#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k25 s SER 2 N 0.00 -0.08 0.12 1.61 0.01 -1.26 -5.16 113.70 108.94 2k25 s SER 2 Ca 0.00 0.18 0.03 0.00 1.31 0.00 0.00 55.95 57.47 2k25 s SER 2 Cb 0.00 0.16 -0.04 0.00 0.21 0.00 0.00 66.02 66.34 2k25 s SER 2 CO 0.00 -0.05 -0.09 -1.48 0.41 0.00 0.00 173.24 172.03 2k25 s LEU 3 N 0.26 2.50 -0.07 2.44 -0.00 -1.26 -4.98 118.68 117.57 2k25 s LEU 3 Ca -0.02 -0.97 0.05 0.00 -0.00 0.00 0.00 54.13 53.19 2k25 s LEU 3 Cb -0.03 -0.26 -0.00 0.00 -0.00 0.00 0.00 46.19 45.90 2k25 s LEU 3 CO -0.01 -0.36 -0.23 0.54 -0.00 0.00 0.00 176.35 176.30 2k25 s VAL 4 N -3.22 1.89 0.97 1.48 0.11 -1.26 -5.10 120.40 115.28 2k25 s VAL 4 Ca 0.13 -0.95 -0.12 0.00 -2.93 0.00 0.00 61.98 58.10 2k25 s VAL 4 Cb 0.02 -1.62 0.17 0.00 -1.53 0.00 0.00 36.38 33.42 2k25 s VAL 4 CO -0.01 0.53 1.09 -2.16 -3.33 0.00 0.00 175.10 171.22 2k25 s PRO 5 N 0.09 0.63 -0.21 1.54 0.04 -1.26 -5.01 135.00 130.83 2k25 s PRO 5 Ca -0.09 0.61 -0.27 0.00 0.04 0.00 0.00 61.00 61.29 2k25 s PRO 5 Cb -0.15 -1.75 0.07 0.00 0.04 0.00 0.00 34.50 32.71 2k25 s PRO 5 CO 0.05 -2.61 0.72 -0.98 0.04 0.00 0.00 177.00 174.21 2k25 s ARG 6 N -4.95 0.90 0.00 4.56 1.70 -1.26 -5.17 118.95 114.72 2k25 s ARG 6 Ca 0.65 0.78 0.00 0.00 -0.47 0.00 0.00 55.73 56.69 2k25 s ARG 6 Cb -0.18 0.43 0.00 0.00 -0.57 0.00 0.00 34.95 34.63 2k25 s ARG 6 CO 0.57 -0.17 0.00 0.41 -1.08 0.00 0.00 175.30 175.04 2k25 n GLY 7 N 2.16 2.31 0.03 3.88 0.00 -1.26 -5.01 105.19 107.29 2k25 n GLY 7 Ca -0.15 -1.12 0.01 0.00 0.00 0.00 0.00 46.02 44.76 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 2.42 -4.52 1.61 7.64 -1.26 -4.97 113.62 114.54 2k25 n SER 8 Ca 0.00 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.54 2k25 n SER 8 Cb 0.00 1.19 -0.12 0.00 -1.01 0.00 0.00 64.21 64.27 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 -2.56 3.45 0.00 1.43 -1.94 -1.26 -5.10 119.30 113.33 2k25 s MET 9 Ca -0.05 -0.52 0.04 0.00 -1.71 0.00 0.00 55.69 53.45 2k25 s MET 9 Cb 0.05 -2.83 -0.01 0.00 2.01 0.00 0.00 34.83 34.05 2k25 s MET 9 CO 0.45 0.35 -0.12 -0.65 -0.01 0.00 0.00 175.02 175.04 2k25 s GLN 10 N 0.06 0.93 0.29 2.03 -0.21 -1.25 -4.28 119.66 117.24 2k25 s GLN 10 Ca -0.00 -0.50 -0.05 0.00 0.02 0.00 0.00 55.36 54.82 2k25 s GLN 10 Cb -0.13 -0.91 -0.01 0.00 1.00 0.00 0.00 33.01 32.96 2k25 s GLN 10 CO 0.03 0.24 0.43 -1.50 -2.12 0.00 0.00 175.29 172.37 2k25 s ILE 11 N -0.43 0.00 -0.23 1.08 2.07 -0.67 -4.89 121.20 118.13 2k25 s ILE 11 Ca 0.03 -1.60 -0.07 0.00 -1.41 0.00 0.00 60.65 57.60 2k25 s ILE 11 Cb -0.05 -2.49 -0.03 0.00 0.13 0.00 0.00 42.46 40.02 2k25 s ILE 11 CO -0.00 0.00 0.07 -0.36 -1.91 0.00 0.00 174.94 172.74 2k25 s PHE 12 N -3.50 3.11 -0.02 3.50 0.40 -1.26 -3.99 117.98 116.22 2k25 s PHE 12 Ca 0.29 -0.31 0.02 0.00 -0.60 0.00 0.00 56.93 56.33 2k25 s PHE 12 Cb 0.01 -2.20 0.01 0.00 0.51 0.00 0.00 43.02 41.34 2k25 s PHE 12 CO 0.16 -0.25 -0.07 0.08 0.70 0.00 0.00 175.22 175.84 2k25 s VAL 13 N 1.34 0.64 0.04 -0.44 1.01 -1.23 -2.99 120.40 118.77 2k25 s VAL 13 Ca 0.05 -0.27 0.09 0.00 0.00 0.00 0.00 61.98 61.85 2k25 s VAL 13 Cb -0.15 -0.58 -0.03 0.00 0.00 0.00 0.00 36.38 35.62 2k25 s VAL 13 CO 0.03 0.21 -0.26 -0.54 0.00 0.00 0.00 175.10 174.54 2k25 s LYS 14 N 0.28 1.84 0.38 2.72 -0.14 -1.26 -2.77 119.74 120.79 2k25 s LYS 14 Ca -0.04 -1.09 0.05 0.00 -1.36 0.00 0.00 55.97 53.53 2k25 s LYS 14 Cb -0.08 -1.99 0.07 0.00 -1.68 0.00 0.00 37.83 34.14 2k25 s LYS 14 CO 0.00 0.52 0.52 0.25 -0.76 0.00 0.00 175.35 175.88 2k25 n THR 15 N 1.86 0.00 0.10 2.17 -2.24 -0.50 -4.44 114.28 111.23 2k25 n THR 15 Ca -0.17 -1.17 -0.03 0.00 -2.27 0.00 0.00 64.05 60.42 2k25 n THR 15 Cb 0.52 -0.76 0.18 0.00 -2.10 0.00 0.00 70.33 68.17 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 0.22 0.00 3.22 3.38 -1.91 -3.03 115.31 117.19 2k25 h LEU 16 Ca -0.17 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.57 2k25 h LEU 16 Cb 0.77 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 2k25 h LEU 16 CO 0.24 0.69 -0.99 0.00 0.09 0.00 0.00 178.44 178.47 2k25 h THR 17 N 0.16 0.51 0.00 0.22 1.03 -1.97 -3.48 112.91 109.38 2k25 h THR 17 Ca 0.00 -1.85 0.00 0.00 -0.01 0.00 0.00 66.41 64.55 2k25 h THR 17 Cb 0.96 2.07 0.00 0.00 -1.07 0.00 0.00 68.15 70.10 2k25 h THR 17 CO 0.08 0.29 0.00 0.61 -0.01 0.00 0.00 175.52 176.48 2k25 n GLY 18 N 1.29 1.57 3.79 2.99 0.00 -1.15 -5.12 105.19 108.57 2k25 n GLY 18 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.08 3.51 -0.13 1.61 -0.14 -1.26 -4.69 119.74 118.56 2k25 s LYS 19 Ca 0.00 1.45 0.01 0.00 -1.36 0.00 0.00 55.97 56.06 2k25 s LYS 19 Cb 0.00 -2.04 -0.01 0.00 -1.68 0.00 0.00 37.83 34.10 2k25 s LYS 19 CO 0.00 -0.69 -0.16 0.95 -0.76 0.00 0.00 175.35 174.69 2k25 s THR 20 N -1.97 2.76 -0.02 2.17 -4.23 -1.26 -1.41 115.64 111.67 2k25 s THR 20 Ca 0.69 -0.76 0.02 0.00 -1.18 0.00 0.00 61.69 60.47 2k25 s THR 20 Cb -0.20 -2.15 0.00 0.00 1.34 0.00 0.00 72.50 71.50 2k25 s THR 20 CO 0.26 0.53 -0.08 0.27 -0.54 0.00 0.00 174.62 175.05 2k25 s ILE 21 N 0.51 0.74 -0.22 2.99 -0.00 -1.12 -5.03 121.20 119.08 2k25 s ILE 21 Ca -0.10 -0.34 -0.29 0.00 -0.00 0.00 0.00 60.65 59.92 2k25 s ILE 21 Cb -0.16 -0.66 0.01 0.00 -0.00 0.00 0.00 42.46 41.64 2k25 s ILE 21 CO 0.04 0.23 1.06 -0.89 -0.00 0.00 0.00 174.94 175.38 2k25 s THR 22 N 0.21 4.66 0.26 8.37 2.01 -1.26 -3.53 115.64 126.34 2k25 s THR 22 Ca -0.03 1.99 0.10 0.00 0.31 0.00 0.00 61.69 64.07 2k25 s THR 22 Cb -0.08 -4.29 -0.05 0.00 0.01 0.00 0.00 72.50 68.10 2k25 s THR 22 CO 0.00 -0.16 -0.10 -0.76 -0.69 0.00 0.00 174.62 172.91 2k25 s LEU 23 N 3.14 2.91 0.10 4.42 1.43 -1.26 -4.38 118.68 125.05 2k25 s LEU 23 Ca 0.45 -0.79 0.03 0.00 -1.03 0.00 0.00 54.13 52.79 2k25 s LEU 23 Cb -0.16 -1.46 -0.04 0.00 0.03 0.00 0.00 46.19 44.57 2k25 s LEU 23 CO 0.08 0.03 0.14 -1.83 0.23 0.00 0.00 176.35 175.00 2k25 s GLU 24 N -3.45 3.04 -0.04 1.70 -1.05 -1.26 -1.67 118.70 115.96 2k25 s GLU 24 Ca 0.30 -0.68 -0.08 0.00 -0.15 0.00 0.00 54.97 54.35 2k25 s GLU 24 Cb -0.06 -2.79 0.01 0.00 -0.44 0.00 0.00 34.13 30.85 2k25 s GLU 24 CO 0.17 0.55 0.20 0.14 0.95 0.00 0.00 175.26 177.27 2k25 s VAL 25 N -1.54 0.04 0.09 1.83 -7.23 -1.26 -4.72 120.40 107.62 2k25 s VAL 25 Ca 0.31 -0.33 -0.26 0.00 -1.81 0.00 0.00 61.98 59.89 2k25 s VAL 25 Cb -0.12 -0.40 0.07 0.00 0.56 0.00 0.00 36.38 36.49 2k25 s VAL 25 CO 0.24 -0.18 0.62 -1.61 -0.31 0.00 0.00 175.10 173.86 2k25 s GLU 26 N -0.67 1.21 0.51 4.82 2.02 -1.26 -4.95 118.70 120.37 2k25 s GLU 26 Ca -0.08 -0.24 0.29 0.00 0.02 0.00 0.00 54.97 54.97 2k25 s GLU 26 Cb -0.04 0.56 1.23 0.00 0.10 0.00 0.00 34.13 35.98 2k25 s GLU 26 CO 0.01 -0.48 1.94 -1.00 0.02 0.00 0.00 175.26 175.75 2k25 h PRO 27 N 2.33 0.00 -0.25 0.39 0.13 -1.98 -2.74 132.00 129.88 2k25 h PRO 27 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2k25 h PRO 27 