1sm7 h GLN 6 Ca -0.05 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 1sm7 h GLN 6 Cb 0.53 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.89 1sm7 h GLN 6 CO 0.08 0.22 0.00 -2.13 -0.95 0.00 0.00 178.83 176.04 1sm7 n ARG 7 N -5.09 1.89 -0.00 1.46 0.63 0.81 -3.43 116.66 112.92 1sm7 n ARG 7 Ca 0.24 -0.72 0.00 0.00 -0.92 0.00 0.00 57.85 56.45 1sm7 n ARG 7 Cb 0.72 -1.66 -0.00 0.00 0.45 0.00 0.00 32.46 31.97 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 0.14 0.80 -0.05 -0.14 1.02 0.23 -3.99 120.64 118.63 1sm7 n GLU 8 Ca 0.06 -0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.06 1sm7 n GLU 8 Cb 0.46 -1.01 -0.13 0.00 -0.02 0.00 0.00 31.44 30.74 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 0.05 0.00 -0.32 3.04 -1.46 -3.31 116.94 114.93 1sm7 h PHE 9 Ca -0.00 -0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.92 1sm7 h PHE 9 Cb 0.22 -0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.73 1sm7 h PHE 9 CO 0.00 0.96 -0.78 0.37 -2.02 0.00 0.00 178.31 176.84 1sm7 h GLN 10 N -0.89 0.00 -0.78 1.11 4.15 -1.82 -0.08 115.11 116.80 1sm7 h GLN 10 Ca -0.01 0.00 0.13 0.00 0.77 0.00 0.00 58.65 59.54 1sm7 h GLN 10 Cb 0.99 0.00 -0.14 0.00 0.21 0.00 0.00 27.48 28.54 1sm7 h GLN 10 CO 0.01 0.00 -0.35 0.37 -1.93 0.00 0.00 178.83 176.93 1sm7 h GLN 11 N 0.00 -0.08 0.00 1.69 -0.00 -1.69 -3.40 115.11 111.63 1sm7 h GLN 11 Ca 0.00 0.01 -0.03 0.00 -0.00 0.00 0.00 58.65 58.63 1sm7 h GLN 11 Cb 0.87 0.02 -0.04 0.00 0.00 0.00 0.00 27.48 28.33 1sm7 h GLN 11 CO 0.00 -0.05 0.13 -0.85 0.00 0.00 0.00 178.83 178.06 1sm7 n GLU 12 N -5.46 0.00 0.00 1.69 -0.00 -1.26 -5.04 120.64 110.57 1sm7 n GLU 12 Ca 0.07 -0.23 0.00 0.00 -0.00 0.00 0.00 57.16 57.00 1sm7 n GLU 12 Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.82 1sm7 n GLU 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1sm7 n GLN 13 N -0.23 0.00 0.00 3.44 10.64 -1.17 -5.10 117.38 124.96 1sm7 n GLN 13 Ca -0.15 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.02 1sm7 n GLN 13 Cb 0.55 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.93 1sm7 n GLN 13 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 1sm7 n HIS 14 N 0.00 0.00 -4.34 2.61 8.25 -0.05 -4.62 115.22 117.07 1sm7 n HIS 14 Ca 0.00 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.20 1sm7 n HIS 14 Cb 0.00 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.02 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 2.97 0.00 2.41 2.01 -1.26 -4.99 118.68 119.82 1sm7 s LEU 15 Ca 0.00 -1.22 0.00 0.00 0.01 0.00 0.00 54.13 52.92 1sm7 s LEU 15 Cb 0.00 -1.19 0.00 0.00 0.01 0.00 0.00 46.19 45.01 1sm7 s LEU 15 CO 0.00 -0.54 0.00 0.54 1.01 0.00 0.00 176.35 177.36 1sm7 n ARG 16 N -1.16 0.00 0.15 1.70 5.12 -1.26 -4.40 116.66 116.82 1sm7 n ARG 16 Ca -0.04 0.00 0.17 0.00 -1.93 0.00 0.00 57.85 56.06 1sm7 n ARG 16 Cb 0.66 0.00 0.60 0.00 -1.16 0.00 0.00 32.46 32.56 1sm7 n ARG 16 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1sm7 h ALA 17 N 0.05 2.00 0.00 7.54 0.00 -1.92 0.46 119.26 127.38 1sm7 h ALA 17 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1sm7 h ALA 17 Cb 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1sm7 h ALA 17 CO 0.00 -0.80 -0.11 0.00 0.00 0.00 0.00 179.25 178.34 1sm7 n GLN 19 N -4.66 1.29 0.00 0.00 1.13 0.12 -3.80 117.38 111.46 1sm7 n GLN 19 Ca -0.08 -0.67 0.00 0.00 -1.94 0.00 0.00 57.00 54.31 1sm7 n GLN 19 Cb 0.32 -1.26 0.00 0.00 0.11 0.00 0.00 30.24 29.41 1sm7 n GLN 19 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1sm7 n GLN 20 N 0.26 0.00 0.09 -1.09 1.13 0.89 -4.55 117.38 114.11 1sm7 n GLN 20 Ca 0.13 0.00 0.05 0.00 -1.94 0.00 0.00 57.00 55.24 1sm7 n GLN 20 Cb 0.73 -0.40 0.48 0.00 0.11 0.00 0.00 30.24 31.16 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 0.34 0.00 1.08 5.08 -1.60 0.97 115.95 121.82 1sm7 h TRP 21 Ca 0.00 0.00 -0.18 0.00 1.08 0.00 0.00 58.89 59.80 1sm7 h TRP 21 Cb 0.10 -0.11 -0.03 0.00 -3.00 0.00 0.00 29.16 26.12 1sm7 h TRP 21 CO 0.00 0.24 -0.84 0.82 -1.28 0.00 0.00 178.44 177.38 1sm7 h ILE 22 N 0.36 1.49 0.00 0.12 2.04 -1.84 -2.95 117.51 116.72 1sm7 h ILE 22 Ca 0.09 -2.98 -0.02 0.00 1.00 0.00 0.00 64.86 62.96 1sm7 h ILE 22 Cb 0.01 2.66 -0.00 0.00 -0.74 0.00 0.00 36.82 38.74 1sm7 h ILE 22 CO -0.02 0.82 -0.10 0.03 0.00 0.00 0.00 178.15 178.88 1sm7 h ARG 23 N 0.00 0.00 0.00 2.37 -0.00 -1.08 -1.76 114.38 113.91 1sm7 h ARG 23 Ca -0.01 0.00 -0.09 0.00 -0.50 0.00 0.00 59.98 59.38 1sm7 h ARG 23 Cb 1.59 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 31.55 1sm7 h ARG 23 CO 0.11 0.10 -0.43 0.37 0.00 0.00 0.00 179.97 180.12 1sm7 h GLN 24 N 0.00 0.00 0.00 0.04 5.75 -1.16 -2.91 115.11 116.82 1sm7 h GLN 24 Ca -0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1sm7 h GLN 24 Cb 0.32 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.87 1sm7 h GLN 24 CO 0.01 0.43 0.00 0.94 -2.65 0.00 0.00 178.83 177.56 1sm7 n GLN 25 N -3.36 0.04 -4.35 1.69 0.00 -0.66 -4.43 117.38 106.30 1sm7 n GLN 25 Ca 0.01 0.43 -0.23 0.00 -0.00 0.00 0.00 57.00 57.21 1sm7 n GLN 25 Cb 0.62 -1.59 -0.08 0.00 0.00 0.00 0.00 30.24 29.18 1sm7 n GLN 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1sm7 s LEU 26 N -3.33 2.99 0.13 1.69 1.02 -1.10 -4.99 118.68 115.09 1sm7 s LEU 26 Ca 0.02 -0.78 0.14 0.00 0.02 0.00 0.00 54.13 53.53 1sm7 s LEU 26 Cb 0.05 -1.50 0.66 0.00 0.02 0.00 0.00 46.19 45.42 1sm7 s LEU 26 CO 0.14 0.01 1.44 0.00 0.02 0.00 0.00 176.35 177.97 1sm7 n ALA 27 N -0.80 1.36 -0.38 4.21 0.00 -1.26 -3.03 120.51 120.61 1sm7 n ALA 27 Ca -0.06 0.05 0.34 0.00 0.00 0.00 0.00 53.44 53.77 1sm7 n ALA 27 Cb 0.59 -1.23 0.58 0.00 0.00 0.00 0.00 19.45 19.40 1sm7 n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sm7 n GLY 28 N -0.66 -0.72 3.73 0.00 0.00 -1.26 -4.24 105.19 102.04 1sm7 n GLY 28 Ca 0.01 0.69 -0.41 0.00 0.00 0.00 0.00 46.02 46.31 1sm7 n GLY 28 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1sm7 s SER 29 N -4.38 7.41 0.75 1.61 0.15 -1.17 -5.06 113.70 113.01 1sm7 s SER 29 Ca -0.07 1.91 -0.11 0.00 0.70 0.00 0.00 55.95 58.38 1sm7 s SER 29 Cb 0.28 -2.59 0.04 0.00 -1.71 0.00 0.00 66.02 62.04 1sm7 s SER 29 CO 0.72 -0.13 1.08 -2.16 1.20 0.00 0.00 173.24 173.95 1sm7 s PRO 30 N -0.13 2.50 -0.04 5.44 0.04 -1.26 -5.05 135.00 136.50 1sm7 s PRO 30 Ca 0.48 0.83 -0.20 0.00 0.04 0.00 0.00 61.00 62.16 1sm7 s PRO 30 Cb -0.26 -1.95 0.06 0.00 0.04 0.00 0.00 34.50 32.40 1sm7 s PRO 30 CO 0.32 -1.38 