#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 -2.38 0.00 -1.09 -0.04 -1.26 -5.04 135.00 125.19 1sm7 n PRO 2 Ca 0.00 -0.99 0.00 0.00 -0.04 0.00 0.00 63.50 62.47 1sm7 n PRO 2 Cb 0.00 -0.96 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 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 -3.50 0.00 0.13 0.54 7.27 -1.26 -4.53 117.38 116.02 1sm7 n GLN 3 Ca 0.09 0.00 -0.05 0.00 0.07 0.00 0.00 57.00 57.10 1sm7 n GLN 3 Cb 0.34 -0.65 -0.02 0.00 2.41 0.00 0.00 30.24 32.32 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 0.00 -0.32 -0.54 3.69 3.64 -1.96 -1.03 116.57 120.05 1sm7 h LYS 4 Ca 0.00 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1sm7 h LYS 4 Cb 0.39 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.26 1sm7 h LYS 4 CO 0.00 -0.22 0.20 0.00 -2.27 0.00 0.00 179.45 177.17 1sm7 h GLN 6 N 0.77 0.00 -0.16 0.00 4.20 -1.79 0.46 115.11 118.59 1sm7 h GLN 6 Ca 0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.89 1sm7 h GLN 6 Cb 0.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.95 1sm7 h GLN 6 CO -0.02 0.00 0.00 -2.13 -0.67 0.00 0.00 178.83 176.01 1sm7 n ARG 7 N -2.46 1.53 -0.01 1.46 0.00 0.05 -4.33 116.66 112.90 1sm7 n ARG 7 Ca -0.02 -1.54 0.00 0.00 -0.00 0.00 0.00 57.85 56.30 1sm7 n ARG 7 Cb 0.05 -1.24 -0.02 0.00 0.00 0.00 0.00 32.46 31.25 1sm7 n ARG 7 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1sm7 n GLU 8 N 0.58 1.57 -0.03 -0.14 1.02 0.28 -3.96 120.64 119.96 1sm7 n GLU 8 Ca 0.09 -0.02 -0.16 0.00 -0.02 0.00 0.00 57.16 57.05 1sm7 n GLU 8 Cb 0.34 -1.08 -0.13 0.00 -0.02 0.00 0.00 31.44 30.55 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 0.19 0.00 -0.32 3.04 -0.47 -3.30 116.94 116.08 1sm7 h PHE 9 Ca -0.04 -0.13 0.00 0.00 3.98 0.00 0.00 57.97 61.78 1sm7 h PHE 9 Cb 0.59 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 39.09 1sm7 h PHE 9 CO 0.00 1.07 -0.90 0.94 -2.02 0.00 0.00 178.31 177.39 1sm7 n GLN 10 N -4.46 0.34 -0.33 1.11 7.27 -1.26 -1.72 117.38 118.33 1sm7 n GLN 10 Ca -0.11 0.04 0.07 0.00 0.07 0.00 0.00 57.00 57.07 1sm7 n GLN 10 Cb 0.58 -1.66 0.17 0.00 2.41 0.00 0.00 30.24 31.74 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 0.01 0.00 3.69 -0.00 -1.69 -3.40 115.11 113.72 1sm7 h GLN 11 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1sm7 h GLN 11 Cb 0.78 -0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.26 1sm7 h GLN 11 CO 0.00 0.01 0.00 -0.85 0.00 0.00 0.00 178.83 177.99 1sm7 n GLU 12 N -5.55 0.00 -2.75 1.69 0.28 -1.26 -5.04 120.64 108.01 1sm7 n GLU 12 Ca 0.17 0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 57.08 1sm7 n GLU 12 Cb 0.54 0.00 0.09 0.00 1.43 0.00 0.00 31.44 33.50 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 0.00 1.09 0.00 3.44 6.02 -1.18 -5.12 117.38 121.63 1sm7 n GLN 13 Ca 0.00 -2.07 0.00 0.00 -0.01 0.00 0.00 57.00 54.92 1sm7 n GLN 13 Cb 0.00 -0.75 0.00 0.00 1.02 0.00 0.00 30.24 30.51 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 -0.00 -0.05 -4.45 1.08 8.25 -0.70 -4.67 115.22 114.68 1sm7 n HIS 14 Ca 0.04 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.24 1sm7 n HIS 14 Cb 0.76 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.77 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 2.94 0.00 2.41 1.43 -1.26 -5.05 118.68 119.14 1sm7 