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2k25 h PRO 27 CO 0.38 0.10 0.00 -1.13 -0.23 0.00 0.00 178.00 177.13 2k25 n SER 28 N -3.27 2.67 -4.51 1.44 3.41 -1.26 -3.07 113.62 109.02 2k25 n SER 28 Ca 0.00 -1.82 -0.27 0.00 -0.26 0.00 0.00 58.87 56.52 2k25 n SER 28 Cb 0.34 -0.16 -0.10 0.00 -0.26 0.00 0.00 64.21 64.02 2k25 n SER 28 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 2k25 s ASP 29 N -1.02 3.94 0.38 4.04 -4.77 -1.03 -4.99 116.67 113.22 2k25 s ASP 29 Ca 0.22 -0.66 0.04 0.00 -3.30 0.00 0.00 52.55 48.84 2k25 s ASP 29 Cb 0.12 -0.55 -0.04 0.00 -1.09 0.00 0.00 42.92 41.37 2k25 s ASP 29 CO 0.17 0.12 0.09 0.28 0.70 0.00 0.00 175.17 176.54 2k25 s THR 30 N -1.60 0.86 0.64 2.11 -1.32 -1.26 -4.09 115.64 110.98 2k25 s THR 30 Ca 0.22 -2.00 0.28 0.00 -1.21 0.00 0.00 61.69 58.99 2k25 s THR 30 Cb -0.09 -2.51 0.32 0.00 -1.51 0.00 0.00 72.50 68.71 2k25 s THR 30 CO 0.13 0.00 1.88 0.40 -2.21 0.00 0.00 174.62 174.81 2k25 h ILE 31 N 1.89 0.14 -0.42 5.08 1.08 -1.90 0.21 117.51 123.59 2k25 h ILE 31 Ca -0.38 0.00 -0.12 0.00 -0.39 0.00 0.00 64.86 63.97 2k25 h ILE 31 Cb 1.26 0.62 -0.01 0.00 -3.07 0.00 0.00 36.82 35.62 2k25 h ILE 31 CO 0.63 0.00 -0.20 -0.08 -0.69 0.00 0.00 178.15 177.81 2k25 h GLU 32 N 0.00 0.83 0.01 2.37 4.81 -1.94 -2.57 114.58 118.08 2k25 h GLU 32 Ca 0.08 -0.33 -0.01 0.00 -0.13 0.00 0.00 59.36 58.97 2k25 h GLU 32 Cb 0.92 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.26 2k25 h GLU 32 CO -0.00 0.96 -0.04 -0.91 -0.73 0.00 0.00 179.01 178.28 2k25 h ASN 33 N 0.72 0.03 -0.72 1.04 2.35 -1.00 -3.29 115.58 114.71 2k25 h ASN 33 Ca 0.10 -0.99 0.21 0.00 -0.55 0.00 0.00 56.30 55.07 2k25 h ASN 33 Cb 0.73 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 39.06 2k25 h ASN 33 CO 0.06 1.01 0.58 -0.37 -1.65 0.00 0.00 177.43 177.06 2k25 h VAL 34 N -0.96 0.49 -0.80 2.81 -1.51 -1.47 0.68 116.25 115.49 2k25 h VAL 34 Ca -0.01 0.00 0.23 0.00 -1.23 0.00 0.00 66.70 65.70 2k25 h VAL 34 Cb 1.02 0.58 -0.03 0.00 -2.13 0.00 0.00 31.29 30.73 2k25 h VAL 34 CO 0.01 0.00 0.66 0.07 -1.23 0.00 0.00 177.57 177.08 2k25 h LYS 35 N 0.00 0.00 -0.01 5.19 2.10 -1.53 0.43 116.57 122.75 2k25 h LYS 35 Ca 0.34 0.00 -0.23 0.00 -2.00 0.00 0.00 60.65 58.76 2k25 h LYS 35 Cb 1.50 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.84 2k25 h LYS 35 CO -0.00 0.00 -0.95 0.00 -2.00 0.00 0.00 179.45 176.50 2k25 h ALA 36 N 1.43 0.32 0.01 0.07 0.00 -1.07 -2.00 119.26 118.01 2k25 h ALA 36 Ca 0.38 -0.70 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 2k25 h ALA 36 Cb 1.71 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.49 2k25 h ALA 36 CO -0.00 0.78 -0.01 -0.22 0.00 0.00 0.00 179.25 179.80 2k25 h LYS 37 N 0.28 -0.01 -0.56 0.00 1.63 -0.35 -3.09 116.57 114.46 2k25 h LYS 37 Ca -0.09 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.70 2k25 h LYS 37 Cb 1.59 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 33.19 2k25 h LYS 37 CO 0.17 0.59 0.30 0.97 -3.45 0.00 0.00 179.45 178.02 2k25 h ILE 38 N -0.63 1.19 -0.48 2.00 6.09 -1.23 -2.10 117.51 122.36 2k25 h ILE 38 Ca -0.00 -0.51 0.14 0.00 -1.37 0.00 0.00 64.86 63.12 2k25 h ILE 38 Cb 0.61 0.50 -0.02 0.00 0.47 0.00 0.00 36.82 38.37 2k25 h ILE 38 CO 0.00 0.21 0.36 -0.61 -3.07 0.00 0.00 178.15 175.04 2k25 h GLN 39 N 0.76 0.00 0.00 2.19 5.75 -1.43 0.28 115.11 122.66 2k25 h GLN 39 Ca 0.20 0.00 -0.10 0.00 -0.15 0.00 0.00 58.65 58.60 2k25 h