0.88 1.97 0.04 0.00 0.00 177.00 178.83 1sm7 n PHE 31 N -3.30 -0.16 -1.85 0.56 1.16 -1.26 -5.04 117.46 107.57 1sm7 n PHE 31 Ca 0.07 -0.41 0.05 0.00 -1.87 0.00 0.00 57.45 55.30 1sm7 n PHE 31 Cb 0.55 0.18 0.12 0.00 -1.61 0.00 0.00 39.48 38.71 1sm7 n PHE 31 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 1sm7 n SER 32 N -0.72 1.39 0.00 5.98 2.88 -1.26 -4.95 113.62 116.94 1sm7 n SER 32 Ca 0.04 -2.97 0.00 0.00 -1.33 0.00 0.00 58.87 54.61 1sm7 n SER 32 Cb 0.38 -0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.44 1sm7 n SER 32 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1sm7 n GLU 33 N -0.53 0.00 0.00 -1.46 4.07 -1.26 -5.18 120.64 116.28 1sm7 n GLU 33 Ca 0.12 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.22 1sm7 n GLU 33 Cb 0.83 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 32.21 1sm7 n GLU 33 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1sm7 n ASN 34 N -1.26 0.00 -1.14 4.31 3.02 -1.26 -5.20 115.26 113.74 1sm7 n ASN 34 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1sm7 n ASN 34 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1sm7 n ASN 34 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sm7 n GLN 35 N -0.84 0.01 0.02 3.52 10.64 -1.26 -5.03 117.38 124.44 1sm7 n GLN 35 Ca 0.00 -0.04 0.00 0.00 -1.83 0.00 0.00 57.00 55.13 1sm7 n GLN 35 Cb 0.00 0.06 0.00 0.00 -0.86 0.00 0.00 30.24 29.44 1sm7 n GLN 35 CO 0.00 0.00 0.00 1.87 -1.83 0.00 0.00 177.06 177.10 1sm7 n TRP 36 N -0.04 -0.24 0.05 2.61 -0.00 -1.26 -4.93 117.44 113.62 1sm7 n TRP 36 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 57.50 57.54 1sm7 n TRP 36 Cb 0.03 0.21 0.00 0.00 -0.00 0.00 0.00 31.31 31.54 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 2.48 -1.85 2.27 5.87 0.00 -1.26 -1.88 105.19 110.82 1sm7 n GLY 37 Ca 0.00 0.56 -0.17 0.00 0.00 0.00 0.00 46.02 46.41 1sm7 n GLY 37 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sm7 n PRO 38 N -2.47 1.98 0.00 1.61 -0.04 -1.26 -2.51 135.00 132.30 1sm7 n PRO 38 Ca 0.00 -1.14 0.00 0.00 -0.04 0.00 0.00 63.50 62.32 1sm7 n PRO 38 Cb 0.00 -2.16 0.00 0.00 -0.04 0.00 0.00 33.50 31.30 1sm7 n PRO 38 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1sm7 n GLN 39 N 3.16 0.00 0.00 0.54 0.00 -1.26 -4.74 117.38 115.08 1sm7 n GLN 39 Ca 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.43 1sm7 n GLN 39 Cb 0.48 -0.37 -0.00 0.00 0.00 0.00 0.00 30.24 30.35 1sm7 n GLN 39 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 1sm7 n GLN 40 N -2.08 4.84 -2.81 3.69 -0.06 -1.20 -4.80 117.38 114.96 1sm7 n GLN 40 Ca 0.00 -0.14 -0.10 0.00 -2.00 0.00 0.00 57.00 54.76 1sm7 n GLN 40 Cb 0.09 -0.65 0.06 0.00 -4.06 0.00 0.00 30.24 25.68 1sm7 n GLN 40 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1sm7 n GLY 41 N 0.77 0.93 0.00 1.69 0.00 -1.04 -4.96 105.19 102.57 1sm7 n GLY 41 Ca 0.00 -0.22 0.09 0.00 0.00 0.00 0.00 46.02 45.89 1sm7 n GLY 41 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sm7 n PRO 42 N 0.67 0.67 -2.94 1.61 -0.04 -1.23 -4.08 135.00 129.66 1sm7 n PRO 42 Ca 0.10 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.15 1sm7 n PRO 42 Cb 0.67 -1.42 0.00 0.00 -0.04 0.00 0.00 33.50 32.71 1sm7 n PRO 42 