s LEU 15 Ca 0.00 -1.22 0.00 0.00 -1.03 0.00 0.00 54.13 51.88 1sm7 s LEU 15 Cb 0.00 -1.11 0.00 0.00 0.03 0.00 0.00 46.19 45.11 1sm7 s LEU 15 CO 0.00 -0.41 0.00 0.54 0.23 0.00 0.00 176.35 176.71 1sm7 n ARG 16 N -1.01 0.00 0.20 1.70 1.74 -1.26 -4.69 116.66 113.34 1sm7 n ARG 16 Ca -0.04 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.08 1sm7 n ARG 16 Cb 0.65 0.00 0.20 0.00 -1.02 0.00 0.00 32.46 32.29 1sm7 n ARG 16 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1sm7 h ALA 17 N 0.36 1.46 0.00 7.54 0.00 -1.94 0.44 119.26 127.11 1sm7 h ALA 17 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.62 1sm7 h ALA 17 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1sm7 h ALA 17 CO 0.00 -0.46 -1.65 0.00 0.00 0.00 0.00 179.25 177.14 1sm7 n GLN 19 N -4.38 1.90 0.00 0.00 -0.00 0.62 -3.92 117.38 111.59 1sm7 n GLN 19 Ca -0.38 -1.29 0.00 0.00 -0.00 0.00 0.00 57.00 55.33 1sm7 n GLN 19 Cb 0.73 -1.60 0.00 0.00 -0.00 0.00 0.00 30.24 29.36 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 -0.04 0.28 0.11 2.61 1.13 0.12 -4.59 117.38 116.99 1sm7 n GLN 20 Ca 0.21 0.00 0.02 0.00 -1.94 0.00 0.00 57.00 55.28 1sm7 n GLN 20 Cb 0.88 -0.72 0.36 0.00 0.11 0.00 0.00 30.24 30.87 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 0.28 0.00 1.08 5.08 -1.67 -0.35 115.95 120.36 1sm7 h TRP 21 Ca 0.00 -0.04 0.00 0.00 1.08 0.00 0.00 58.89 59.93 1sm7 h TRP 21 Cb 0.45 -0.08 0.00 0.00 -3.00 0.00 0.00 29.16 26.53 1sm7 h TRP 21 CO 0.00 0.41 0.00 0.82 -1.28 0.00 0.00 178.44 178.39 1sm7 h ILE 22 N 0.25 0.00 -0.00 0.12 2.04 -1.84 -1.31 117.51 116.76 1sm7 h ILE 22 Ca 0.05 -0.47 0.00 0.00 1.00 0.00 0.00 64.86 65.44 1sm7 h ILE 22 Cb 0.42 1.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 1sm7 h ILE 22 CO 0.03 0.00 -0.02 0.54 0.00 0.00 0.00 178.15 178.70 1sm7 n ARG 23 N -2.78 0.13 0.00 2.37 5.12 -0.15 -3.19 116.66 118.15 1sm7 n ARG 23 Ca 0.02 -0.01 0.06 0.00 -1.93 0.00 0.00 57.85 55.99 1sm7 n ARG 23 Cb 0.31 -1.50 0.34 0.00 -1.16 0.00 0.00 32.46 30.45 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 -1.43 1.00 0.00 5.56 1.13 -0.50 -2.93 117.38 120.21 1sm7 n GLN 24 Ca 0.09 0.00 0.10 0.00 -1.94 0.00 0.00 57.00 55.25 1sm7 n GLN 24 Cb 0.31 -1.18 0.00 0.00 0.11 0.00 0.00 30.24 29.49 1sm7 n GLN 24 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1sm7 n GLN 25 N -0.68 1.47 -1.94 -1.09 1.13 -1.19 -4.23 117.38 110.85 1sm7 n GLN 25 Ca 0.09 -0.96 -0.29 0.00 -1.94 0.00 0.00 57.00 53.89 1sm7 n GLN 25 Cb 0.04 -1.38 0.11 0.00 0.11 0.00 0.00 30.24 29.12 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 -2.23 2.59 -0.09 1.08 2.01 -1.15 -4.93 118.68 115.96 1sm7 s LEU 26 Ca 0.17 0.61 -0.04 0.00 0.01 0.00 0.00 54.13 54.87 1sm7 s LEU 26 Cb 0.16 -2.99 -0.11 0.00 0.01 0.00 0.00 46.19 43.25 1sm7 s LEU 26 CO 0.48 -2.10 2.96 0.00 1.01 0.00 0.00 176.35 178.70 1sm7 n ALA 27 N -3.40 5.68 -2.96 4.21 0.00 -1.26 -4.41 120.51 118.38 1sm7 n ALA 27 Ca 0.10 -1.52 -0.14 0.00 0.00 0.00 0.00 53.44 51.87 1sm7 n ALA 27 Cb 0.61 -1.88 -0.01 0.00 0.00 0.00 0.00 19.45 18.16 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 1.84 1.01 0.00 0.00 0.00 -1.26 -4.94 105.19 101.84 1sm7 n GLY 28 Ca 0.32 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1sm7 n GLY 28 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sm7 