#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 0.24 -0.03 3.69 -0.04 -1.26 -4.97 135.00 132.63 1sm7 n PRO 2 Ca 0.00 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.31 1sm7 n PRO 2 Cb 0.00 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.32 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 -0.68 0.69 0.21 0.54 7.27 -1.26 -3.64 117.38 120.52 1sm7 n GLN 3 Ca 0.00 0.23 -0.15 0.00 0.07 0.00 0.00 57.00 57.16 1sm7 n GLN 3 Cb 0.00 -1.70 -0.08 0.00 2.41 0.00 0.00 30.24 30.87 1sm7 n GLN 3 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 1sm7 h LYS 4 N 0.03 -0.51 -0.52 3.69 3.64 -1.95 -1.15 116.57 119.80 1sm7 h LYS 4 Ca -0.40 0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.10 1sm7 h LYS 4 Cb 2.04 0.11 -0.07 0.00 -0.41 0.00 0.00 32.23 33.90 1sm7 h LYS 4 CO 0.06 -0.24 0.14 0.00 -2.27 0.00 0.00 179.45 177.14 1sm7 h GLN 6 N 0.29 0.00 -0.51 0.00 4.20 -1.59 0.67 115.11 118.17 1sm7 h GLN 6 Ca 0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.97 1sm7 h GLN 6 Cb 0.33 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.11 1sm7 h GLN 6 CO -0.31 0.00 0.00 -2.13 -0.67 0.00 0.00 178.83 175.72 1sm7 n ARG 7 N -4.34 2.22 0.00 1.46 0.63 0.99 -3.70 116.66 113.92 1sm7 n ARG 7 Ca 0.03 -1.90 0.00 0.00 -0.92 0.00 0.00 57.85 55.06 1sm7 n ARG 7 Cb 0.34 -1.42 0.00 0.00 0.45 0.00 0.00 32.46 31.83 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 1.05 3.09 0.09 -0.14 -0.58 0.72 -4.07 120.64 120.80 1sm7 n GLU 8 Ca 0.18 0.00 -0.23 0.00 -0.42 0.00 0.00 57.16 56.69 1sm7 n GLU 8 Cb 0.45 -0.90 -0.15 0.00 -0.57 0.00 0.00 31.44 30.27 1sm7 n GLU 8 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 1sm7 h PHE 9 N 0.00 0.74 0.00 -0.32 3.04 -0.02 -3.25 116.94 117.13 1sm7 h PHE 9 Ca 0.00 -0.54 0.00 0.00 3.98 0.00 0.00 57.97 61.41 1sm7 h PHE 9 Cb 0.76 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 39.24 1sm7 h PHE 9 CO 0.00 1.50 -1.05 0.94 -2.02 0.00 0.00 178.31 177.68 1sm7 n GLN 10 N -3.86 0.26 -0.12 1.11 7.27 -1.24 -1.10 117.38 119.69 1sm7 n GLN 10 Ca -0.18 -0.01 -0.07 0.00 0.07 0.00 0.00 57.00 56.81 1sm7 n GLN 10 Cb 0.98 -1.57 -0.00 0.00 2.41 0.00 0.00 30.24 32.06 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 -0.20 0.00 3.69 -0.00 -1.70 -3.41 115.11 113.49 1sm7 h GLN 11 Ca 0.00 0.01 -0.02 0.00 -0.00 0.00 0.00 58.65 58.64 1sm7 h GLN 11 Cb 0.70 0.05 -0.02 0.00 0.00 0.00 0.00 27.48 28.21 1sm7 h GLN 11 CO 0.00 -0.13 -0.05 -0.85 0.00 0.00 0.00 178.83 177.80 1sm7 n GLU 12 N -5.41 0.04 -2.73 1.69 0.28 -1.26 -5.01 120.64 108.24 1sm7 n GLU 12 Ca 0.02 -0.17 -0.08 0.00 -0.16 0.00 0.00 57.16 56.76 1sm7 n GLU 12 Cb 0.32 0.43 0.09 0.00 1.43 0.00 0.00 31.44 33.72 1sm7 n GLU 12 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1sm7 n GLN 13 N -0.04 1.13 0.00 3.44 6.02 -1.22 -5.10 117.38 121.60 1sm7 n GLN 13 Ca -0.04 -2.06 0.00 0.00 -0.01 0.00 0.00 57.00 54.88 1sm7 n GLN 13 Cb 0.37 -0.54 0.00 0.00 1.02 0.00 0.00 30.24 31.09 1sm7 n GLN 13 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1sm7 n HIS 14 N -0.21 -0.12 -4.63 1.08 8.25 -0.26 -4.66 115.22 114.66 1sm7 n HIS 14 Ca 0.02 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.20 1sm7 n HIS 14 Cb 0.79 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.80 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 