#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sm7 s PRO 2 N 0.00 3.02 0.62 -1.09 0.04 -1.26 -4.85 135.00 131.48 1sm7 s PRO 2 Ca 0.00 0.89 0.36 0.00 0.04 0.00 0.00 61.00 62.29 1sm7 s PRO 2 Cb 0.00 -4.26 2.04 0.00 0.04 0.00 0.00 34.50 32.32 1sm7 s PRO 2 CO 0.00 -2.25 2.29 0.37 0.04 0.00 0.00 177.00 177.45 1sm7 h GLN 3 N 13.45 0.00 -0.93 4.56 5.75 -2.03 -2.24 115.11 133.67 1sm7 h GLN 3 Ca -0.29 0.00 0.26 0.00 -0.15 0.00 0.00 58.65 58.48 1sm7 h GLN 3 Cb 1.15 0.00 -0.16 0.00 1.07 0.00 0.00 27.48 29.54 1sm7 h GLN 3 CO 1.14 0.01 0.16 -0.22 -2.65 0.00 0.00 178.83 177.26 1sm7 h LYS 4 N 0.00 0.09 -0.78 1.69 3.11 -1.95 -0.01 116.57 118.72 1sm7 h LYS 4 Ca -0.00 -0.01 0.18 0.00 -2.81 0.00 0.00 60.65 58.02 1sm7 h LYS 4 Cb 0.03 -0.02 -0.13 0.00 -1.00 0.00 0.00 32.23 31.11 1sm7 h LYS 4 CO 0.00 0.06 0.06 0.00 -2.81 0.00 0.00 179.45 176.76 1sm7 h GLN 6 N 0.13 0.04 -0.11 0.00 1.08 -1.07 0.11 115.11 115.29 1sm7 h GLN 6 Ca 0.44 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.64 1sm7 h GLN 6 Cb 0.80 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.22 1sm7 h GLN 6 CO -0.66 0.03 0.00 0.54 -0.95 0.00 0.00 178.83 177.79 1sm7 n ARG 7 N -5.21 0.96 -0.04 1.46 3.00 0.75 -3.74 116.66 113.84 1sm7 n ARG 7 Ca -0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 57.85 57.80 1sm7 n ARG 7 Cb 0.16 -1.05 -0.08 0.00 0.00 0.00 0.00 32.46 31.49 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 -0.44 2.17 0.02 5.56 1.02 0.90 -3.77 120.64 126.10 1sm7 n GLU 8 Ca 0.00 -0.02 -0.13 0.00 -0.02 0.00 0.00 57.16 57.00 1sm7 n GLU 8 Cb 0.03 -1.25 -0.09 0.00 -0.02 0.00 0.00 31.44 30.11 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 -0.09 0.00 -0.32 3.04 -1.28 -3.21 116.94 115.09 1sm7 h PHE 9 Ca -0.23 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.72 1sm7 h PHE 9 Cb 1.46 0.03 0.00 0.00 2.56 0.00 0.00 35.95 40.00 1sm7 h PHE 9 CO 0.00 0.37 -0.59 0.94 -2.02 0.00 0.00 178.31 177.01 1sm7 n GLN 10 N -4.90 0.17 -0.17 1.11 7.27 -1.25 -1.37 117.38 118.23 1sm7 n GLN 10 Ca -0.08 0.04 -0.09 0.00 0.07 0.00 0.00 57.00 56.94 1sm7 n GLN 10 Cb 0.26 -1.60 -0.04 0.00 2.41 0.00 0.00 30.24 31.27 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 -0.25 0.00 3.69 -0.00 -1.64 -3.41 115.11 113.49 1sm7 h GLN 11 Ca 0.00 0.02 -0.02 0.00 -0.00 0.00 0.00 58.65 58.64 1sm7 h GLN 11 Cb 0.64 0.06 -0.02 0.00 0.00 0.00 0.00 27.48 28.16 1sm7 h GLN 11 CO 0.00 -0.17 -0.05 -0.85 0.00 0.00 0.00 178.83 177.76 1sm7 n GLU 12 N -5.41 0.00 -2.72 1.69 0.28 -1.26 -5.03 120.64 108.19 1sm7 n GLU 12 Ca 0.01 -0.19 -0.08 0.00 -0.16 0.00 0.00 57.16 56.74 1sm7 n GLU 12 Cb 0.35 0.45 0.09 0.00 1.43 0.00 0.00 31.44 33.76 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 0.85 0.00 3.44 7.27 -1.17 -5.12 117.38 122.65 1sm7 n GLN 13 Ca -0.05 -1.69 0.00 0.00 0.07 0.00 0.00 57.00 55.32 1sm7 n GLN 13 Cb 0.32 -0.89 0.00 0.00 2.41 0.00 0.00 30.24 32.08 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 0.47 -1.89 -3.39 3.69 8.25 -0.47 -4.61 115.22 117.26 1sm7 n HIS 14 Ca 0.04 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.31 1sm7 n HIS 14 Cb 0.71 0.00 -0.01 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 3.57 0.00 2.41 2.01 -1.26 -5.05 118.68 120.36 1sm7 s LEU 15 Ca 0.00 -0.55 0.00 0.00 0.01 0.00 0.00 54.13 53.59 1sm7 s LEU 15 Cb 0.00 -2.35 0.00 0.00 0.01 0.00 0.00 46.19 43.85 1sm7 s LEU 15 CO 0.00 -0.63 0.00 0.54 1.01 0.00 0.00 176.35 177.27 1sm7 n ARG 16 N -1.64 0.00 -0.24 1.70 5.12 -1.26 -4.69 116.66 115.65 1sm7 n ARG 16 Ca 0.04 0.00 0.31 0.00 -1.93 0.00 0.00 57.85 56.28 1sm7 n ARG 16 Cb 0.60 0.00 0.62 0.00 -1.16 0.00 0.00 32.46 32.52 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 0.35 2.94 0.09 7.54 0.00 -1.94 0.51 119.26 128.75 1sm7 h ALA 17 Ca 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1sm7 h ALA 17 Cb 0.00 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1sm7 h ALA 17 CO 0.00 -1.57 -0.04 0.00 0.00 0.00 0.00 179.25 177.64 1sm7 n GLN 19 N -4.83 1.68 0.00 0.00 10.64 0.91 -4.04 117.38 121.74 1sm7 n GLN 19 Ca -0.08 -1.17 0.00 0.00 -1.83 0.00 0.00 57.00 53.92 1sm7 n GLN 19 Cb 0.29 -1.52 0.00 0.00 -0.86 0.00 0.00 30.24 28.15 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 -0.06 0.08 -0.09 2.61 6.02 0.14 -4.70 117.38 121.37 1sm7 n GLN 20 Ca 0.21 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 57.25 1sm7 n GLN 20 Cb 0.89 -0.52 0.39 0.00 1.02 0.00 0.00 30.24 32.02 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 0.63 -0.25 1.08 5.08 -1.50 0.23 115.95 121.21 1sm7 h TRP 21 Ca 0.00 0.02 -0.06 0.00 1.08 0.00 0.00 58.89 59.93 1sm7 h TRP 21 Cb 0.04 -0.21 -0.01 0.00 -3.00 0.00 0.00 29.16 25.97 1sm7 h TRP 21 CO 0.00 0.36 -0.09 0.82 -1.28 0.00 0.00 178.44 178.25 1sm7 h ILE 22 N 0.65 1.20 0.00 0.12 2.04 -1.84 -1.69 117.51 118.00 1sm7 h ILE 22 Ca 0.23 -0.87 -0.10 0.00 1.00 0.00 0.00 64.86 65.12 1sm7 h ILE 22 Cb 0.12 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 1sm7 h ILE 22 CO -0.06 0.28 -0.49 0.03 0.00 0.00 0.00 178.15 177.91 1sm7 h ARG 23 N 0.39 0.00 -0.02 2.37 -0.00 -1.28 -2.88 114.38 112.96 1sm7 h ARG 23 Ca 0.08 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.56 1sm7 h ARG 23 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.37 1sm7 h ARG 23 CO 0.02 0.49 0.00 1.04 0.00 0.00 0.00 179.97 181.52 1sm7 n GLN 24 N -3.74 1.12 0.00 0.04 1.13 -0.59 -3.41 117.38 111.93 1sm7 n GLN 24 Ca -0.01 -0.18 0.12 0.00 -1.94 0.00 0.00 57.00 54.99 1sm7 n GLN 24 Cb 0.55 -1.37 0.15 0.00 0.11 0.00 0.00 30.24 29.68 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 -0.66 0.19 -4.42 -1.09 6.02 -0.95 -4.96 117.38 111.51 1sm7 n GLN 25 Ca 0.17 -0.13 -0.20 0.00 -0.01 0.00 0.00 57.00 56.82 1sm7 n GLN 25 Cb 0.12 -1.50 -0.10 0.00 1.02 0.00 0.00 30.24 29.78 1sm7 n GLN 25 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1sm7 s LEU 26 N -2.90 2.23 -0.16 1.08 1.02 -1.22 -5.04 118.68 113.69 1sm7 s LEU 26 Ca 0.13 -1.31 0.00 0.00 0.02 0.00 0.00 54.13 52.97 1sm7 s LEU 26 Cb 0.17 -0.40 0.16 0.00 0.02 0.00 0.00 46.19 46.15 1sm7 s LEU 26 CO 0.71 -0.54 1.66 0.00 0.02 0.00 0.00 176.35 178.20 1sm7 n ALA 27 N -0.61 4.08 -1.82 4.21 0.00 -1.26 -4.13 120.51 120.98 1sm7 n ALA 27 Ca -0.03 -0.93 -0.11 0.00 0.00 0.00 0.00 53.44 52.37 1sm7 n ALA 27 Cb 0.65 -1.18 0.11 0.00 0.00 0.00 0.00 19.45 19.03 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 0.43 5.82 2.63 0.00 0.00 -1.26 -4.88 105.19 107.93 