n SER 29 N 1.94 0.00 -4.80 1.61 7.64 -1.26 -4.97 113.62 113.78 1sm7 n SER 29 Ca 0.17 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.74 1sm7 n SER 29 Cb 0.57 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.84 1sm7 n SER 29 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1sm7 s PRO 30 N 0.00 2.58 0.00 1.43 0.04 -1.26 -4.98 135.00 132.80 1sm7 s PRO 30 Ca 0.00 0.99 0.00 0.00 0.04 0.00 0.00 61.00 62.03 1sm7 s PRO 30 Cb 0.00 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.59 1sm7 s PRO 30 CO 0.00 -1.36 0.00 1.19 0.04 0.00 0.00 177.00 176.87 1sm7 n PHE 31 N -3.31 0.00 0.06 0.56 3.72 -1.26 -5.06 117.46 112.17 1sm7 n PHE 31 Ca 0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.48 1sm7 n PHE 31 Cb 0.54 0.29 0.00 0.00 -0.94 0.00 0.00 39.48 39.37 1sm7 n PHE 31 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1sm7 n SER 32 N -2.26 -0.58 -4.49 4.37 7.64 -1.26 -5.06 113.62 111.97 1sm7 n SER 32 Ca 0.00 0.22 -0.45 0.00 1.01 0.00 0.00 58.87 59.65 1sm7 n SER 32 Cb 0.07 0.71 -0.07 0.00 -1.01 0.00 0.00 64.21 63.91 1sm7 n SER 32 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1sm7 n GLU 33 N -2.83 1.00 -1.80 1.43 0.00 -1.26 -4.84 120.64 112.33 1sm7 n GLU 33 Ca 0.00 0.20 -0.42 0.00 0.00 0.00 0.00 57.16 56.94 1sm7 n GLU 33 Cb 0.00 -2.63 -0.03 0.00 0.00 0.00 0.00 31.44 28.78 1sm7 n GLU 33 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 1sm7 s ASN 34 N 8.82 6.40 0.00 -1.84 -0.87 -1.26 -4.89 114.94 121.30 1sm7 s ASN 34 Ca 1.10 2.37 0.00 0.00 -1.57 0.00 0.00 52.86 54.76 1sm7 s ASN 34 Cb -0.70 -2.53 0.00 0.00 -0.02 0.00 0.00 41.25 38.00 1sm7 s ASN 34 CO 0.42 -1.14 0.00 1.67 -2.57 0.00 0.00 177.10 175.49 1sm7 n GLN 35 N 7.57 0.00 0.00 -0.60 -0.06 -1.26 -5.09 117.38 117.94 1sm7 n GLN 35 Ca 0.20 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.20 1sm7 n GLN 35 Cb 0.42 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.60 1sm7 n GLN 35 CO 0.00 0.00 0.00 0.91 -0.20 0.00 0.00 177.06 177.77 1sm7 n TRP 36 N -0.06 0.00 -2.66 3.69 8.01 -1.26 -4.74 117.44 120.42 1sm7 n TRP 36 Ca 0.00 0.00 -0.03 0.00 -1.31 0.00 0.00 57.50 56.16 1sm7 n TRP 36 Cb 0.00 -0.30 0.11 0.00 -2.01 0.00 0.00 31.31 29.11 1sm7 n TRP 36 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1sm7 n GLY 37 N -0.94 -1.47 0.11 6.99 0.00 -1.26 -4.53 105.19 104.08 1sm7 n GLY 37 Ca 0.00 0.86 -0.15 0.00 0.00 0.00 0.00 46.02 46.72 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 2.27 0.22 -0.01 1.61 0.13 -1.85 0.80 132.00 135.16 1sm7 h PRO 38 Ca -0.31 -0.22 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1sm7 h PRO 38 Cb 1.22 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1sm7 h PRO 38 CO -0.02 0.93 0.00 1.04 -0.23 0.00 0.00 178.00 179.72 1sm7 n GLN 39 N -4.46 1.11 0.00 0.86 6.02 -1.26 -1.13 117.38 118.51 1sm7 n GLN 39 Ca -0.10 -0.16 0.02 0.00 -0.01 0.00 0.00 57.00 56.76 1sm7 n GLN 39 Cb 0.52 -1.40 -0.00 0.00 1.02 0.00 0.00 30.24 30.38 1sm7 n GLN 39 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 1sm7 n GLN 40 N -0.72 2.48 0.00 -1.09 7.27 -1.20 -4.88 117.38 119.24 1sm7 n GLN 40 Ca 0.19 -0.40 0.00 0.00 0.07 0.00 0.00 57.00 56.86 1sm7 n GLN 40 Cb 0.12 -0.89 0.00 0.00 2.41 0.00 0.00 30.24 31.88 1sm7 n GLN 40 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1sm7 