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1sm7 n SER 43 N -0.92 6.43 0.00 3.54 7.64 -1.26 -4.36 113.62 124.69 1sm7 n SER 43 Ca 0.14 -3.50 0.00 0.00 1.01 0.00 0.00 58.87 56.52 1sm7 n SER 43 Cb 0.06 -1.18 0.00 0.00 -1.01 0.00 0.00 64.21 62.08 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 0.87 0.32 -0.25 -3.43 4.32 -1.26 -4.60 117.00 112.97 1sm7 n LEU 44 Ca 0.32 0.00 -0.07 0.00 -0.02 0.00 0.00 56.01 56.23 1sm7 n LEU 44 Cb 0.32 0.00 0.04 0.00 -1.62 0.00 0.00 43.42 42.16 1sm7 n LEU 44 CO 0.64 0.04 0.95 0.03 -1.22 0.00 0.00 177.39 177.83 1sm7 h ARG 45 N 0.00 1.10 -0.00 3.23 2.47 -1.84 0.69 114.38 120.03 1sm7 h ARG 45 Ca 0.00 -0.25 -0.16 0.00 -1.26 0.00 0.00 59.98 58.30 1sm7 h ARG 45 Cb 0.11 -0.15 -0.02 0.00 -1.65 0.00 0.00 29.97 28.26 1sm7 h ARG 45 CO 0.00 0.96 -0.77 0.93 0.56 0.00 0.00 179.97 181.65 1sm7 h GLU 46 N 1.03 0.04 0.01 0.04 5.08 -1.88 0.08 114.58 118.97 1sm7 h GLU 46 Ca 0.22 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1sm7 h GLU 46 Cb 0.35 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1sm7 h GLU 46 CO -0.00 0.79 -0.00 1.96 -1.00 0.00 0.00 179.01 180.75 1sm7 h GLN 47 N 0.02 -0.01 -0.37 2.33 4.20 -1.73 -3.11 115.11 116.45 1sm7 h GLN 47 Ca -0.01 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 1sm7 h GLN 47 Cb 1.36 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.12 1sm7 h GLN 47 CO 0.10 0.82 0.06 0.00 -0.67 0.00 0.00 178.83 179.14 1sm7 n ASN 50 N -2.42 1.95 0.03 0.00 5.03 0.38 -4.15 115.26 116.07 1sm7 n ASN 50 Ca -0.01 -0.24 0.11 0.00 0.87 0.00 0.00 54.58 55.31 1sm7 n ASN 50 Cb 0.08 1.31 -0.11 0.00 -1.02 0.00 0.00 39.78 40.04 1sm7 n ASN 50 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 1sm7 n GLU 51 N -1.64 0.62 0.04 3.52 4.07 0.22 -3.32 120.64 124.16 1sm7 n GLU 51 Ca -0.01 -0.08 0.11 0.00 -0.06 0.00 0.00 57.16 57.12 1sm7 n GLU 51 Cb 0.23 -1.62 -0.09 0.00 -0.06 0.00 0.00 31.44 29.89 1sm7 n GLU 51 CO 0.00 0.00 0.00 1.47 -0.06 0.00 0.00 177.13 178.54 1sm7 n LEU 52 N -2.38 0.40 -0.19 4.31 -0.00 0.36 -4.04 117.00 115.46 1sm7 n LEU 52 Ca -0.02 0.14 0.10 0.00 -0.00 0.00 0.00 56.01 56.23 1sm7 n LEU 52 Cb 0.56 -0.03 -0.07 0.00 -0.00 0.00 0.00 43.42 43.87 1sm7 n LEU 52 CO 0.44 -0.08 0.09 0.00 -0.00 0.00 0.00 177.39 177.84 1sm7 n TYR 53 N -2.43 0.00 -0.01 1.47 4.19 -1.26 -4.18 117.16 114.95 1sm7 n TYR 53 Ca -0.02 0.00 -0.10 0.00 3.31 0.00 0.00 57.90 61.09 1sm7 n TYR 53 Cb 0.55 0.00 0.05 0.00 0.49 0.00 0.00 39.34 40.43 1sm7 n TYR 53 CO 0.00 0.00 0.00 -0.56 0.91 0.00 0.00 176.86 177.21 1sm7 h GLN 54 N 0.95 0.59 0.00 2.98 3.07 -1.69 -2.76 115.11 118.25 1sm7 h GLN 54 Ca 0.00 -0.37 0.00 0.00 0.09 0.00 0.00 58.65 58.37 1sm7 h GLN 54 Cb 0.58 0.04 0.00 0.00 0.08 0.00 0.00 27.48 28.18 1sm7 h GLN 54 CO 0.00 0.98 0.00 0.39 0.09 0.00 0.00 178.83 180.29 1sm7 n GLU 55 N -3.97 0.99 0.00 0.06 1.02 -1.26 -5.00 120.64 112.48 1sm7 n GLU 55 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 1sm7 n GLU 55 Cb 0.60 -1.01 0.00 0.00 -0.02 0.00 0.00 31.44 31.01 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 -0.51 -0.43 0.06 1.62 -0.08 -1.04 -3.49 116.55 112.68 1sm7 n ASP 56 Ca 0.01 0.00 -0.02 0.00 -1.51 0.00 0.00 54.79 53.26 1sm7 n ASP 