#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 1.09 -0.23 -1.09 -0.04 -1.26 -4.47 135.00 128.99 1sm7 n PRO 2 Ca 0.00 0.00 0.32 0.00 -0.04 0.00 0.00 63.50 63.78 1sm7 n PRO 2 Cb 0.00 0.00 0.65 0.00 -0.04 0.00 0.00 33.50 34.11 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 -1.29 0.54 5.75 -1.99 0.32 115.11 118.44 1sm7 h GLN 3 Ca 0.00 0.00 0.37 0.00 -0.15 0.00 0.00 58.65 58.87 1sm7 h GLN 3 Cb 0.00 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 28.50 1sm7 h GLN 3 CO 0.00 0.00 0.92 -0.22 -2.65 0.00 0.00 178.83 176.88 1sm7 h LYS 4 N 0.00 0.02 -0.24 1.69 3.11 -1.96 0.26 116.57 119.44 1sm7 h LYS 4 Ca 0.50 -0.00 0.04 0.00 -2.81 0.00 0.00 60.65 58.38 1sm7 h LYS 4 Cb 2.43 -0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 33.61 1sm7 h LYS 4 CO -0.01 0.01 -0.00 0.00 -2.81 0.00 0.00 179.45 176.64 1sm7 h GLN 6 N 0.07 0.04 0.00 0.00 1.08 -0.67 0.84 115.11 116.48 1sm7 h GLN 6 Ca 0.12 -0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.25 1sm7 h GLN 6 Cb 0.15 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.56 1sm7 h GLN 6 CO -0.20 0.03 -0.37 -0.09 -0.95 0.00 0.00 178.83 177.25 1sm7 h ARG 7 N 0.04 0.00 0.00 1.46 2.43 -1.54 -3.35 114.38 113.42 1sm7 h ARG 7 Ca 0.75 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.92 1sm7 h ARG 7 Cb 2.83 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 32.38 1sm7 h ARG 7 CO -0.10 1.00 -0.01 0.93 -1.51 0.00 0.00 179.97 180.28 1sm7 h GLU 8 N -1.00 0.00 0.02 0.20 5.08 0.24 -2.19 114.58 116.92 1sm7 h GLU 8 Ca -0.10 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1sm7 h GLU 8 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1sm7 h GLU 8 CO -0.06 0.01 -0.01 0.35 -1.00 0.00 0.00 179.01 178.30 1sm7 h PHE 9 N 0.00 -0.02 -0.00 4.33 3.04 0.39 -2.68 116.94 121.99 1sm7 h PHE 9 Ca -0.00 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1sm7 h PHE 9 Cb 0.05 0.01 0.00 0.00 2.56 0.00 0.00 35.95 38.56 1sm7 h PHE 9 CO 0.00 0.30 -0.07 0.94 -2.02 0.00 0.00 178.31 177.46 1sm7 n GLN 10 N -4.95 0.19 -0.21 1.11 7.27 -1.05 -2.15 117.38 117.60 1sm7 n GLN 10 Ca -0.08 -0.03 -0.01 0.00 0.07 0.00 0.00 57.00 56.95 1sm7 n GLN 10 Cb 0.18 -1.50 0.05 0.00 2.41 0.00 0.00 30.24 31.39 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 0.07 -0.03 0.00 3.69 -0.00 -1.04 -3.42 115.11 114.38 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 0.43 0.01 0.00 0.00 0.00 0.00 0.00 27.48 27.91 1sm7 h GLN 11 CO 0.00 -0.02 0.00 -0.85 0.00 0.00 0.00 178.83 177.96 1sm7 n GLU 12 N -5.43 0.00 -2.72 1.69 0.28 -1.25 -5.03 120.64 108.18 1sm7 n GLU 12 Ca 0.07 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 57.03 1sm7 n GLU 12 Cb 0.33 0.00 0.08 0.00 1.43 0.00 0.00 31.44 33.29 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 1.39 0.00 3.44 7.27 -0.91 -5.12 117.38 123.45 1sm7 n GLN 13 Ca 0.00 -2.41 0.00 0.00 0.07 0.00 0.00 57.00 54.66 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 -0.78 -0.81 -4.11 3.69 8.25 -1.02 -4.81 115.22 115.63 1sm7 n HIS 14 Ca -0.02 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.19 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 3.14 0.00 2.41 1.43 -1.26 -5.06 118.68 119.34 1sm7 s LEU 15 Ca 0.00 -1.03 0.00 0.00 -1.03 0.00 0.00 54.13 