n GLY 41 N 0.63 -1.87 0.18 1.69 0.00 0.27 -5.02 105.19 101.08 1sm7 n GLY 41 Ca 0.02 0.86 0.13 0.00 0.00 0.00 0.00 46.02 47.03 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 0.00 0.00 -2.50 1.61 0.13 -1.20 -3.34 132.00 126.71 1sm7 h PRO 42 Ca 0.00 0.00 -0.79 0.00 -0.87 0.00 0.00 66.00 64.34 1sm7 h PRO 42 Cb 0.00 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 30.85 1sm7 h PRO 42 CO 0.00 0.00 0.83 0.43 -0.23 0.00 0.00 178.00 179.03 1sm7 n SER 43 N -2.66 6.80 0.00 1.44 7.64 -1.26 -4.36 113.62 121.21 1sm7 n SER 43 Ca 0.03 -3.58 0.00 0.00 1.01 0.00 0.00 58.87 56.33 1sm7 n SER 43 Cb 0.38 -1.17 0.00 0.00 -1.01 0.00 0.00 64.21 62.42 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 0.47 1.65 0.22 -3.43 4.77 -1.25 -4.56 117.00 114.86 1sm7 n LEU 44 Ca 0.38 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 56.27 1sm7 n LEU 44 Cb 0.30 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.34 1sm7 n LEU 44 CO 0.59 0.26 0.34 0.03 -1.33 0.00 0.00 177.39 177.27 1sm7 h ARG 45 N 0.00 -0.56 0.00 3.23 2.47 -1.83 0.55 114.38 118.24 1sm7 h ARG 45 Ca 0.00 0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.76 1sm7 h ARG 45 Cb 0.59 0.13 0.00 0.00 -1.65 0.00 0.00 29.97 29.04 1sm7 h ARG 45 CO 0.00 -0.37 0.11 0.93 0.56 0.00 0.00 179.97 181.19 1sm7 h GLU 46 N -0.82 0.00 0.00 0.04 5.08 -1.90 0.60 114.58 117.58 1sm7 h GLU 46 Ca -0.06 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 1sm7 h GLU 46 Cb 0.45 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1sm7 h GLU 46 CO 0.10 0.00 -0.41 1.96 -1.00 0.00 0.00 179.01 179.66 1sm7 h GLN 47 N 0.00 0.00 -0.19 2.33 4.20 -1.77 -3.30 115.11 116.38 1sm7 h GLN 47 Ca 0.00 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.65 1sm7 h GLN 47 Cb 0.22 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.99 1sm7 h GLN 47 CO 0.00 0.58 -0.11 0.00 -0.67 0.00 0.00 178.83 178.63 1sm7 n ASN 50 N -3.05 1.96 0.28 0.00 3.02 -0.96 -4.12 115.26 112.39 1sm7 n ASN 50 Ca 0.03 0.34 0.18 0.00 -0.03 0.00 0.00 54.58 55.09 1sm7 n ASN 50 Cb 0.64 -0.82 0.89 0.00 -0.61 0.00 0.00 39.78 39.88 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 -1.00 0.00 0.00 3.52 4.11 0.12 0.60 114.58 121.92 1sm7 h GLU 51 Ca -0.65 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 58.66 1sm7 h GLU 51 Cb 1.56 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.79 1sm7 h GLU 51 CO -0.39 0.00 -1.39 1.47 0.07 0.00 0.00 179.01 178.77 1sm7 n LEU 52 N -3.22 0.78 -0.07 3.06 -0.00 0.20 -4.28 117.00 113.48 1sm7 n LEU 52 Ca -0.00 0.33 -0.16 0.00 -0.00 0.00 0.00 56.01 56.18 1sm7 n LEU 52 Cb 0.34 0.05 -0.14 0.00 -0.00 0.00 0.00 43.42 43.68 1sm7 n LEU 52 CO 0.19 0.07 -1.02 0.00 -0.00 0.00 0.00 177.39 176.63 1sm7 n TYR 53 N -2.80 0.54 0.13 1.47 4.19 0.98 -3.94 117.16 117.74 1sm7 n TYR 53 Ca -0.08 0.14 0.18 0.00 3.31 0.00 0.00 57.90 61.45 1sm7 n TYR 53 Cb 0.77 -1.08 0.76 0.00 0.49 0.00 0.00 39.34 40.27 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 0.02 0.00 -0.00 2.98 3.07 -0.22 0.15 115.11 121.11 1sm7 h GLN 54 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.26 1sm7 h GLN 54 Cb 2.03 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.59 1sm7 h GLN 54 CO 0.01 0.00 0.00 0.39 0.09 0.00 0.00 178.83 179.32 1sm7 n GLU 55 N -4.04 0.97 -0.02 