#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k25 n SER 2 N 0.00 -6.15 -4.22 1.61 7.64 -1.26 -4.96 113.62 106.28 2k25 n SER 2 Ca 0.00 -0.26 -0.21 0.00 1.01 0.00 0.00 58.87 59.41 2k25 n SER 2 Cb 0.00 -4.98 -0.12 0.00 -1.01 0.00 0.00 64.21 58.10 2k25 n SER 2 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2k25 s LEU 3 N -6.62 2.28 -0.07 -3.43 1.43 -1.26 -5.15 118.68 105.86 2k25 s LEU 3 Ca 0.28 -0.63 0.05 0.00 -1.03 0.00 0.00 54.13 52.79 2k25 s LEU 3 Cb -0.12 -0.67 -0.01 0.00 0.03 0.00 0.00 46.19 45.42 2k25 s LEU 3 CO 0.34 -0.02 -0.25 -0.69 0.23 0.00 0.00 176.35 175.97 2k25 s VAL 4 N -1.20 2.05 1.09 -1.59 1.01 -1.26 -4.89 120.40 115.60 2k25 s VAL 4 Ca 0.02 -1.04 -0.18 0.00 0.00 0.00 0.00 61.98 60.77 2k25 s VAL 4 Cb -0.10 -1.75 0.27 0.00 0.00 0.00 0.00 36.38 34.81 2k25 s VAL 4 CO 0.03 0.56 0.97 -0.81 0.00 0.00 0.00 175.10 175.85 2k25 n PRO 5 N 3.18 -2.90 -3.78 2.72 -0.04 -1.26 -5.10 135.00 127.81 2k25 n PRO 5 Ca -0.18 -1.55 -0.17 0.00 -0.04 0.00 0.00 63.50 61.56 2k25 n PRO 5 Cb 0.52 -1.45 -0.06 0.00 -0.04 0.00 0.00 33.50 32.48 2k25 n PRO 5 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2k25 n ARG 6 N -4.46 0.49 0.00 0.54 5.12 -1.26 -5.17 116.66 111.92 2k25 n ARG 6 Ca 0.13 -2.61 0.00 0.00 -1.93 0.00 0.00 57.85 53.44 2k25 n ARG 6 Cb 0.52 1.77 0.00 0.00 -1.16 0.00 0.00 32.46 33.59 2k25 n ARG 6 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2k25 n GLY 7 N -0.29 2.38 0.00 -0.13 0.00 -1.26 -4.97 105.19 100.93 2k25 n GLY 7 Ca 0.01 -0.99 0.03 0.00 0.00 0.00 0.00 46.02 45.07 2k25 n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k25 n SER 8 N 0.00 3.65 -4.44 1.61 7.64 -1.26 -4.77 113.62 116.05 2k25 n SER 8 Ca 0.00 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.55 2k25 n SER 8 Cb 0.00 1.25 -0.13 0.00 -1.01 0.00 0.00 64.21 64.32 2k25 n SER 8 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2k25 s MET 9 N -2.40 3.03 0.01 1.43 -1.94 -1.26 -5.01 119.30 113.15 2k25 s MET 9 Ca -0.02 -0.66 0.05 0.00 -1.71 0.00 0.00 55.69 53.35 2k25 s MET 9 Cb 0.04 -2.56 -0.02 0.00 2.01 0.00 0.00 34.83 34.30 2k25 s MET 9 CO 0.25 0.41 -0.16 -0.65 -0.01 0.00 0.00 175.02 174.85 2k25 s GLN 10 N -0.16 1.24 0.18 2.03 1.11 -1.24 -4.12 119.66 118.70 2k25 s GLN 10 Ca -0.00 -0.68 -0.05 0.00 0.01 0.00 0.00 55.36 54.64 2k25 s GLN 10 Cb -0.13 -1.23 -0.03 0.00 -1.01 0.00 0.00 33.01 30.61 2k25 s GLN 10 CO 0.03 0.33 0.21 -1.50 0.01 0.00 0.00 175.29 174.37 2k25 s ILE 11 N -0.55 0.04 -0.24 1.08 1.10 0.80 -4.82 121.20 118.61 2k25 s ILE 11 Ca 0.05 -1.73 -0.05 0.00 -0.51 0.00 0.00 60.65 58.41 2k25 s ILE 11 Cb -0.07 -2.19 -0.01 0.00 0.15 0.00 0.00 42.46 40.34 2k25 s ILE 11 CO 0.00 -0.17 -0.00 0.12 -2.11 0.00 0.00 174.94 172.77 2k25 s PHE 12 N -4.06 3.02 -0.06 3.50 5.36 -1.26 -3.79 117.98 120.68 2k25 s PHE 12 Ca 0.28 -0.90 -0.01 0.00 -0.96 0.00 0.00 56.93 55.33 2k25 s PHE 12 Cb 0.05 -2.15 0.03 0.00 -0.34 0.00 0.00 43.02 40.61 2k25 s PHE 12 CO 0.06 -0.53 0.01 0.54 -1.46 0.00 0.00 175.22 173.84 2k25 s VAL 13 N 1.49 0.31 -0.18 3.12 0.11 -1.23 -2.70 120.40 121.32 2k25 s VAL 13 Ca 0.05 0.15 -0.13 0.00 -2.93 0.00 0.00 61.98 59.12 2k25 s VAL 13 Cb -0.15 -0.47 -0.05 0.00 -1.53 0.00 0.00 36.38 34.18 2k25 s VAL 13 CO -0.01 0.24 0.26 -0.54 -3.33 0.00 0.00 175.10 171.73 2k25 s LYS 14 N 1.92 4.22 0.47 1.54 -0.14 -1.26 -3.53 119.74 122.96 2k25 s LYS 14 Ca 0.04 0.02 -0.08 0.00 -1.36 0.00 0.00 55.97 54.58 2k25 s LYS 14 Cb -0.12 -3.45 0.11 0.00 -1.68 0.00 