52.07 1sm7 s LEU 15 Cb 0.00 -1.49 0.00 0.00 0.03 0.00 0.00 46.19 44.73 1sm7 s LEU 15 CO 0.00 -0.51 0.00 -2.11 0.23 0.00 0.00 176.35 173.96 1sm7 n ARG 16 N -1.23 0.00 -0.36 1.70 0.00 -1.26 -4.69 116.66 110.82 1sm7 n ARG 16 Ca -0.01 0.00 0.34 0.00 -0.00 0.00 0.00 57.85 58.18 1sm7 n ARG 16 Cb 0.64 0.00 0.61 0.00 -0.00 0.00 0.00 32.46 33.71 1sm7 n ARG 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1sm7 h ALA 17 N 0.98 2.35 0.38 2.89 0.00 -1.95 0.57 119.26 124.49 1sm7 h ALA 17 Ca 0.00 0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1sm7 h ALA 17 Cb 0.00 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1sm7 h ALA 17 CO 0.00 -1.11 -0.18 0.00 0.00 0.00 0.00 179.25 177.96 1sm7 n GLN 19 N -5.21 1.27 0.00 0.00 -0.00 0.12 -3.95 117.38 109.62 1sm7 n GLN 19 Ca -0.10 -0.33 0.00 0.00 -0.00 0.00 0.00 57.00 56.57 1sm7 n GLN 19 Cb 0.27 -1.34 0.00 0.00 -0.00 0.00 0.00 30.24 29.17 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 0.20 0.15 -0.21 2.61 6.02 0.16 -4.57 117.38 121.74 1sm7 n GLN 20 Ca 0.05 0.00 0.06 0.00 -0.01 0.00 0.00 57.00 57.10 1sm7 n GLN 20 Cb 0.50 -0.64 0.33 0.00 1.02 0.00 0.00 30.24 31.45 1sm7 n GLN 20 CO 0.00 0.00 0.00 0.11 -1.01 0.00 0.00 177.06 176.16 1sm7 h TRP 21 N 0.00 0.82 -0.15 1.08 5.08 -0.92 -0.51 115.95 121.35 1sm7 h TRP 21 Ca 0.00 0.02 -0.10 0.00 1.08 0.00 0.00 58.89 59.89 1sm7 h TRP 21 Cb 0.28 -0.27 -0.01 0.00 -3.00 0.00 0.00 29.16 26.16 1sm7 h TRP 21 CO 0.00 0.43 -0.36 0.82 -1.28 0.00 0.00 178.44 178.05 1sm7 h ILE 22 N 0.81 1.29 0.00 0.12 2.04 -1.81 -0.22 117.51 119.74 1sm7 h ILE 22 Ca 0.33 -1.42 0.00 0.00 1.00 0.00 0.00 64.86 64.77 1sm7 h ILE 22 Cb 0.26 1.58 0.00 0.00 -0.74 0.00 0.00 36.82 37.91 1sm7 h ILE 22 CO -0.11 0.43 0.00 0.54 0.00 0.00 0.00 178.15 179.01 1sm7 n ARG 23 N -4.06 0.03 0.09 2.37 3.00 -0.25 -2.30 116.66 115.54 1sm7 n ARG 23 Ca -0.01 0.39 0.09 0.00 -0.01 0.00 0.00 57.85 58.31 1sm7 n ARG 23 Cb 0.45 -1.56 0.40 0.00 0.00 0.00 0.00 32.46 31.75 1sm7 n ARG 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1sm7 n GLN 24 N -1.62 0.11 0.16 5.56 10.64 -0.09 -1.68 117.38 130.46 1sm7 n GLN 24 Ca 0.02 0.45 0.13 0.00 -1.83 0.00 0.00 57.00 55.77 1sm7 n GLN 24 Cb 0.10 -1.76 0.42 0.00 -0.86 0.00 0.00 30.24 28.14 1sm7 n GLN 24 CO 0.00 0.00 0.00 0.37 -1.83 0.00 0.00 177.06 175.60 1sm7 h GLN 25 N 0.00 0.00 -6.27 2.61 5.75 -1.63 -3.45 115.11 112.12 1sm7 h GLN 25 Ca 0.00 0.00 -0.61 0.00 -0.15 0.00 0.00 58.65 57.89 1sm7 h GLN 25 Cb 0.20 0.00 -0.15 0.00 1.07 0.00 0.00 27.48 28.60 1sm7 h GLN 25 CO 0.00 0.00 -0.77 -0.51 -2.65 0.00 0.00 178.83 174.90 1sm7 s LEU 26 N -5.11 2.55 0.65 -2.39 1.02 -0.68 -5.00 118.68 109.72 1sm7 s LEU 26 Ca 0.07 -0.99 0.37 0.00 0.02 0.00 0.00 54.13 53.60 1sm7 s LEU 26 Cb 0.10 -1.09 2.04 0.00 0.02 0.00 0.00 46.19 47.25 1sm7 s LEU 26 CO 0.55 0.05 2.19 0.00 0.02 0.00 0.00 176.35 179.16 1sm7 h ALA 27 N 2.53 1.27 -2.15 4.21 0.00 -1.88 -3.39 119.26 119.85 1sm7 h ALA 27 Ca -0.41 -0.00 -0.59 0.00 0.00 0.00 0.00 54.91 53.91 1sm7 h ALA 27 Cb 1.24 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.96 1sm7 h ALA 27 CO 0.57 -0.15 0.61 0.20 0.00 0.00 0.00 179.25 180.48 1sm7 s GLY 28 N -4.01 1.68 0.00 0.00 0.00 -1.26 -4.32 107.32 99.41 1sm7 s GLY 28 Ca -0.04 -0.13 0.00 0.00 0.00 0.00 0.00 44.72 44.54 1sm7 s GLY 28 CO 0.40 1.99 0.00 -1.26 0.00 0.00 0.00 173.10 174.23 1sm7 n SER 29 N 6.34 0.00 -4.81 1.64 2.88 -1.26 -4.51 113.62 113.89 1sm7 n SER 29 Ca 0.08 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.30 1sm7 n SER 29 Cb 0.47 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.95 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 0.00 3.24 0.00 -1.46 0.04 -1.26 -4.99 135.00 130.57 1sm7 s PRO 30 Ca 0.00 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.13 1sm7 s PRO 30 Cb 0.00 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1sm7 s PRO 30 CO 0.00 -0.86 0.67 1.19 0.04 0.00 0.00 177.00 178.04 1sm7 n PHE 31 N -2.39 0.00 -1.31 0.56 3.72 -1.26 -5.09 117.46 111.70 1sm7 n PHE 31 Ca 0.08 -0.22 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 1sm7 n PHE 31 Cb 0.53 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.05 1sm7 n PHE 31 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1sm7 n SER 32 N -0.22 0.00 -4.52 4.37 3.41 -1.26 -5.09 113.62 110.31 1sm7 n SER 32 Ca 0.00 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.38 1sm7 n SER 32 Cb 0.26 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.04 1sm7 n SER 32 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1sm7 n GLU 33 N -0.10 0.19 -3.60 4.33 1.02 -1.26 -4.78 120.64 116.44 1sm7 n GLU 33 Ca 0.00 -0.21 -0.08 0.00 -0.02 0.00 0.00 57.16 56.85 1sm7 n GLU 33 Cb 0.00 -1.86 -0.05 0.00 -0.02 0.00 0.00 31.44 29.51 1sm7 n GLU 33 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1sm7 s ASN 34 N 4.51 -0.29 0.00 1.62 3.84 -1.26 -5.18 114.94 118.19 1sm7 s ASN 34 Ca 1.21 0.32 0.00 0.00 0.21 0.00 0.00 52.86 54.60 1sm7 s ASN 34 Cb -0.69 0.25 0.00 0.00 -0.55 0.00 0.00 41.25 40.25 1sm7 s ASN 34 CO 0.42 -0.26 0.00 1.67 -2.79 0.00 0.00 177.10 176.14 1sm7 n GLN 35 N 0.72 2.45 0.00 0.43 -0.06 -1.26 -4.93 117.38 114.72 1sm7 n GLN 35 Ca -0.08 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.92 1sm7 n GLN 35 Cb 0.58 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.76 1sm7 n GLN 35 CO 0.00 0.00 0.00 -2.67 -0.20 0.00 0.00 177.06 174.19 1sm7 n TRP 36 N 0.00 0.00 -0.41 3.69 2.14 -1.26 -4.69 117.44 116.90 1sm7 n TRP 36 Ca 0.00 0.00 -0.29 0.00 2.07 0.00 0.00 57.50 59.28 1sm7 n TRP 36 Cb 0.00 0.09 0.25 0.00 -0.81 0.00 0.00 31.31 30.84 1sm7 n TRP 36 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 1sm7 n GLY 37 N 2.32 -2.84 2.42 -1.67 0.00 -1.26 -4.63 105.19 99.53 1sm7 n GLY 37 Ca 0.00 -1.29 -0.15 0.00 0.00 0.00 0.00 46.02 44.58 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 -4.62 1.67 0.00 1.61 -0.04 -1.26 -3.20 135.00 129.16 1sm7 n PRO 38 Ca 0.06 -1.06 0.00 0.00 -0.04 0.00 0.00 63.50 62.46 1sm7 n PRO 38 Cb 0.56 -2.15 0.00 0.00 -0.04 0.00 0.00 33.50 31.87 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 3.51 0.00 -0.04 0.54 7.27 -1.26 -4.52 117.38 122.87 1sm7 n GLN 39 Ca 0.36 0.00 -0.01 0.00 0.07 0.00 0.00 57.00 57.41 1sm7 n GLN 39 Cb 0.31 -0.40 -0.14 0.00 2.41 0.00 0.00 30.24 32.42 1sm7 n GLN 39 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 1sm7 n GLN 40 N -2.46 0.66 -3.19 3.69 -0.06 -1.19 -4.60 117.38 110.23 1sm7 n GLN 40 Ca 0.00 -0.01 -0.19 0.00 -2.00 0.00 0.00 57.00 