0.06 1.02 -1.25 -5.01 120.64 112.38 1sm7 n GLU 55 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 1sm7 n GLU 55 Cb 0.43 -1.00 -0.00 0.00 -0.02 0.00 0.00 31.44 30.85 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 -0.50 -1.23 0.14 1.62 -0.08 0.52 -3.55 116.55 113.47 1sm7 n ASP 56 Ca 0.00 0.02 0.10 0.00 -1.51 0.00 0.00 54.79 53.40 1sm7 n ASP 56 Cb 0.00 -0.05 0.05 0.00 2.34 0.00 0.00 41.12 43.47 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 -1.84 -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 0.01 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.54 1sm7 h GLN 57 CO 0.00 0.06 0.00 0.28 -1.50 0.00 0.00 178.83 177.67 1sm7 n VAL 58 N -2.88 0.07 0.24 -0.54 0.31 -1.26 -2.26 118.33 112.01 1sm7 n VAL 58 Ca 0.01 0.02 0.03 0.00 -0.01 0.00 0.00 64.34 64.38 1sm7 n VAL 58 Cb 0.58 -0.55 -0.01 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 -0.51 0.73 0.00 0.00 0.31 -0.96 -2.36 118.33 115.55 1sm7 n VAL 60 Ca 0.02 0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 1sm7 n VAL 60 Cb 0.11 -0.94 0.00 0.00 -0.91 0.00 0.00 33.84 32.10 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 -0.76 0.39 -0.30 0.00 -0.04 -1.26 -4.68 135.00 128.35 1sm7 n PRO 62 Ca 0.00 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.56 1sm7 n PRO 62 Cb 0.00 -1.30 0.26 0.00 -0.04 0.00 0.00 33.50 32.42 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 0.61 -0.56 0.52 2.02 -1.80 0.13 112.91 113.83 1sm7 h THR 63 Ca 0.00 -0.18 0.01 0.00 0.77 0.00 0.00 66.41 67.02 1sm7 h THR 63 Cb 0.00 0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 66.43 1sm7 h THR 63 CO 0.00 0.09 0.37 0.25 0.37 0.00 0.00 175.52 176.60 1sm7 h LEU 64 N 0.51 0.62 -1.74 2.58 6.46 -1.62 0.17 115.31 122.28 1sm7 h LEU 64 Ca 0.51 -0.01 0.18 0.00 -0.12 0.00 0.00 57.88 58.43 1sm7 h LEU 64 Cb 0.84 -0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 40.60 1sm7 h LEU 64 CO -0.44 0.44 0.68 0.50 -0.62 0.00 0.00 178.44 179.00 1sm7 h LYS 65 N 0.73 0.00 0.21 1.25 3.64 -1.02 0.19 116.57 121.56 1sm7 h LYS 65 Ca 0.21 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.58 1sm7 h LYS 65 Cb -0.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 1sm7 h LYS 65 CO -0.05 0.00 -0.10 0.37 -2.27 0.00 0.00 179.45 177.40 1sm7 h GLN 66 N 0.00 -0.27 0.00 1.90 4.15 -0.68 0.44 115.11 120.65 1sm7 h GLN 66 Ca 0.30 0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.73 1sm7 h GLN 66 Cb 1.65 0.06 -0.00 0.00 0.21 0.00 0.00 27.48 29.40 1sm7 h GLN 66 CO -0.00 0.11 -0.03 0.00 -1.93 0.00 0.00 178.83 176.97 1sm7 h ALA 67 N -0.40 1.35 0.00 3.38 0.00 -1.27 -1.46 119.26 120.87 1sm7 h ALA 67 Ca -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1sm7 h ALA 67 Cb 0.51 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1sm7 h ALA 67 CO 0.05 0.04 -1.17 0.00 0.00 0.00 0.00 179.25 178.17 1sm7 n ALA 68 N -2.26 3.37 -0.01 0.00 0.00 0.55 -3.57 120.51 118.58 1sm7 n ALA 68 Ca -0.03 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 52.99 1sm7 n ALA 68 Cb 0.13 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.64 1sm7 n ALA 68 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1sm7 n LYS 69 N -2.02 0.00 -0.67 0.00 4.76 0.16 -2.95 118.16 117.44 1sm7 n LYS 69 Ca 0.01 0.49 -0.12 0.00 -2.87 0.00 0.00 58.31 55.83 1sm7 n