0.00 37.83 32.69 2k25 s LYS 14 CO -0.05 0.20 0.58 0.25 -0.76 0.00 0.00 175.35 175.57 2k25 n THR 15 N 3.74 0.00 0.06 2.17 -2.24 -0.61 -4.56 114.28 112.83 2k25 n THR 15 Ca -0.12 -0.40 -0.07 0.00 -2.27 0.00 0.00 64.05 61.19 2k25 n THR 15 Cb 0.52 -1.62 0.09 0.00 -2.10 0.00 0.00 70.33 67.21 2k25 n THR 15 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2k25 h LEU 16 N 0.00 0.39 0.00 3.22 4.07 -1.90 -3.20 115.31 117.89 2k25 h LEU 16 Ca -0.19 -0.22 -0.24 0.00 0.08 0.00 0.00 57.88 57.30 2k25 h LEU 16 Cb 0.55 -0.11 -0.04 0.00 1.08 0.00 0.00 40.66 42.14 2k25 h LEU 16 CO 0.13 0.91 -1.40 0.00 -1.08 0.00 0.00 178.44 177.01 2k25 h THR 17 N 0.25 1.09 0.00 0.22 1.03 -1.95 -3.48 112.91 110.07 2k25 h THR 17 Ca -0.01 -2.84 0.00 0.00 -0.01 0.00 0.00 66.41 63.55 2k25 h THR 17 Cb 1.15 2.52 0.00 0.00 -1.07 0.00 0.00 68.15 70.74 2k25 h THR 17 CO 0.10 0.62 0.00 0.61 -0.01 0.00 0.00 175.52 176.84 2k25 n GLY 18 N 1.46 0.34 3.74 2.99 0.00 -1.21 -5.13 105.19 107.39 2k25 n GLY 18 Ca -0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 2k25 n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k25 s LYS 19 N 0.00 2.72 -0.12 1.61 -0.14 -1.26 -4.62 119.74 117.93 2k25 s LYS 19 Ca 0.00 1.85 0.03 0.00 -1.36 0.00 0.00 55.97 56.49 2k25 s LYS 19 Cb 0.00 -1.89 -0.00 0.00 -1.68 0.00 0.00 37.83 34.26 2k25 s LYS 19 CO 0.00 -1.41 -0.21 0.95 -0.76 0.00 0.00 175.35 173.92 2k25 s THR 20 N -1.65 2.26 -0.01 2.17 -4.23 -1.26 -1.58 115.64 111.33 2k25 s THR 20 Ca 0.78 -0.94 0.03 0.00 -1.18 0.00 0.00 61.69 60.37 2k25 s THR 20 Cb -0.31 -1.89 -0.00 0.00 1.34 0.00 0.00 72.50 71.64 2k25 s THR 20 CO 0.37 0.55 -0.09 0.27 -0.54 0.00 0.00 174.62 175.18 2k25 s ILE 21 N 0.46 0.75 -0.10 2.99 -0.00 -1.23 -5.07 121.20 119.01 2k25 s ILE 21 Ca -0.15 -0.38 -0.30 0.00 -0.00 0.00 0.00 60.65 59.82 2k25 s ILE 21 Cb -0.17 -0.65 -0.02 0.00 -0.00 0.00 0.00 42.46 41.62 2k25 s ILE 21 CO 0.06 0.22 1.09 -0.89 -0.00 0.00 0.00 174.94 175.43 2k25 s THR 22 N -0.05 4.55 0.20 8.37 2.01 -1.26 -4.08 115.64 125.39 2k25 s THR 22 Ca 0.01 1.85 0.08 0.00 0.31 0.00 0.00 61.69 63.93 2k25 s THR 22 Cb -0.06 -4.19 -0.05 0.00 0.01 0.00 0.00 72.50 68.22 2k25 s THR 22 CO -0.00 -0.02 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.01 2k25 s LEU 23 N 2.23 2.55 0.10 4.42 1.02 -1.25 -4.42 118.68 123.34 2k25 s LEU 23 Ca 0.51 -1.03 0.02 0.00 0.02 0.00 0.00 54.13 53.65 2k25 s LEU 23 Cb -0.21 -0.65 -0.04 0.00 0.02 0.00 0.00 46.19 45.31 2k25 s LEU 23 CO 0.18 -0.19 0.20 -1.83 0.02 0.00 0.00 176.35 174.74 2k25 s GLU 24 N -3.65 3.27 0.01 1.70 4.04 -1.26 -0.14 118.70 122.66 2k25 s GLU 24 Ca 0.22 -0.58 -0.08 0.00 0.04 0.00 0.00 54.97 54.57 2k25 s GLU 24 Cb -0.00 -2.91 0.00 0.00 0.02 0.00 0.00 34.13 31.23 2k25 s GLU 24 CO 0.07 0.56 0.15 0.14 -1.84 0.00 0.00 175.26 174.34 2k25 s VAL 25 N -1.58 0.08 -0.18 1.83 -7.23 -1.26 -4.82 120.40 107.24 2k25 s VAL 25 Ca 0.33 -0.70 -0.30 0.00 -1.81 0.00 0.00 61.98 59.50 2k25 s VAL 25 Cb -0.12 -0.49 0.14 0.00 0.56 0.00 0.00 36.38 36.47 2k25 s VAL 25 CO 0.26 -0.39 1.06 -1.61 -0.31 0.00 0.00 175.10 174.12 2k25 s GLU 26 N -1.49 0.49 0.36 4.82 2.02 -1.26 -4.96 118.70 118.69 2k25 s GLU 26 Ca -0.14 0.13 0.15 0.00 0.02 0.00 0.00 54.97 55.13 2k25 s GLU 26 Cb -0.07 0.23 0.68 0.00 0.10 0.00 0.00 34.13 35.08 2k25 s GLU 26 CO 0.01 -0.15 1.77 -1.00 0.02 0.00 0.00 175.26 175.91 2k25 h PRO 27 N 2.50 0.00 0.00 0.39 0.13 -1.94 -3.05 132.00 130.03 2k25 h PRO 27 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 