56 Cb 0.00 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.39 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 -1.85 -3.19 115.11 116.91 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 0.54 0.00 0.28 -1.50 0.00 0.00 178.83 178.15 1sm7 n VAL 58 N -3.11 1.09 -1.61 -0.54 0.31 -1.26 -0.99 118.33 112.22 1sm7 n VAL 58 Ca -0.05 0.27 0.06 0.00 -0.01 0.00 0.00 64.34 64.61 1sm7 n VAL 58 Cb 0.87 -1.07 0.20 0.00 -0.91 0.00 0.00 33.84 32.92 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 -1.06 0.00 0.00 0.00 0.31 -0.16 -4.48 118.33 112.93 1sm7 n VAL 60 Ca 0.18 -0.18 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1sm7 n VAL 60 Cb 0.71 0.80 0.00 0.00 -0.91 0.00 0.00 33.84 34.44 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 -0.16 0.68 -0.22 0.00 -0.04 -1.26 -4.78 135.00 129.22 1sm7 n PRO 62 Ca 0.00 0.00 0.31 0.00 -0.04 0.00 0.00 63.50 63.77 1sm7 n PRO 62 Cb 0.00 -1.15 0.69 0.00 -0.04 0.00 0.00 33.50 33.00 1sm7 n PRO 62 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1sm7 h THR 63 N 0.00 0.28 0.00 0.52 1.35 -1.83 0.70 112.91 113.94 1sm7 h THR 63 Ca 0.00 0.00 -0.17 0.00 -0.55 0.00 0.00 66.41 65.69 1sm7 h THR 63 Cb 0.15 0.36 -0.03 0.00 -1.73 0.00 0.00 68.15 66.90 1sm7 h THR 63 CO 0.00 0.00 -1.69 0.18 -0.25 0.00 0.00 175.52 173.76 1sm7 n LEU 64 N -3.85 0.54 0.23 3.87 4.77 -1.24 -3.79 117.00 117.54 1sm7 n LEU 64 Ca 0.22 0.24 0.18 0.00 -0.03 0.00 0.00 56.01 56.61 1sm7 n LEU 64 Cb 1.20 0.14 0.80 0.00 -2.33 0.00 0.00 43.42 43.23 1sm7 n LEU 64 CO 0.34 0.17 1.15 0.50 -1.33 0.00 0.00 177.39 178.23 1sm7 h LYS 65 N 0.00 0.00 0.09 3.23 3.11 0.13 -0.51 116.57 122.62 1sm7 h LYS 65 Ca -0.20 0.00 -0.36 0.00 -2.81 0.00 0.00 60.65 57.28 1sm7 h LYS 65 Cb 1.59 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 32.79 1sm7 h LYS 65 CO 0.03 0.00 -2.01 1.04 -2.81 0.00 0.00 179.45 175.70 1sm7 n GLN 66 N -3.33 0.72 0.01 1.90 6.02 -1.03 -1.71 117.38 119.96 1sm7 n GLN 66 Ca 0.02 0.28 0.04 0.00 -0.01 0.00 0.00 57.00 57.33 1sm7 n GLN 66 Cb 0.46 -1.68 0.19 0.00 1.02 0.00 0.00 30.24 30.23 1sm7 n GLN 66 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1sm7 n ALA 67 N -3.13 1.34 0.07 -1.58 0.00 -0.53 0.80 120.51 117.49 1sm7 n ALA 67 Ca -0.35 -0.01 0.05 0.00 0.00 0.00 0.00 53.44 53.13 1sm7 n ALA 67 Cb 0.99 -1.14 -0.07 0.00 0.00 0.00 0.00 19.45 19.23 1sm7 n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sm7 n ALA 68 N -1.52 2.50 -0.04 0.00 0.00 -0.32 -4.23 120.51 116.89 1sm7 n ALA 68 Ca 0.02 -0.23 -0.12 0.00 0.00 0.00 0.00 53.44 53.10 1sm7 n ALA 68 Cb 0.09 -0.33 -0.14 0.00 0.00 0.00 0.00 19.45 19.07 1sm7 n ALA 68 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1sm7 n LYS 69 N -1.72 0.67 -0.13 0.00 3.00 -0.51 -3.90 118.16 115.56 1sm7 n LYS 69 Ca -0.01 0.21 0.04 0.00 -0.00 0.00 0.00 58.31 58.55 1sm7 n LYS 69 Cb 0.23 -1.69 0.11 0.00 0.00 0.00 0.00 35.03 33.68 1sm7 n LYS 69 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1sm7 n SER 70 N -3.08 1.37 0.02 3.14 2.88 0.24 -3.34 113.62 114.85 1sm7 n SER 70 Ca -0.26 -2.01 0.11 0.00 -1.33 0.00 0.00 58.87 55.38 1sm7 n SER 70 Cb 1.07 -0.18 -0.10 0.00 -0.75 0.00 0.00 64.21 64.25 1sm7 n SER 70 