LYS 69 Cb 0.46 -1.33 0.05 0.00 -1.84 0.00 0.00 35.03 32.36 1sm7 n LYS 69 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1sm7 n SER 70 N -1.98 4.92 0.28 4.39 2.88 -1.19 -4.43 113.62 118.49 1sm7 n SER 70 Ca 0.00 -2.81 0.18 0.00 -1.33 0.00 0.00 58.87 54.91 1sm7 n SER 70 Cb 0.00 -0.87 0.97 0.00 -0.75 0.00 0.00 64.21 63.56 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 0.72 0.30 0.00 2.46 3.04 -1.58 -3.38 116.25 117.82 1sm7 h VAL 71 Ca 0.25 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.94 1sm7 h VAL 71 Cb 1.30 0.91 0.00 0.00 -2.01 0.00 0.00 31.29 31.49 1sm7 h VAL 71 CO 0.55 0.00 0.00 0.54 -1.01 0.00 0.00 177.57 177.65 1sm7 n ARG 72 N -3.51 0.00 -3.28 4.17 1.74 -1.26 -4.92 116.66 109.59 1sm7 n ARG 72 Ca -0.01 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.00 1sm7 n ARG 72 Cb 0.19 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.57 1sm7 n ARG 72 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1sm7 s VAL 73 N -0.15 -0.70 -1.19 1.55 1.01 -1.26 -5.08 120.40 114.57 1sm7 s VAL 73 Ca 0.00 -0.19 -0.22 0.00 0.00 0.00 0.00 61.98 61.57 1sm7 s VAL 73 Cb 0.00 -0.95 -0.06 0.00 0.00 0.00 0.00 36.38 35.36 1sm7 s VAL 73 CO 0.00 -0.19 1.90 1.67 0.00 0.00 0.00 175.10 178.48 1sm7 n GLN 74 N 5.37 1.90 0.06 2.72 7.27 -1.26 -4.38 117.38 129.05 1sm7 n GLN 74 Ca 0.00 -2.60 0.00 0.00 0.07 0.00 0.00 57.00 54.48 1sm7 n GLN 74 Cb 0.50 -3.65 0.00 0.00 2.41 0.00 0.00 30.24 29.50 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 5.64 -0.08 0.00 1.69 0.00 -1.26 -5.03 105.19 106.15 1sm7 n GLY 75 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.48 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 -3.26 0.00 0.00 1.61 7.27 -1.26 -5.12 117.38 116.62 1sm7 n GLN 76 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1sm7 n GLN 76 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 1sm7 n GLN 76 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 1sm7 n HIS 77 N 0.00 0.00 0.00 3.69 8.25 -1.26 -4.94 115.22 120.96 1sm7 n HIS 77 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1sm7 n HIS 77 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1sm7 n HIS 77 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1sm7 n GLY 78 N 0.00 2.59 0.00 -1.41 0.00 -1.26 -5.02 105.19 100.09 1sm7 n GLY 78 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1sm7 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sm7 n PRO 79 N 0.00 0.90 0.00 1.61 -0.04 -1.26 -2.54 135.00 133.67 1sm7 n PRO 79 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1sm7 n PRO 79 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1sm7 n PRO 79 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1sm7 n PHE 80 N -0.44 0.00 -0.34 0.54 3.72 -1.26 -0.33 117.46 119.35 1sm7 n PHE 80 Ca 0.00 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.35 1sm7 n PHE 80 Cb 0.00 -0.02 -0.05 0.00 -0.94 0.00 0.00 39.48 38.47 1sm7 n PHE 80 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1sm7 n GLN 81 N -0.55 0.74 0.00 -1.08 6.02 -1.26 -0.43 117.38 120.82 1sm7 n GLN 81 Ca 0.00 -0.46 0.00 0.00 -0.01 0.00 0.00 57.00 56.53 1sm7 n GLN 81 Cb 0.00 -1.77 0.00 0.00 1.02 0.00 0.00 30.24 29.49 1sm7 n GLN 81 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1sm7 n SER 82 N 3.17 0.00 -0.02 1.08 7.64 