1sm7 n GLY 28 Ca 0.18 -2.04 -0.28 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 -3.40 3.04 1.06 1.61 0.15 -1.26 -4.99 113.70 109.90 1sm7 s SER 29 Ca 0.45 -3.29 -0.17 0.00 0.70 0.00 0.00 55.95 53.65 1sm7 s SER 29 Cb 0.39 -0.97 0.23 0.00 -1.71 0.00 0.00 66.02 63.96 1sm7 s SER 29 CO -0.01 -0.15 1.20 -2.16 1.20 0.00 0.00 173.24 173.32 1sm7 s PRO 30 N -0.45 -0.08 -0.25 5.44 0.04 -1.26 -5.06 135.00 133.37 1sm7 s PRO 30 Ca 0.28 -0.14 -0.38 0.00 0.04 0.00 0.00 61.00 60.80 1sm7 s PRO 30 Cb -0.04 -1.74 0.16 0.00 0.04 0.00 0.00 34.50 32.92 1sm7 s PRO 30 CO -0.16 -2.94 1.39 -0.59 0.04 0.00 0.00 177.00 174.74 1sm7 s PHE 31 N -3.40 -0.01 0.00 0.56 -0.12 -1.26 -4.74 117.98 109.00 1sm7 s PHE 31 Ca 0.71 0.01 0.00 0.00 -0.05 0.00 0.00 56.93 57.59 1sm7 s PHE 31 Cb -0.08 0.50 0.00 0.00 -0.63 0.00 0.00 43.02 42.81 1sm7 s PHE 31 CO 0.54 -0.02 0.00 -1.13 -0.05 0.00 0.00 175.22 174.56 1sm7 n SER 32 N -0.10 0.00 -0.04 1.98 3.41 -1.26 -4.99 113.62 112.63 1sm7 n SER 32 Ca 0.03 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.58 1sm7 n SER 32 Cb 0.58 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.50 1sm7 n SER 32 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1sm7 n GLU 33 N 0.00 0.16 -3.22 4.33 2.13 -1.26 -4.79 120.64 117.99 1sm7 n GLU 33 Ca 0.00 0.05 -0.39 0.00 0.66 0.00 0.00 57.16 57.48 1sm7 n GLU 33 Cb 0.00 -0.99 -0.02 0.00 0.27 0.00 0.00 31.44 30.70 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 -2.95 5.44 -4.39 4.31 5.15 -1.26 -5.06 115.26 116.51 1sm7 n ASN 34 Ca -0.13 -3.35 -0.38 0.00 -0.60 0.00 0.00 54.58 50.12 1sm7 n ASN 34 Cb 0.62 -1.12 0.03 0.00 -0.53 0.00 0.00 39.78 38.78 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 1.48 0.32 -0.85 1.20 -0.06 -1.26 -4.80 117.38 113.40 1sm7 n GLN 35 Ca 0.26 0.12 -0.10 0.00 -2.00 0.00 0.00 57.00 55.29 1sm7 n GLN 35 Cb 0.36 -1.45 -0.14 0.00 -4.06 0.00 0.00 30.24 24.96 1sm7 n GLN 35 CO 0.00 0.00 0.00 1.87 -0.20 0.00 0.00 177.06 178.73 1sm7 n TRP 36 N -1.65 0.00 -4.02 3.69 -0.00 -1.26 -4.65 117.44 109.54 1sm7 n TRP 36 Ca 0.10 -1.31 -0.37 0.00 -0.00 0.00 0.00 57.50 55.92 1sm7 n TRP 36 Cb 0.47 -1.36 0.01 0.00 -0.00 0.00 0.00 31.31 30.43 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 2.41 -0.63 0.13 5.87 0.00 -1.26 -4.79 105.19 106.92 1sm7 n GLY 37 Ca 0.34 0.25 -0.16 0.00 0.00 0.00 0.00 46.02 46.46 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 -1.46 0.34 -0.03 1.61 0.13 -1.83 0.61 132.00 131.38 1sm7 h PRO 38 Ca -0.57 -0.31 0.00 0.00 -0.87 0.00 0.00 66.00 64.25 1sm7 h PRO 38 Cb 1.11 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1sm7 h PRO 38 CO 0.42 0.97 0.00 1.04 -0.23 0.00 0.00 178.00 180.20 1sm7 n GLN 39 N -4.37 1.20 -0.02 0.86 1.13 -1.26 -2.10 117.38 112.82 1sm7 n GLN 39 Ca -0.09 -0.29 -0.02 0.00 -1.94 0.00 0.00 57.00 54.65 1sm7 n GLN 39 Cb 0.55 -1.38 -0.02 0.00 0.11 0.00 0.00 30.24 29.51 1sm7 n GLN 39 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 1sm7 n GLN 40 N -0.54 1.47 -3.17 -1.09 7.27 -1.18 -4.87 117.38 115.28 1sm7 n GLN 40 Ca 0.17 0.01 -0.19 0.00 0.07 0.00 0.00 57.00 57.07 1sm7 n GLN 40 Cb 0.15 -1.07 -0.03 0.00 2.41 0.00 0.00 30.24 31.69 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 