2.81 0.00 2.41 1.43 -1.26 -5.01 118.68 119.06 1sm7 s LEU 15 Ca 0.00 -1.40 0.00 0.00 -1.03 0.00 0.00 54.13 51.70 1sm7 s LEU 15 Cb 0.00 -0.87 0.00 0.00 0.03 0.00 0.00 46.19 45.35 1sm7 s LEU 15 CO 0.00 -0.49 0.00 -2.11 0.23 0.00 0.00 176.35 173.98 1sm7 n ARG 16 N -0.99 0.00 -0.27 1.70 0.00 -1.26 -4.81 116.66 111.03 1sm7 n ARG 16 Ca -0.06 0.00 0.01 0.00 -0.00 0.00 0.00 57.85 57.80 1sm7 n ARG 16 Cb 0.67 0.00 0.06 0.00 -0.00 0.00 0.00 32.46 33.19 1sm7 n ARG 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1sm7 n ALA 17 N -1.50 0.02 0.23 2.89 0.00 -1.26 0.20 120.51 121.09 1sm7 n ALA 17 Ca 0.00 0.75 -0.16 0.00 0.00 0.00 0.00 53.44 54.03 1sm7 n ALA 17 Cb 0.00 -0.38 -0.08 0.00 0.00 0.00 0.00 19.45 18.99 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 -5.49 1.22 0.00 0.00 10.64 0.11 -3.99 117.38 119.86 1sm7 n GLN 19 Ca -0.10 -0.48 0.00 0.00 -1.83 0.00 0.00 57.00 54.59 1sm7 n GLN 19 Cb 0.39 -1.19 0.00 0.00 -0.86 0.00 0.00 30.24 28.58 1sm7 n GLN 19 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 1sm7 n GLN 20 N 0.54 0.00 0.23 2.61 1.13 0.13 -4.69 117.38 117.33 1sm7 n GLN 20 Ca 0.10 0.00 0.16 0.00 -1.94 0.00 0.00 57.00 55.32 1sm7 n GLN 20 Cb 0.63 -0.17 0.85 0.00 0.11 0.00 0.00 30.24 31.66 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 0.00 0.00 1.08 5.08 0.14 0.34 115.95 122.59 1sm7 h TRP 21 Ca 0.00 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.96 1sm7 h TRP 21 Cb 0.00 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.16 1sm7 h TRP 21 CO 0.00 0.00 -0.03 0.82 -1.28 0.00 0.00 178.44 177.95 1sm7 h ILE 22 N 0.00 0.22 0.00 0.12 2.04 -1.78 -0.36 117.51 117.76 1sm7 h ILE 22 Ca 0.06 -0.23 -0.20 0.00 1.00 0.00 0.00 64.86 65.48 1sm7 h ILE 22 Cb 0.36 1.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 1sm7 h ILE 22 CO -0.00 0.03 -1.33 0.03 0.00 0.00 0.00 178.15 176.88 1sm7 h ARG 23 N 0.00 0.00 0.00 2.37 -0.00 -0.66 -3.31 114.38 112.79 1sm7 h ARG 23 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1sm7 h ARG 23 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.15 1sm7 h ARG 23 CO 0.00 0.48 0.00 1.04 0.00 0.00 0.00 179.97 181.49 1sm7 n GLN 24 N -3.05 0.13 0.02 0.04 3.00 -0.19 -2.72 117.38 114.61 1sm7 n GLN 24 Ca -0.09 0.10 0.11 0.00 -0.01 0.00 0.00 57.00 57.12 1sm7 n GLN 24 Cb 0.91 -1.50 0.48 0.00 0.00 0.00 0.00 30.24 30.12 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 -1.41 0.03 -2.70 -1.09 1.13 -0.92 -4.82 117.38 107.60 1sm7 n GLN 25 Ca 0.07 0.14 -0.11 0.00 -1.94 0.00 0.00 57.00 55.16 1sm7 n GLN 25 Cb 0.22 -1.55 -0.01 0.00 0.11 0.00 0.00 30.24 29.01 1sm7 n GLN 25 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1sm7 n LEU 26 N -1.61 0.00 -0.38 1.08 4.32 -1.10 -5.01 117.00 114.29 1sm7 n LEU 26 Ca 0.05 -1.15 0.03 0.00 -0.02 0.00 0.00 56.01 54.92 1sm7 n LEU 26 Cb 0.28 0.06 0.08 0.00 -1.62 0.00 0.00 43.42 42.22 1sm7 n LEU 26 CO 0.22 -0.27 0.55 0.00 -1.22 0.00 0.00 177.39 176.67 1sm7 n ALA 27 N -2.48 2.50 -1.30 -1.18 0.00 -1.26 -4.13 120.51 112.67 1sm7 n ALA 27 Ca -0.07 -0.33 -0.28 0.00 0.00 0.00 0.00 53.44 52.75 1sm7 n ALA 27 Cb 0.24 -0.99 0.04 0.00 0.00 0.00 0.00 19.45 18.74 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 0.74 4.96 3.07 0.00 0.00 -1.26 -4.80 105.19 107.90 1sm7 n GLY 28 Ca 0.06 -1.85 -0.35 0.00 0.00 0.00 0.00 46.02 