#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 -4.37 -4.76 1.61 7.64 -1.26 -4.89 113.62 107.59 2k25 n SER 2 Ca 0.00 -0.60 -0.41 0.00 1.01 0.00 0.00 58.87 58.87 2k25 n SER 2 Cb 0.00 -4.96 -0.01 0.00 -1.01 0.00 0.00 64.21 58.23 2k25 n SER 2 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 2k25 s LEU 3 N -6.92 4.37 0.21 -3.43 2.34 -1.26 -5.02 118.68 108.97 2k25 s LEU 3 Ca 0.34 2.85 0.09 0.00 0.06 0.00 0.00 54.13 57.47 2k25 s LEU 3 Cb -0.15 -3.65 -0.04 0.00 -0.56 0.00 0.00 46.19 41.79 2k25 s LEU 3 CO 0.74 -0.74 -0.09 0.68 -1.06 0.00 0.00 176.35 175.87 2k25 s VAL 4 N -0.71 3.13 0.47 1.48 -7.23 -1.26 -5.12 120.40 111.16 2k25 s VAL 4 Ca 0.55 -1.80 -0.22 0.00 -1.81 0.00 0.00 61.98 58.69 2k25 s VAL 4 Cb -0.44 -2.58 -0.07 0.00 0.56 0.00 0.00 36.38 33.85 2k25 s VAL 4 CO 0.54 -0.19 1.16 -2.16 -0.31 0.00 0.00 175.10 174.13 2k25 s PRO 5 N -3.06 3.70 -0.01 4.82 0.04 -1.26 -5.01 135.00 134.22 2k25 s PRO 5 Ca 0.26 1.75 -0.00 0.00 0.04 0.00 0.00 61.00 63.05 2k25 s PRO 5 Cb -0.08 -2.35 0.01 0.00 0.04 0.00 0.00 34.50 32.13 2k25 s PRO 5 CO 0.16 -0.59 0.03 1.03 0.04 0.00 0.00 177.00 177.66 2k25 s ARG 6 N -2.79 -0.00 0.00 4.56 1.81 -1.26 -5.13 118.95 116.14 2k25 s ARG 6 Ca 0.65 0.10 0.00 0.00 -1.72 0.00 0.00 55.73 54.76 2k25 s ARG 6 Cb -0.28 -0.10 0.00 0.00 -0.45 0.00 0.00 34.95 34.12 2k25 s ARG 6 CO 0.33 -0.07 0.00 0.41 -0.68 0.00 0.00 175.30 175.29 2k25 n GLY 7 N 3.55 3.58 0.01 -3.53 0.00 -1.26 -4.94 105.19 102.60 2k25 n GLY 7 Ca -0.19 -1.79 0.10 0.00 0.00 0.00 0.00 46.02 44.14 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 0.38 -4.68 1.61 7.64 -1.26 -4.92 113.62 112.38 2k25 n SER 8 Ca 0.00 -0.10 -0.35 0.00 1.01 0.00 0.00 58.87 59.44 2k25 n SER 8 Cb 0.00 1.84 -0.09 0.00 -1.01 0.00 0.00 64.21 64.95 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 -3.37 3.70 0.04 1.43 -1.94 -1.26 -5.09 119.30 112.82 2k25 s MET 9 Ca -0.06 -0.32 0.05 0.00 -1.71 0.00 0.00 55.69 53.65 2k25 s MET 9 Cb 0.13 -3.13 -0.02 0.00 2.01 0.00 0.00 34.83 33.82 2k25 s MET 9 CO 0.85 0.44 -0.15 -0.65 -0.01 0.00 0.00 175.02 175.50 2k25 s GLN 10 N -0.10 0.98 0.28 2.03 -0.21 -1.25 -4.33 119.66 117.06 2k25 s GLN 10 Ca 0.07 -0.78 -0.06 0.00 0.02 0.00 0.00 55.36 54.61 2k25 s GLN 10 Cb -0.12 -1.00 -0.01 0.00 1.00 0.00 0.00 33.01 32.88 2k25 s GLN 10 CO 0.01 0.25 0.41 -1.50 -2.12 0.00 0.00 175.29 172.34 2k25 s ILE 11 N -0.85 0.00 -0.24 1.08 2.07 -1.00 -4.87 121.20 117.40 2k25 s ILE 11 Ca 0.02 -1.61 -0.08 0.00 -1.41 0.00 0.00 60.65 57.58 2k25 s ILE 11 Cb -0.08 -2.45 -0.03 0.00 0.13 0.00 0.00 42.46 40.03 2k25 s ILE 11 CO 0.01 0.00 0.08 -0.36 -1.91 0.00 0.00 174.94 172.76 2k25 s PHE 12 N -3.62 3.13 -0.02 3.50 0.40 -1.26 -4.10 117.98 116.01 2k25 s PHE 12 Ca 0.29 -0.25 0.02 0.00 -0.60 0.00 0.00 56.93 56.39 2k25 s PHE 12 Cb 0.01 -2.21 -0.00 0.00 0.51 0.00 0.00 43.02 41.33 2k25 s PHE 12 CO 0.15 -0.22 -0.09 0.08 0.70 0.00 0.00 175.22 175.84 2k25 s VAL 13 N 1.33 0.71 -0.03 -0.44 1.01 -1.25 -3.15 120.40 118.58 2k25 s VAL 13 Ca 0.05 -0.35 0.07 0.00 0.00 0.00 0.00 61.98 61.75 2k25 s VAL 13 Cb -0.15 -0.62 -0.02 0.00 0.00 0.00 0.00 36.38 35.59 2k25 s VAL 13 CO 0.04 0.22 -0.24 -0.54 0.00 0.00 0.00 175.10 174.57 2k25 s LYS 14 N 0.04 2.27 0.37 2.72 -0.14 -1.26 -3.38 119.74 120.35 2k25 s LYS 14 Ca -0.00 -0.90 0.03 0.00 -1.36 0.00 0.00 55.97 53.74 2k25 s LYS 14 Cb -0.06 -2.11 0.07 0.00 -1.68 0.00 0.00 37.83 34.05 2k25 s LYS 14 CO 0.00 