2k25 h PRO 27 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2k25 h PRO 27 CO 0.29 0.41 -1.40 -1.13 -0.23 0.00 0.00 178.00 175.94 2k25 n SER 28 N -3.82 0.62 -4.55 1.44 3.41 -1.26 -2.83 113.62 106.63 2k25 n SER 28 Ca -0.01 -0.55 -0.39 0.00 -0.26 0.00 0.00 58.87 57.66 2k25 n SER 28 Cb 0.47 1.42 -0.11 0.00 -0.26 0.00 0.00 64.21 65.74 2k25 n SER 28 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2k25 s ASP 29 N -3.58 6.03 0.82 4.04 1.01 -1.15 -4.97 116.67 118.87 2k25 s ASP 29 Ca 0.01 -0.28 -0.11 0.00 0.71 0.00 0.00 52.55 52.88 2k25 s ASP 29 Cb 0.15 -2.13 0.11 0.00 1.01 0.00 0.00 42.92 42.06 2k25 s ASP 29 CO 0.85 -0.17 1.16 0.42 0.21 0.00 0.00 175.17 177.64 2k25 s THR 30 N 1.73 2.09 0.59 -1.27 -4.23 -1.26 -4.10 115.64 109.19 2k25 s THR 30 Ca 0.06 -0.12 0.29 0.00 -1.18 0.00 0.00 61.69 60.75 2k25 s THR 30 Cb -0.17 -2.97 0.36 0.00 1.34 0.00 0.00 72.50 71.07 2k25 s THR 30 CO 0.11 0.00 2.14 0.40 -0.54 0.00 0.00 174.62 176.73 2k25 h ILE 31 N -1.05 0.47 -0.33 2.99 5.03 -1.90 -2.37 117.51 120.35 2k25 h ILE 31 Ca -0.44 0.00 0.07 0.00 -0.12 0.00 0.00 64.86 64.37 2k25 h ILE 31 Cb 1.29 0.88 -0.08 0.00 -3.03 0.00 0.00 36.82 35.89 2k25 h ILE 31 CO 0.55 0.00 -0.19 -0.08 -0.68 0.00 0.00 178.15 177.75 2k25 h GLU 32 N 0.00 -0.14 0.00 2.37 4.81 -1.92 0.31 114.58 120.01 2k25 h GLU 32 Ca 0.06 0.01 -0.17 0.00 -0.13 0.00 0.00 59.36 59.13 2k25 h GLU 32 Cb 0.37 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 2k25 h GLU 32 CO -0.00 -0.09 -0.83 -0.91 -0.73 0.00 0.00 179.01 176.45 2k25 h ASN 33 N -0.15 0.00 -0.02 1.04 4.21 -1.81 -3.20 115.58 115.66 2k25 h ASN 33 Ca 0.17 0.00 -0.07 0.00 1.21 0.00 0.00 56.30 57.61 2k25 h ASN 33 Cb 0.40 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.59 2k25 h ASN 33 CO -0.42 0.83 -0.18 0.58 -1.29 0.00 0.00 177.43 176.95 2k25 h VAL 34 N 0.00 1.23 -0.83 2.81 2.07 -1.01 -2.66 116.25 117.85 2k25 h VAL 34 Ca -0.01 -1.03 0.20 0.00 0.82 0.00 0.00 66.70 66.69 2k25 h VAL 34 Cb 1.48 1.26 -0.05 0.00 -1.52 0.00 0.00 31.29 32.46 2k25 h VAL 34 CO 0.11 0.32 0.57 0.07 0.02 0.00 0.00 177.57 178.66 2k25 h LYS 35 N 0.33 0.26 -0.08 1.57 2.10 -0.42 0.31 116.57 120.65 2k25 h LYS 35 Ca 0.06 -0.02 -0.05 0.00 -2.00 0.00 0.00 60.65 58.64 2k25 h LYS 35 Cb 0.51 -0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 31.77 2k25 h LYS 35 CO 0.03 0.17 -0.20 0.00 -2.00 0.00 0.00 179.45 177.45 2k25 h ALA 36 N 1.62 1.51 0.03 0.07 0.00 -1.64 0.19 119.26 121.03 2k25 h ALA 36 Ca 0.42 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 2k25 h ALA 36 Cb 1.22 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2k25 h ALA 36 CO -0.11 0.35 -0.01 -0.22 0.00 0.00 0.00 179.25 179.26 2k25 h LYS 37 N 0.13 -0.04 -0.29 0.00 1.63 -0.53 -3.15 116.57 114.32 2k25 h LYS 37 Ca 0.02 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.76 2k25 h LYS 37 Cb 0.44 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.06 2k25 h LYS 37 CO 0.03 0.66 -0.12 0.97 -3.45 0.00 0.00 179.45 177.54 2k25 h ILE 38 N -0.84 1.23 0.00 2.00 -0.00 -1.36 -2.41 117.51 116.13 2k25 h ILE 38 Ca -0.00 -1.00 -0.02 0.00 -0.00 0.00 0.00 64.86 63.84 2k25 h ILE 38 Cb 0.72 1.13 -0.00 0.00 -0.00 0.00 0.00 36.82 38.67 2k25 h ILE 38 CO 0.01 0.33 -0.07 -0.61 -0.00 0.00 0.00 178.15 177.80 2k25 h GLN 39 N 0.46 0.00 0.00 2.19 -0.00 -0.71 -1.08 115.11 115.97 2k25 h GLN 39 Ca 0.09 0.00 -0.12 0.00 -0.00 0.00 0.00 58.65 58.61 2k25 h GLN 39 Cb 0.48 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 