3.12 3.30 0.12 1.69 0.00 0.21 -4.99 105.19 108.65 1sm7 n GLY 41 Ca -0.06 -1.58 -0.09 0.00 0.00 0.00 0.00 46.02 44.29 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 3.23 -0.19 -3.14 1.61 0.13 -1.47 -3.35 132.00 128.83 1sm7 h PRO 42 Ca 0.08 0.01 -0.71 0.00 -0.87 0.00 0.00 66.00 64.52 1sm7 h PRO 42 Cb 0.96 0.04 -0.05 0.00 0.13 0.00 0.00 31.00 32.08 1sm7 h PRO 42 CO 0.48 0.21 3.08 0.43 -0.23 0.00 0.00 178.00 181.97 1sm7 n SER 43 N -4.89 7.20 -0.28 1.44 7.64 -1.26 -4.74 113.62 118.74 1sm7 n SER 43 Ca -0.07 -2.85 0.03 0.00 1.01 0.00 0.00 58.87 56.99 1sm7 n SER 43 Cb 0.24 -1.51 0.17 0.00 -1.01 0.00 0.00 64.21 62.10 1sm7 n SER 43 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1sm7 h LEU 44 N 7.25 0.62 -2.35 -3.43 4.07 -1.89 0.58 115.31 120.16 1sm7 h LEU 44 Ca 0.71 0.05 0.00 0.00 0.08 0.00 0.00 57.88 58.72 1sm7 h LEU 44 Cb 0.40 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.07 1sm7 h LEU 44 CO 1.70 0.35 0.05 0.03 -1.08 0.00 0.00 178.44 179.49 1sm7 h ARG 45 N 0.74 0.00 0.00 1.13 2.47 -1.85 0.81 114.38 117.68 1sm7 h ARG 45 Ca 0.39 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 59.09 1sm7 h ARG 45 Cb 0.39 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.70 1sm7 h ARG 45 CO -0.26 0.00 -1.94 0.39 0.56 0.00 0.00 179.97 178.72 1sm7 n GLU 46 N -2.78 0.63 -0.12 0.04 1.02 0.64 -3.85 120.64 116.21 1sm7 n GLU 46 Ca -0.02 -0.17 -0.22 0.00 -0.02 0.00 0.00 57.16 56.72 1sm7 n GLU 46 Cb 0.10 -1.48 -0.09 0.00 -0.02 0.00 0.00 31.44 29.96 1sm7 n GLU 46 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1sm7 n GLN 47 N -2.22 0.56 -0.18 3.49 6.02 0.17 -4.11 117.38 121.11 1sm7 n GLN 47 Ca -0.05 0.36 -0.01 0.00 -0.01 0.00 0.00 57.00 57.29 1sm7 n GLN 47 Cb 0.55 -1.57 0.09 0.00 1.02 0.00 0.00 30.24 30.34 1sm7 n GLN 47 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1sm7 n ASN 50 N -2.07 1.76 0.26 0.00 3.02 -0.36 -4.23 115.26 113.65 1sm7 n ASN 50 Ca -0.01 0.18 0.18 0.00 -0.03 0.00 0.00 54.58 54.90 1sm7 n ASN 50 Cb 0.24 -0.58 0.94 0.00 -0.61 0.00 0.00 39.78 39.78 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 -0.61 0.00 0.01 3.52 4.11 0.76 -0.19 114.58 122.18 1sm7 h GLU 51 Ca -0.54 0.00 -0.33 0.00 0.07 0.00 0.00 59.36 58.56 1sm7 h GLU 51 Cb 1.55 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.74 1sm7 h GLU 51 CO -0.28 0.00 -2.01 1.47 0.07 0.00 0.00 179.01 178.26 1sm7 n LEU 52 N -2.74 0.86 -0.47 3.06 -0.00 0.94 -4.26 117.00 114.39 1sm7 n LEU 52 Ca -0.02 0.23 0.07 0.00 -0.00 0.00 0.00 56.01 56.28 1sm7 n LEU 52 Cb 0.07 0.10 0.24 0.00 -0.00 0.00 0.00 43.42 43.83 1sm7 n LEU 52 CO 0.16 0.50 0.68 0.00 -0.00 0.00 0.00 177.39 178.73 1sm7 n TYR 53 N -3.00 0.28 -0.02 1.47 4.19 -0.18 -3.65 117.16 116.26 1sm7 n TYR 53 Ca -0.25 -0.14 -0.15 0.00 3.31 0.00 0.00 57.90 60.66 1sm7 n TYR 53 Cb 1.08 0.00 -0.14 0.00 0.49 0.00 0.00 39.34 40.77 1sm7 n TYR 53 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1sm7 n GLN 54 N 0.21 0.70 -0.06 2.98 10.64 -0.64 -4.07 117.38 127.14 1sm7 n GLN 54 Ca 0.12 0.26 0.01 0.00 -1.83 0.00 0.00 57.00 55.56 1sm7 n GLN 54 Cb 0.25 -1.72 0.04 0.00 -0.86 0.00 0.00 30.24 27.94 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 -3.25 1.26 -0.00 2.61 1.02 -1.24 -5.01 120.64 116.02 1sm7 n GLU 55 Ca -0.27 -0.30 0.00 0.00 -0.02 0.00 0.00 57.16 56.57 1sm7 n GLU 55 Cb 1.05 -1.22 -0.00 0.00 -0.02 0.00 0.00 31.44 31.25 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 -0.16 -0.05 0.11 1.62 2.03 -1.26 -3.89 116.55 114.94 1sm7 n ASP 56 Ca 0.03 0.00 0.07 0.00 0.52 0.00 0.00 54.79 55.41 1sm7 n ASP 56 Cb 0.16 -0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.56 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 0.00 0.00 -0.67 7.50 -1.89 -3.26 115.11 116.79 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 0.14 0.00 0.28 -1.50 0.00 0.00 178.83 177.75 1sm7 n VAL 58 N -2.87 0.07 0.01 -0.54 0.31 -1.26 -2.14 118.33 111.90 1sm7 n VAL 58 Ca -0.02 0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1sm7 n VAL 58 Cb 0.65 -0.58 0.00 0.00 -0.91 0.00 0.00 33.84 33.00 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 0.07 0.00 0.00 0.00 2.07 -1.47 -3.38 116.25 113.53 1sm7 h VAL 60 Ca 0.00 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 66.90 1sm7 h VAL 60 Cb 0.24 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 1sm7 h VAL 60 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 1sm7 n PRO 62 N -0.04 0.27 -0.35 0.00 -0.04 -1.26 -4.81 135.00 128.77 1sm7 n PRO 62 Ca 0.00 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.53 1sm7 n PRO 62 Cb 0.00 -1.29 0.15 0.00 -0.04 0.00 0.00 33.50 32.32 1sm7 n PRO 62 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1sm7 n THR 63 N -0.79 -0.41 -0.25 0.52 -2.24 -1.26 -0.66 114.28 109.19 1sm7 n THR 63 Ca 0.04 2.24 0.12 0.00 -2.27 0.00 0.00 64.05 64.18 1sm7 n THR 63 Cb 0.02 -3.12 0.39 0.00 -2.10 0.00 0.00 70.33 65.52 1sm7 n THR 63 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1sm7 h LEU 64 N 0.00 0.62 -1.09 3.22 6.46 -1.74 0.11 115.31 122.89 1sm7 h LEU 64 Ca 0.48 0.03 0.17 0.00 -0.12 0.00 0.00 57.88 58.45 1sm7 h LEU 64 Cb 0.75 -0.09 -0.09 0.00 -0.73 0.00 0.00 40.66 40.50 1sm7 h LEU 64 CO -1.00 0.33 0.61 0.50 -0.62 0.00 0.00 178.44 178.26 1sm7 h LYS 65 N 0.67 0.75 0.70 1.25 3.11 -1.20 0.68 116.57 122.54 1sm7 h LYS 65 Ca 0.43 -0.05 -0.03 0.00 -2.81 0.00 0.00 60.65 58.19 1sm7 h LYS 65 Cb 0.69 -0.17 0.01 0.00 -1.00 0.00 0.00 32.23 31.76 1sm7 h LYS 65 CO -0.18 0.50 -0.34 0.37 -2.81 0.00 0.00 179.45 176.99 1sm7 h GLN 66 N 0.78 -0.91 -0.15 1.90 5.75 -0.75 -0.20 115.11 121.52 1sm7 h GLN 66 Ca 0.54 0.06 0.04 0.00 -0.15 0.00 0.00 58.65 59.14 1sm7 h GLN 66 Cb 0.82 0.21 -0.01 0.00 1.07 0.00 0.00 27.48 29.57 1sm7 h GLN 66 CO -0.32 -0.60 0.25 0.00 -2.65 0.00 0.00 178.83 175.52 1sm7 h ALA 67 N -0.69 1.63 0.01 3.38 0.00 -1.27 0.27 119.26 122.60 1sm7 h ALA 67 Ca -0.10 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1sm7 h ALA 67 Cb 0.73 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1sm7 h ALA 67 CO 0.16 -0.33 -0.00 0.00 0.00 0.00 0.00 179.25 179.07 1sm7 h ALA 68 N 1.63 -0.01 0.00 0.00 0.00 -0.56 0.34 119.26 120.67 1sm7 h ALA 68 Ca 0.07 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1sm7 h ALA 68 Cb 0.58 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1sm7 h ALA 68 CO -0.00 -0.16 -0.15 -0.22 0.00 0.00 0.00 179.25 178.71 1sm7 h LYS 69 N -0.70 0.00 -0.51 0.00 1.63 0.46 -2.15 116.57 115.30 1sm7 h LYS 69 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1sm7 h LYS 69 Cb 0.68 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.31 1sm7 h LYS 69 CO 0.00 0.15 0.00 0.45 -3.45 0.00 0.00 179.45 176.61 1sm7 n SER 70 N -3.45 3.88 0.21 4.20 2.88 0.81 -3.87 113.62 118.28 1sm7 n SER 70 Ca -0.01 -2.30 0.07 0.00 -1.33 0.00 0.00 58.87 55.31 1sm7 n SER 70 Cb 0.33 -0.44 0.42 0.00 -0.75 0.00 0.00 64.21 63.77 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 3.10 0.79 0.00 2.46 3.04 0.39 -3.32 116.25 122.72 1sm7 h VAL 71 Ca 0.00 -1.26 -0.02 0.00 -1.01 0.00 0.00 66.70 64.41 1sm7 h VAL 71 Cb 1.12 1.78 -0.03 0.00 -2.01 0.00 0.00 31.29 32.16 1sm7 h VAL 71 CO 0.11 0.30 -0.14 -1.14 -1.01 0.00 0.00 177.57 175.68 1sm7 n ARG 72 N -3.57 0.00 -1.51 4.17 0.00 -1.26 -4.83 116.66 109.66 1sm7 n ARG 72 Ca -0.01 -0.35 -0.26 0.00 -0.00 0.00 0.00 57.85 57.24 1sm7 n ARG 72 Cb 0.44 0.00 -0.19 0.00 0.00 0.00 0.00 32.46 32.71 1sm7 n ARG 72 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.63 179.18 1sm7 n VAL 73 N 0.02 -0.00 -0.99 5.15 3.14 -1.25 -4.74 118.33 119.65 1sm7 n VAL 73 Ca -0.04 -0.39 -0.02 0.00 -2.96 0.00 0.00 64.34 60.93 1sm7 n VAL 73 Cb 0.58 -0.38 0.34 0.00 -1.06 0.00 0.00 33.84 33.32 1sm7 n VAL 73 CO 0.00 0.00 0.00 1.67 -6.46 0.00 0.00 176.83 172.04 1sm7 n GLN 74 N 6.61 4.12 0.00 1.45 7.27 -1.26 -4.77 117.38 130.80 1sm7 n GLN 74 Ca 0.65 -3.11 0.00 0.00 0.07 0.00 0.00 57.00 54.61 1sm7 n GLN 74 Cb 0.15 -2.24 0.00 0.00 2.41 0.00 0.00 30.24 30.56 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 0.10 1.33 0.00 1.69 0.00 -1.26 -5.08 105.19 101.97 1sm7 n GLY 75 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 -0.77 0.00 -3.22 1.61 6.02 -1.26 -5.16 117.38 114.59 1sm7 n GLN 76 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 56.98 1sm7 n GLN 76 Cb 0.00 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.23 1sm7 n GLN 76 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1sm7 s HIS 77 N -2.00 -1.35 0.23 1.08 3.76 -1.26 -4.67 115.29 111.09 1sm7 s HIS 77 Ca 0.00 1.33 0.00 0.00 -0.15 0.00 0.00 55.06 56.24 1sm7 s HIS 77 Cb 0.00 0.34 0.00 0.00 1.11 0.00 0.00 32.58 34.03 1sm7 s HIS 77 CO 0.00 -0.85 0.00 0.41 -0.85 0.00 0.00 174.74 173.45 1sm7 n GLY 78 N 5.40 -1.43 0.00 -2.22 0.00 -1.26 -4.85 105.19 100.84 1sm7 n GLY 78 Ca -0.01 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.40 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 -3.10 0.76 0.00 1.61 -0.04 -1.26 -3.68 135.00 129.29 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 -0.58 0.00 0.00 0.54 3.72 -1.26 0.13 117.46 120.01 1sm7 n PHE 80 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1sm7 n PHE 80 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 1sm7 n PHE 80 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1sm7 n GLN 81 N -0.01 0.00 -0.29 -1.08 10.64 -1.26 -1.25 117.38 124.13 1sm7 n GLN 81 Ca 0.00 0.51 0.04 0.00 -1.83 0.00 0.00 57.00 55.72 1sm7 n GLN 81 Cb 0.00 -0.85 0.17 0.00 -0.86 0.00 0.00 30.24 28.70 1sm7 n GLN 81 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.06 176.00 1sm7 h SER 82 N 0.00 0.61 -0.41 2.61 0.02 -0.49 0.56 113.55 116.46 