43.88 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 -0.66 5.45 0.99 1.61 0.15 -1.26 -4.72 113.70 115.26 1sm7 s SER 29 Ca 0.51 -3.33 -0.15 0.00 0.70 0.00 0.00 55.95 53.68 1sm7 s SER 29 Cb 0.39 -1.84 0.19 0.00 -1.71 0.00 0.00 66.02 63.04 1sm7 s SER 29 CO -0.10 -0.26 1.18 -2.16 1.20 0.00 0.00 173.24 173.11 1sm7 s PRO 30 N -0.76 0.44 -0.30 5.44 0.04 -1.26 -4.90 135.00 133.71 1sm7 s PRO 30 Ca 0.22 -0.00 -0.17 0.00 0.04 0.00 0.00 61.00 61.09 1sm7 s PRO 30 Cb -0.13 -1.78 0.20 0.00 0.04 0.00 0.00 34.50 32.82 1sm7 s PRO 30 CO -0.08 -2.61 1.23 -0.59 0.04 0.00 0.00 177.00 174.98 1sm7 s PHE 31 N -3.40 -0.14 -0.03 0.56 -0.12 -1.26 -4.94 117.98 108.66 1sm7 s PHE 31 Ca 0.68 0.26 -0.05 0.00 -0.05 0.00 0.00 56.93 57.78 1sm7 s PHE 31 Cb -0.10 0.08 -0.03 0.00 -0.63 0.00 0.00 43.02 42.34 1sm7 s PHE 31 CO 0.54 -0.07 0.34 1.03 -0.05 0.00 0.00 175.22 177.01 1sm7 h SER 32 N 5.61 -0.15 -1.69 1.98 0.87 -1.99 -3.44 113.55 114.75 1sm7 h SER 32 Ca -0.24 0.01 -0.50 0.00 -1.23 0.00 0.00 61.79 59.82 1sm7 h SER 32 Cb 1.15 0.04 -0.35 0.00 -0.44 0.00 0.00 62.40 62.80 1sm7 h SER 32 CO 0.20 0.07 -1.02 1.21 -0.53 0.00 0.00 176.83 176.76 1sm7 n GLU 33 N -3.43 0.75 0.00 2.24 2.13 -1.26 -5.07 120.64 116.00 1sm7 n GLU 33 Ca -0.02 -3.00 0.00 0.00 0.66 0.00 0.00 57.16 54.79 1sm7 n GLU 33 Cb 0.07 -1.28 0.00 0.00 0.27 0.00 0.00 31.44 30.49 1sm7 n GLU 33 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1sm7 n ASN 34 N 1.34 0.00 -3.10 4.31 5.15 -1.26 -5.17 115.26 116.52 1sm7 n ASN 34 Ca 0.19 0.00 -0.05 0.00 -0.60 0.00 0.00 54.58 54.12 1sm7 n ASN 34 Cb 0.56 0.00 0.05 0.00 -0.53 0.00 0.00 39.78 39.85 1sm7 n ASN 34 CO 0.00 0.00 0.00 1.67 1.40 0.00 0.00 177.26 180.33 1sm7 n GLN 35 N -0.03 -1.01 0.00 1.20 7.27 -1.26 -4.74 117.38 118.80 1sm7 n GLN 35 Ca 0.00 -0.24 0.00 0.00 0.07 0.00 0.00 57.00 56.83 1sm7 n GLN 35 Cb 0.00 -0.40 0.00 0.00 2.41 0.00 0.00 30.24 32.25 1sm7 n GLN 35 CO 0.00 0.00 0.00 1.87 0.07 0.00 0.00 177.06 179.00 1sm7 n TRP 36 N -3.19 0.00 0.00 3.69 -0.00 -1.26 -4.72 117.44 111.96 1sm7 n TRP 36 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.52 1sm7 n TRP 36 Cb 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.41 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 -0.29 -2.45 0.09 5.87 0.00 -1.26 -2.74 105.19 104.40 1sm7 n GLY 37 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.08 -0.28 1.61 0.13 -1.96 -1.68 132.00 129.73 1sm7 h PRO 38 Ca 0.00 0.01 0.03 0.00 -0.87 0.00 0.00 66.00 65.17 1sm7 h PRO 38 Cb 0.00 0.02 -0.05 0.00 0.13 0.00 0.00 31.00 31.10 1sm7 h PRO 38 CO 0.00 0.25 -0.31 0.37 -0.23 0.00 0.00 178.00 178.08 1sm7 h GLN 39 N -0.99 -0.18 -0.95 0.86 -0.00 -1.95 0.16 115.11 112.07 1sm7 h GLN 39 Ca -0.01 0.01 -0.16 0.00 -0.00 0.00 0.00 58.65 58.50 1sm7 h GLN 39 Cb 0.37 0.04 -0.09 0.00 0.00 0.00 0.00 27.48 27.80 1sm7 h GLN 39 CO 0.01 -0.12 0.20 0.94 0.00 0.00 0.00 178.83 179.86 1sm7 n GLN 40 N -4.19 1.87 0.15 1.69 7.27 -1.21 -4.46 117.38 118.49 1sm7 n GLN 40 Ca -0.01 -1.30 -0.06 0.00 0.07 0.00 0.00 57.00 55.70 1sm7 n GLN 40 Cb 0.18 -1.60 -0.03 0.00 2.41 0.00 0.00 30.24 31.20 1sm7 n GLN 40 CO 0.00 0.00 0.00 0.78 0.07 0.00 0.00 177.06 177.91 1sm7 h GLY 41 N 3.28 -0.40 2.00 1.69 0.00 0.32 -3.26 103.07 106.70 1sm7 h GLY 41 Ca 0.19 0.15 -0.03 0.00 0.00 0.00 0.00 47.33 47.64 1sm7 