27.95 2k25 h GLN 39 CO 0.03 0.07 -0.58 -0.44 0.00 0.00 0.00 178.83 177.91 2k25 h ASP 40 N 0.00 0.00 0.19 -0.69 3.32 -1.38 -0.88 116.42 116.98 2k25 h ASP 40 Ca -0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2k25 h ASP 40 Cb 0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.68 2k25 h ASP 40 CO 0.01 0.58 -0.09 0.11 -1.72 0.00 0.00 179.24 178.13 2k25 h LYS 41 N 0.00 -0.25 0.00 3.56 1.79 -1.12 -3.42 116.57 117.13 2k25 h LYS 41 Ca -0.01 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 2k25 h LYS 41 Cb 1.27 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.98 2k25 h LYS 41 CO 0.08 0.08 -0.67 -0.85 -1.08 0.00 0.00 179.45 177.01 2k25 n GLU 42 N -4.94 1.17 0.00 3.15 0.28 -0.83 -4.22 120.64 115.25 2k25 n GLU 42 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.94 2k25 n GLU 42 Cb 0.22 -0.84 0.00 0.00 1.43 0.00 0.00 31.44 32.26 2k25 n GLU 42 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2k25 n GLY 43 N 2.56 1.11 3.74 -1.84 0.00 -0.33 -4.63 105.19 105.80 2k25 n GLY 43 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2k25 n GLY 43 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k25 s ILE 44 N -2.00 3.34 0.20 -0.61 -1.09 -1.26 -4.88 121.20 114.91 2k25 s ILE 44 Ca 0.00 1.13 -0.30 0.00 -2.23 0.00 0.00 60.65 59.25 2k25 s ILE 44 Cb 0.00 -3.72 -0.09 0.00 -1.58 0.00 0.00 42.46 37.07 2k25 s ILE 44 CO 0.00 0.18 1.30 -2.16 -1.23 0.00 0.00 174.94 173.03 2k25 s PRO 45 N -0.25 4.40 0.17 2.79 0.04 -1.26 -4.52 135.00 136.36 2k25 s PRO 45 Ca 0.55 2.05 -0.07 0.00 0.04 0.00 0.00 61.00 63.56 2k25 s PRO 45 Cb -0.35 -3.19 0.05 0.00 0.04 0.00 0.00 34.50 31.05 2k25 s PRO 45 CO 0.38 -0.23 1.51 -1.00 0.04 0.00 0.00 177.00 177.70 2k25 h PRO 46 N 5.25 0.80 -0.89 0.56 0.13 -1.92 -1.75 132.00 134.18 2k25 h PRO 46 Ca -0.45 -0.42 0.04 0.00 -0.87 0.00 0.00 66.00 64.29 2k25 h PRO 46 Cb 1.21 0.02 -0.05 0.00 0.13 0.00 0.00 31.00 32.31 2k25 h PRO 46 CO 0.76 1.06 0.59 -0.44 -0.23 0.00 0.00 178.00 179.74 2k25 h ASP 47 N 0.65 0.96 -0.55 1.44 3.32 -1.99 -0.82 116.42 119.43 2k25 h ASP 47 Ca 0.05 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.09 2k25 h ASP 47 Cb 0.97 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.30 2k25 h ASP 47 CO 0.09 0.66 0.00 0.00 -1.72 0.00 0.00 179.24 178.27 2k25 n GLN 48 N -4.45 2.44 -3.41 3.56 3.00 -1.18 -4.90 117.38 112.44 2k25 n GLN 48 Ca 0.12 -2.21 -0.37 0.00 -0.01 0.00 0.00 57.00 54.52 2k25 n GLN 48 Cb 0.11 -1.49 -0.06 0.00 0.00 0.00 0.00 30.24 28.79 2k25 n GLN 48 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.06 175.92 2k25 s GLN 49 N -1.27 4.30 -0.08 -1.09 0.74 -0.31 -4.72 119.66 117.23 2k25 s GLN 49 Ca 0.41 0.30 -0.17 0.00 0.05 0.00 0.00 55.36 55.95 2k25 s GLN 49 Cb 0.22 -3.44 -0.05 0.00 1.10 0.00 0.00 33.01 30.85 2k25 s GLN 49 CO 0.30 0.18 0.44 -0.98 -0.55 0.00 0.00 175.29 174.68 2k25 s ARG 50 N 0.58 4.20 -0.29 1.67 1.70 -1.26 -4.94 118.95 120.61 2k25 s ARG 50 Ca 0.22 0.42 -0.16 0.00 -0.47 0.00 0.00 55.73 55.74 2k25 s ARG 50 Cb -0.14 -3.36 -0.03 0.00 -0.57 0.00 0.00 34.95 30.85 2k25 s ARG 50 CO 0.07 0.35 0.42 -0.51 -1.08 0.00 0.00 175.30 174.56 2k25 s LEU 51 N 0.00 4.12 -0.24 -1.89 1.02 -1.26 -3.92 118.68 116.52 2k25 s LEU 51 Ca 0.25 0.24 -0.02 0.00 0.02 0.00 0.00 54.13 54.62 2k25 s LEU 51 Cb -0.16 -2.49 0.02 0.00 0.02 0.00 0.00 46.19 43.58 2k25 s LEU 51 CO 0.11 -0.26 -0.07 -0.63 0.02 0.00 0.00 176.35 175.52 2k25 s ILE 52 N 2.16 2.89 -0.13 -0.59 1.09 -1.16 -2.96 121.20 122.51 2k25 s ILE 52 Ca 0.16 -0.92 0.01 0.00 -1.10 0.00 0.00 60.65 58.80 2k25 s ILE 52 Cb -0.16 -2.42 0.02 0.00 -1.06 0.00 0.00 42.46 38.84 2k25 s ILE 52 CO 0.10 0.27 -0.13 0.12 -0.10 0.00 0.00 174.94 175.20 2k25 s PHE 53 N 1.35 1.95 -1.28 3.97 5.36 0.65 -2.84 117.98 127.14 2k25 s PHE 53 Ca 0.02 -1.02 -0.02 0.00 -0.96 0.00 0.00 56.93 54.95 2k25 s PHE 53 Cb -0.16 -1.46 0.01 0.00 -0.34 0.00 0.00 43.02 41.08 2k25 s PHE 53 CO -0.05 -0.57 0.16 0.00 -1.46 0.00 0.00 175.22 173.29 2k25 n ALA 54 N 4.62 -0.82 -1.37 11.12 0.00 -1.26 -0.08 120.51 132.72 2k25 n ALA 54 Ca -0.17 0.13 -0.03 0.00 0.00 0.00 0.00 53.44 53.38 2k25 n ALA 54 Cb 0.50 -2.13 -0.01 0.00 0.00 0.00 0.00 19.45 17.81 2k25 n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k25 n GLY 55 N -0.99 0.49 2.95 0.00 0.00 -1.26 -5.04 105.19 101.35 2k25 n GLY 55 Ca -0.14 -0.90 -0.19 0.00 0.00 0.00 0.00 46.02 44.80 2k25 n GLY 55 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k25 s LYS 56 N -2.81 0.72 0.23 1.61 2.47 0.89 -5.14 119.74 117.72 2k25 s LYS 56 Ca 0.00 -0.20 -0.15 0.00 -1.56 0.00 0.00 55.97 54.06 2k25 s LYS 56 Cb 0.00 -0.70 -0.08 0.00 -1.46 0.00 0.00 37.83 35.59 2k25 s LYS 56 CO 0.00 0.06 0.64 -1.14 0.16 0.00 0.00 175.35 175.07 2k25 s GLN 57 N 0.29 4.01 0.17 4.03 -0.44 -1.26 -0.25 119.66 126.21 2k25 s GLN 57 Ca -0.04 0.58 0.03 0.00 -2.50 0.00 0.00 55.36 53.44 2k25 s GLN 57 Cb -0.08 -2.72 -0.01 0.00 -1.64 0.00 0.00 33.01 28.56 2k25 s GLN 57 CO 0.00 0.33 0.12 1.47 0.50 0.00 0.00 175.29 177.72 2k25 n LEU 58 N 0.25 0.00 0.00 3.68 -0.00 -1.15 -4.97 117.00 114.80 2k25 n LEU 58 Ca -0.01 -1.57 0.00 0.00 -0.00 0.00 0.00 56.01 54.43 2k25 n LEU 58 Cb 0.52 0.76 0.00 0.00 -0.00 0.00 0.00 43.42 44.70 2k25 n LEU 58 CO 0.43 -0.26 0.00 -0.62 -0.00 0.00 0.00 177.39 176.94 2k25 n GLU 59 N -0.35 1.06 -3.82 1.47 1.02 -1.26 -4.62 120.64 114.14 2k25 n GLU 59 Ca 0.02 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.07 2k25 n GLU 59 Cb 0.30 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.66 2k25 n GLU 59 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2k25 s ASP 60 N -1.00 -0.06 0.00 1.62 1.11 -1.26 -4.94 116.67 112.14 2k25 s ASP 60 Ca 0.00 -0.62 0.00 0.00 0.18 0.00 0.00 52.55 52.11 2k25 s ASP 60 Cb 0.00 0.45 0.00 0.00 1.07 0.00 0.00 42.92 44.44 2k25 s ASP 60 CO 0.00 -0.88 0.00 0.61 1.18 0.00 0.00 175.17 176.08 2k25 n GLY 61 N -0.20 3.31 3.92 0.21 0.00 -1.26 -5.08 105.19 106.09 2k25 n GLY 61 Ca -0.12 -1.04 -0.26 0.00 0.00 0.00 0.00 46.02 44.61 2k25 n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k25 s ARG 62 N 0.00 2.93 0.61 1.61 0.52 -1.26 -4.89 118.95 118.47 2k25 s ARG 62 Ca 0.00 -0.11 -0.12 0.00 -0.52 0.00 0.00 55.73 54.98 2k25 s ARG 62 Cb 0.00 -2.33 -0.04 0.00 0.52 0.00 0.00 34.95 33.11 2k25 s ARG 62 CO 0.00 -0.63 1.03 0.95 0.02 0.00 0.00 175.30 176.67 2k25 s THR 63 N -2.91 4.50 0.14 0.02 -4.23 -1.26 -4.72 115.64 107.18 2k25 s THR 63 Ca 0.53 0.90 -0.15 0.00 -1.18 0.00 0.00 61.69 61.80 2k25 s THR 63 Cb -0.10 -3.72 0.02 0.00 1.34 0.00 0.00 72.50 70.03 2k25 s THR 63 CO 0.44 -0.97 1.69 -0.07 -0.54 0.00 0.00 174.62 175.17 2k25 h LEU 64 N -0.11 0.64 -1.09 4.79 3.38 -1.78 0.83 115.31 121.97 2k25 h LEU 64 Ca -0.45 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.31 2k25 h LEU 64 Cb 1.19 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.75 2k25 h LEU 64 CO 0.61 0.65 0.27 -1.28 0.09 0.00 0.00 178.44 178.77 2k25 h SER 65 N 0.60 0.83 0.49 -0.43 