54.80 1sm7 n GLN 40 Cb 0.23 -1.59 -0.04 0.00 -4.06 0.00 0.00 30.24 24.78 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 1.52 3.54 0.26 1.69 0.00 -1.24 -4.91 105.19 106.04 1sm7 n GLY 41 Ca -0.19 -1.70 0.15 0.00 0.00 0.00 0.00 46.02 44.28 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 3.15 0.00 -3.80 1.61 0.13 -1.79 -3.37 132.00 127.94 1sm7 h PRO 42 Ca 0.10 0.00 -0.71 0.00 -0.87 0.00 0.00 66.00 64.52 1sm7 h PRO 42 Cb 0.95 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.04 1sm7 h PRO 42 CO 0.50 0.08 3.16 0.43 -0.23 0.00 0.00 178.00 181.94 1sm7 n SER 43 N -3.20 4.75 0.00 1.44 7.64 -1.26 -3.98 113.62 119.01 1sm7 n SER 43 Ca 0.01 -2.82 0.00 0.00 1.01 0.00 0.00 58.87 57.06 1sm7 n SER 43 Cb 0.36 -1.63 0.00 0.00 -1.01 0.00 0.00 64.21 61.93 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 5.50 0.87 -0.12 -3.43 4.77 -1.26 -4.40 117.00 118.93 1sm7 n LEU 44 Ca 0.55 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 56.42 1sm7 n LEU 44 Cb 0.36 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.43 1sm7 n LEU 44 CO 0.89 0.05 0.69 0.03 -1.33 0.00 0.00 177.39 177.72 1sm7 h ARG 45 N 0.00 0.70 0.00 3.23 2.47 -1.91 0.30 114.38 119.18 1sm7 h ARG 45 Ca 0.00 -0.29 -0.17 0.00 -1.26 0.00 0.00 59.98 58.26 1sm7 h ARG 45 Cb 0.43 -0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.70 1sm7 h ARG 45 CO 0.00 0.88 -0.82 0.93 0.56 0.00 0.00 179.97 181.52 1sm7 h GLU 46 N 0.49 0.00 0.03 0.04 5.08 -1.88 -2.19 114.58 116.15 1sm7 h GLU 46 Ca 0.08 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1sm7 h GLU 46 Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1sm7 h GLU 46 CO 0.04 0.82 -0.02 0.37 -1.00 0.00 0.00 179.01 179.23 1sm7 h GLN 47 N 0.00 -0.04 -0.80 2.33 4.15 -1.75 -3.19 115.11 115.81 1sm7 h GLN 47 Ca -0.01 0.00 0.08 0.00 0.77 0.00 0.00 58.65 59.49 1sm7 h GLN 47 Cb 1.56 0.01 -0.05 0.00 0.21 0.00 0.00 27.48 29.20 1sm7 h GLN 47 CO 0.11 0.61 0.52 0.00 -1.93 0.00 0.00 178.83 178.14 1sm7 n ASN 50 N -1.88 2.81 0.33 0.00 3.02 0.20 -4.46 115.26 115.28 1sm7 n ASN 50 Ca -0.01 -0.00 0.22 0.00 -0.03 0.00 0.00 54.58 54.76 1sm7 n ASN 50 Cb 0.14 -0.07 1.15 0.00 -0.61 0.00 0.00 39.78 40.39 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 -0.04 0.00 -0.01 3.52 4.11 0.12 0.74 114.58 123.02 1sm7 h GLU 51 Ca -0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.35 1sm7 h GLU 51 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1sm7 h GLU 51 CO -0.02 0.00 -0.59 1.47 0.07 0.00 0.00 179.01 179.94 1sm7 n LEU 52 N -3.06 1.55 -0.97 3.06 -0.00 -0.01 -4.31 117.00 113.25 1sm7 n LEU 52 Ca -0.03 -0.58 0.09 0.00 -0.00 0.00 0.00 56.01 55.49 1sm7 n LEU 52 Cb 0.10 -0.03 0.22 0.00 -0.00 0.00 0.00 43.42 43.71 1sm7 n LEU 52 CO 0.21 0.31 0.68 0.00 -0.00 0.00 0.00 177.39 178.59 1sm7 n TYR 53 N -0.58 0.64 -0.05 1.47 4.19 0.22 -4.28 117.16 118.77 1sm7 n TYR 53 Ca 0.08 -0.43 -0.11 0.00 3.31 0.00 0.00 57.90 60.74 1sm7 n TYR 53 Cb 0.41 -0.01 -0.15 0.00 0.49 0.00 0.00 39.34 40.08 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 1.10 0.67 -0.14 2.98 10.64 -1.03 -4.13 117.38 127.46 1sm7 n GLN 54 Ca 0.17 0.18 0.02 0.00 -1.83 0.00 0.00 57.00 55.54 1sm7 n GLN 54 Cb 0.52 -1.67 0.07 0.00 -0.86 0.00 0.00 30.24 28.30 1sm7 n GLN 54 