h GLY 41 CO 0.39 -0.15 -0.15 -0.56 0.00 0.00 0.00 176.54 176.08 1sm7 h PRO 42 N -0.45 0.00 -4.74 4.80 0.13 -1.78 -3.40 132.00 126.56 1sm7 h PRO 42 Ca -0.04 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.52 1sm7 h PRO 42 Cb 0.30 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.46 1sm7 h PRO 42 CO 0.06 0.15 1.96 0.43 -0.23 0.00 0.00 178.00 180.37 1sm7 n SER 43 N -3.21 2.59 0.00 1.44 7.64 -1.23 -1.79 113.62 119.06 1sm7 n SER 43 Ca 0.02 -2.68 0.00 0.00 1.01 0.00 0.00 58.87 57.22 1sm7 n SER 43 Cb 0.47 -1.24 0.00 0.00 -1.01 0.00 0.00 64.21 62.43 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 9.23 0.00 -0.07 -3.43 4.77 -1.26 -4.91 117.00 121.33 1sm7 n LEU 44 Ca 0.48 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 56.34 1sm7 n LEU 44 Cb 0.42 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.45 1sm7 n LEU 44 CO 0.96 0.00 0.67 -0.09 -1.33 0.00 0.00 177.39 177.60 1sm7 h ARG 45 N 0.00 0.40 -0.29 3.23 9.65 -1.62 0.69 114.38 126.43 1sm7 h ARG 45 Ca 0.00 -0.17 -0.14 0.00 -1.10 0.00 0.00 59.98 58.57 1sm7 h ARG 45 Cb 0.00 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.56 1sm7 h ARG 45 CO 0.00 0.69 -0.38 0.93 2.80 0.00 0.00 179.97 184.01 1sm7 h GLU 46 N 0.09 0.68 0.34 0.20 5.08 -1.94 -0.56 114.58 118.47 1sm7 h GLU 46 Ca 0.04 -0.34 -0.02 0.00 -1.00 0.00 0.00 59.36 58.04 1sm7 h GLU 46 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1sm7 h GLU 46 CO 0.03 0.95 -0.16 0.37 -1.00 0.00 0.00 179.01 179.20 1sm7 h GLN 47 N 0.57 -0.44 -0.43 2.33 4.15 -1.86 -2.67 115.11 116.76 1sm7 h GLN 47 Ca 0.05 0.03 0.07 0.00 0.77 0.00 0.00 58.65 59.57 1sm7 h GLN 47 Cb 0.91 0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.67 1sm7 h GLN 47 CO 0.08 -0.12 0.29 0.00 -1.93 0.00 0.00 178.83 177.15 1sm7 n ASN 50 N -1.48 0.89 0.30 0.00 3.02 0.83 -4.20 115.26 114.62 1sm7 n ASN 50 Ca 0.01 0.02 0.19 0.00 -0.03 0.00 0.00 54.58 54.76 1sm7 n ASN 50 Cb 0.04 -0.06 0.96 0.00 -0.61 0.00 0.00 39.78 40.11 1sm7 n ASN 50 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 1sm7 h GLU 51 N -0.07 0.00 0.00 3.52 4.11 0.36 0.47 114.58 122.98 1sm7 h GLU 51 Ca -0.06 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 59.13 1sm7 h GLU 51 Cb 1.06 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.26 1sm7 h GLU 51 CO -0.03 0.00 -1.99 1.47 0.07 0.00 0.00 179.01 178.53 1sm7 n LEU 52 N -3.22 0.32 -0.54 3.06 -0.00 -0.29 -4.27 117.00 112.07 1sm7 n LEU 52 Ca -0.01 0.14 0.13 0.00 -0.00 0.00 0.00 56.01 56.28 1sm7 n LEU 52 Cb 0.26 0.26 0.47 0.00 -0.00 0.00 0.00 43.42 44.41 1sm7 n LEU 52 CO 0.20 0.31 0.84 0.00 -0.00 0.00 0.00 177.39 178.73 1sm7 n TYR 53 N -2.73 0.03 -0.01 1.47 4.19 0.50 -4.17 117.16 116.43 1sm7 n TYR 53 Ca -0.20 -0.02 -0.10 0.00 3.31 0.00 0.00 57.90 60.90 1sm7 n TYR 53 Cb 0.96 0.00 -0.04 0.00 0.49 0.00 0.00 39.34 40.75 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 2.56 -0.02 -0.07 2.98 3.07 -0.40 -0.35 115.11 122.89 1sm7 h GLN 54 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1sm7 h GLN 54 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.11 1sm7 h GLN 54 CO 0.00 -0.01 0.00 0.39 0.09 0.00 0.00 178.83 179.30 1sm7 n GLU 55 N -5.18 1.37 0.00 0.06 1.02 -1.26 -5.02 120.64 111.63 1sm7 n GLU 55 Ca -0.04 -0.55 0.00 0.00 -0.02 0.00 0.00 57.16 56.56 1sm7 n GLU 55 Cb 0.11 -1.37 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 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 -0.25 -0.99 -0.33 1.62 2.03 -0.14 -3.83 116.55 114.66 1sm7 n ASP 56 Ca 0.16 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.44 1sm7 n ASP 56 Cb 0.21 0.00 0.09 0.00 -0.72 0.00 0.00 41.12 40.70 1sm7 n ASP 56 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 1sm7 h GLN 57 N 0.00 1.14 -1.34 -0.67 7.50 -1.85 -1.11 115.11 118.78 1sm7 h GLN 57 Ca 0.00 -0.07 0.47 0.00 0.50 0.00 0.00 58.65 59.55 1sm7 h GLN 57 Cb 0.00 -0.26 -0.14 0.00 0.05 0.00 0.00 27.48 27.13 1sm7 h GLN 57 CO 0.00 0.75 0.85 0.28 -1.50 0.00 0.00 178.83 179.22 1sm7 n VAL 58 N -4.49 -0.26 -3.09 -0.54 0.31 -1.26 -0.27 118.33 108.74 1sm7 n VAL 58 Ca 0.10 1.81 -0.28 0.00 -0.01 0.00 0.00 64.34 65.96 1sm7 n VAL 58 Cb 0.03 -2.96 -0.05 0.00 -0.91 0.00 0.00 33.84 29.95 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 0.17 0.00 0.00 0.00 0.31 0.63 -4.66 118.33 114.78 1sm7 n VAL 60 Ca 0.31 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.64 1sm7 n VAL 60 Cb 0.39 -0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.32 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 -0.46 0.56 -0.32 0.00 -0.04 -1.26 -3.96 135.00 129.52 1sm7 n PRO 62 Ca 0.00 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.58 1sm7 n PRO 62 Cb 0.00 -1.20 0.25 0.00 -0.04 0.00 0.00 33.50 32.51 1sm7 n PRO 62 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1sm7 h THR 63 N 0.00 0.13 -0.95 0.52 2.02 -1.89 0.48 112.91 113.20 1sm7 h THR 63 Ca 0.00 -0.02 0.17 0.00 0.77 0.00 0.00 66.41 67.33 1sm7 h THR 63 Cb 0.00 0.07 -0.10 0.00 -1.74 0.00 0.00 68.15 66.38 1sm7 h THR 63 CO 0.00 0.01 0.56 0.25 0.37 0.00 0.00 175.52 176.70 1sm7 h LEU 64 N 0.05 0.72 -0.98 2.58 6.46 -1.83 0.30 115.31 122.61 1sm7 h LEU 64 Ca 0.55 0.09 0.28 0.00 -0.12 0.00 0.00 57.88 58.68 1sm7 h LEU 64 Cb 1.09 -0.04 -0.14 0.00 -0.73 0.00 0.00 40.66 40.84 1sm7 h LEU 64 CO -0.84 0.29 0.53 0.50 -0.62 0.00 0.00 178.44 178.30 1sm7 h LYS 65 N 0.75 0.38 -0.60 1.25 3.11 -0.36 0.24 116.57 121.35 1sm7 h LYS 65 Ca 0.53 -0.02 0.06 0.00 -2.81 0.00 0.00 60.65 58.41 1sm7 h LYS 65 Cb 0.76 -0.09 -0.06 0.00 -1.00 0.00 0.00 32.23 31.85 1sm7 h LYS 65 CO -0.36 0.25 0.30 0.37 -2.81 0.00 0.00 179.45 177.20 1sm7 h GLN 66 N 0.40 0.54 0.00 1.90 4.15 -0.40 0.41 115.11 122.11 1sm7 h GLN 66 Ca 0.68 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 60.06 1sm7 h GLN 66 Cb 1.43 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 29.00 1sm7 h GLN 66 CO -0.57 0.36 0.00 0.00 -1.93 0.00 0.00 178.83 176.69 1sm7 h ALA 67 N 1.34 1.00 0.00 3.38 0.00 -0.63 -2.85 119.26 121.50 1sm7 h ALA 67 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1sm7 h ALA 67 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1sm7 h ALA 67 CO -0.20 0.00 -0.67 0.00 0.00 0.00 0.00 179.25 178.38 1sm7 h ALA 68 N 2.12 0.56 0.80 0.00 0.00 0.10 -3.20 119.26 119.64 1sm7 h ALA 68 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1sm7 h ALA 68 Cb 0.56 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1sm7 h ALA 68 CO 0.00 0.00 -0.48 0.87 0.00 0.00 0.00 179.25 179.64 1sm7 h LYS 69 N 0.00 -1.15 -0.95 0.00 1.79 -0.04 -2.69 116.57 113.54 1sm7 h LYS 69 Ca 0.00 0.08 -0.55 0.00 -2.18 0.00 0.00 60.65 57.99 1sm7 h LYS 69 