0.87 -1.75 0.18 113.55 114.34 2k25 h SER 65 Ca 0.15 -0.10 -0.19 0.00 -1.23 0.00 0.00 61.79 60.42 2k25 h SER 65 Cb 0.21 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 2k25 h SER 65 CO -0.01 0.73 -0.83 -0.33 -0.53 0.00 0.00 176.83 175.86 2k25 h GLU 66 N 0.90 0.25 -0.00 2.24 4.39 -1.76 -3.04 114.58 117.54 2k25 h GLU 66 Ca 0.22 -0.24 0.00 0.00 0.34 0.00 0.00 59.36 59.67 2k25 h GLU 66 Cb 0.15 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 2k25 h GLU 66 CO -0.02 0.95 -0.16 0.98 -1.16 0.00 0.00 179.01 179.59 2k25 n TYR 67 N -3.72 0.00 -1.26 4.33 4.19 0.26 -4.90 117.16 116.06 2k25 n TYR 67 Ca -0.04 0.00 -0.09 0.00 3.31 0.00 0.00 57.90 61.08 2k25 n TYR 67 Cb 0.77 -0.25 -0.04 0.00 0.49 0.00 0.00 39.34 40.31 2k25 n TYR 67 CO 0.00 0.00 0.00 0.09 0.91 0.00 0.00 176.86 177.86 2k25 n ASN 68 N -1.14 -5.12 -4.94 2.98 5.03 0.55 -4.97 115.26 107.65 2k25 n ASN 68 Ca 0.11 0.22 -0.24 0.00 0.87 0.00 0.00 54.58 55.54 2k25 n ASN 68 Cb 0.30 -3.41 -0.01 0.00 -1.02 0.00 0.00 39.78 35.65 2k25 n ASN 68 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 2k25 s ILE 69 N -1.99 4.98 0.00 2.41 -4.36 -0.64 -5.01 121.20 116.59 2k25 s ILE 69 Ca 0.00 -0.37 0.00 0.00 -0.26 0.00 0.00 60.65 60.02 2k25 s ILE 69 Cb 0.00 -3.83 0.00 0.00 1.25 0.00 0.00 42.46 39.88 2k25 s ILE 69 CO 0.00 -0.58 0.00 0.00 0.24 0.00 0.00 174.94 174.60 2k25 n GLN 70 N -1.88 0.00 -2.18 0.37 6.02 -1.26 -4.50 117.38 113.95 2k25 n GLN 70 Ca -0.03 0.02 -0.12 0.00 -0.01 0.00 0.00 57.00 56.86 2k25 n GLN 70 Cb 0.56 -0.48 -0.02 0.00 1.02 0.00 0.00 30.24 31.32 2k25 n GLN 70 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 2k25 n LYS 71 N -0.65 -2.02 -0.64 -1.09 4.81 -1.26 -4.78 118.16 112.53 2k25 n LYS 71 Ca 0.00 0.60 0.06 0.00 -0.87 0.00 0.00 58.31 58.09 2k25 n LYS 71 Cb 0.00 -5.10 0.12 0.00 0.02 0.00 0.00 35.03 30.07 2k25 n LYS 71 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 2k25 n GLU 72 N -2.54 0.93 0.00 1.64 0.28 -1.26 -4.64 120.64 115.04 2k25 n GLU 72 Ca -0.13 -2.50 0.00 0.00 -0.16 0.00 0.00 57.16 54.37 2k25 n GLU 72 Cb 0.55 -1.07 0.00 0.00 1.43 0.00 0.00 31.44 32.35 2k25 n GLU 72 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2k25 n SER 73 N -0.69 0.00 -3.72 -1.84 7.64 -1.26 -5.09 113.62 108.66 2k25 n SER 73 Ca 0.13 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.73 2k25 n SER 73 Cb 0.78 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.82 2k25 n SER 73 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2k25 s THR 74 N -0.22 0.50 -0.04 0.44 2.01 -1.26 -4.48 115.64 112.60 2k25 s THR 74 Ca 0.00 -0.66 0.02 0.00 0.31 0.00 0.00 61.69 61.36 2k25 s THR 74 Cb 0.00 -1.09 0.01 0.00 0.01 0.00 0.00 72.50 71.43 2k25 s THR 74 CO 0.00 -0.30 -0.08 -0.76 -0.69 0.00 0.00 174.62 172.78 2k25 s LEU 75 N 1.86 1.65 -0.30 4.42 2.01 -1.10 -4.57 118.68 122.64 2k25 s LEU 75 Ca 0.01 -0.19 0.02 0.00 0.01 0.00 0.00 54.13 53.98 2k25 s LEU 75 Cb -0.17 -0.57 0.08 0.00 0.01 0.00 0.00 46.19 45.54 2k25 s LEU 75 CO -0.12 0.03 -0.02 -1.00 1.01 0.00 0.00 176.35 176.25 2k25 s HIS 76 N 0.45 3.46 -0.32 0.29 3.76 -1.13 -3.47 115.29 118.33 2k25 s HIS 76 Ca -0.07 -2.52 -0.00 0.00 -0.15 0.00 0.00 55.06 52.31 2k25 s HIS 76 Cb -0.11 -2.37 0.10 0.00 1.11 0.00 0.00 32.58 31.31 2k25 s HIS 76 CO 0.01 -0.90 0.10 -0.48 -0.85 0.00 0.00 174.74 172.62 2k25 s LEU 77 N 1.05 2.37 -0.05 0.89 2.34 -1.26 -2.98 118.68 121.04 2k25 s LEU 77 Ca -0.01 -1.72 -0.09 0.00 0.06 0.00 0.00 54.13 52.37 2k25 s LEU 