0.52 0.51 0.25 -0.76 0.00 0.00 175.35 175.87 2k25 n THR 15 N 2.56 0.00 0.14 2.17 -2.24 -0.80 -4.50 114.28 111.61 2k25 n THR 15 Ca -0.16 -1.05 0.01 0.00 -2.27 0.00 0.00 64.05 60.57 2k25 n THR 15 Cb 0.51 -0.86 0.15 0.00 -2.10 0.00 0.00 70.33 68.03 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 0.00 0.03 3.22 4.07 -1.90 -3.24 115.31 117.49 2k25 h LEU 16 Ca -0.17 0.00 -0.31 0.00 0.08 0.00 0.00 57.88 57.48 2k25 h LEU 16 Cb 0.72 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.42 2k25 h LEU 16 CO 0.22 0.58 -1.78 1.07 -1.08 0.00 0.00 178.44 177.45 2k25 n THR 17 N -3.52 1.65 0.00 0.22 5.66 -1.26 -4.98 114.28 112.05 2k25 n THR 17 Ca -0.00 -0.76 0.00 0.00 -3.05 0.00 0.00 64.05 60.24 2k25 n THR 17 Cb 0.66 -1.21 0.00 0.00 -1.55 0.00 0.00 70.33 68.23 2k25 n THR 17 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2k25 n GLY 18 N 1.66 0.53 3.74 1.09 0.00 -1.23 -5.13 105.19 105.86 2k25 n GLY 18 Ca -0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 2k25 n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k25 s LYS 19 N 0.00 2.75 -0.07 1.61 2.47 -1.26 -4.64 119.74 120.60 2k25 s LYS 19 Ca 0.00 1.91 0.04 0.00 -1.56 0.00 0.00 55.97 56.36 2k25 s LYS 19 Cb 0.00 -1.89 -0.02 0.00 -1.46 0.00 0.00 37.83 34.46 2k25 s LYS 19 CO 0.00 -1.40 -0.18 0.95 0.16 0.00 0.00 175.35 174.88 2k25 s THR 20 N -1.55 2.70 -0.02 3.43 -4.23 -1.26 -1.90 115.64 112.81 2k25 s THR 20 Ca 0.79 -0.83 0.02 0.00 -1.18 0.00 0.00 61.69 60.49 2k25 s THR 20 Cb -0.33 -2.05 0.00 0.00 1.34 0.00 0.00 72.50 71.46 2k25 s THR 20 CO 0.36 0.57 -0.09 0.27 -0.54 0.00 0.00 174.62 175.20 2k25 s ILE 21 N -0.31 0.73 -0.18 2.99 -0.00 -1.22 -5.03 121.20 118.18 2k25 s ILE 21 Ca 0.02 -0.34 -0.29 0.00 -0.00 0.00 0.00 60.65 60.03 2k25 s ILE 21 Cb -0.13 -0.65 -0.00 0.00 -0.00 0.00 0.00 42.46 41.68 2k25 s ILE 21 CO 0.03 0.23 1.07 -0.89 -0.00 0.00 0.00 174.94 175.38 2k25 s THR 22 N 0.13 4.62 0.23 8.37 2.01 -1.26 -3.77 115.64 125.97 2k25 s THR 22 Ca -0.02 1.94 0.08 0.00 0.31 0.00 0.00 61.69 64.00 2k25 s THR 22 Cb -0.07 -4.25 -0.04 0.00 0.01 0.00 0.00 72.50 68.15 2k25 s THR 22 CO 0.00 -0.12 0.05 -0.76 -0.69 0.00 0.00 174.62 173.10 2k25 s LEU 23 N 2.89 3.40 0.03 4.42 2.01 -1.26 -4.20 118.68 125.98 2k25 s LEU 23 Ca 0.47 -0.45 -0.03 0.00 0.01 0.00 0.00 54.13 54.14 2k25 s LEU 23 Cb -0.17 -1.97 -0.04 0.00 0.01 0.00 0.00 46.19 44.01 2k25 s LEU 23 CO 0.11 0.03 0.23 -0.70 1.01 0.00 0.00 176.35 177.02 2k25 s GLU 24 N -3.44 3.48 0.09 1.70 2.12 -1.26 -2.36 118.70 119.03 2k25 s GLU 24 Ca 0.30 -0.29 0.07 0.00 0.36 0.00 0.00 54.97 55.41 2k25 s GLU 24 Cb -0.08 -3.05 -0.03 0.00 0.26 0.00 0.00 34.13 31.23 2k25 s GLU 24 CO 0.21 0.63 -0.19 0.08 -0.54 0.00 0.00 175.26 175.45 2k25 s VAL 25 N -1.42 1.50 0.00 3.70 1.01 -1.26 -4.93 120.40 119.00 2k25 s VAL 25 Ca 0.31 -1.44 0.00 0.00 0.00 0.00 0.00 61.98 60.86 2k25 s VAL 25 Cb -0.13 -1.38 0.00 0.00 0.00 0.00 0.00 36.38 34.87 2k25 s VAL 25 CO 0.22 -0.10 0.00 1.21 0.00 0.00 0.00 175.10 176.43 2k25 n GLU 26 N 1.20 0.00 0.12 2.72 4.07 -1.26 -4.91 120.64 122.58 2k25 n GLU 26 Ca -0.20 0.00 0.11 0.00 -0.06 0.00 0.00 57.16 57.01 2k25 n GLU 26 Cb 0.54 0.00 0.47 0.00 -0.06 0.00 0.00 31.44 32.39 2k25 n GLU 26 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 2k25 n PRO 27 N 0.00 0.17 -0.00 5.31 -0.04 -1.26 -2.45 135.00 136.73 2k25 n PRO 27 Ca 0.00 0.41 0.05 0.00 -0.04 0.00 0.00 63.50 63.92 2k25 n PRO 27 Cb 0.00 -1.84 -0.07 0.00 -0.04 0.00 0.00 33.50 31.55 2k25 n PRO 27 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2k25 n SER 28 N -2.16 1.10 -4.63 3.54 3.41 -1.26 -3.17 113.62 110.45 2k25 n SER 28 Ca 0.02 -0.52 -0.35 0.00 -0.26 0.00 0.00 58.87 57.76 2k25 n SER 28 Cb 0.22 1.16 -0.10 0.00 -0.26 0.00 0.00 64.21 65.23 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 -2.43 5.45 0.48 4.04 1.01 -1.03 -4.97 116.67 119.22 2k25 s ASP 29 Ca 0.02 0.08 0.07 0.00 0.71 0.00 0.00 52.55 53.42 2k25 s ASP 29 Cb 0.08 -1.85 0.03 0.00 1.01 0.00 0.00 42.92 42.19 2k25 s ASP 29 CO 0.46 0.22 0.65 0.28 0.21 0.00 0.00 175.17 177.00 2k25 s THR 30 N 0.06 2.79 0.55 -1.27 -1.32 -1.26 -4.49 115.64 110.70 2k25 s THR 30 Ca 0.04 -0.92 0.30 0.00 -1.21 0.00 0.00 61.69 59.90 2k25 s THR 30 Cb -0.12 -2.86 0.44 0.00 -1.51 0.00 0.00 72.50 68.44 2k25 s THR 30 CO 0.01 0.00 1.90 0.40 -2.21 0.00 0.00 174.62 174.72 2k25 h ILE 31 N 0.43 0.51 -0.14 5.08 5.03 -1.97 -1.40 117.51 125.05 2k25 h ILE 31 Ca -0.39 0.00 0.05 0.00 -0.12 0.00 0.00 64.86 64.40 2k25 h ILE 31 Cb 1.28 0.59 -0.06 0.00 -3.03 0.00 0.00 36.82 35.60 2k25 h ILE 31 CO 0.46 0.00 -0.30 -0.33 -0.68 0.00 0.00 178.15 177.29 2k25 h GLU 32 N 0.00 -0.36 0.13 2.37 3.07 -1.95 0.30 114.58 118.14 2k25 h GLU 32 Ca 0.34 0.02 -0.29 0.00 -0.50 0.00 0.00 59.36 58.93 2k25 h GLU 32 Cb 1.48 0.08 0.03 0.00 -0.84 0.00 0.00 28.75 29.50 2k25 h GLU 32 CO -0.00 -0.24 -1.22 -0.91 -1.40 0.00 0.00 179.01 175.24 2k25 h ASN 33 N -0.37 0.86 -0.55 1.42 4.21 -1.68 -3.25 115.58 116.21 2k25 h ASN 33 Ca 0.10 -0.83 0.11 0.00 1.21 0.00 0.00 56.30 56.89 2k25 h ASN 33 Cb 0.53 -0.27 -0.03 0.00 -1.12 0.00 0.00 38.32 37.42 2k25 h ASN 33 CO -0.35 1.60 0.37 0.58 -1.29 0.00 0.00 177.43 178.35 2k25 h VAL 34 N 0.23 0.85 -0.74 2.81 2.07 -1.04 -0.37 116.25 120.05 2k25 h VAL 34 Ca -0.19 -0.09 0.21 0.00 0.82 0.00 0.00 66.70 67.46 2k25 h VAL 34 Cb 1.90 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 32.21 2k25 h VAL 34 CO 0.23 0.05 0.54 0.07 0.02 0.00 0.00 177.57 178.49 2k25 h LYS 35 N 0.26 0.00 -0.08 1.57 2.10 -0.44 0.35 116.57 120.34 2k25 h LYS 35 Ca 0.26 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.85 2k25 h LYS 35 Cb 0.66 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.98 2k25 h LYS 35 CO -0.05 0.00 -0.19 0.00 -2.00 0.00 0.00 179.45 177.20 2k25 h ALA 36 N 1.61 1.54 0.03 0.07 0.00 -1.25 0.30 119.26 121.57 2k25 h ALA 36 Ca 0.35 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 2k25 h ALA 36 Cb 1.43 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2k25 h ALA 36 CO -0.00 0.34 -0.02 0.87 0.00 0.00 0.00 179.25 180.44 2k25 h LYS 37 N 0.12 -0.04 -0.44 0.00 6.56 -0.46 -3.16 116.57 119.14 2k25 h LYS 37 Ca 0.02 0.00 -0.07 0.00 -1.06 0.00 0.00 60.65 59.54 2k25 h LYS 37 Cb 0.42 0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 32.07 2k25 h LYS 37 CO 0.03 0.64 -0.00 0.97 -2.06 0.00 0.00 179.45 179.02 2k25 h ILE 38 N -0.84 1.26 -0.61 1.86 6.09 -1.43 -2.69 117.51 121.15 2k25 h ILE 38 Ca -0.00 -1.04 0.17 0.00 -1.37 0.00 0.00 64.86 62.62 2k25 h ILE 38 Cb 0.70 1.06 -0.03 0.00 0.47 0.00 0.00 36.82 39.03 2k25 h ILE 38 CO 0.01 0.36 0.44 -0.61 -3.07 0.00 0.00 178.15 175.27 2k25 h GLN 39 N 0.62 0.02 0.00 2.19 5.75 -0.52 0.37 115.11 123.54 2k25 h GLN 39 Ca 0.12 -0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 58.51 2k25 h GLN 39 Cb 0.49 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.03 2k25 h GLN 39 CO 0.02 0.01 -0.52 -0.44 -2.65 0.00 0.00 178.83 175.26 2k25 h ASP 40 N 0.02 0.00 0.11 -0.69 3.32 -1.44 -0.35 116.42 117.39 2k25 h ASP 40 Ca 0.29 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.33 2k25 h ASP 40 Cb 1.