GLN 39 Cb 0.07 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.61 2k25 h GLN 39 CO -0.03 0.00 -0.48 0.22 -2.65 0.00 0.00 178.83 175.89 2k25 h ASP 40 N 0.00 0.00 0.14 -0.69 3.58 -1.29 0.05 116.42 118.21 2k25 h ASP 40 Ca 0.23 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.67 2k25 h ASP 40 Cb 0.94 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.99 2k25 h ASP 40 CO -0.00 0.48 -0.07 0.11 -2.88 0.00 0.00 179.24 176.89 2k25 h LYS 41 N 0.00 -0.18 0.00 0.28 1.79 -0.35 -3.43 116.57 114.69 2k25 h LYS 41 Ca -0.00 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 2k25 h LYS 41 Cb 1.12 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.81 2k25 h LYS 41 CO 0.06 0.22 -0.67 -0.85 -1.08 0.00 0.00 179.45 177.13 2k25 n GLU 42 N -4.88 1.20 0.00 3.15 0.28 -0.87 -4.40 120.64 115.13 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 0.24 -0.84 0.00 0.00 1.43 0.00 0.00 31.44 32.27 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 1.84 3.72 -1.84 0.00 0.01 -4.29 105.19 107.18 2k25 n GLY 43 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2k25 n GLY 43 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2k25 s ILE 44 N -2.00 3.40 -0.13 -0.61 1.10 -1.26 -4.91 121.20 116.80 2k25 s ILE 44 Ca 0.00 1.04 -0.29 0.00 -0.51 0.00 0.00 60.65 60.89 2k25 s ILE 44 Cb 0.00 -3.67 -0.04 0.00 0.15 0.00 0.00 42.46 38.91 2k25 s ILE 44 CO 0.00 0.10 1.54 -2.16 -2.11 0.00 0.00 174.94 172.32 2k25 s PRO 45 N 0.78 4.09 0.53 3.50 0.04 -1.26 -4.59 135.00 138.09 2k25 s PRO 45 Ca 0.62 1.92 0.33 0.00 0.04 0.00 0.00 61.00 63.90 2k25 s PRO 45 Cb -0.35 -3.94 1.37 0.00 0.04 0.00 0.00 34.50 31.61 2k25 s PRO 45 CO 0.32 -0.93 1.97 -1.00 0.04 0.00 0.00 177.00 177.40 2k25 h PRO 46 N 9.51 0.00 -0.53 0.56 0.13 -1.91 0.27 132.00 140.02 2k25 h PRO 46 Ca -0.35 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.72 2k25 h PRO 46 Cb 1.15 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 2k25 h PRO 46 CO 0.97 0.00 0.08 0.38 -0.23 0.00 0.00 178.00 179.20 2k25 h ASP 47 N 0.00 0.80 0.00 1.44 3.04 -2.01 -3.25 116.42 116.44 2k25 h ASP 47 Ca 0.00 -0.17 -0.11 0.00 -3.24 0.00 0.00 57.03 53.51 2k25 h ASP 47 Cb 0.48 -0.21 -0.02 0.00 -1.04 0.00 0.00 39.33 38.54 2k25 h ASP 47 CO 0.00 0.82 -1.74 1.67 -2.04 0.00 0.00 179.24 177.95 2k25 n GLN 48 N -4.25 1.19 -1.53 4.15 -0.06 -1.13 -5.01 117.38 110.75 2k25 n GLN 48 Ca 0.03 -0.06 -0.50 0.00 -2.00 0.00 0.00 57.00 54.47 2k25 n GLN 48 Cb 0.26 -1.32 -0.04 0.00 -4.06 0.00 0.00 30.24 25.08 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 -2.22 0.70 -3.90 3.69 7.27 0.93 -4.87 117.38 118.99 2k25 n GLN 49 Ca -0.11 0.25 -0.31 0.00 0.07 0.00 0.00 57.00 56.89 2k25 n GLN 49 Cb 0.63 -1.63 -0.04 0.00 2.41 0.00 0.00 30.24 31.61 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 -0.53 3.46 -0.18 3.69 0.52 -1.26 -4.93 118.95 119.72 2k25 s ARG 50 Ca 0.73 -0.40 -0.06 0.00 -0.52 0.00 0.00 55.73 55.48 2k25 s ARG 50 Cb -0.94 -3.02 -0.04 0.00 0.52 0.00 0.00 34.95 31.47 2k25 s ARG 50 CO 0.55 0.60 0.03 -1.17 0.02 0.00 0.00 175.30 175.33 2k25 s LEU 51 N -2.50 3.63 -0.12 2.53 1.98 -1.26 -3.51 118.68 119.43 2k25 s LEU 51 Ca 0.35 0.01 -0.01 0.00 -2.89 0.00 0.00 54.13 51.59 2k25 s LEU 51 Cb -0.13 -1.91 0.03 0.00 0.66 0.00 0.00 46.19 44.85 2k25 s LEU 51 CO 0.27 0.16 -0.02 -0.63 -1.89 0.00 0.00 176.35 174.25 2k25 s ILE 52 N 0.42 0.69 -0.10 6.68 1.09 -1.10 -0.74 121.20 128.14 