#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fs1 n GLU 2 N 0.00 0.00 -3.60 2.12 1.02 -1.26 -5.14 120.64 113.78 2fs1 n GLU 2 Ca 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.12 2fs1 n GLU 2 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.36 2fs1 n GLU 2 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2fs1 s ALA 3 N -2.00 -2.30 -0.16 0.62 0.00 -1.26 -5.05 121.76 111.61 2fs1 s ALA 3 Ca 0.00 2.21 0.10 0.00 0.00 0.00 0.00 51.96 54.27 2fs1 s ALA 3 Cb 0.00 -1.75 0.26 0.00 0.00 0.00 0.00 23.12 21.63 2fs1 s ALA 3 CO 0.00 -0.49 1.24 1.33 0.00 0.00 0.00 175.76 177.84 2fs1 n VAL 4 N 4.08 0.14 0.31 0.00 0.24 -1.26 -4.93 118.33 116.91 2fs1 n VAL 4 Ca -0.17 -0.82 0.19 0.00 -2.04 0.00 0.00 64.34 61.51 2fs1 n VAL 4 Cb 0.56 0.84 1.03 0.00 -1.47 0.00 0.00 33.84 34.81 2fs1 n VAL 4 CO 0.00 0.00 0.00 -2.24 -2.14 0.00 0.00 176.83 172.45 2fs1 h ASP 5 N 0.78 0.00 -0.94 -1.34 2.03 -2.01 -2.05 116.42 112.90 2fs1 h ASP 5 Ca -0.44 0.00 0.25 0.00 -0.73 0.00 0.00 57.03 56.11 2fs1 h ASP 5 Cb 1.41 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 39.85 2fs1 h ASP 5 CO -0.15 0.00 0.65 0.00 -1.03 0.00 0.00 179.24 178.70 2fs1 h ALA 6 N 1.84 2.57 -0.10 4.15 0.00 -1.99 0.14 119.26 125.86 2fs1 h ALA 6 Ca 0.02 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 2fs1 h ALA 6 Cb 0.21 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2fs1 h ALA 6 CO -0.00 -0.86 -0.08 -0.97 0.00 0.00 0.00 179.25 177.34 2fs1 h ASN 7 N 0.19 0.24 -0.08 0.00 -1.24 -1.80 -2.54 115.58 110.35 2fs1 h ASN 7 Ca 0.47 -0.46 -0.03 0.00 0.71 0.00 0.00 56.30 56.99 2fs1 h ASN 7 Cb 1.54 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 40.51 2fs1 h ASN 7 CO -0.10 0.65 -0.02 -1.28 -1.29 0.00 0.00 177.43 175.39 2fs1 h SER 8 N -0.17 0.25 -0.39 1.15 0.87 -1.22 -2.39 113.55 111.65 2fs1 h SER 8 Ca 0.02 -0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.52 2fs1 h SER 8 Cb 0.57 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.45 2fs1 h SER 8 CO 0.02 0.31 0.16 0.25 -0.53 0.00 0.00 176.83 177.05 2fs1 h LEU 9 N 0.26 0.54 -2.26 2.23 6.46 -0.96 -2.30 115.31 119.28 2fs1 h LEU 9 Ca 0.06 -0.16 0.00 0.00 -0.12 0.00 0.00 57.88 57.66 2fs1 h LEU 9 Cb 0.22 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.01 2fs1 h LEU 9 CO 0.01 0.55 0.00 0.00 -0.62 0.00 0.00 178.44 178.38 2fs1 h ALA 10 N 1.01 1.00 0.11 1.25 0.00 -1.00 -2.73 119.26 118.90 2fs1 h ALA 10 Ca 0.13 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.89 2fs1 h ALA 10 Cb 0.18 0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.99 2fs1 h ALA 10 CO -0.01 0.00 -0.66 0.37 0.00 0.00 