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 1sm7 n GLU 55 N -3.02 1.62 0.00 2.61 1.02 -1.26 -5.01 120.64 116.60 1sm7 n GLU 55 Ca -0.26 -0.58 0.00 0.00 -0.02 0.00 0.00 57.16 56.29 1sm7 n GLU 55 Cb 1.08 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 31.03 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 0.06 0.00 0.12 1.62 -0.08 -1.26 -3.70 116.55 113.32 1sm7 n ASP 56 Ca 0.05 0.00 0.04 0.00 -1.51 0.00 0.00 54.79 53.37 1sm7 n ASP 56 Cb 0.33 0.00 0.02 0.00 2.34 0.00 0.00 41.12 43.81 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 -1.89 -3.26 115.11 116.78 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 0.35 0.00 0.28 -1.50 0.00 0.00 178.83 177.96 1sm7 n VAL 58 N -3.10 0.20 -0.74 -0.54 0.31 -1.26 -2.21 118.33 111.00 1sm7 n VAL 58 Ca -0.00 0.05 0.07 0.00 -0.01 0.00 0.00 64.34 64.45 1sm7 n VAL 58 Cb 0.72 -0.63 0.16 0.00 -0.91 0.00 0.00 33.84 33.17 1sm7 n VAL 58 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sm7 h VAL 60 N 0.87 0.59 0.00 0.00 2.07 -1.52 -3.36 116.25 114.89 1sm7 h VAL 60 Ca 0.00 -2.11 0.00 0.00 0.82 0.00 0.00 66.70 65.41 1sm7 h VAL 60 Cb 1.02 2.12 0.00 0.00 -1.52 0.00 0.00 31.29 32.91 1sm7 h VAL 60 CO 0.07 0.33 0.00 0.00 0.02 0.00 0.00 177.57 178.00 1sm7 n PRO 62 N -0.09 0.57 -0.33 0.00 -0.04 -1.26 -4.86 135.00 128.99 1sm7 n PRO 62 Ca 0.00 0.00 0.20 0.00 -0.04 0.00 0.00 63.50 63.66 1sm7 n PRO 62 Cb 0.00 -1.08 0.40 0.00 -0.04 0.00 0.00 33.50 32.78 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 0.10 -0.91 0.52 2.02 -1.83 0.25 112.91 113.07 1sm7 h THR 63 Ca 0.00 -0.03 0.15 0.00 0.77 0.00 0.00 66.41 67.30 1sm7 h THR 63 Cb 0.00 0.02 -0.09 0.00 -1.74 0.00 0.00 68.15 66.33 1sm7 h THR 63 CO 0.00 0.01 0.51 0.25 0.37 0.00 0.00 175.52 176.67 1sm7 h LEU 64 N 0.08 0.66 -1.31 2.58 6.46 -1.71 0.10 115.31 122.17 1sm7 h LEU 64 Ca 0.68 0.08 0.32 0.00 -0.12 0.00 0.00 57.88 58.84 1sm7 h LEU 64 Cb 1.56 -0.03 -0.11 0.00 -0.73 0.00 0.00 40.66 41.35 1sm7 h LEU 64 CO -0.79 0.29 0.70 0.50 -0.62 0.00 0.00 178.44 178.52 1sm7 h LYS 65 N 0.73 0.30 1.00 1.25 3.11 -0.82 0.12 116.57 122.27 1sm7 h LYS 65 Ca 0.49 -0.02 -0.05 0.00 -2.81 0.00 0.00 60.65 58.27 1sm7 h LYS 65 Cb 0.67 -0.07 0.01 0.00 -1.00 0.00 0.00 32.23 31.84 1sm7 h LYS 65 CO -0.35 0.20 -0.49 0.37 -2.81 0.00 0.00 179.45 176.38 1sm7 h GLN 66 N 0.31 -1.31 -0.18 1.90 5.75 -0.84 -0.00 115.11 120.75 1sm7 h GLN 66 Ca 0.68 0.09 0.05 0.00 -0.15 0.00 0.00 58.65 59.31 1sm7 h GLN 66 Cb 1.80 0.30 -0.01 0.00 1.07 0.00 0.00 27.48 30.64 1sm7 h GLN 66 CO -0.38 -0.87 0.18 0.00 -2.65 0.00 0.00 178.83 175.11 1sm7 h ALA 67 N -1.36 1.84 0.00 3.38 0.00 -1.37 0.74 119.26 122.49 1sm7 h ALA 67 Ca -0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1sm7 h ALA 67 Cb 1.04 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1sm7 h ALA 67 CO 0.22 -0.27 0.00 0.00 0.00 0.00 0.00 179.25 179.20 1sm7 n ALA 68 N -2.37 2.13 -0.01 0.00 0.00 0.35 -2.69 120.51 117.92 1sm7 n ALA 68 Ca 0.01 -0.08 -0.17 0.00 0.00 0.00 0.00 53.44 53.21 1sm7 n ALA 68 Cb 0.30 -1.41 -0.13 0.00 0.00 0.00 0.00 19.45 18.22 1sm7 n ALA 68 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1sm7 h LYS 69 N 0.00 0.19 -0.02 0.00 1.63 0.11 -3.21 116.57 115.28 1sm7 h LYS 69 Ca 0.00 -0.26 