2k25 s ILE 52 Ca 0.01 -0.22 0.02 0.00 -1.10 0.00 0.00 60.65 59.36 2k25 s ILE 52 Cb -0.13 -0.87 0.01 0.00 -1.06 0.00 0.00 42.46 40.42 2k25 s ILE 52 CO 0.01 0.19 -0.15 0.12 -0.10 0.00 0.00 174.94 175.01 2k25 s PHE 53 N 1.83 1.89 -1.40 3.97 5.36 0.86 -2.58 117.98 127.91 2k25 s PHE 53 Ca 0.03 -0.85 -0.01 0.00 -0.96 0.00 0.00 56.93 55.14 2k25 s PHE 53 Cb -0.14 -1.37 0.00 0.00 -0.34 0.00 0.00 43.02 41.18 2k25 s PHE 53 CO -0.07 -0.43 0.08 0.00 -1.46 0.00 0.00 175.22 173.34 2k25 n ALA 54 N 4.10 -0.75 0.00 11.12 0.00 -1.26 -0.04 120.51 133.69 2k25 n ALA 54 Ca -0.20 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2k25 n ALA 54 Cb 0.51 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.91 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 -0.97 2.42 3.66 0.00 0.00 -1.26 -5.01 105.19 104.03 2k25 n GLY 55 Ca -0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.31 4.08 0.56 1.61 2.20 0.95 -5.07 119.74 123.76 2k25 s LYS 56 Ca 0.00 -0.18 -0.15 0.00 -0.36 0.00 0.00 55.97 55.28 2k25 s LYS 56 Cb 0.00 -3.55 -0.06 0.00 -1.51 0.00 0.00 37.83 32.71 2k25 s LYS 56 CO 0.00 0.02 1.01 1.14 -0.36 0.00 0.00 175.35 177.16 2k25 s GLN 57 N 1.17 3.74 0.16 4.03 0.00 -1.26 -0.10 119.66 127.41 2k25 s GLN 57 Ca 0.10 0.92 0.03 0.00 -0.00 0.00 0.00 55.36 56.41 2k25 s GLN 57 Cb -0.14 -2.10 -0.01 0.00 0.00 0.00 0.00 33.01 30.76 2k25 s GLN 57 CO 0.06 -0.45 0.12 1.28 0.00 0.00 0.00 175.29 176.29 2k25 n LEU 58 N -2.03 0.00 0.00 2.60 4.32 0.08 -4.90 117.00 117.08 2k25 n LEU 58 Ca 0.07 -1.48 0.00 0.00 -0.02 0.00 0.00 56.01 54.58 2k25 n LEU 58 Cb 0.54 0.71 0.00 0.00 -1.62 0.00 0.00 43.42 43.05 2k25 n LEU 58 CO 0.50 -0.24 0.00 -0.62 -1.22 0.00 0.00 177.39 175.81 2k25 n GLU 59 N -0.33 0.00 -1.12 3.23 1.02 -1.26 -4.23 120.64 117.95 2k25 n GLU 59 Ca 0.02 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.81 2k25 n GLU 59 Cb 0.28 -0.09 0.08 0.00 -0.02 0.00 0.00 31.44 31.70 2k25 n GLU 59 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2k25 n ASP 60 N -2.28 -1.57 -3.75 1.62 8.00 -1.26 -4.98 116.55 112.32 2k25 n ASP 60 Ca 0.00 0.51 -0.30 0.00 0.71 0.00 0.00 54.79 55.71 2k25 n ASP 60 Cb 0.00 -1.20 -0.13 0.00 -0.02 0.00 0.00 41.12 39.76 2k25 n ASP 60 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2k25 s GLY 61 N -1.62 1.69 0.30 0.44 0.00 -1.26 -5.02 107.32 101.86 2k25 s GLY 61 Ca 0.62 -2.55 0.03 0.00 0.00 0.00 0.00 44.72 42.83 2k25 s GLY 61 CO 0.61 1.46 0.06 0.50 0.00 0.00 0.00 173.10 175.74 2k25 s ARG 62 N 0.47 1.57 0.90 2.90 0.52 -1.26 -4.88 118.95 119.17 2k25 s ARG 62 Ca 0.16 -1.86 -0.13 0.00 -0.52 0.00 0.00 55.73 53.38 2k25 s ARG 62 Cb -0.24 -0.70 0.13 0.00 0.52 0.00 0.00 34.95 34.66 2k25 s ARG 62 CO -0.03 -0.21 1.18 0.95 0.02 0.00 0.00 175.30 177.21 2k25 s THR 63 N -3.42 1.98 0.10 0.02 -4.23 -1.26 -4.52 115.64 104.31 2k25 s THR 63 Ca 0.36 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 60.74 2k25 s THR 63 Cb 0.08 -2.86 -0.14 0.00 1.34 0.00 0.00 72.50 70.93 2k25 s THR 63 CO 0.15 0.00 1.33 -0.07 -0.54 0.00 0.00 174.62 175.49 2k25 h LEU 64 N -1.42 0.90 -0.50 4.79 3.38 -1.69 -0.62 115.31 120.14 2k25 h LEU 64 Ca -0.48 -0.59 -0.17 0.00 0.09 0.00 0.00 57.88 56.73 2k25 h LEU 64 Cb 1.32 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 2k25 h LEU 64 CO 0.59 1.33 -0.69 -1.28 0.09 0.00 0.00 178.44 178.48 2k25 h SER 65 N 0.51 0.34 -0.06 -0.43 0.87 -1.84 0.45 113.55 113.38 2k25 