0.00 179.25 178.94 2fs1 h GLN 11 N 0.00 0.25 -1.02 0.00 4.15 -1.29 0.48 115.11 117.68 2fs1 h GLN 11 Ca 0.00 -0.42 0.25 0.00 0.77 0.00 0.00 58.65 59.25 2fs1 h GLN 11 Cb 0.16 0.16 -0.10 0.00 0.21 0.00 0.00 27.48 27.91 2fs1 h GLN 11 CO 0.00 1.20 0.65 0.00 -1.93 0.00 0.00 178.83 178.75 2fs1 h ALA 12 N 0.07 2.12 0.00 3.38 0.00 -1.29 1.76 119.26 125.31 2fs1 h ALA 12 Ca -0.12 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2fs1 h ALA 12 Cb 1.52 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.32 2fs1 h ALA 12 CO 0.12 -0.52 -0.46 1.57 0.00 0.00 0.00 179.25 179.97 2fs1 h LYS 13 N 0.46 0.00 -1.17 0.00 2.10 -1.60 -1.94 116.57 114.41 2fs1 h LYS 13 Ca 0.58 0.00 0.35 0.00 -2.00 0.00 0.00 60.65 59.58 2fs1 h LYS 13 Cb 1.37 0.00 -0.11 0.00 -0.90 0.00 0.00 32.23 32.59 2fs1 h LYS 13 CO -0.31 0.15 0.75 0.93 -2.00 0.00 0.00 179.45 178.97 2fs1 h GLU 14 N -1.00 0.23 0.07 0.07 4.39 0.37 2.91 114.58 121.62 2fs1 h GLU 14 Ca -0.04 -0.01 -0.24 0.00 0.34 0.00 0.00 59.36 59.41 2fs1 h GLU 14 Cb 0.50 -0.05 0.02 0.00 -0.10 0.00 0.00 28.75 29.12 2fs1 h GLU 14 CO -0.02 0.15 -0.97 0.00 -1.16 0.00 0.00 179.01 177.01 2fs1 h ALA 15 N 1.62 0.02 0.00 3.43 0.00 0.25 -2.97 119.26 121.61 2fs1 h ALA 15 Ca 0.71 -0.69 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2fs1 h ALA 15 Cb 2.04 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.90 2fs1 h ALA 15 CO -0.36 0.54 -0.26 0.00 0.00 0.00 0.00 179.25 179.17 2fs1 h ALA 16 N 0.28 1.13 0.00 0.00 0.00 0.16 -2.21 119.26 118.61 2fs1 h ALA 16 Ca -0.14 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.43 2fs1 h ALA 16 Cb 1.68 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 2fs1 h ALA 16 CO 0.19 0.33 -0.45 0.82 0.00 0.00 0.00 179.25 180.13 2fs1 h ILE 17 N 0.00 1.18 0.00 0.00 2.04 0.48 -1.90 117.51 119.31 2fs1 h ILE 17 Ca -0.00 -1.62 -0.05 0.00 1.00 0.00 0.00 64.86 64.19 2fs1 h ILE 17 Cb 0.67 1.91 -0.01 0.00 -0.74 0.00 0.00 36.82 38.65 2fs1 h ILE 17 CO 0.03 0.44 -0.25 0.11 0.00 0.00 0.00 178.15 178.49 2fs1 h LYS 18 N 0.00 0.00 0.17 2.37 1.57 -1.23 -2.87 116.57 116.58 2fs1 h LYS 18 Ca -0.00 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.43 2fs1 h LYS 18 Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.19 2fs1 h LYS 18 CO 0.06 0.25 -1.70 0.93 -0.57 0.00 0.00 179.45 178.41 2fs1 h GLU 19 N 0.00 0.36 -0.20 3.15 3.07 -1.39 -2.23 114.58 117.33 2fs1 h GLU 19 Ca -0.00 -0.61 -0.04 0.00 -0.50 0.00 0.00 59.36 58.21 2fs1 h GLU 19 Cb 1.03 0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 29.16 2fs1 h GLU 19 CO 0.03 1.26 -0.04 1.25 -1.40 0.00 0.00 179.01 180.12 2fs1 h LEU 20 N 