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1sm7 n VAL 71 N 0.22 0.15 -2.48 2.46 3.14 -1.25 -4.67 118.33 115.90 1sm7 n VAL 71 Ca 0.08 -0.42 -0.43 0.00 -2.96 0.00 0.00 64.34 60.61 1sm7 n VAL 71 Cb 0.22 0.06 0.00 0.00 -1.06 0.00 0.00 33.84 33.06 1sm7 n VAL 71 CO 0.00 0.00 0.00 -2.11 -6.46 0.00 0.00 176.83 168.26 1sm7 n ARG 72 N -2.23 3.29 -2.46 1.45 1.85 -1.21 -4.92 116.66 112.43 1sm7 n ARG 72 Ca -0.02 -3.40 -0.43 0.00 -1.00 0.00 0.00 57.85 53.01 1sm7 n ARG 72 Cb 0.52 -3.17 -0.02 0.00 -1.05 0.00 0.00 32.46 28.74 1sm7 n ARG 72 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1sm7 s VAL 73 N 2.24 4.22 -0.41 8.89 1.01 -1.26 -4.78 120.40 130.31 1sm7 s VAL 73 Ca 0.46 1.39 -0.13 0.00 0.00 0.00 0.00 61.98 63.69 1sm7 s VAL 73 Cb 0.05 -4.20 0.04 0.00 0.00 0.00 0.00 36.38 32.27 1sm7 s VAL 73 CO 0.01 -0.46 0.28 -1.10 0.00 0.00 0.00 175.10 173.83 1sm7 s GLN 74 N 4.03 2.87 -0.19 2.72 -0.21 -1.26 -4.92 119.66 122.69 1sm7 s GLN 74 Ca 0.54 -1.16 -0.15 0.00 0.02 0.00 0.00 55.36 54.61 1sm7 s GLN 74 Cb -0.16 -3.90 -0.08 0.00 1.00 0.00 0.00 33.01 29.87 1sm7 s GLN 74 CO 0.21 -0.82 -0.32 0.41 -2.12 0.00 0.00 175.29 172.66 1sm7 n GLY 75 N 5.08 -0.45 2.27 3.09 0.00 -1.26 -4.76 105.19 109.16 1sm7 n GLY 75 Ca -0.11 -0.22 -0.17 0.00 0.00 0.00 0.00 46.02 45.51 1sm7 n GLY 75 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1sm7 n GLN 76 N -4.26 3.07 0.00 1.61 6.02 -1.26 -4.98 117.38 117.58 1sm7 n GLN 76 Ca -0.28 -3.99 0.00 0.00 -0.01 0.00 0.00 57.00 52.72 1sm7 n GLN 76 Cb 0.63 -2.08 0.00 0.00 1.02 0.00 0.00 30.24 29.81 1sm7 n GLN 76 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 177.06 173.66 1sm7 n HIS 77 N -0.66 0.00 0.00 1.08 1.44 -1.26 -5.13 115.22 110.69 1sm7 n HIS 77 Ca 0.33 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 56.04 1sm7 n HIS 77 Cb 0.91 0.00 0.00 0.00 0.12 0.00 0.00 29.99 31.02 1sm7 n HIS 77 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1sm7 n GLY 78 N 0.00 1.02 3.55 -1.39 0.00 -1.26 -5.05 105.19 102.06 1sm7 n GLY 78 Ca 0.00 -0.32 -0.39 0.00 0.00 0.00 0.00 46.02 45.32 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 0.00 3.01 0.00 1.61 0.04 -1.26 -3.71 135.00 134.69 1sm7 s PRO 79 Ca 0.00 -0.13 0.00 0.00 0.04 0.00 0.00 61.00 60.91 1sm7 s PRO 79 Cb 0.00 -4.53 0.00 0.00 0.04 0.00 0.00 34.50 30.01 1sm7 s PRO 79 CO 0.00 -2.48 0.00 0.34 0.04 0.00 0.00 177.00 174.90 1sm7 n PHE 80 N 10.85 0.00 0.00 0.56 7.35 -1.26 -5.02 117.46 129.95 1sm7 n PHE 80 Ca 0.17 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.86 1sm7 n PHE 80 Cb 0.50 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.33 1sm7 n PHE 80 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 1sm7 n GLN 81 N 0.00 0.00 -0.32 -4.13 1.13 -1.24 -2.77 117.38 110.05 1sm7 n GLN 81 Ca 0.00 0.43 0.25 0.00 -1.94 0.00 0.00 57.00 55.74 1sm7 n GLN 81 Cb 0.00 -1.33 0.47 0.00 0.11 0.00 0.00 30.24 29.49 1sm7 n GLN 81 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 1sm7 n SER 82 N -1.78 0.18 0.00 1.08 3.41 -1.26 0.74 113.62 115.99 1sm7 n SER 82 Ca 0.00 1.61 0.00 0.00 -0.26 0.00 0.00 58.87 60.22 1sm7 n SER 82 Cb 0.00 -0.72 0.00 0.00 -0.26 0.00 0.00 64.21 63.23 1sm7 n SER 82 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1sm7 