0.00 0.00 -0.85 0.00 0.00 60.65 59.54 1sm7 h LYS 69 Cb 0.45 0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.17 1sm7 h LYS 69 CO 0.00 1.05 0.00 0.45 -3.45 0.00 0.00 179.45 177.50 1sm7 n SER 70 N -4.39 0.26 0.13 4.20 2.88 -1.22 -3.81 113.62 111.67 1sm7 n SER 70 Ca -0.11 -1.36 0.10 0.00 -1.33 0.00 0.00 58.87 56.17 1sm7 n SER 70 Cb 0.61 -0.01 0.48 0.00 -0.75 0.00 0.00 64.21 64.54 1sm7 n SER 70 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1sm7 n VAL 71 N -0.67 1.05 0.00 2.46 0.31 -1.09 -4.15 118.33 116.24 1sm7 n VAL 71 Ca 0.17 0.49 0.00 0.00 -0.01 0.00 0.00 64.34 64.99 1sm7 n VAL 71 Cb 0.12 -1.45 0.00 0.00 -0.91 0.00 0.00 33.84 31.60 1sm7 n VAL 71 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 1sm7 n ARG 72 N -2.13 0.00 -3.87 5.55 1.85 -1.25 -4.59 116.66 112.21 1sm7 n ARG 72 Ca 0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 57.85 56.76 1sm7 n ARG 72 Cb 0.11 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.47 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 0.00 0.04 1.01 8.89 1.01 -1.26 -5.12 120.40 124.97 1sm7 s VAL 73 Ca 0.00 -1.14 -0.22 0.00 0.00 0.00 0.00 61.98 60.61 1sm7 s VAL 73 Cb 0.00 -1.76 -0.06 0.00 0.00 0.00 0.00 36.38 34.55 1sm7 s VAL 73 CO 0.00 -0.20 -0.83 0.00 0.00 0.00 0.00 175.10 174.07 1sm7 n GLN 74 N -0.28 -0.69 -0.57 2.72 1.13 -1.26 -4.62 117.38 113.80 1sm7 n GLN 74 Ca -0.08 -0.20 -0.15 0.00 -1.94 0.00 0.00 57.00 54.63 1sm7 n GLN 74 Cb 0.63 -1.26 -0.03 0.00 0.11 0.00 0.00 30.24 29.69 1sm7 n GLN 74 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1sm7 n GLY 75 N 2.92 2.65 0.28 1.08 0.00 -1.26 -3.11 105.19 107.75 1sm7 n GLY 75 Ca -0.01 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 4.00 0.00 0.00 1.61 6.02 -1.26 -5.10 117.38 122.66 1sm7 n GLN 76 Ca 0.33 -0.31 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 1sm7 n GLN 76 Cb 0.17 -0.20 0.00 0.00 1.02 0.00 0.00 30.24 31.24 1sm7 n GLN 76 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 1sm7 n HIS 77 N 0.00 0.00 -3.09 1.08 -0.00 -1.18 -5.14 115.22 106.89 1sm7 n HIS 77 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1sm7 n HIS 77 Cb 0.54 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.41 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 5.00 -1.22 3.55 1.57 0.00 -1.26 -5.09 105.19 107.74 1sm7 n GLY 78 Ca 0.00 -0.83 -0.37 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 -0.18 2.80 0.29 1.61 0.04 -1.26 -4.17 135.00 134.13 1sm7 s PRO 79 Ca 0.00 0.12 0.00 0.00 0.04 0.00 0.00 61.00 61.16 1sm7 s PRO 79 Cb 0.00 -4.56 0.00 0.00 0.04 0.00 0.00 34.50 29.98 1sm7 s PRO 79 CO 0.00 -2.70 0.00 0.34 0.04 0.00 0.00 177.00 174.68 1sm7 n PHE 80 N 12.00 -3.73 -0.05 0.56 -0.00 -1.26 -4.97 117.46 120.01 1sm7 n PHE 80 Ca 0.22 0.99 -0.01 0.00 -0.00 0.00 0.00 57.45 58.65 1sm7 n PHE 80 Cb 0.50 2.63 -0.00 0.00 -0.00 0.00 0.00 39.48 42.61 1sm7 n PHE 80 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.76 178.72 1sm7 h GLN 81 N 0.00 0.00 -1.55 -4.13 1.08 -2.01 -3.31 115.11 105.20 1sm7 h GLN 81 Ca 0.00 0.00 0.50 0.00 -1.45 0.00 0.00 58.65 57.70 1sm7 h GLN 81 Cb 0.00 0.00 -0.11 0.00 -0.05 0.00 0.00 27.48 27.32 1sm7 h GLN 81 CO 0.00 0.03 1.05 -1.13 -0.95 0.00 0.00 178.83 177.83 1sm7 n SER 82 N -4.76 0.13 0.00 1.46 3.41 -1.26 0.40 113.62 113.00 1sm7 n SER 82 Ca -0.01 1.20 0.00 0.00 -0.26 0.00 0.00 58.87 59.81 1sm7 n SER 82 Cb 0.03 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 63.39 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 -4.36 0.00 0.08 6.66 -1.04 -1.24 -1.77 114.28 112.60 1sm7 n THR 83 Ca 0.41 1.40 -0.15 0.00 -2.04 0.00 0.00 64.05 63.67 1sm7 n THR 83 Cb 1.68 -2.17 -0.07 0.00 -1.82 0.00 0.00 70.33 67.94 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 0.39 -0.52 -2.82 9.65 -0.95 -2.18 114.38 117.95 1sm7 h ARG 84 Ca 0.00 -0.47 0.10 0.00 -1.10 0.00 0.00 59.98 58.50 1sm7 h ARG 84 Cb 0.00 0.15 -0.11 0.00 -1.39 0.00 0.00 29.97 28.62 1sm7 h ARG 84 CO 0.00 1.15 -0.28 0.82 2.80 0.00 0.00 179.97 184.46 1sm7 h ILE 85 N 0.19 0.25 -0.11 1.20 1.08 -0.14 0.37 117.51 120.35 1sm7 h ILE 85 Ca -0.10 0.00 -0.20 0.00 -0.39 0.00 0.00 64.86 64.17 1sm7 h ILE 85 Cb 1.70 0.25 0.00 0.00 -3.07 0.00 0.00 36.82 35.71 1sm7 h ILE 85 CO 0.18 0.00 -0.74 1.88 -0.69 0.00 0.00 178.15 178.78 1sm7 h TYR 86 N -0.15 0.75 0.00 1.37 -1.99 -1.39 0.45 116.97 116.00 1sm7 h TYR 86 Ca 0.23 -0.33 0.00 0.00 2.00 0.00 0.00 58.73 60.63 1sm7 h TYR 86 Cb 0.52 -0.12 0.00 0.00 2.00 0.00 0.00 36.73 39.13 1sm7 h TYR 86 CO -0.56 1.11 0.00 0.94 -0.00 0.00 0.00 178.16 179.65 1sm7 n GLN 87 N -3.88 0.09 -0.01 4.88 0.00 -0.24 -1.22 117.38 116.99 1sm7 n GLN 87 Ca -0.05 0.46 -0.00 0.00 -0.00 0.00 0.00 57.00 57.40 1sm7 n GLN 87 Cb 0.72 -1.73 -0.04 0.00 0.00 0.00 0.00 30.24 29.20 1sm7 n GLN 87 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 1sm7 n ILE 88 N -1.91 0.19 1.37 1.69 5.41 0.11 -4.44 119.36 121.79 1sm7 n ILE 88 Ca 0.01 -0.16 0.04 0.00 1.00 0.00 0.00 62.75 63.64 1sm7 n ILE 88 Cb 0.11 -0.41 0.14 0.00 -0.71 0.00 0.00 39.64 38.77 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 -1.98 2.48 -0.09 -1.39 0.00 0.16 -3.72 120.51 115.97 1sm7 n ALA 89 Ca -0.05 -0.36 -0.17 0.00 0.00 0.00 0.00 53.44 52.86 1sm7 n ALA 89 Cb 0.45 -1.01 -0.13 0.00 0.00 0.00 0.00 19.45 18.76 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 0.07 0.68 -0.14 0.00 -0.00 -0.36 -4.09 118.16 114.33 1sm7 n LYS 90 Ca 0.08 0.16 0.02 0.00 -0.00 0.00 0.00 58.31 58.57 1sm7 n LYS 90 Cb 0.18 -1.58 0.08 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 -3.22 1.46 0.07 -5.58 0.23 -1.24 -3.90 115.26 103.07 1sm7 n ASN 91 Ca -0.39 -2.10 -0.04 0.00 -0.53 0.00 0.00 54.58 51.53 1sm7 n ASN 91 Cb 1.03 -0.31 -0.02 0.00 -2.08 0.00 0.00 39.78 38.41 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 0.97 -0.20 -0.81 -4.53 3.38 -1.71 -3.29 115.31 109.12 1sm7 h LEU 92 Ca 0.00 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1sm7 h LEU 92 Cb 0.51 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1sm7 h LEU 92 CO 0.05 0.14 -0.49 1.55 0.09 0.00 0.00 178.44 179.77 1sm7 h PRO 93 N -0.79 0.00 0.00 1.13 0.13 -1.83 -0.81 132.00 129.83 1sm7 h PRO 93 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1sm7 h PRO 93 Cb 0.