0.10 0.28 0.09 1.33 6.46 -1.38 0.90 115.31 123.09 2fs1 h LEU 20 Ca -0.32 -0.04 -0.28 0.00 -0.12 0.00 0.00 57.88 57.12 2fs1 h LEU 20 Cb 2.08 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 41.93 2fs1 h LEU 20 CO 0.17 0.36 -1.33 0.07 -0.62 0.00 0.00 178.44 177.10 2fs1 h LYS 21 N 0.29 0.20 0.00 1.25 5.09 -1.60 -0.92 116.57 120.88 2fs1 h LYS 21 Ca 0.07 -0.34 -0.14 0.00 0.09 0.00 0.00 60.65 60.32 2fs1 h LYS 21 Cb 0.26 0.13 -0.02 0.00 0.10 0.00 0.00 32.23 32.70 2fs1 h LYS 21 CO 0.01 1.10 -0.68 1.96 -2.09 0.00 0.00 179.45 179.75 2fs1 h GLN 22 N 0.05 0.00 0.14 0.07 4.20 -0.76 -3.26 115.11 115.56 2fs1 h GLN 22 Ca -0.16 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.32 2fs1 h GLN 22 Cb 1.96 0.00 0.02 0.00 0.30 0.00 0.00 27.48 29.75 2fs1 h GLN 22 CO 0.17 0.68 -1.05 1.88 -0.67 0.00 0.00 178.83 179.84 2fs1 h TYR 23 N 0.00 0.55 0.00 2.96 0.05 0.76 -3.49 116.97 117.80 2fs1 h TYR 23 Ca -0.01 -0.40 0.00 0.00 0.05 0.00 0.00 58.73 58.37 2fs1 h TYR 23 Cb 1.26 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.98 2fs1 h TYR 23 CO 0.00 1.41 0.00 0.41 -1.05 0.00 0.00 178.16 178.93 2fs1 n GLY 24 N 1.69 0.73 3.17 3.88 0.00 -0.38 -5.07 105.19 109.22 2fs1 n GLY 24 Ca -0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 2fs1 n GLY 24 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2fs1 n ILE 25 N -1.05 0.00 -2.24 -0.61 5.41 -1.05 -4.88 119.36 114.95 2fs1 n ILE 25 Ca 0.00 -0.20 -0.37 0.00 1.00 0.00 0.00 62.75 63.18 2fs1 n ILE 25 Cb 0.00 -0.43 -0.01 0.00 -0.71 0.00 0.00 39.64 38.49 2fs1 n ILE 25 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 2fs1 s GLY 26 N -1.62 2.81 0.63 7.39 0.00 -1.26 -4.88 107.32 110.39 2fs1 s GLY 26 Ca 0.49 0.97 0.36 0.00 0.00 0.00 0.00 44.72 46.54 2fs1 s GLY 26 CO 0.63 1.45 2.26 1.29 0.00 0.00 0.00 173.10 178.73 2fs1 h ASP 27 N 2.20 0.00 -0.79 1.64 3.04 -1.95 -2.31 116.42 118.26 2fs1 h ASP 27 Ca -0.49 0.00 0.18 0.00 -3.24 0.00 0.00 57.03 53.48 2fs1 h ASP 27 Cb 1.25 0.00 -0.12 0.00 -1.04 0.00 0.00 39.33 39.42 2fs1 h ASP 27 CO 0.61 0.00 0.21 0.22 -2.04 0.00 0.00 179.24 178.23 2fs1 h TYR 28 N 0.00 0.32 0.10 4.15 5.03 -1.99 -0.96 116.97 123.63 2fs1 h TYR 28 Ca 0.01 0.04 -0.01 0.00 2.58 0.00 0.00 58.73 61.36 2fs1 h TYR 28 Cb 0.13 -0.02 0.00 0.00 1.55 0.00 0.00 36.73 38.39 2fs1 h TYR 28 CO 0.00 -0.11 -0.05 1.88 -1.32 0.00 0.00 178.16 178.56 2fs1 h TYR 29 N 0.27 -0.13 -0.98 -3.82 0.05 -1.80 0.83 116.97 111.40 2fs1 h TYR 29 Ca 0.46 -0.00 0.28 0.00 0.05 0.00 0.00 58.73 59.52 2fs1 h TYR 29 Cb 0.82 0.04 -0.04 0.00 1.01 0.00 0.00 36.73 38.57 2fs1 h TYR 29 CO -0.26 0.39 0.74 0.97 -1.05 0.00 