n THR 83 N -5.27 0.00 -0.05 6.66 -1.04 -1.17 -0.57 114.28 112.84 1sm7 n THR 83 Ca 0.32 1.37 -0.15 0.00 -2.04 0.00 0.00 64.05 63.55 1sm7 n THR 83 Cb 1.07 -2.02 -0.07 0.00 -1.82 0.00 0.00 70.33 67.49 1sm7 n THR 83 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 1sm7 h ARG 84 N 0.00 0.60 -0.96 -2.82 2.43 -0.87 -2.84 114.38 109.92 1sm7 h ARG 84 Ca 0.00 -0.41 0.12 0.00 -0.81 0.00 0.00 59.98 58.87 1sm7 h ARG 84 Cb 0.00 0.06 -0.13 0.00 -0.42 0.00 0.00 29.97 29.48 1sm7 h ARG 84 CO 0.00 1.03 -0.48 -0.89 -1.51 0.00 0.00 179.97 178.12 1sm7 n ILE 85 N -4.23 -0.59 -0.20 1.20 2.08 0.23 0.32 119.36 118.17 1sm7 n ILE 85 Ca -0.06 2.29 -0.07 0.00 0.56 0.00 0.00 62.75 65.47 1sm7 n ILE 85 Cb 0.56 -2.92 0.02 0.00 -0.75 0.00 0.00 39.64 36.55 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 0.00 0.83 0.00 1.39 -1.99 -0.85 0.21 116.97 116.56 1sm7 h TYR 86 Ca 0.24 -0.05 0.00 0.00 2.00 0.00 0.00 58.73 60.92 1sm7 h TYR 86 Cb 0.48 -0.25 0.00 0.00 2.00 0.00 0.00 36.73 38.95 1sm7 h TYR 86 CO -0.92 0.65 0.19 1.96 -0.00 0.00 0.00 178.16 180.03 1sm7 h GLN 87 N 0.77 0.00 0.00 4.88 4.20 0.12 0.84 115.11 125.92 1sm7 h GLN 87 Ca 0.19 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.65 1sm7 h GLN 87 Cb 0.14 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.88 1sm7 h GLN 87 CO -0.02 0.00 -1.94 -0.89 -0.67 0.00 0.00 178.83 175.30 1sm7 n ILE 88 N -2.18 0.95 1.67 2.54 5.41 -0.29 -4.28 119.36 123.18 1sm7 n ILE 88 Ca -0.01 -0.48 0.10 0.00 1.00 0.00 0.00 62.75 63.36 1sm7 n ILE 88 Cb 0.22 -0.85 0.50 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 -2.72 2.58 0.00 -1.39 0.00 0.60 -3.35 120.51 116.23 1sm7 n ALA 89 Ca -0.26 -0.30 -0.08 0.00 0.00 0.00 0.00 53.44 52.81 1sm7 n ALA 89 Cb 0.89 -1.22 -0.13 0.00 0.00 0.00 0.00 19.45 18.98 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 0.98 0.00 -0.67 0.00 5.09 0.43 -3.23 116.57 119.17 1sm7 h LYS 90 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 1sm7 h LYS 90 Cb 0.21 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.54 1sm7 h LYS 90 CO 0.00 0.59 0.00 0.27 -2.09 0.00 0.00 179.45 178.22 1sm7 n ASN 91 N -3.11 2.66 0.00 7.07 6.94 -1.21 -4.17 115.26 123.45 1sm7 n ASN 91 Ca -0.12 -2.28 -0.03 0.00 -0.02 0.00 0.00 54.58 52.12 1sm7 n ASN 91 Cb 1.01 -0.47 -0.02 0.00 -2.36 0.00 0.00 39.78 37.94 1sm7 n ASN 91 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 1sm7 h LEU 92 N 1.77 -0.11 0.00 -4.53 3.38 -1.72 -2.99 115.31 111.11 1sm7 h LEU 92 Ca 0.00 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1sm7 h LEU 92 Cb 0.93 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1sm7 h LEU 92 CO 0.15 0.41 0.00 -0.81 0.09 0.00 0.00 178.44 178.28 1sm7 n PRO 93 N -4.85 0.73 -0.02 1.13 -0.04 -1.26 0.03 135.00 130.72 1sm7 n PRO 93 Ca -0.03 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.29 1sm7 n PRO 93 Cb 0.09 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 31.91 1sm7 n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1sm7 n ASN 94 N -1.02 1.48 -0.06 3.54 3.02 -1.25 -2.68 115.26 118.29 1sm7 n ASN 94 Ca 0.18 0.28 0.08 0.00 -0.03 0.00 0.00 54.58 55.08 1sm7 n ASN 94 Cb 0.09 -0.42 -0.08 0.00 -0.61 0.00 0.00 39.78 38.76 