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.69 2k25 h ASP 40 CO -0.01 0.52 -0.05 0.11 -1.72 0.00 0.00 179.24 178.09 2k25 h LYS 41 N 0.00 -0.14 0.00 3.56 1.79 -0.20 -3.44 116.57 118.14 2k25 h LYS 41 Ca -0.01 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2k25 h LYS 41 Cb 1.24 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.92 2k25 h LYS 41 CO 0.07 0.29 -0.71 0.39 -1.08 0.00 0.00 179.45 178.41 2k25 n GLU 42 N -4.84 1.13 -0.14 3.15 1.02 -0.70 -5.05 120.64 115.21 2k25 n GLU 42 Ca -0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 2k25 n GLU 42 Cb 0.25 -0.86 0.00 0.00 -0.02 0.00 0.00 31.44 30.81 2k25 n GLU 42 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k25 n GLY 43 N 2.67 1.44 3.73 0.62 0.00 -0.14 -4.89 105.19 108.61 2k25 n GLY 43 Ca 0.00 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 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 3.40 -0.05 -0.61 -1.09 -1.26 -4.91 121.20 114.68 2k25 s ILE 44 Ca 0.00 1.12 -0.30 0.00 -2.23 0.00 0.00 60.65 59.24 2k25 s ILE 44 Cb 0.00 -3.72 -0.05 0.00 -1.58 0.00 0.00 42.46 37.12 2k25 s ILE 44 CO 0.00 0.15 1.49 -2.16 -1.23 0.00 0.00 174.94 173.20 2k25 s PRO 45 N 0.13 4.22 0.47 2.79 0.04 -1.26 -4.62 135.00 136.77 2k25 s PRO 45 Ca 0.57 2.02 0.26 0.00 0.04 0.00 0.00 61.00 63.88 2k25 s PRO 45 Cb -0.35 -3.79 1.09 0.00 0.04 0.00 0.00 34.50 31.49 2k25 s PRO 45 CO 0.36 -0.73 1.90 -1.00 0.04 0.00 0.00 177.00 177.57 2k25 h PRO 46 N 8.66 0.00 -0.75 0.56 0.13 -1.93 0.95 132.00 139.61 2k25 h PRO 46 Ca -0.36 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.79 2k25 h PRO 46 Cb 1.16 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.25 2k25 h PRO 46 CO 0.94 0.18 0.50 0.38 -0.23 0.00 0.00 178.00 179.77 2k25 h ASP 47 N 0.00 0.82 0.00 1.44 3.04 -2.00 -2.98 116.42 116.74 2k25 h ASP 47 Ca -0.00 -0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.77 2k25 h ASP 47 Cb 0.63 -0.20 0.00 0.00 -1.04 0.00 0.00 39.33 38.73 2k25 h ASP 47 CO 0.02 0.57 -1.45 1.67 -2.04 0.00 0.00 179.24 178.02 2k25 n GLN 48 N -4.44 0.80 -1.59 4.15 -0.06 -1.14 -5.01 117.38 110.09 2k25 n GLN 48 Ca 0.09 -0.10 -0.48 0.00 -2.00 0.00 0.00 57.00 54.51 2k25 n GLN 48 Cb 0.09 -1.29 -0.04 0.00 -4.06 0.00 0.00 30.24 24.94 2k25 n GLN 48 CO 0.00 0.00 0.00 0.94 -0.20 0.00 0.00 177.06 177.80 2k25 n GLN 49 N -1.86 1.25 -4.03 3.69 7.27 0.31 -4.90 117.38 119.12 2k25 n GLN 49 Ca -0.02 0.44 -0.34 0.00 0.07 0.00 0.00 57.00 57.16 2k25 n GLN 49 Cb 0.33 -1.94 -0.06 0.00 2.41 0.00 0.00 30.24 30.97 2k25 n GLN 49 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 2k25 s ARG 50 N -0.48 3.23 -0.15 3.69 0.52 -1.26 -4.94 118.95 119.56 2k25 s ARG 50 Ca 0.71 -0.37 -0.04 0.00 -0.52 0.00 0.00 55.73 55.51 2k25 s ARG 50 Cb -0.82 -2.98 -0.03 0.00 0.52 0.00 0.00 34.95 31.63 2k25 s ARG 50 CO 0.53 0.68 0.00 -0.51 0.02 0.00 0.00 175.30 176.02 2k25 s LEU 51 N -1.59 3.52 -0.14 2.53 1.02 -1.26 -3.47 118.68 119.29 2k25 s LEU 51 Ca 0.22 0.01 -0.00 0.00 0.02 0.00 0.00 54.13 54.38 2k25 s LEU 51 Cb -0.12 -1.85 0.03 0.00 0.02 0.00 0.00 46.19 44.27 2k25 s LEU 51 CO 0.12 0.23 -0.09 -0.63 0.02 0.00 0.00 176.35 176.01 2k25 s ILE 52 N 0.03 1.22 -0.24 -0.59 1.09 -1.13 -3.16 