h SER 65 Ca -0.02 -0.21 -0.22 0.00 -1.23 0.00 0.00 61.79 60.11 2k25 h SER 65 Cb 1.26 -0.10 0.01 0.00 -0.44 0.00 0.00 62.40 63.13 2k25 h SER 65 CO 0.13 0.92 -0.81 -0.33 -0.53 0.00 0.00 176.83 176.22 2k25 h GLU 66 N 0.20 0.66 -0.01 2.24 5.08 -1.77 -3.20 114.58 117.78 2k25 h GLU 66 Ca -0.02 -0.62 0.00 0.00 -1.00 0.00 0.00 59.36 57.72 2k25 h GLU 66 Cb 1.24 0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.65 2k25 h GLU 66 CO 0.11 1.23 -0.27 0.98 -1.00 0.00 0.00 179.01 180.06 2k25 n TYR 67 N -4.00 0.00 -2.68 4.33 4.19 -0.24 -4.93 117.16 113.82 2k25 n TYR 67 Ca -0.09 0.00 -0.14 0.00 3.31 0.00 0.00 57.90 60.98 2k25 n TYR 67 Cb 0.76 -0.13 -0.00 0.00 0.49 0.00 0.00 39.34 40.46 2k25 n TYR 67 CO 0.00 0.00 0.00 -1.71 0.91 0.00 0.00 176.86 176.06 2k25 n ASN 68 N -0.69 -3.52 -4.93 2.98 5.15 0.15 -4.93 115.26 109.47 2k25 n ASN 68 Ca 0.12 0.08 -0.25 0.00 -0.60 0.00 0.00 54.58 53.93 2k25 n ASN 68 Cb 0.35 -2.99 -0.01 0.00 -0.53 0.00 0.00 39.78 36.60 2k25 n ASN 68 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 2k25 s ILE 69 N -2.62 4.95 -0.48 -1.44 -4.36 -0.94 -5.00 121.20 111.31 2k25 s ILE 69 Ca 0.10 -0.28 0.03 0.00 -0.26 0.00 0.00 60.65 60.23 2k25 s ILE 69 Cb -0.05 -3.83 0.61 0.00 1.25 0.00 0.00 42.46 40.44 2k25 s ILE 69 CO 0.12 -0.62 1.92 0.00 0.24 0.00 0.00 174.94 176.61 2k25 n GLN 70 N -1.95 2.29 0.25 0.37 1.13 -1.26 -4.53 117.38 113.68 2k25 n GLN 70 Ca -0.03 -2.97 0.17 0.00 -1.94 0.00 0.00 57.00 52.23 2k25 n GLN 70 Cb 0.56 -2.16 0.87 0.00 0.11 0.00 0.00 30.24 29.61 2k25 n GLN 70 CO 0.00 0.00 0.00 -0.22 -1.44 0.00 0.00 177.06 175.40 2k25 h LYS 71 N 1.16 0.00 -3.44 -1.09 3.64 -1.94 -3.31 116.57 111.59 2k25 h LYS 71 Ca 0.62 0.00 -0.52 0.00 -1.27 0.00 0.00 60.65 59.47 2k25 h LYS 71 Cb 2.45 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 34.29 2k25 h LYS 71 CO 1.17 0.00 3.03 -0.85 -2.27 0.00 0.00 179.45 180.53 2k25 n GLU 72 N -2.69 2.62 0.00 1.90 0.28 -1.26 -3.95 120.64 117.54 2k25 n GLU 72 Ca -0.02 -1.82 0.00 0.00 -0.16 0.00 0.00 57.16 55.16 2k25 n GLU 72 Cb 0.09 -2.67 0.00 0.00 1.43 0.00 0.00 31.44 30.29 2k25 n GLU 72 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2k25 n SER 73 N 4.45 0.00 -3.72 -1.84 2.88 -1.25 -5.11 113.62 109.04 2k25 n SER 73 Ca 0.57 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.83 2k25 n SER 73 Cb 0.21 0.09 -0.16 0.00 -0.75 0.00 0.00 64.21 63.59 2k25 n SER 73 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2k25 s THR 74 N -0.18 0.45 0.04 2.46 2.01 -1.25 -4.39 115.64 114.77 2k25 s THR 74 Ca 0.00 -0.54 0.04 0.00 0.31 0.00 0.00 61.69 61.50 2k25 s THR 74 Cb 0.00 -0.99 -0.02 0.00 0.01 0.00 0.00 72.50 71.49 2k25 s THR 74 CO 0.00 -0.25 -0.13 -0.76 -0.69 0.00 0.00 174.62 172.80 2k25 s LEU 75 N 1.89 2.19 -0.21 4.42 2.01 -1.16 -4.50 118.68 123.33 2k25 s LEU 75 Ca -0.00 -0.48 -0.03 0.00 0.01 0.00 0.00 54.13 53.63 2k25 s LEU 75 Cb -0.17 -0.50 0.07 0.00 0.01 0.00 0.00 46.19 45.60 2k25 s LEU 75 CO -0.09 -0.02 0.06 -1.00 1.01 0.00 0.00 176.35 176.30 2k25 s HIS 76 N -0.97 0.97 -0.37 0.29 3.76 -1.07 -3.70 115.29 114.21 2k25 s HIS 76 Ca -0.01 -0.91 0.01 0.00 -0.15 0.00 0.00 55.06 54.00 2k25 s HIS 76 Cb -0.08 -1.07 0.12 0.00 1.11 0.00 0.00 32.58 32.66 2k25 s HIS 76 CO 0.01 -0.65 0.15 -0.48 -0.85 0.00 0.00 174.74 172.93 2k25 s LEU 77 N 1.87 2.71 -0.16 0.89 2.34 -1.26 -2.69 118.68 122.39 2k25 s LEU 77 Ca 0.01 -2.13 -0.08 0.00 0.06 