Cb 0.76 0.26 -0.29 0.00 -1.58 0.00 0.00 32.23 31.38 1sm7 h LYS 69 CO 0.00 -0.77 0.64 0.45 -1.08 0.00 0.00 179.45 178.70 1sm7 n SER 70 N -5.48 5.12 0.23 0.86 2.88 -1.26 -4.60 113.62 111.36 1sm7 n SER 70 Ca -0.15 -3.69 0.17 0.00 -1.33 0.00 0.00 58.87 53.87 1sm7 n SER 70 Cb 0.49 -0.86 0.78 0.00 -0.75 0.00 0.00 64.21 63.87 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 1.03 0.16 0.00 2.46 3.04 -1.47 -3.32 116.25 118.16 1sm7 h VAL 71 Ca 0.59 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.28 1sm7 h VAL 71 Cb 2.01 0.65 0.00 0.00 -2.01 0.00 0.00 31.29 31.94 1sm7 h VAL 71 CO 1.23 0.00 -0.16 0.54 -1.01 0.00 0.00 177.57 178.16 1sm7 n ARG 72 N -3.23 0.00 -1.50 4.17 5.12 -1.26 -4.67 116.66 115.28 1sm7 n ARG 72 Ca 0.02 0.00 -0.49 0.00 -1.93 0.00 0.00 57.85 55.45 1sm7 n ARG 72 Cb 0.49 -0.20 -0.04 0.00 -1.16 0.00 0.00 32.46 31.55 1sm7 n ARG 72 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1sm7 n VAL 73 N -2.37 1.45 -2.04 1.55 0.31 -1.25 -4.89 118.33 111.09 1sm7 n VAL 73 Ca 0.00 -0.36 -0.00 0.00 -0.01 0.00 0.00 64.34 63.96 1sm7 n VAL 73 Cb 0.08 -0.42 -0.01 0.00 -0.91 0.00 0.00 33.84 32.58 1sm7 n VAL 73 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1sm7 n GLN 74 N 1.19 0.00 0.00 5.55 7.27 -1.26 -4.76 117.38 125.38 1sm7 n GLN 74 Ca 0.16 -0.60 0.00 0.00 0.07 0.00 0.00 57.00 56.62 1sm7 n GLN 74 Cb 0.24 -0.11 0.00 0.00 2.41 0.00 0.00 30.24 32.78 1sm7 n GLN 74 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1sm7 n GLY 75 N 0.04 0.70 3.39 1.69 0.00 -1.26 -5.11 105.19 104.64 1sm7 n GLY 75 Ca -0.03 -0.03 0.03 0.00 0.00 0.00 0.00 46.02 46.00 1sm7 n GLY 75 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1sm7 s GLN 76 N 0.00 0.03 0.00 1.61 -0.21 -1.26 -5.18 119.66 114.65 1sm7 s GLN 76 Ca 0.00 0.06 0.00 0.00 0.02 0.00 0.00 55.36 55.44 1sm7 s GLN 76 Cb 0.00 0.02 0.00 0.00 1.00 0.00 0.00 33.01 34.03 1sm7 s GLN 76 CO 0.00 -0.01 0.00 1.58 -2.12 0.00 0.00 175.29 174.74 1sm7 n HIS 77 N 3.87 0.00 -3.39 0.91 -0.00 -1.26 -5.03 115.22 110.32 1sm7 n HIS 77 Ca -0.11 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.07 1sm7 n HIS 77 Cb 0.56 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.43 1sm7 n HIS 77 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1sm7 n GLY 78 N 4.48 -0.62 3.55 1.57 0.00 -1.26 -5.08 105.19 107.83 1sm7 n GLY 78 Ca 0.00 -0.82 -0.39 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.78 2.89 0.00 1.61 0.04 -1.26 -3.87 135.00 133.64 1sm7 s PRO 79 Ca 0.00 0.10 0.00 0.00 0.04 0.00 0.00 61.00 61.14 1sm7 s PRO 79 Cb 0.00 -4.43 0.00 0.00 0.04 0.00 0.00 34.50 30.11 1sm7 s PRO 79 CO 0.00 -2.54 0.00 0.34 0.04 0.00 0.00 177.00 174.84 1sm7 n PHE 80 N 11.34 -0.07 0.00 0.56 7.35 -1.26 -5.00 117.46 130.38 1sm7 n PHE 80 Ca 0.16 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.85 1sm7 n PHE 80 Cb 0.50 0.01 0.00 0.00 0.35 0.00 0.00 39.48 40.35 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 -1.56 0.00 -0.30 -4.13 6.02 -1.25 -2.78 117.38 113.37 1sm7 n GLN 81 Ca 0.00 0.33 0.15 0.00 -0.01 0.00 0.00 57.00 57.47 1sm7 n GLN 81 Cb 0.00 -1.16 0.32 0.00 1.02 0.00 0.00 30.24 30.42 1sm7 n GLN 81 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 1sm7 h SER 82 N 0.00 0.12 -1.64 1.08 0.02 -1.94 0.76 113.55 111.95 1sm7 h SER 82 Ca 0.00 0.19 0.50 0.00 -0.84 0.00 0.00 61.79 61.64 1sm7 h SER 82 Cb 0.00 0.23 -0.10 0.00 0.14 0.00 0.00 62.40 62.67 1sm7 h SER 82 CO 0.00 -0.13 1.14 0.74 -1.14 0.00 0.00 176.83 177.44 1sm7 h THR 83 N 0.25 0.08 0.00 -2.27 2.02 -1.91 -0.16 112.91 110.92 1sm7 h THR 83 Ca 0.58 -0.01 -0.13 0.00 0.77 0.00 0.00 66.41 67.62 1sm7 h THR 83 Cb 1.19 0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 1sm7 h THR 83 CO -0.63 0.00 -1.36 -1.14 0.37 0.00 0.00 175.52 172.76 1sm7 n ARG 84 N -4.27 0.18 -0.33 6.66 0.63 0.13 -4.21 116.66 115.44 1sm7 n ARG 84 Ca 0.40 0.08 -0.05 0.00 -0.92 0.00 0.00 57.85 57.36 1sm7 n ARG 84 Cb 1.72 -0.80 -0.00 0.00 0.45 0.00 0.00 32.46 33.83 1sm7 n ARG 84 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 1sm7 h ILE 85 N -0.30 0.04 -0.17 5.15 1.08 0.54 0.41 117.51 124.26 1sm7 h ILE 85 Ca -0.19 0.00 -0.13 0.00 -0.39 0.00 0.00 64.86 64.15 1sm7 h ILE 85 Cb 1.10 0.04 0.00 0.00 -3.07 0.00 0.00 36.82 34.90 1sm7 h ILE 85 CO -0.12 0.00 -0.38 1.88 -0.69 0.00 0.00 178.15 178.84 1sm7 h TYR 86 N -0.07 0.72 0.00 1.37 -1.99 -1.22 0.76 116.97 116.53 1sm7 h TYR 86 Ca 0.26 -0.27 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1sm7 h TYR 86 Cb 0.55 -0.13 0.00 0.00 2.00 0.00 0.00 36.73 39.15 1sm7 h TYR 86 CO -0.84 1.01 0.22 1.96 -0.00 0.00 0.00 178.16 180.51 1sm7 h GLN 87 N 0.22 0.00 0.00 4.88 4.20 -0.84 0.68 115.11 124.25 1sm7 h GLN 87 Ca 0.00 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.64 1sm7 h GLN 87 Cb 0.98 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.75 1sm7 h GLN 87 CO 0.08 0.00 -1.28 -0.89 -0.67 0.00 0.00 178.83 176.07 1sm7 n ILE 88 N -2.28 0.28 1.21 2.54 5.41 0.12 -4.51 119.36 122.14 1sm7 n ILE 88 Ca -0.01 -0.15 0.12 0.00 1.00 0.00 0.00 62.75 63.71 1sm7 n ILE 88 Cb 0.25 -0.83 0.64 0.00 -0.71 0.00 0.00 39.64 38.99 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 -2.29 2.28 0.01 -1.39 0.00 0.26 -3.24 120.51 116.15 1sm7 n ALA 89 Ca -0.07 -0.12 -0.19 0.00 0.00 0.00 0.00 53.44 53.06 1sm7 n ALA 89 Cb 0.62 -1.41 -0.09 0.00 0.00 0.00 0.00 19.45 18.57 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 0.68 -0.81 0.00 5.09 0.12 -3.09 116.57 118.56 1sm7 h LYS 90 Ca 0.00 -0.66 -0.27 0.00 0.09 0.00 0.00 60.65 59.80 1sm7 h LYS 90 Cb 0.23 0.17 -0.16 0.00 0.10 0.00 0.00 32.23 32.56 1sm7 h LYS 90 CO 0.00 1.26 0.35 0.27 -2.09 0.00 0.00 179.45 179.24 1sm7 n ASN 91 N -3.96 4.62 0.00 7.07 0.23 -1.20 -4.47 115.26 117.55 1sm7 n ASN 91 Ca -0.10 -3.27 -0.12 0.00 -0.53 0.00 0.00 54.58 50.56 1sm7 n ASN 91 Cb 0.79 -0.76 -0.10 0.00 -2.08 0.00 0.00 39.78 37.63 1sm7 n ASN 91 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 1sm7 h LEU 92 N 2.34 -0.07 0.00 -4.53 3.38 -1.55 -3.16 115.31 111.72 1sm7 h LEU 92 Ca 0.34 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1sm7 h LEU 92 Cb 2.43 0.02 0.00 0.00 0.09 0.00 0.00 40.66 43.20 1sm7 h LEU 92 CO 0.81 0.53 0.00 -0.81 0.09 0.00 0.00 178.44 179.06 1sm7 n PRO 93 N -4.84 0.49 0.11 1.13 -0.04 -1.26 -1.43 135.00 129.15 1sm7 n PRO 93 Ca -0.08 0.05 -0.22 0.00 -0.04 0.00 0.00 63.50 63.20 1sm7 n PRO 93 Cb 0.30 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.12 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 0.80 -0.00 3.54 2.35 -1.82 -2.54 115.58 117.91 1sm7 h ASN 94 Ca 0.00 -0.79 0.00 0.00 -0.55 0.00 0.00 56.30 54.96 1sm7 h ASN 