121.20 118.43 2k25 s ILE 52 Ca 0.03 -0.52 0.02 0.00 -1.10 0.00 0.00 60.65 59.07 2k25 s ILE 52 Cb -0.13 -1.27 0.05 0.00 -1.06 0.00 0.00 42.46 40.06 2k25 s ILE 52 CO 0.02 0.30 -0.09 0.12 -0.10 0.00 0.00 174.94 175.19 2k25 s PHE 53 N 1.61 2.79 -1.23 3.97 5.36 0.10 -3.03 117.98 127.55 2k25 s PHE 53 Ca 0.03 -1.96 -0.03 0.00 -0.96 0.00 0.00 56.93 54.02 2k25 s PHE 53 Cb -0.14 -1.76 0.02 0.00 -0.34 0.00 0.00 43.02 40.80 2k25 s PHE 53 CO -0.09 -0.81 0.17 0.00 -1.46 0.00 0.00 175.22 173.03 2k25 n ALA 54 N 4.57 -0.85 0.00 11.12 0.00 -1.26 0.06 120.51 134.15 2k25 n ALA 54 Ca -0.14 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2k25 n ALA 54 Cb 0.44 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.78 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 -0.98 3.19 3.66 0.00 0.00 -1.26 -5.02 105.19 104.77 2k25 n GLY 55 Ca -0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.46 4.09 0.44 1.61 2.20 0.11 -5.04 119.74 122.68 2k25 s LYS 56 Ca 0.00 -0.16 -0.17 0.00 -0.36 0.00 0.00 55.97 55.28 2k25 s LYS 56 Cb 0.00 -3.55 -0.09 0.00 -1.51 0.00 0.00 37.83 32.68 2k25 s LYS 56 CO 0.00 0.02 0.90 1.14 -0.36 0.00 0.00 175.35 177.05 2k25 s GLN 57 N 1.17 4.03 0.00 4.03 0.00 -1.26 0.00 119.66 127.64 2k25 s GLN 57 Ca 0.10 0.90 0.00 0.00 -0.00 0.00 0.00 55.36 56.36 2k25 s GLN 57 Cb -0.14 -2.23 0.00 0.00 0.00 0.00 0.00 33.01 30.64 2k25 s GLN 57 CO 0.06 -0.09 0.00 1.28 0.00 0.00 0.00 175.29 176.54 2k25 n LEU 58 N -1.03 0.00 0.00 2.60 7.99 -1.19 -4.90 117.00 120.47 2k25 n LEU 58 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.06 2k25 n LEU 58 Cb 0.54 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.85 2k25 n LEU 58 CO 0.43 -0.02 0.00 -0.62 -1.51 0.00 0.00 177.39 175.66 2k25 n GLU 59 N -0.04 1.55 -3.82 3.23 -0.58 -1.26 -4.68 120.64 115.03 2k25 n GLU 59 Ca 0.00 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.62 2k25 n GLU 59 Cb 0.00 0.00 -0.12 0.00 -0.57 0.00 0.00 31.44 30.75 2k25 n GLU 59 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2k25 s ASP 60 N -0.95 -0.15 0.00 1.62 2.15 -1.26 -4.89 116.67 113.18 2k25 s ASP 60 Ca 0.00 0.28 0.00 0.00 0.43 0.00 0.00 52.55 53.26 2k25 s ASP 60 Cb 0.00 0.31 0.00 0.00 -0.30 0.00 0.00 42.92 42.93 2k25 s ASP 60 CO 0.00 -0.08 0.00 0.61 -0.17 0.00 0.00 175.17 175.53 2k25 n GLY 61 N 2.89 0.66 3.35 2.66 0.00 -1.26 -5.11 105.19 108.37 2k25 n GLY 61 Ca -0.13 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.71 2k25 n GLY 61 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2k25 s ARG 62 N 0.00 1.37 0.64 1.61 3.52 -1.26 -5.04 118.95 119.79 2k25 s ARG 62 Ca 0.00 -1.68 -0.04 0.00 -0.13 0.00 0.00 55.73 53.88 2k25 s ARG 62 Cb 0.00 -0.77 0.05 0.00 -1.56 0.00 0.00 34.95 32.66 2k25 s ARG 62 CO 0.00 -0.04 0.93 0.95 -0.81 0.00 0.00 175.30 176.33 2k25 s THR 63 N -3.29 2.54 0.21 4.11 -4.23 -1.26 -4.53 115.64 109.19 2k25 s THR 63 Ca 0.28 -0.37 0.00 0.00 -1.18 0.00 0.00 61.69 60.41 2k25 s THR 63 Cb 0.05 -3.05 -0.05 0.00 1.34 0.00 0.00 72.50 70.79 2k25 s THR 63 CO 0.09 -0.04 1.53 -0.07 -0.54 0.00 0.00 174.62 175.58 2k25 h LEU 64 N -0.34 0.46 -0.81 4.79 3.38 -1.74 -2.30 115.31 118.74 2k25 h LEU 64 Ca -0.44 -0.25 -0.13 0.00 0.09 0.00 0.00 57.88 57.15 2k25 h LEU 64 Cb 1.30 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 2k25 h LEU 64 CO 0.58 0.94 -0.54 -1.28 0.09 0.00 0.00 178.44 178.22 2k25 h SER 65 N 0.31 0.16 -0.07 -0.43 0.87 -1.86 0.23 113.55 112.75 