0.00 0.00 54.13 52.00 2k25 s LEU 77 Cb -0.17 -1.02 0.06 0.00 -0.56 0.00 0.00 46.19 44.50 2k25 s LEU 77 CO -0.12 -0.35 0.36 -0.69 -1.06 0.00 0.00 176.35 174.49 2k25 s VAL 78 N 0.98 -0.18 -0.25 1.48 1.01 -1.23 -4.77 120.40 117.45 2k25 s VAL 78 Ca 0.13 0.14 -0.03 0.00 0.00 0.00 0.00 61.98 62.22 2k25 s VAL 78 Cb -0.21 -0.56 0.01 0.00 0.00 0.00 0.00 36.38 35.63 2k25 s VAL 78 CO -0.12 0.06 -0.03 -0.22 0.00 0.00 0.00 175.10 174.79 2k25 s LEU 79 N 1.69 3.18 -0.77 3.92 0.20 -1.26 -4.53 118.68 121.11 2k25 s LEU 79 Ca -0.07 -0.66 -0.01 0.00 0.69 0.00 0.00 54.13 54.08 2k25 s LEU 79 Cb -0.10 -1.73 0.00 0.00 -0.43 0.00 0.00 46.19 43.94 2k25 s LEU 79 CO -0.11 -0.10 0.65 -1.14 -0.29 0.00 0.00 176.35 175.35 2k25 n ARG 80 N 4.75 -1.47 -0.70 1.98 0.63 -1.26 -4.91 116.66 115.69 2k25 n ARG 80 Ca -0.17 1.13 -0.33 0.00 -0.92 0.00 0.00 57.85 57.56 2k25 n ARG 80 Cb 0.49 -3.88 0.16 0.00 0.45 0.00 0.00 32.46 29.68 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 -2.14 -2.37 0.00 6.15 -0.00 -1.26 -5.00 117.00 112.37 2k25 n LEU 81 Ca -0.17 -0.11 0.00 0.00 -0.00 0.00 0.00 56.01 55.73 2k25 n LEU 81 Cb 0.60 -0.92 0.00 0.00 -0.00 0.00 0.00 43.42 43.10 2k25 n LEU 81 CO 0.59 -3.04 0.00 0.54 -0.00 0.00 0.00 177.39 175.47 2k25 n ARG 82 N -1.73 0.00 0.00 1.47 1.74 -1.26 -5.08 116.66 111.79 2k25 n ARG 82 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2k25 n ARG 82 Cb 0.63 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.07 2k25 n ARG 82 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2k25 n GLY 83 N 1.61 1.73 3.64 -0.13 0.00 -1.26 -5.17 105.19 105.61 2k25 n GLY 83 Ca 0.00 -0.67 -0.04 0.00 0.00 0.00 0.00 46.02 45.31 2k25 n GLY 83 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2k25 s TYR 84 N 0.00 -0.80 0.11 1.61 5.04 -1.26 -5.13 117.35 116.92 2k25 s TYR 84 Ca 0.00 1.59 0.03 0.00 -2.44 0.00 0.00 57.07 56.25 2k25 s TYR 84 Cb 0.00 0.48 -0.04 0.00 0.35 0.00 0.00 41.96 42.75 2k25 s TYR 84 CO 0.00 -0.40 -0.08 0.00 -1.34 0.00 0.00 175.55 173.73 2k25 s ALA 85 N 1.55 1.16 0.31 3.97 0.00 -1.26 -3.98 121.76 123.50 2k25 s ALA 85 Ca -0.09 -1.35 -0.15 0.00 0.00 0.00 0.00 51.96 50.36 2k25 s ALA 85 Cb -0.05 0.09 0.02 0.00 0.00 0.00 0.00 23.12 23.19 2k25 s ALA 85 CO -0.17 -0.14 0.65 -0.51 0.00 0.00 0.00 175.76 175.59 2k25 s ASP 86 N -2.94 0.00 -0.15 0.00 1.01 -1.26 -5.07 116.67 108.27 2k25 s ASP 86 Ca 0.12 -0.95 0.17 0.00 0.71 0.00 0.00 52.55 52.60 2k25 s ASP 86 Cb 0.02 0.72 0.44 0.00 1.01 0.00 0.00 42.92 45.12 2k25 s ASP 86 CO -0.02 -1.40 1.19 0.00 0.21 0.00 0.00 175.17 175.15 2k25 n LEU 87 N -0.48 2.23 -3.56 1.23 -0.00 -1.26 -4.89 117.00 110.27 2k25 n LEU 87 Ca -0.04 -3.22 -0.15 0.00 -0.00 0.00 0.00 56.01 52.60 2k25 n LEU 87 Cb 0.60 -0.21 -0.06 0.00 -0.00 0.00 0.00 43.42 43.75 2k25 n LEU 87 CO 0.22 1.12 0.54 -0.60 -0.00 0.00 0.00 177.39 178.67 2k25 s ARG 88 N -2.16 0.87 -1.46 1.47 3.52 -1.26 -4.94 118.95 114.99 2k25 s ARG 88 Ca 0.37 0.38 -0.07 0.00 -0.13 0.00 0.00 55.73 56.28 2k25 s ARG 88 Cb 0.38 0.41 0.03 0.00 -1.56 0.00 0.00 34.95 34.21 2k25 s ARG 88 CO -0.09 -0.24 0.66 0.39 -0.81 0.00 0.00 175.30 175.21 2k25 n GLU 89 N 1.27 -4.80 -3.43 5.12 1.02 -1.26 -4.97 120.64 113.59 2k25 n GLU 89 Ca -0.16 0.75 -0.23 0.00 -0.02 0.00 0.00 57.16 57.50 2k25 n GLU 89 Cb 0.57 -5.59 -0.01 0.00 -0.02 0.00 0.00 31.44 26.39 2k25 n GLU 89 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2k25 