0.56 -4.03 113.62 122.01 1sm7 n SER 82 Ca 0.16 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.97 1sm7 n SER 82 Cb 0.25 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.32 1sm7 n SER 82 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1sm7 n THR 83 N 0.00 1.45 -0.04 0.44 5.66 -0.24 -3.46 114.28 118.09 1sm7 n THR 83 Ca 0.00 -0.78 -0.20 0.00 -3.05 0.00 0.00 64.05 60.02 1sm7 n THR 83 Cb 0.00 -0.87 -0.13 0.00 -1.55 0.00 0.00 70.33 67.78 1sm7 n THR 83 CO 0.00 0.00 0.00 -0.09 -3.05 0.00 0.00 175.07 171.93 1sm7 h ARG 84 N 0.00 0.12 -0.20 1.09 9.65 -0.95 -2.61 114.38 121.48 1sm7 h ARG 84 Ca -0.29 -0.20 -0.01 0.00 -1.10 0.00 0.00 59.98 58.37 1sm7 h ARG 84 Cb 1.93 0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 30.58 1sm7 h ARG 84 CO 0.06 1.10 0.07 0.82 2.80 0.00 0.00 179.97 184.82 1sm7 h ILE 85 N -0.65 1.09 0.00 1.20 1.08 -1.69 0.43 117.51 118.97 1sm7 h ILE 85 Ca -0.27 -0.28 -0.09 0.00 -0.39 0.00 0.00 64.86 63.83 1sm7 h ILE 85 Cb 1.48 0.86 -0.01 0.00 -3.07 0.00 0.00 36.82 36.07 1sm7 h ILE 85 CO -0.04 0.11 -0.44 1.88 -0.69 0.00 0.00 178.15 178.97 1sm7 h TYR 86 N 0.28 0.00 0.00 1.37 -1.99 -1.67 0.14 116.97 115.10 1sm7 h TYR 86 Ca 0.07 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.80 1sm7 h TYR 86 Cb 0.07 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.80 1sm7 h TYR 86 CO 0.00 0.44 -0.64 1.96 -0.00 0.00 0.00 178.16 179.92 1sm7 h GLN 87 N 0.00 0.00 0.00 4.88 4.20 -0.20 -3.05 115.11 120.94 1sm7 h GLN 87 Ca -0.00 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.54 1sm7 h GLN 87 Cb 1.32 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.06 1sm7 h GLN 87 CO 0.06 0.00 -1.80 -0.89 -0.67 0.00 0.00 178.83 175.52 1sm7 n ILE 88 N -2.55 0.64 1.40 2.54 5.41 0.12 -4.20 119.36 122.73 1sm7 n ILE 88 Ca 0.02 -0.48 0.04 0.00 1.00 0.00 0.00 62.75 63.33 1sm7 n ILE 88 Cb 0.50 -0.44 0.11 0.00 -0.71 0.00 0.00 39.64 39.10 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 -2.34 2.48 0.01 -1.39 0.00 0.48 -3.26 120.51 116.49 1sm7 n ALA 89 Ca -0.16 -0.34 0.03 0.00 0.00 0.00 0.00 53.44 52.98 1sm7 n ALA 89 Cb 0.77 -1.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.11 1sm7 n ALA 89 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1sm7 n LYS 90 N 0.04 0.64 -0.08 0.00 -0.00 -1.15 -3.87 118.16 113.74 1sm7 n LYS 90 Ca 0.07 0.06 0.05 0.00 -0.00 0.00 0.00 58.31 58.49 1sm7 n LYS 90 Cb 0.16 -1.69 0.21 0.00 -0.00 0.00 0.00 35.03 33.71 1sm7 n LYS 90 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1sm7 n ASN 91 N -2.67 0.93 0.09 -5.58 0.23 -1.20 -4.17 115.26 102.89 1sm7 n ASN 91 Ca -0.11 -1.86 -0.07 0.00 -0.53 0.00 0.00 54.58 52.02 1sm7 n ASN 91 Cb 0.78 -0.10 -0.04 0.00 -2.08 0.00 0.00 39.78 38.33 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 1.08 -0.26 0.00 -4.53 3.38 -1.73 -3.08 115.31 110.17 1sm7 h LEU 92 Ca 0.00 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1sm7 h LEU 92 Cb 0.24 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1sm7 h LEU 92 CO 0.00 0.24 0.00 -0.81 0.09 0.00 0.00 178.44 177.96 1sm7 n PRO 93 N -4.98 0.51 0.09 1.13 -0.04 -1.26 -0.17 135.00 130.28 1sm7 n PRO 93 Ca -0.06 0.03 -0.21 0.00 -0.04 0.00 0.00 63.50 63.22 1sm7 n PRO 93 Cb 0.19 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.00 