2k25 h SER 65 Ca -0.00 -0.08 -0.25 0.00 -1.23 0.00 0.00 61.79 60.23 2k25 h SER 65 Cb 1.11 -0.04 0.02 0.00 -0.44 0.00 0.00 62.40 63.04 2k25 h SER 65 CO 0.10 0.67 -0.91 -0.33 -0.53 0.00 0.00 176.83 175.82 2k25 h GLU 66 N 0.11 0.74 -0.00 2.24 4.39 -1.79 -3.17 114.58 117.09 2k25 h GLU 66 Ca -0.00 -0.71 0.00 0.00 0.34 0.00 0.00 59.36 58.99 2k25 h GLU 66 Cb 0.99 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 2k25 h GLU 66 CO 0.08 1.29 -0.28 0.98 -1.16 0.00 0.00 179.01 179.92 2k25 n TYR 67 N -3.90 0.00 -3.89 4.33 4.19 -0.87 -4.95 117.16 112.07 2k25 n TYR 67 Ca -0.09 0.00 -0.26 0.00 3.31 0.00 0.00 57.90 60.85 2k25 n TYR 67 Cb 0.82 -0.21 0.01 0.00 0.49 0.00 0.00 39.34 40.44 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 -1.09 -2.05 -4.68 2.98 3.02 0.76 -4.97 115.26 109.23 2k25 n ASN 68 Ca 0.10 -0.89 -0.27 0.00 -0.03 0.00 0.00 54.58 53.49 2k25 n ASN 68 Cb 0.33 -3.57 -0.07 0.00 -0.61 0.00 0.00 39.78 35.85 2k25 n ASN 68 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2k25 s ILE 69 N -3.62 3.87 -1.18 2.41 -4.36 -0.90 -5.04 121.20 112.37 2k25 s ILE 69 Ca 0.25 -1.31 -0.05 0.00 -0.26 0.00 0.00 60.65 59.28 2k25 s ILE 69 Cb -0.13 -2.93 0.23 0.00 1.25 0.00 0.00 42.46 40.88 2k25 s ILE 69 CO 0.85 -0.07 1.86 0.00 0.24 0.00 0.00 174.94 177.82 2k25 n GLN 70 N -0.04 4.47 -0.04 0.37 10.64 -1.26 -4.69 117.38 126.84 2k25 n GLN 70 Ca -0.10 -4.06 0.09 0.00 -1.83 0.00 0.00 57.00 51.10 2k25 n GLN 70 Cb 0.55 -2.64 0.43 0.00 -0.86 0.00 0.00 30.24 27.72 2k25 n GLN 70 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 2k25 n LYS 71 N 1.82 1.32 -0.89 2.61 4.81 -1.26 -3.54 118.16 123.03 2k25 n LYS 71 Ca 0.42 -0.48 0.01 0.00 -0.87 0.00 0.00 58.31 57.39 2k25 n LYS 71 Cb 0.31 -1.31 0.34 0.00 0.02 0.00 0.00 35.03 34.38 2k25 n LYS 71 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 2k25 n GLU 72 N -0.28 4.20 0.00 1.64 2.13 -1.26 -4.68 120.64 122.39 2k25 n GLU 72 Ca 0.14 -2.90 0.00 0.00 0.66 0.00 0.00 57.16 55.06 2k25 n GLU 72 Cb 0.17 -2.19 0.00 0.00 0.27 0.00 0.00 31.44 29.69 2k25 n GLU 72 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 2k25 n SER 73 N 0.30 0.00 -3.67 4.31 7.64 -1.23 -5.08 113.62 115.89 2k25 n SER 73 Ca 0.31 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.91 2k25 n SER 73 Cb 1.21 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 64.25 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 0.00 0.31 -0.06 0.44 2.01 -1.26 -4.42 115.64 112.66 2k25 s THR 74 Ca 0.00 -0.60 0.00 0.00 0.31 0.00 0.00 61.69 61.40 2k25 s THR 74 Cb 0.00 -0.99 0.02 0.00 0.01 0.00 0.00 72.50 71.54 2k25 s THR 74 CO 0.00 -0.38 -0.05 -0.76 -0.69 0.00 0.00 174.62 172.74 2k25 s LEU 75 N 1.94 1.19 -0.36 4.42 2.01 -1.19 -4.65 118.68 122.04 2k25 s LEU 75 Ca 0.03 -0.16 -0.05 0.00 0.01 0.00 0.00 54.13 53.95 2k25 s LEU 75 Cb -0.17 -0.54 0.06 0.00 0.01 0.00 0.00 46.19 45.56 2k25 s LEU 75 CO -0.16 -0.08 0.14 -1.00 1.01 0.00 0.00 176.35 176.26 2k25 s HIS 76 N 1.21 3.34 -0.34 0.29 3.76 -1.17 -4.12 115.29 118.27 2k25 s HIS 76 Ca -0.06 -1.73 0.00 0.00 -0.15 0.00 0.00 55.06 53.12 2k25 s HIS 76 Cb -0.14 -2.59 0.11 0.00 1.11 0.00 0.00 32.58 31.07 2k25 s HIS 76 CO -0.02 -0.82 0.12 -0.48 -0.85 0.00 0.00 174.74 172.70 2k25 s LEU 77 N 1.33 2.52 -0.12 0.89 2.34 -1.26 -2.83 118.68 121.54 2k25 s LEU 77 Ca 0.01 -1.90 -0.07 0.00 0.06 0.00 0.00 54.13 52.23 2k25 s LEU 77 Cb -0.21 -0.95 0.05 0.00 -0.56 0.00 0.00 46.19 