1sm7 h SER 82 Ca 0.00 0.06 0.12 0.00 -0.84 0.00 0.00 61.79 61.13 1sm7 h SER 82 Cb 0.00 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 1sm7 h SER 82 CO 0.00 0.33 0.68 0.00 -1.14 0.00 0.00 176.83 176.71 1sm7 h THR 83 N 0.73 0.14 0.00 -2.27 1.03 0.36 -1.20 112.91 111.70 1sm7 h THR 83 Ca 0.40 0.00 -0.03 0.00 -0.01 0.00 0.00 66.41 66.77 1sm7 h THR 83 Cb 0.42 0.41 -0.01 0.00 -1.07 0.00 0.00 68.15 67.90 1sm7 h THR 83 CO -0.27 0.00 -1.12 -1.14 -0.01 0.00 0.00 175.52 172.98 1sm7 n ARG 84 N -3.23 0.05 -0.39 0.00 3.00 -0.42 -4.06 116.66 111.61 1sm7 n ARG 84 Ca 0.08 0.02 0.31 0.00 -0.00 0.00 0.00 57.85 58.26 1sm7 n ARG 84 Cb 0.84 -0.82 0.58 0.00 0.00 0.00 0.00 32.46 33.06 1sm7 n ARG 84 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 1sm7 h ILE 85 N -0.04 0.25 0.09 5.15 1.08 0.32 0.16 117.51 124.52 1sm7 h ILE 85 Ca -0.05 -0.07 -0.31 0.00 -0.39 0.00 0.00 64.86 64.05 1sm7 h ILE 85 Cb 1.06 0.04 -0.02 0.00 -3.07 0.00 0.00 36.82 34.83 1sm7 h ILE 85 CO -0.02 0.04 -1.64 1.88 -0.69 0.00 0.00 178.15 177.71 1sm7 h TYR 86 N 0.20 0.33 -0.09 1.37 -1.99 -1.44 -3.06 116.97 112.29 1sm7 h TYR 86 Ca 0.75 -0.24 0.02 0.00 2.00 0.00 0.00 58.73 61.26 1sm7 h TYR 86 Cb 2.15 -0.01 -0.00 0.00 2.00 0.00 0.00 36.73 40.86 1sm7 h TYR 86 CO -0.01 1.65 0.26 0.37 -0.00 0.00 0.00 178.16 180.43 1sm7 h GLN 87 N -0.34 0.00 0.05 4.88 -0.00 -1.21 0.21 115.11 118.70 1sm7 h GLN 87 Ca -0.38 0.00 -0.37 0.00 -0.00 0.00 0.00 58.65 57.91 1sm7 h GLN 87 Cb 1.75 0.00 -0.05 0.00 0.00 0.00 0.00 27.48 29.19 1sm7 h GLN 87 CO -0.01 0.00 -2.19 -0.89 0.00 0.00 0.00 178.83 175.75 1sm7 n ILE 88 N -3.19 1.60 1.86 2.39 5.41 0.39 -4.08 119.36 123.74 1sm7 n ILE 88 Ca -0.00 -0.67 0.04 0.00 1.00 0.00 0.00 62.75 63.11 1sm7 n ILE 88 Cb 0.34 -1.36 0.21 0.00 -0.71 0.00 0.00 39.64 38.13 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 -3.00 2.47 -0.07 -1.39 0.00 -0.03 -3.22 120.51 115.27 1sm7 n ALA 89 Ca -0.35 -0.05 -0.09 0.00 0.00 0.00 0.00 53.44 52.96 1sm7 n ALA 89 Cb 1.04 -1.12 -0.15 0.00 0.00 0.00 0.00 19.45 19.22 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 -0.62 0.67 -0.06 0.00 -0.00 0.54 -3.95 118.16 114.74 1sm7 n LYS 90 Ca 0.05 0.07 0.09 0.00 -0.00 0.00 0.00 58.31 58.53 1sm7 n LYS 90 Cb 0.02 -1.60 0.39 0.00 -0.00 0.00 0.00 35.03 33.85 1sm7 n LYS 90 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1sm7 n ASN 91 N -2.81 1.18 0.21 -5.58 3.02 -1.20 -4.25 115.26 105.83 1sm7 n ASN 91 Ca -0.27 -1.66 -0.09 0.00 -0.03 0.00 0.00 54.58 52.53 1sm7 n ASN 91 Cb 1.10 -0.08 -0.04 0.00 -0.61 0.00 0.00 39.78 40.14 1sm7 n ASN 91 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1sm7 h LEU 92 N 1.53 -0.50 0.00 3.41 3.38 -1.68 -2.76 115.31 118.68 1sm7 h LEU 92 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1sm7 h LEU 92 Cb 0.34 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1sm7 h LEU 92 CO 0.00 -0.19 0.00 -0.81 0.09 0.00 0.00 178.44 177.53 1sm7 n PRO 93 N -4.52 0.50 -0.03 1.13 -0.04 -1.26 -0.17 135.00 130.61 1sm7 n PRO 93 Ca -0.07 0.01 -0.11 0.00 -0.04 0.00 0.00 63.50 63.29 1sm7 n PRO 93 Cb 0.23 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.05 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 0.94 -0.00 3.54 