94 Cb 0.10 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.21 1sm7 h ASN 94 CO 0.00 1.60 -0.83 0.52 -1.65 0.00 0.00 177.43 177.07 1sm7 n VAL 95 N -3.73 0.00 -2.23 2.81 0.31 -1.08 -4.26 118.33 110.14 1sm7 n VAL 95 Ca -0.14 -0.08 -0.21 0.00 -0.01 0.00 0.00 64.34 63.90 1sm7 n VAL 95 Cb 1.02 1.08 0.02 0.00 -0.91 0.00 0.00 33.84 35.05 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 -0.63 0.26 0.00 0.00 3.02 -0.96 -4.66 115.26 112.28 1sm7 n ASN 97 Ca 0.37 0.19 0.00 0.00 -0.03 0.00 0.00 54.58 55.11 1sm7 n ASN 97 Cb 0.89 -0.60 0.00 0.00 -0.61 0.00 0.00 39.78 39.46 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 5.43 0.31 -3.45 3.52 0.00 -1.26 -4.98 117.12 116.70 1sm7 n MET 98 Ca 0.42 -0.60 -0.21 0.00 0.00 0.00 0.00 57.70 57.30 1sm7 n MET 98 Cb 0.01 -0.55 -0.11 0.00 0.00 0.00 0.00 33.22 32.56 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 -0.10 0.30 -0.68 3.17 2.20 -1.26 -4.50 119.74 118.86 1sm7 s LYS 99 Ca 0.00 -0.34 -0.02 0.00 -0.36 0.00 0.00 55.97 55.25 1sm7 s LYS 99 Cb 0.00 -0.84 0.27 0.00 -1.51 0.00 0.00 37.83 35.75 1sm7 s LYS 99 CO 0.00 -1.04 2.24 0.94 -0.36 0.00 0.00 175.35 177.13 1sm7 n GLN 100 N 5.21 2.59 0.00 4.03 0.00 -1.26 -4.53 117.38 123.41 1sm7 n GLN 100 Ca -0.02 -3.05 0.00 0.00 -0.00 0.00 0.00 57.00 53.93 1sm7 n GLN 100 Cb 0.45 -2.20 0.00 0.00 0.00 0.00 0.00 30.24 28.49 1sm7 n GLN 100 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.06 178.57 1sm7 n ILE 101 N -0.14 0.00 0.00 1.69 3.06 -1.26 -5.12 119.36 117.60 1sm7 n ILE 101 Ca 0.52 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.77 1sm7 n ILE 101 Cb 0.40 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.58 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 0.16 -0.34 0.09 4.50 0.00 -1.26 -5.09 105.19 103.24 1sm7 n GLY 102 Ca 0.00 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 1sm7 n GLY 102 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1sm7 h THR 103 N 0.00 0.44 -2.19 2.61 2.02 -1.92 -3.41 112.91 110.46 1sm7 h THR 103 Ca 0.00 -1.56 -0.59 0.00 0.77 0.00 0.00 66.41 65.03 1sm7 h THR 103 Cb 0.00 1.07 -0.42 0.00 -1.74 0.00 0.00 68.15 67.06 1sm7 h THR 103 CO 0.00 0.15 -0.66 0.00 0.37 0.00 0.00 175.52 175.38 1sm7 n PRO 105 N 0.66 1.74 -3.31 0.00 -0.04 -1.26 -4.85 135.00 127.93 1sm7 n PRO 105 Ca 0.29 -1.02 -0.39 0.00 -0.04 0.00 0.00 63.50 62.34 1sm7 n PRO 105 Cb 0.42 -2.10 -0.08 0.00 -0.04 0.00 0.00 33.50 31.71 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 2.27 3.30 -0.29 0.54 -0.71 -1.26 -5.02 117.98 116.81 1sm7 s PHE 106 Ca 0.44 0.60 -0.16 0.00 -1.04 0.00 0.00 56.93 56.78 1sm7 s PHE 106 Cb 0.17 -2.63 0.16 0.00 -1.21 0.00 0.00 43.02 39.51 1sm7 s PHE 106 CO -0.02 -0.18 1.02 0.96 -1.34 0.00 0.00 175.22 175.66 1sm7 s ILE 107 N 1.91 -0.11 0.00 -4.49 -4.36 -1.26 -4.81 121.20 108.09 1sm7 s ILE 107 Ca 0.20 0.00 0.00 0.00 -0.26 0.00 0.00 60.65 60.59 1sm7 s ILE 107 Cb -0.15 -1.00 0.00 0.00 1.25 0.00 0.00 42.46 42.56 1sm7 s ILE 107 CO 0.09 0.00 0.00 0.00 0.24 0.00 0.00 174.94 175.27 1sm7 n ALA 108 N 3.92 0.00 1.61 2.27 0.00 -1.26 -5.19 120.51 121.86 1sm7 n ALA 108 Ca -0.16 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.41 1sm7 n ALA 108 Cb 0.56 0.00 0.77 0.00 0.00 0.00 0.00 19.45 20.78 1sm7 n ALA 108 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94