44.51 2k25 s LEU 77 CO 0.00 -0.38 0.30 -0.69 -1.06 0.00 0.00 176.35 174.52 2k25 s VAL 78 N 1.29 -0.03 -0.27 1.48 1.01 -1.23 -4.81 120.40 117.84 2k25 s VAL 78 Ca 0.12 0.12 -0.02 0.00 0.00 0.00 0.00 61.98 62.19 2k25 s VAL 78 Cb -0.19 -0.45 0.03 0.00 0.00 0.00 0.00 36.38 35.77 2k25 s VAL 78 CO -0.18 0.05 -0.03 -0.22 0.00 0.00 0.00 175.10 174.72 2k25 s LEU 79 N 1.21 3.50 -0.33 3.92 2.96 -1.26 -4.70 118.68 123.98 2k25 s LEU 79 Ca -0.09 -0.99 -0.17 0.00 -0.22 0.00 0.00 54.13 52.66 2k25 s LEU 79 Cb -0.09 -1.70 0.02 0.00 0.50 0.00 0.00 46.19 44.92 2k25 s LEU 79 CO -0.09 -0.18 0.39 -1.14 -1.32 0.00 0.00 176.35 174.01 2k25 n ARG 80 N 4.68 -2.03 -0.58 1.98 0.63 -1.26 -4.87 116.66 115.20 2k25 n ARG 80 Ca -0.15 1.76 -0.27 0.00 -0.92 0.00 0.00 57.85 58.27 2k25 n ARG 80 Cb 0.46 -3.53 0.18 0.00 0.45 0.00 0.00 32.46 30.02 2k25 n ARG 80 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59 2k25 n LEU 81 N 0.25 -1.85 -3.27 6.15 -0.00 -1.26 -5.01 117.00 112.00 2k25 n LEU 81 Ca 0.01 -0.29 0.03 0.00 -0.00 0.00 0.00 56.01 55.76 2k25 n LEU 81 Cb 0.45 -0.90 -0.02 0.00 -0.00 0.00 0.00 43.42 42.96 2k25 n LEU 81 CO 0.40 -3.27 0.18 -0.60 -0.00 0.00 0.00 177.39 174.11 2k25 s ARG 82 N -3.61 0.57 -0.04 1.47 3.52 -1.26 -5.03 118.95 114.57 2k25 s ARG 82 Ca 0.51 1.11 0.15 0.00 -0.13 0.00 0.00 55.73 57.36 2k25 s ARG 82 Cb -0.10 0.61 -0.21 0.00 -1.56 0.00 0.00 34.95 33.70 2k25 s ARG 82 CO 0.55 -0.52 0.60 0.41 -0.81 0.00 0.00 175.30 175.53 2k25 n GLY 83 N 5.43 -1.06 3.45 8.12 0.00 -1.26 -4.90 105.19 114.97 2k25 n GLY 83 Ca -0.04 -0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 2k25 n GLY 83 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k25 s TYR 84 N -2.71 -0.19 -0.05 1.61 2.02 -1.26 -4.80 117.35 111.97 2k25 s TYR 84 Ca -0.05 0.49 -0.04 0.00 -0.37 0.00 0.00 57.07 57.10 2k25 s TYR 84 Cb 0.08 -3.21 0.01 0.00 -0.40 0.00 0.00 41.96 38.45 2k25 s TYR 84 CO 0.82 -4.49 0.08 0.00 -1.57 0.00 0.00 175.55 170.39 2k25 n ALA 85 N -5.22 -2.71 -1.00 3.71 0.00 -1.26 -5.02 120.51 109.01 2k25 n ALA 85 Ca 0.14 1.01 0.00 0.00 0.00 0.00 0.00 53.44 54.59 2k25 n ALA 85 Cb 0.60 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.80 2k25 n ALA 85 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2k25 n ASP 86 N 1.48 -0.86 -4.63 0.00 5.75 -1.26 -4.89 116.55 112.14 2k25 n ASP 86 Ca -0.13 -0.47 -0.48 0.00 -0.01 0.00 0.00 54.79 53.69 2k25 n ASP 86 Cb 0.20 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.25 2k25 n ASP 86 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2k25 n LEU 87 N 0.00 2.37 0.00 -2.12 4.32 -1.26 -4.98 117.00 115.34 2k25 n LEU 87 Ca 0.00 1.12 -0.07 0.00 -0.02 0.00 0.00 56.01 57.03 2k25 n LEU 87 Cb 0.00 -1.32 -0.02 0.00 -1.62 0.00 0.00 43.42 40.46 2k25 n LEU 87 CO 0.00 -0.74 -0.04 -2.11 -1.22 0.00 0.00 177.39 173.28 2k25 n ARG 88 N 2.60 0.76 -1.53 3.23 1.85 -1.26 -5.06 116.66 117.24 2k25 n ARG 88 Ca 0.16 -0.99 -0.39 0.00 -1.00 0.00 0.00 57.85 55.63 2k25 n ARG 88 Cb 0.25 0.57 -0.06 0.00 -1.05 0.00 0.00 32.46 32.17 2k25 n ARG 88 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 2k25 n GLU 89 N -0.25 0.89 -1.50 2.89 4.07 -1.26 -4.91 120.64 120.56 2k25 n GLU 89 Ca -0.01 0.06 -0.32 0.00 -0.06 0.00 0.00 57.16 56.83 2k25 n GLU 89 Cb 0.18 -2.92 0.07 0.00 -0.06 0.00 0.00 31.44 28.71 2k25 n GLU 89 CO 0.00 0.00 0.00 0.16 -0.06 0.00 0.00 177.13 177.23 2k25 s ASP 90 N 10.79 4.68 -1.12 4.31 1.47 -1.26 -4.88 116.67 130.66 2k25 s ASP 90 Ca 1.08 2.00 -0.23 0.00 1.18 0.00 0.00 52.55 56.58 2k25 s ASP 90 Cb -0.49 -2.55 -0.10 0.00 -0.34 0.00 0.00 42.92 39.45 2k25 s ASP 90 CO 0.34 -1.92 1.93 -0.81 0.68 0.00 0.00 175.17 175.39 2k25 n PRO 91 N -2.90 1.58 -3.64 2.11 -0.04 -1.26 -4.78 135.00 126.06 2k25 n PRO 91 Ca 0.10 -2.38 -0.04 0.00 -0.04 0.00 0.00 63.50 61.14 2k25 n PRO 91 Cb 0.52 -3.61 -0.06 0.00 -0.04 0.00 0.00 33.50 30.31 2k25 n PRO 91 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2k25 s ASP 92 N 6.26 -0.15 1.39 3.54 2.15 -1.26 -4.92 116.67 123.68 2k25 s ASP 92 Ca 0.67 0.27 -0.21 0.00 0.43 0.00 0.00 52.55 53.71 2k25 s ASP 92 Cb 0.02 0.26 0.35 0.00 -0.30 0.00 0.00 42.92 43.25 2k25 s ASP 92 CO 0.14 -0.07 0.88 0.54 -0.17 0.00 0.00 175.17 176.48 2k25 n ARG 93 N 1.48 -4.15 -1.67 4.34 1.74 -1.26 -4.82 116.66 112.32 2k25 n ARG 93 Ca -0.09 -1.22 -0.48 0.00 -0.77 0.00 0.00 57.85 55.29 2k25 n ARG 93 Cb 0.57 -1.97 -0.05 0.00 -1.02 0.00 0.00 32.46 30.00 2k25 n ARG 93 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2k25 n GLN 94 N -5.41 2.07 -3.61 5.56 6.02 -1.26 -4.93 117.38 115.82 2k25 n GLN 94 Ca 0.10 0.75 -0.06 0.00 -0.01 0.00 0.00 57.00 57.78 2k25 n GLN 94 Cb 0.58 -2.56 -0.05 0.00 1.02 0.00 0.00 30.24 29.24 2k25 n GLN 94 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2k25 s ASP 95 N 2.79 -0.21 0.24 1.08 2.15 -1.26 -5.19 116.67 116.27 2k25 s ASP 95 Ca 0.88 0.22 0.03 0.00 0.43 0.00 0.00 52.55 54.11 2k25 s ASP 95 Cb -0.72 0.18 -0.01 0.00 -0.30 0.00 0.00 42.92 42.07 2k25 s ASP 95 CO 0.47 -0.20 0.26 0.00 -0.17 0.00 0.00 175.17 175.53 2k25 n HIS 96 N 0.60 -0.80 0.00 -5.34 1.44 -1.26 -5.08 115.22 104.79 2k25 n HIS 96 Ca -0.05 -1.83 0.00 0.00 -2.01 0.00 0.00 57.72 53.83 2k25 n HIS 96 Cb 0.58 0.28 0.00 0.00 0.12 0.00 0.00 29.99 30.97 2k25 n HIS 96 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2k25 n HIS 97 N -0.43 0.00 -1.26 -1.40 8.25 -1.26 -5.15 115.22 113.97 2k25 n HIS 97 Ca 0.03 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.18 2k25 n HIS 97 Cb 0.42 0.00 0.09 0.00 1.12 0.00 0.00 29.99 31.62 2k25 n HIS 97 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2k25 s PRO 98 N 0.00 2.26 0.00 -0.41 0.04 -1.26 -4.98 135.00 130.64 2k25 s PRO 98 Ca 0.00 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.21 2k25 s PRO 98 Cb 0.00 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.64 2k25 s PRO 98 CO 0.00 -1.65 0.00 0.41 0.04 0.00 0.00 177.00 175.80 2k25 n GLY 99 N -1.19 -0.70 3.35 0.56 0.00 -1.26 -5.19 105.19 100.76 2k25 n GLY 99 Ca 0.09 0.27 -0.09 0.00 0.00 0.00 0.00 46.02 46.29 2k25 n GLY 99 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k25 s SER 100 N 0.00 -0.04 0.08 1.61 0.15 -1.26 -5.18 113.70 109.06 2k25 s SER 100 Ca 0.00 -0.69 0.01 0.00 0.70 0.00 0.00 55.95 55.97 2k25 s SER 100 Cb 0.00 0.45 0.01 0.00 -1.71 0.00 0.00 66.02 64.77 2k25 s SER 100 CO 0.00 -0.89 0.05 0.61 1.20 0.00 0.00 173.24 174.21 2k25 n GLY 101 N -0.21 3.25 3.62 9.45 0.00 -1.26 -5.16 105.19 114.87 2k25 n GLY 101 Ca -0.10 -2.20 -0.05 0.00 0.00 0.00 0.00 46.02 43.67 2k25 n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k25 s ALA 102 N -2.13 -2.06 -2.94 4.61 0.00 -1.26 -5.34 121.76 112.65 2k25 s ALA 102 Ca 0.04 1.79 0.24 0.00 0.00 0.00 0.00 51.96 54.02 2k25 s ALA 102 Cb -0.00 -1.25 0.19 0.00 0.00 0.00 0.00 23.12 22.05 2k25 s ALA 102 CO 0.02 -0.26 1.24 1.04 0.00 0.00 0.00 175.76 177.81