77 Cb -0.20 -0.91 0.02 0.00 -0.56 0.00 0.00 46.19 44.54 2k25 s LEU 77 CO -0.06 -0.40 0.22 -0.69 -1.06 0.00 0.00 176.35 174.36 2k25 s VAL 78 N 1.51 0.03 -0.27 1.48 1.01 -1.25 -4.83 120.40 118.08 2k25 s VAL 78 Ca 0.10 -0.26 -0.01 0.00 0.00 0.00 0.00 61.98 61.81 2k25 s VAL 78 Cb -0.18 -0.40 0.04 0.00 0.00 0.00 0.00 36.38 35.84 2k25 s VAL 78 CO -0.23 -0.14 -0.04 -0.22 0.00 0.00 0.00 175.10 174.46 2k25 s LEU 79 N -0.51 3.51 -0.74 3.92 2.96 -1.26 -4.63 118.68 121.93 2k25 s LEU 79 Ca -0.06 -1.11 -0.15 0.00 -0.22 0.00 0.00 54.13 52.59 2k25 s LEU 79 Cb -0.04 -1.67 0.02 0.00 0.50 0.00 0.00 46.19 45.01 2k25 s LEU 79 CO 0.01 -0.19 0.45 -2.11 -1.32 0.00 0.00 176.35 173.19 2k25 n ARG 80 N 4.62 -0.69 -0.75 1.98 1.85 -1.26 -4.82 116.66 117.59 2k25 n ARG 80 Ca -0.15 0.11 -0.34 0.00 -1.00 0.00 0.00 57.85 56.48 2k25 n ARG 80 Cb 0.45 -1.43 0.14 0.00 -1.05 0.00 0.00 32.46 30.57 2k25 n ARG 80 CO 0.00 0.00 0.00 1.47 -0.01 0.00 0.00 177.63 179.09 2k25 n LEU 81 N -3.12 -2.30 0.00 2.89 -0.00 -1.26 -5.00 117.00 108.21 2k25 n LEU 81 Ca -0.13 -0.04 0.00 0.00 -0.00 0.00 0.00 56.01 55.84 2k25 n LEU 81 Cb 0.42 -0.91 0.00 0.00 -0.00 0.00 0.00 43.42 42.93 2k25 n LEU 81 CO 0.49 -3.17 0.00 0.54 -0.00 0.00 0.00 177.39 175.24 2k25 n ARG 82 N -1.13 0.00 0.00 1.47 5.12 -1.26 -5.02 116.66 115.83 2k25 n ARG 82 Ca 0.01 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.93 2k25 n ARG 82 Cb 0.63 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.93 2k25 n ARG 82 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2k25 n GLY 83 N 1.71 2.76 3.90 -0.13 0.00 -1.26 -5.14 105.19 107.03 2k25 n GLY 83 Ca 0.00 -0.05 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 2k25 n GLY 83 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2k25 s TYR 84 N 0.42 1.75 0.24 1.61 -0.85 -1.26 -4.07 117.35 115.19 2k25 s TYR 84 Ca 0.00 -0.80 0.03 0.00 -0.52 0.00 0.00 57.07 55.78 2k25 s TYR 84 Cb 0.00 -1.95 -0.01 0.00 0.38 0.00 0.00 41.96 40.38 2k25 s TYR 84 CO 0.00 -0.44 0.12 0.00 -1.52 0.00 0.00 175.55 173.71 2k25 n ALA 85 N -1.74 0.39 -1.42 9.51 0.00 -1.26 -4.96 120.51 121.02 2k25 n ALA 85 Ca -0.01 -1.28 -0.29 0.00 0.00 0.00 0.00 53.44 51.87 2k25 n ALA 85 Cb 0.64 0.91 0.14 0.00 0.00 0.00 0.00 19.45 21.15 2k25 n ALA 85 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2k25 s ASP 86 N -2.54 3.30 -0.23 0.00 1.47 -1.26 -4.99 116.67 112.42 2k25 s ASP 86 Ca 0.16 1.05 0.10 0.00 1.18 0.00 0.00 52.55 55.05 2k25 s ASP 86 Cb 0.01 -1.67 0.44 0.00 -0.34 0.00 0.00 42.92 41.36 2k25 s ASP 86 CO 0.12 -2.69 1.26 0.18 0.68 0.00 0.00 175.17 174.72 2k25 n LEU 87 N -3.87 3.02 0.06 2.11 7.99 -1.26 -4.79 117.00 120.26 2k25 n LEU 87 Ca 0.06 -3.92 -0.03 0.00 -0.01 0.00 0.00 56.01 52.11 2k25 n LEU 87 Cb 0.58 -0.54 -0.02 0.00 -0.11 0.00 0.00 43.42 43.34 2k25 n LEU 87 CO 0.57 1.41 0.14 -0.09 -1.51 0.00 0.00 177.39 177.91 2k25 h ARG 88 N 1.04 -0.20 -5.98 3.23 1.12 -1.99 -3.47 114.38 108.12 2k25 h ARG 88 Ca 0.05 0.01 -0.55 0.00 -1.11 0.00 0.00 59.98 58.39 2k25 h ARG 88 Cb 1.12 0.05 -0.24 0.00 -0.01 0.00 0.00 29.97 30.89 2k25 h ARG 88 CO 0.09 -0.13 -0.83 -1.21 -3.11 0.00 0.00 179.97 174.78 2k25 s GLU 89 N -2.21 1.21 0.28 0.20 2.02 -1.26 -5.15 118.70 113.78 2k25 s GLU 89 Ca -0.03 -0.99 0.11 0.00 0.02 0.00 0.00 54.97 54.08 2k25 s GLU 89 Cb 0.00 -1.36 -0.05 0.00 0.10 0.00 0.00 34.13 32.82 2k25 s GLU 89 CO 0.09 0.33 -0.15 0.16 0.02 0.00 0.00 175.26 175.72 2k25 s ASP 90 N -1.45 3.84 0.51 -0.19 1.47 -1.26 -5.03 116.67 114.57 2k25 s ASP 90 Ca 0.06 -0.93 0.33 0.00 1.18 0.00 0.00 52.55 53.19 2k25 s ASP 90 Cb -0.09 -0.44 1.36 0.00 -0.34 0.00 0.00 42.92 43.40 2k25 s ASP 90 CO 0.03 0.03 1.96 1.55 0.68 0.00 0.00 175.17 179.42 2k25 h PRO 91 N 2.18 0.00 -2.56 2.11 0.13 -1.97 -3.43 132.00 128.46 2k25 h PRO 91 Ca -0.41 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.62 2k25 h PRO 91 Cb 1.26 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.13 2k25 h PRO 91 CO 0.60 0.00 -0.25 0.16 -0.23 0.00 0.00 178.00 178.28 2k25 s ASP 92 N -5.46 -0.57 0.34 1.44 -4.77 -1.26 -4.98 116.67 101.41 2k25 s ASP 92 Ca 0.01 0.97 -0.27 0.00 -3.30 0.00 0.00 52.55 49.97 2k25 s ASP 92 Cb 0.09 0.86 -0.13 0.00 -1.09 0.00 0.00 42.92 42.65 2k25 s ASP 92 CO 0.51 -0.20 1.08 -2.11 0.70 0.00 0.00 175.17 175.16 2k25 n ARG 93 N 4.22 1.55 -2.12 2.11 1.85 -1.26 -4.89 116.66 118.12 2k25 n ARG 93 Ca -0.23 0.55 -0.41 0.00 -1.00 0.00 0.00 57.85 56.76 2k25 n ARG 93 Cb 0.56 -2.03 -0.03 0.00 -1.05 0.00 0.00 32.46 29.92 2k25 n ARG 93 CO 0.00 0.00 0.00 1.14 -0.01 0.00 0.00 177.63 178.76 2k25 s GLN 94 N -1.77 4.33 -0.49 2.89 -2.07 -1.26 -4.99 119.66 116.31 2k25 s GLN 94 Ca 0.59 2.17 0.04 0.00 -1.82 0.00 0.00 55.36 56.34 2k25 s GLN 94 Cb -0.62 -3.16 0.18 0.00 -1.09 0.00 0.00 33.01 28.31 2k25 s GLN 94 CO 0.60 -0.33 0.40 -0.25 -1.32 0.00 0.00 175.29 174.38 2k25 n ASP 95 N 2.55 0.48 -4.85 12.60 9.92 -1.26 -5.07 116.55 130.92 2k25 n ASP 95 Ca 0.07 -2.61 -0.33 0.00 -0.53 0.00 0.00 54.79 51.38 2k25 n ASP 95 Cb 0.42 -0.61 -0.06 0.00 -0.64 0.00 0.00 41.12 40.23 2k25 n ASP 95 CO 0.00 0.00 0.00 -2.28 0.13 0.00 0.00 177.20 175.05 2k25 s HIS 96 N -0.42 3.43 -0.31 1.24 2.46 -1.26 -4.37 115.29 116.05 2k25 s HIS 96 Ca 0.31 1.19 -0.02 0.00 0.47 0.00 0.00 55.06 57.01 2k25 s HIS 96 Cb 0.03 -2.50 0.29 0.00 -0.13 0.00 0.00 32.58 30.26 2k25 s HIS 96 CO -0.18 0.16 1.31 -2.39 -2.47 0.00 0.00 174.74 171.17 2k25 n HIS 97 N -0.14 -0.16 -0.60 3.88 1.44 -1.26 -5.06 115.22 113.33 2k25 n HIS 97 Ca 0.02 -0.56 -0.06 0.00 -2.01 0.00 0.00 57.72 55.11 2k25 n HIS 97 Cb 0.53 1.05 0.05 0.00 0.12 0.00 0.00 29.99 31.73 2k25 n HIS 97 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 2k25 n PRO 98 N 1.33 -1.44 0.00 -1.40 -0.04 -1.26 -5.07 135.00 127.11 2k25 n PRO 98 Ca -0.01 -0.34 0.00 0.00 -0.04 0.00 0.00 63.50 63.11 2k25 n PRO 98 Cb 0.72 -0.32 0.00 0.00 -0.04 0.00 0.00 33.50 33.87 2k25 n PRO 98 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k25 n GLY 99 N 1.04 -0.54 3.59 0.55 0.00 -1.26 -5.19 105.19 103.38 2k25 n GLY 99 Ca 0.03 0.50 -0.04 0.00 0.00 0.00 0.00 46.02 46.50 2k25 n GLY 99 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k25 s SER 100 N 0.00 -0.18 0.00 1.61 1.04 -1.26 -5.19 113.70 109.72 2k25 s SER 100 Ca 0.00 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.37 2k25 s SER 100 Cb 0.00 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.36 2k25 s SER 100 CO 0.00 -0.40 0.00 0.61 0.98 0.00 0.00 173.24 174.43 2k25 n GLY 101 N -0.23 2.38 2.94 7.32 0.00 -1.26 -5.19 105.19 111.15 2k25 n GLY 101 Ca -0.04 -0.99 -0.02 0.00 0.00 0.00 0.00 46.02 44.96 2k25 n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k25 n ALA 102 N -3.00 -2.03 0.00 4.61 0.00 -1.26 -5.38 120.51 113.45 2k25 n ALA 102 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.65 2k25 n ALA 102 Cb 0.00 0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.90 2k25 n ALA 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50