0.00 178.16 178.95 2fs1 h ILE 30 N -0.83 0.45 0.00 -2.88 -0.00 -1.57 0.55 117.51 113.23 2fs1 h ILE 30 Ca -0.01 0.00 -0.11 0.00 -0.00 0.00 0.00 64.86 64.74 2fs1 h ILE 30 Cb 0.57 0.48 -0.01 0.00 -0.00 0.00 0.00 36.82 37.85 2fs1 h ILE 30 CO 0.02 0.00 -0.57 0.11 -0.00 0.00 0.00 178.15 177.71 2fs1 h LYS 31 N 0.00 0.01 0.00 2.19 1.79 -1.09 -3.27 116.57 116.19 2fs1 h LYS 31 Ca 0.46 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.92 2fs1 h LYS 31 Cb 1.93 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.59 2fs1 h LYS 31 CO -0.00 1.01 0.35 1.37 -1.08 0.00 0.00 179.45 181.09 2fs1 h LEU 32 N -0.98 0.00 0.09 2.94 -0.00 0.28 -0.67 115.31 116.96 2fs1 h LEU 32 Ca -0.16 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.72 2fs1 h LEU 32 Cb 1.15 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.81 2fs1 h LEU 32 CO -0.09 0.00 -0.05 0.40 -0.00 0.00 0.00 178.44 178.71 2fs1 h ILE 33 N 0.00 0.52 -0.28 0.15 2.04 -1.12 -3.28 117.51 115.53 2fs1 h ILE 33 Ca 0.00 -1.22 0.08 0.00 1.00 0.00 0.00 64.86 64.72 2fs1 h ILE 33 Cb 0.70 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 2fs1 h ILE 33 CO 0.00 0.16 0.47 -1.13 0.00 0.00 0.00 178.15 177.65 2fs1 h ASN 34 N -0.99 0.00 1.27 1.72 -0.73 -1.18 0.48 115.58 116.15 2fs1 h ASN 34 Ca -0.01 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.14 2fs1 h ASN 34 Cb 0.36 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 38.95 2fs1 h ASN 34 CO 0.02 0.00 -0.08 0.78 -0.37 0.00 0.00 177.43 177.78 2fs1 h ASN 35 N 0.00 0.00 -3.66 1.15 4.21 -1.54 -3.46 115.58 112.29 2fs1 h ASN 35 Ca 0.13 0.00 -0.53 0.00 1.21 0.00 0.00 56.30 57.11 2fs1 h ASN 35 Cb 1.07 0.00 0.21 0.00 -1.12 0.00 0.00 38.32 38.47 2fs1 h ASN 35 CO -0.00 0.08 -0.29 0.00 -1.29 0.00 0.00 177.43 175.93 2fs1 n ALA 36 N -2.13 -1.82 -0.06 -0.83 0.00 0.17 -4.96 120.51 110.88 2fs1 n ALA 36 Ca 0.01 -0.53 -0.06 0.00 0.00 0.00 0.00 53.44 52.87 2fs1 n ALA 36 Cb 0.41 -1.94 -0.10 0.00 0.00 0.00 0.00 19.45 17.83 2fs1 n ALA 36 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2fs1 n LYS 37 N -2.31 2.02 0.00 0.00 0.00 -1.26 -5.02 118.16 111.58 2fs1 n LYS 37 Ca 0.09 -0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.39 2fs1 n LYS 37 Cb 0.52 -1.31 0.00 0.00 -0.00 0.00 0.00 35.03 34.24 2fs1 n LYS 37 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2fs1 n THR 38 N -2.45 0.00 0.00 0.58 -2.24 -1.26 -5.11 114.28 103.80 2fs1 n THR 38 Ca -0.20 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 2fs1 n THR 38 Cb 0.89 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.91 2fs1 n THR 38 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 