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.31 1sm7 h PRO 93 CO 0.04 0.49 0.00 -0.91 -0.23 0.00 0.00 178.00 177.39 1sm7 h ASN 94 N 0.00 0.00 0.00 1.44 2.35 -1.73 0.18 115.58 117.82 1sm7 h ASN 94 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1sm7 h ASN 94 Cb 1.02 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.39 1sm7 h ASN 94 CO 0.06 0.00 -0.27 0.52 -1.65 0.00 0.00 177.43 176.09 1sm7 n VAL 95 N -2.56 0.00 -1.75 2.81 0.31 -1.04 -4.60 118.33 111.50 1sm7 n VAL 95 Ca -0.02 -0.38 0.01 0.00 -0.01 0.00 0.00 64.34 63.94 1sm7 n VAL 95 Cb 0.06 0.90 0.16 0.00 -0.91 0.00 0.00 33.84 34.05 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 -0.93 0.04 -0.58 0.00 3.02 0.59 -4.79 115.26 112.61 1sm7 n ASN 97 Ca 0.22 0.03 0.03 0.00 -0.03 0.00 0.00 54.58 54.83 1sm7 n ASN 97 Cb 0.77 -0.07 0.05 0.00 -0.61 0.00 0.00 39.78 39.92 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 0.66 0.41 -3.20 3.52 0.00 -1.26 -4.95 117.12 112.31 1sm7 n MET 98 Ca 0.05 -1.70 0.01 0.00 0.00 0.00 0.00 57.70 56.06 1sm7 n MET 98 Cb 0.00 -0.72 -0.01 0.00 0.00 0.00 0.00 33.22 32.48 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 -0.89 0.64 -0.17 3.17 2.47 -1.26 -4.70 119.74 119.00 1sm7 s LYS 99 Ca 0.16 0.16 -0.00 0.00 -1.56 0.00 0.00 55.97 54.73 1sm7 s LYS 99 Cb 0.16 0.10 0.12 0.00 -1.46 0.00 0.00 37.83 36.75 1sm7 s LYS 99 CO -0.03 -1.10 1.97 0.94 0.16 0.00 0.00 175.35 177.29 1sm7 n GLN 100 N 5.01 1.43 0.14 4.03 0.00 -1.26 -3.73 117.38 122.99 1sm7 n GLN 100 Ca 0.07 -0.84 0.00 0.00 -0.00 0.00 0.00 57.00 56.23 1sm7 n GLN 100 Cb 0.54 -1.33 0.00 0.00 0.00 0.00 0.00 30.24 29.45 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 0.84 0.00 -2.93 1.69 0.13 -1.26 -5.04 119.36 112.78 1sm7 n ILE 101 Ca 0.16 0.00 -0.12 0.00 -1.10 0.00 0.00 62.75 61.69 1sm7 n ILE 101 Cb 0.56 -0.49 -0.01 0.00 -0.84 0.00 0.00 39.64 38.85 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 1.45 0.54 3.55 4.50 0.00 -1.25 -5.09 105.19 108.89 1sm7 n GLY 102 Ca 0.00 -0.22 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 1sm7 n GLY 102 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sm7 s THR 103 N 0.41 3.38 0.00 2.61 2.01 -1.24 -4.59 115.64 118.22 1sm7 s THR 103 Ca 0.32 0.02 0.00 0.00 0.31 0.00 0.00 61.69 62.33 1sm7 s THR 103 Cb 0.09 -3.95 0.00 0.00 0.01 0.00 0.00 72.50 68.65 1sm7 s THR 103 CO -0.14 -0.91 0.00 0.00 -0.69 0.00 0.00 174.62 172.88 1sm7 n PRO 105 N 0.00 2.51 -4.46 0.00 -0.04 -1.26 -4.80 135.00 126.95 1sm7 n PRO 105 Ca 0.00 -1.36 -0.25 0.00 -0.04 0.00 0.00 63.50 61.85 1sm7 n PRO 105 Cb 0.00 -2.24 -0.10 0.00 -0.04 0.00 0.00 33.50 31.12 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 1.35 2.30 0.00 0.54 -0.12 -1.26 -4.96 117.98 115.82 1sm7 s PHE 106 Ca 0.68 -0.33 0.00 0.00 -0.05 0.00 0.00 56.93 57.22 1sm7 s PHE 106 Cb 0.28 -1.02 0.00 0.00 -0.63 0.00 0.00 43.02 41.65 1sm7 s PHE 106 CO -0.02 0.68 0.00 0.44 -0.05 0.00 0.00 175.22 176.27 1sm7 n ILE 107 N -0.45 0.00 -1.93 -4.49 -5.35 -1.26 -4.98 119.36 100.90 1sm7 n ILE 107 Ca -0.06 0.00 -0.24 0.00 -0.27 0.00 0.00 62.75 62.17 1sm7 n ILE 107 Cb 0.59 0.00 -0.08 0.00 -1.74 0.00 0.00 39.64 38.42 1sm7 n ILE 107 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1sm7 s ALA 108 N 0.00 1.40 0.00 -1.28 0.00 -1.26 -5.00 121.76 115.62 1sm7 s ALA 108 Ca 0.00 -1.93 0.00 0.00 0.00 0.00 0.00 51.96 50.03 1sm7 s ALA 108 Cb 0.00 -4.68 0.00 0.00 0.00 0.00 0.00 23.12 18.44 1sm7 s ALA 108 CO 0.00 -5.72 0.37 0.44 0.00 0.00 0.00 175.76 170.85