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 0.59 -0.00 3.54 2.35 -1.72 -2.90 115.58 117.43 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 0.04 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.21 1sm7 h ASN 94 CO 0.00 1.66 -0.55 0.52 -1.65 0.00 0.00 177.43 177.40 1sm7 n VAL 95 N -3.57 0.00 -2.48 2.81 0.31 -1.04 -4.45 118.33 109.91 1sm7 n VAL 95 Ca -0.20 -0.22 -0.13 0.00 -0.01 0.00 0.00 64.34 63.78 1sm7 n VAL 95 Cb 1.07 1.02 0.03 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 -0.57 -0.04 -0.13 0.00 3.02 -1.09 -4.49 115.26 111.96 1sm7 n ASN 97 Ca 0.24 0.02 0.04 0.00 -0.03 0.00 0.00 54.58 54.85 1sm7 n ASN 97 Cb 0.85 -0.45 0.06 0.00 -0.61 0.00 0.00 39.78 39.63 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 4.25 1.33 -3.32 3.52 0.00 -1.26 -4.89 117.12 116.75 1sm7 n MET 98 Ca 0.36 -1.72 -0.11 0.00 0.00 0.00 0.00 57.70 56.22 1sm7 n MET 98 Cb 0.03 -1.04 -0.06 0.00 0.00 0.00 0.00 33.22 32.14 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 -1.45 0.53 -0.42 3.17 2.36 -1.26 -4.71 119.74 117.95 1sm7 s LYS 99 Ca 0.13 -0.28 -0.03 0.00 -2.55 0.00 0.00 55.97 53.24 1sm7 s LYS 99 Cb 0.11 -0.44 0.14 0.00 -1.05 0.00 0.00 37.83 36.60 1sm7 s LYS 99 CO 0.01 -1.11 2.45 0.94 1.55 0.00 0.00 175.35 179.20 1sm7 n GLN 100 N 4.87 2.21 0.08 4.03 0.00 -1.26 -4.32 117.38 122.98 1sm7 n GLN 100 Ca 0.05 -2.14 0.00 0.00 -0.00 0.00 0.00 57.00 54.91 1sm7 n GLN 100 Cb 0.48 -1.97 0.00 0.00 0.00 0.00 0.00 30.24 28.76 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 0.57 0.00 0.00 1.69 0.13 -1.26 -5.12 119.36 115.37 1sm7 n ILE 101 Ca 0.43 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 62.08 1sm7 n ILE 101 Cb 0.56 -0.08 0.00 0.00 -0.84 0.00 0.00 39.64 39.28 1sm7 n ILE 101 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1sm7 n GLY 102 N -0.20 0.76 0.13 4.50 0.00 -1.26 -5.07 105.19 104.05 1sm7 n GLY 102 Ca 0.00 -0.58 -0.22 0.00 0.00 0.00 0.00 46.02 45.22 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 1.66 -3.25 2.61 -1.04 -1.26 -4.44 114.28 108.56 1sm7 n THR 103 Ca 0.00 -0.43 -0.26 0.00 -2.04 0.00 0.00 64.05 61.33 1sm7 n THR 103 Cb 0.00 -1.81 -0.07 0.00 -1.82 0.00 0.00 70.33 66.63 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 0.68 1.64 -0.04 0.00 -0.04 -1.26 -4.24 135.00 131.73 1sm7 n PRO 105 Ca 0.28 -0.91 0.13 0.00 -0.04 0.00 0.00 63.50 62.96 1sm7 n PRO 105 Cb 0.45 -2.00 0.45 0.00 -0.04 0.00 0.00 33.50 32.36 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 2.97 0.09 -0.32 0.54 1.16 -1.26 -4.38 117.46 116.26 1sm7 n PHE 106 Ca 0.35 -0.05 0.21 0.00 -1.87 0.00 0.00 57.45 56.09 1sm7 n PHE 106 Cb 0.52 0.00 0.47 0.00 -1.61 0.00 0.00 39.48 38.87 1sm7 n PHE 106 CO 0.00 0.00 0.00 -0.84 -1.87 0.00 0.00 176.76 174.05 1sm7 h ILE 107 N 2.38 0.56 0.00 1.97 3.07 -1.91 -3.07 117.51 120.51 1sm7 h ILE 107 Ca 0.00 -0.16 -0.53 0.00 1.55 0.00 0.00 64.86 65.73 1sm7 h ILE 107 Cb 0.51 0.06 0.03 0.00 -0.27 0.00 0.00 36.82 37.16 1sm7 h ILE 107 CO 0.00 0.08 2.42 0.00 -1.05 0.00 0.00 178.15 179.60 1sm7 n ALA 108 N -2.44 3.88 0.53 0.16 0.00 -1.26 -4.99 120.51 116.39 1sm7 n ALA 108 Ca 0.25 -2.71 0.06 0.00 0.00 0.00 0.00 53.44 51.04 1sm7 n ALA 108 Cb 0.81 -3.35 0.05 0.00 0.00 0.00 0.00 19.45 16.97 1sm7 n ALA 108 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94