3.02 -1.22 -2.87 115.26 117.66 1sm7 n ASN 94 Ca 0.12 0.32 0.05 0.00 -0.03 0.00 0.00 54.58 55.04 1sm7 n ASN 94 Cb 0.06 -0.03 -0.07 0.00 -0.61 0.00 0.00 39.78 39.13 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 -3.07 0.00 -2.12 2.41 0.31 -0.93 -4.42 118.33 110.52 1sm7 n VAL 95 Ca -0.22 -0.25 -0.05 0.00 -0.01 0.00 0.00 64.34 63.82 1sm7 n VAL 95 Cb 1.07 0.75 0.09 0.00 -0.91 0.00 0.00 33.84 34.84 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 -0.59 0.14 -1.00 0.00 3.02 -1.14 -4.65 115.26 111.04 1sm7 n ASN 97 Ca 0.22 0.12 0.03 0.00 -0.03 0.00 0.00 54.58 54.92 1sm7 n ASN 97 Cb 0.88 -0.18 0.03 0.00 -0.61 0.00 0.00 39.78 39.90 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 1.57 0.18 -2.62 3.52 0.00 -1.26 -4.82 117.12 113.69 1sm7 n MET 98 Ca 0.12 -1.76 -0.04 0.00 0.00 0.00 0.00 57.70 56.02 1sm7 n MET 98 Cb -0.01 -0.38 0.11 0.00 0.00 0.00 0.00 33.22 32.95 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 0.10 1.18 -0.52 3.17 0.00 -1.26 -4.68 118.16 116.14 1sm7 n LYS 99 Ca 0.05 -1.35 0.43 0.00 -0.00 0.00 0.00 58.31 57.44 1sm7 n LYS 99 Cb 0.93 0.21 0.71 0.00 -0.00 0.00 0.00 35.03 36.88 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 1.33 0.01 0.11 -1.58 -0.00 -1.98 0.29 115.11 113.29 1sm7 h GLN 100 Ca -0.37 -0.00 0.01 0.00 -0.00 0.00 0.00 58.65 58.29 1sm7 h GLN 100 Cb 1.28 -0.00 -0.04 0.00 0.00 0.00 0.00 27.48 28.72 1sm7 h GLN 100 CO -0.14 0.00 -0.46 0.97 0.00 0.00 0.00 178.83 179.21 1sm7 h ILE 101 N 0.01 0.00 0.00 2.39 6.09 -1.99 -3.48 117.51 120.52 1sm7 h ILE 101 Ca 0.89 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 64.38 1sm7 h ILE 101 Cb 3.04 0.00 0.00 0.00 0.47 0.00 0.00 36.82 40.33 1sm7 h ILE 101 CO -0.37 0.00 0.00 0.61 -3.07 0.00 0.00 178.15 175.32 1sm7 n GLY 102 N -1.42 0.47 0.00 8.18 0.00 0.10 -5.13 105.19 107.39 1sm7 n GLY 102 Ca -0.07 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.57 2.61 -1.04 -1.26 -4.67 114.28 106.36 1sm7 n THR 103 Ca 0.00 0.33 -0.27 0.00 -2.04 0.00 0.00 64.05 62.07 1sm7 n THR 103 Cb 0.00 -0.78 -0.09 0.00 -1.82 0.00 0.00 70.33 67.63 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 1.20 1.17 -1.99 0.00 -0.04 -1.26 -4.87 135.00 129.21 1sm7 n PRO 105 Ca 0.27 -0.53 -0.31 0.00 -0.04 0.00 0.00 63.50 62.89 1sm7 n PRO 105 Cb 0.39 -1.70 0.00 0.00 -0.04 0.00 0.00 33.50 32.16 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 1.52 3.61 0.00 0.54 -0.71 -1.26 -4.88 117.98 116.79 1sm7 s PHE 106 Ca 0.35 1.27 0.00 0.00 -1.04 0.00 0.00 56.93 57.51 1sm7 s PHE 106 Cb 0.17 -2.69 0.00 0.00 -1.21 0.00 0.00 43.02 39.29 1sm7 s PHE 106 CO 0.00 -0.62 0.00 0.44 -1.34 0.00 0.00 175.22 173.70 1sm7 n ILE 107 N -2.59 0.00 -0.73 -4.49 -5.35 -1.26 -4.90 119.36 100.03 1sm7 n ILE 107 Ca 0.06 0.00 -0.17 0.00 -0.27 0.00 0.00 62.75 62.36 1sm7 n ILE 107 Cb 0.54 0.00 -0.05 0.00 -1.74 0.00 0.00 39.64 38.39 1sm7 n ILE 107 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1sm7 n ALA 108 N 0.00 4.75 1.98 -1.28 0.00 -1.26 -5.05 120.51 119.64 1sm7 n ALA 108 Ca 0.00 -1.76 0.16 0.00 0.00 0.00 0.00 53.44 51.84 1sm7 n ALA 108 Cb 0.00 -2.75 0.94 0.00 0.00 0.00 0.00 19.45 17.64 1sm7 n ALA 108 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94