1sm7 n ASN 94 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1sm7 n VAL 95 N -3.25 0.00 -2.31 2.41 0.31 -1.05 -4.36 118.33 110.08 1sm7 n VAL 95 Ca -0.26 -0.16 -0.07 0.00 -0.01 0.00 0.00 64.34 63.84 1sm7 n VAL 95 Cb 1.05 1.03 0.06 0.00 -0.91 0.00 0.00 33.84 35.07 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 -0.56 -0.04 -0.19 0.00 3.02 -1.09 -4.63 115.26 111.77 1sm7 n ASN 97 Ca 0.22 0.01 0.09 0.00 -0.03 0.00 0.00 54.58 54.86 1sm7 n ASN 97 Cb 0.90 -0.28 0.15 0.00 -0.61 0.00 0.00 39.78 39.93 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 2.66 1.31 -2.74 3.52 0.00 -1.26 -4.67 117.12 115.94 1sm7 n MET 98 Ca 0.23 -2.69 -0.09 0.00 0.00 0.00 0.00 57.70 55.14 1sm7 n MET 98 Cb 0.02 -1.50 0.08 0.00 0.00 0.00 0.00 33.22 31.82 1sm7 n MET 98 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 175.97 176.33 1sm7 n LYS 99 N -1.34 1.12 -0.65 3.17 0.00 -1.26 -4.66 118.16 114.54 1sm7 n LYS 99 Ca 0.16 -2.23 0.50 0.00 -0.00 0.00 0.00 58.31 56.74 1sm7 n LYS 99 Cb 0.65 -0.65 0.80 0.00 -0.00 0.00 0.00 35.03 35.84 1sm7 n LYS 99 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.40 177.77 1sm7 h GLN 100 N 2.52 0.00 0.62 -1.58 -0.00 -1.98 0.58 115.11 115.26 1sm7 h GLN 100 Ca -0.17 -0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.45 1sm7 h GLN 100 Cb 1.20 -0.00 0.01 0.00 0.00 0.00 0.00 27.48 28.68 1sm7 h GLN 100 CO 0.13 0.00 -0.30 0.97 0.00 0.00 0.00 178.83 179.64 1sm7 h ILE 101 N 0.00 0.10 0.00 2.39 6.09 -2.00 -3.49 117.51 120.60 1sm7 h ILE 101 Ca 0.90 -0.38 0.00 0.00 -1.37 0.00 0.00 64.86 64.01 1sm7 h ILE 101 Cb 3.53 0.14 0.00 0.00 0.47 0.00 0.00 36.82 40.96 1sm7 h ILE 101 CO -0.05 0.02 0.00 0.61 -3.07 0.00 0.00 178.15 175.65 1sm7 n GLY 102 N -0.46 0.62 0.00 8.18 0.00 0.20 -5.11 105.19 108.62 1sm7 n GLY 102 Ca -0.11 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 0.00 -3.39 2.61 -1.04 -1.26 -4.60 114.28 106.60 1sm7 n THR 103 Ca 0.00 0.65 -0.27 0.00 -2.04 0.00 0.00 64.05 62.40 1sm7 n THR 103 Cb 0.00 -1.40 -0.08 0.00 -1.82 0.00 0.00 70.33 67.03 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 0.87 1.84 -0.44 0.00 -0.04 -1.26 -4.38 135.00 131.59 1sm7 n PRO 105 Ca 0.29 -1.10 0.05 0.00 -0.04 0.00 0.00 63.50 62.71 1sm7 n PRO 105 Cb 0.42 -2.15 0.23 0.00 -0.04 0.00 0.00 33.50 31.96 1sm7 n PRO 105 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 1sm7 n PHE 106 N 3.29 1.03 -2.17 0.54 -1.74 -1.26 -4.94 117.46 112.21 1sm7 n PHE 106 Ca 0.39 -0.39 -0.41 0.00 -0.56 0.00 0.00 57.45 56.48 1sm7 n PHE 106 Cb 0.41 -0.23 -0.03 0.00 1.52 0.00 0.00 39.48 41.15 1sm7 n PHE 106 CO 0.00 0.00 0.00 0.96 -0.56 0.00 0.00 176.76 177.16 1sm7 s ILE 107 N -1.84 2.99 0.00 1.97 -4.36 -1.26 -4.37 121.20 114.32 1sm7 s ILE 107 Ca 0.32 0.87 0.00 0.00 -0.26 0.00 0.00 60.65 61.58 1sm7 s ILE 107 Cb 0.22 -3.56 0.00 0.00 1.25 0.00 0.00 42.46 40.37 1sm7 s ILE 107 CO 0.13 0.16 0.00 0.00 0.24 0.00 0.00 174.94 175.47 1sm7 n ALA 108 N 1.96 0.00 0.00 2.27 0.00 -1.26 -5.17 120.51 118.31 1sm7 n ALA 108 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1sm7 n ALA 108 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 1sm7 n ALA 108 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61