s ASP 90 N -2.82 6.25 -0.34 1.62 1.01 -1.26 -5.03 116.67 116.11 2k25 s ASP 90 Ca 0.39 0.37 -0.29 0.00 0.71 0.00 0.00 52.55 53.73 2k25 s ASP 90 Cb -0.19 -1.95 -0.01 0.00 1.01 0.00 0.00 42.92 41.78 2k25 s ASP 90 CO 0.48 -0.30 1.69 -2.16 0.21 0.00 0.00 175.17 175.10 2k25 s PRO 91 N -4.28 3.44 -0.28 8.23 0.04 -1.26 -4.93 135.00 135.94 2k25 s PRO 91 Ca 0.40 1.34 -0.26 0.00 0.04 0.00 0.00 61.00 62.52 2k25 s PRO 91 Cb -0.10 -4.14 0.17 0.00 0.04 0.00 0.00 34.50 30.47 2k25 s PRO 91 CO 0.35 -1.73 1.28 0.16 0.04 0.00 0.00 177.00 177.10 2k25 s ASP 92 N 5.41 -0.20 0.08 6.66 1.47 -1.26 -4.60 116.67 124.24 2k25 s ASP 92 Ca 0.75 0.36 0.00 0.00 1.18 0.00 0.00 52.55 54.84 2k25 s ASP 92 Cb -0.21 0.36 -0.00 0.00 -0.34 0.00 0.00 42.92 42.73 2k25 s ASP 92 CO 0.33 -0.08 0.00 0.54 0.68 0.00 0.00 175.17 176.65 2k25 n ARG 93 N 1.66 1.71 -4.73 2.11 1.74 -1.26 -5.17 116.66 112.71 2k25 n ARG 93 Ca -0.10 -0.62 -0.32 0.00 -0.77 0.00 0.00 57.85 56.03 2k25 n ARG 93 Cb 0.57 0.18 -0.08 0.00 -1.02 0.00 0.00 32.46 32.11 2k25 n ARG 93 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 2k25 s GLN 94 N -2.31 2.15 0.32 5.56 -2.07 -1.26 -5.17 119.66 116.89 2k25 s GLN 94 Ca 0.00 -2.36 0.01 0.00 -1.82 0.00 0.00 55.36 51.19 2k25 s GLN 94 Cb 0.00 -1.46 -0.00 0.00 -1.09 0.00 0.00 33.01 30.46 2k25 s GLN 94 CO 0.00 -0.35 0.04 -0.25 -1.32 0.00 0.00 175.29 173.41 2k25 n ASP 95 N -1.24 2.27 -3.78 12.60 8.00 -1.26 -5.18 116.55 127.96 2k25 n ASP 95 Ca -0.17 -2.48 -0.10 0.00 0.71 0.00 0.00 54.79 52.75 2k25 n ASP 95 Cb 0.67 0.41 -0.06 0.00 -0.02 0.00 0.00 41.12 42.12 2k25 n ASP 95 CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 2k25 s HIS 96 N -2.36 0.03 -0.35 1.24 -3.43 -1.26 -5.11 115.29 104.05 2k25 s HIS 96 Ca 0.05 -0.41 -0.02 0.00 -0.80 0.00 0.00 55.06 53.89 2k25 s HIS 96 Cb 0.00 0.08 0.26 0.00 -1.43 0.00 0.00 32.58 31.50 2k25 s HIS 96 CO 0.04 -0.64 1.17 1.58 -2.00 0.00 0.00 174.74 174.89 2k25 n HIS 97 N -0.15 -0.91 -2.08 0.38 -0.00 -1.26 -5.16 115.22 106.03 2k25 n HIS 97 Ca -0.14 -0.82 -0.34 0.00 0.46 0.00 0.00 57.72 56.88 2k25 n HIS 97 Cb 0.63 1.15 0.02 0.00 -0.12 0.00 0.00 29.99 31.67 2k25 n HIS 97 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 2k25 s PRO 98 N 0.30 3.16 0.00 1.57 0.04 -1.26 -5.02 135.00 133.79 2k25 s PRO 98 Ca 0.26 1.54 0.00 0.00 0.04 0.00 0.00 61.00 62.84 2k25 s PRO 98 Cb 0.19 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.75 2k25 s PRO 98 CO -0.10 -0.99 0.00 0.41 0.04 0.00 0.00 177.00 176.36 2k25 n GLY 99 N -0.08 -2.01 3.52 0.56 0.00 -1.26 -5.16 105.19 100.76 2k25 n GLY 99 Ca 0.11 1.04 -0.10 0.00 0.00 0.00 0.00 46.02 47.08 2k25 n GLY 99 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k25 s SER 100 N 0.00 -0.75 0.00 1.61 0.01 -1.26 -5.14 113.70 108.16 2k25 s SER 100 Ca 0.00 1.29 0.00 0.00 1.31 0.00 0.00 55.95 58.55 2k25 s SER 100 Cb 0.00 1.21 0.00 0.00 0.21 0.00 0.00 66.02 67.44 2k25 s SER 100 CO 0.00 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.04 2k25 n GLY 101 N 3.79 3.46 3.24 3.44 0.00 -1.26 -5.00 105.19 112.87 2k25 n GLY 101 Ca -0.19 -0.24 -0.23 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.09 1.00 4.61 0.00 -1.26 -5.38 120.51 115.39 2k25 n ALA 102 Ca 0.00 0.31 0.08 0.00 0.00 0.00 0.00 53.44 53.83 2k25 n ALA 102 Cb 0.00 -4.33 0.48 0.00 0.00 0.00 0.00 19.45 15.60 2k25 n ALA 102 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54