2fs1 n VAL 39 N 0.00 0.00 -0.32 2.28 3.14 -1.26 -4.66 118.33 117.50 2fs1 n VAL 39 Ca 0.00 0.00 0.16 0.00 -2.96 0.00 0.00 64.34 61.54 2fs1 n VAL 39 Cb 0.00 -0.38 0.36 0.00 -1.06 0.00 0.00 33.84 32.76 2fs1 n VAL 39 CO 0.00 0.00 0.00 -0.08 -6.46 0.00 0.00 176.83 170.29 2fs1 h GLU 40 N 0.00 0.41 0.00 1.45 4.81 -1.99 0.61 114.58 119.87 2fs1 h GLU 40 Ca 0.00 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.11 2fs1 h GLU 40 Cb 0.23 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 2fs1 h GLU 40 CO 0.00 0.27 -0.47 0.78 -0.73 0.00 0.00 179.01 178.86 2fs1 h GLY 41 N 0.42 0.00 0.86 1.92 0.00 -1.97 -3.16 103.07 101.14 2fs1 h GLY 41 Ca 0.62 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.92 2fs1 h GLY 41 CO -0.54 0.00 -0.25 -2.08 0.00 0.00 0.00 176.54 173.67 2fs1 h VAL 42 N 0.00 0.44 -0.50 4.60 2.07 -0.06 1.10 116.25 123.91 2fs1 h VAL 42 Ca -0.00 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 2fs1 h VAL 42 Cb 1.26 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 2fs1 h VAL 42 CO 0.06 0.03 0.29 1.05 0.02 0.00 0.00 177.57 179.03 2fs1 h GLU 43 N -0.86 0.68 0.00 1.57 4.11 -1.52 -1.69 114.58 116.87 2fs1 h GLU 43 Ca -0.07 -0.07 -0.04 0.00 0.07 0.00 0.00 59.36 59.25 2fs1 h GLU 43 Cb 0.60 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 2fs1 h GLU 43 CO 0.12 0.51 -0.19 0.66 0.07 0.00 0.00 179.01 180.18 2fs1 h SER 44 N 0.66 0.00 0.76 3.06 4.64 -1.53 -2.67 113.55 118.48 2fs1 h SER 44 Ca 0.18 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.46 2fs1 h SER 44 Cb 0.01 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2fs1 h SER 44 CO -0.03 0.19 -0.48 -0.07 -0.87 0.00 0.00 176.83 175.56 2fs1 h LEU 45 N 0.00 -1.22 -0.13 5.97 -0.00 0.22 0.49 115.31 120.65 2fs1 h LEU 45 Ca -0.00 0.07 -0.04 0.00 -0.00 0.00 0.00 57.88 57.91 2fs1 h LEU 45 Cb 0.76 0.36 -0.00 0.00 -0.00 0.00 0.00 40.66 41.78 2fs1 h LEU 45 CO 0.02 -0.73 -0.08 0.50 -0.00 0.00 0.00 178.44 178.15 2fs1 h LYS 46 N -1.17 0.28 -0.17 1.13 3.11 -1.57 -1.49 116.57 116.69 2fs1 h LYS 46 Ca -0.10 -0.13 0.05 0.00 -2.81 0.00 0.00 60.65 57.66 2fs1 h LYS 46 Cb 0.94 -0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.16 2fs1 h LYS 46 CO 0.09 0.63 0.13 -0.97 -2.81 0.00 0.00 179.45 176.53 2fs1 h ASN 47 N -0.07 0.00 0.19 4.20 -0.73 -1.47 0.38 115.58 118.09 2fs1 h ASN 47 Ca 0.03 0.00 -0.27 0.00 1.87 0.00 0.00 56.30 57.92 2fs1 h ASN 47 Cb 0.55 0.00 0.02 0.00 0.27 0.00 0.00 38.32 39.16 2fs1 h ASN 47 CO 0.02 0.00 -1.13 -0.08 -0.37 0.00 0.00 177.43 175.87 2fs1 h GLU 48 N 0.00 0.56 -0.00 6.67 4.57 0.22 -1.47 114.58 125.13 2fs1 h GLU 48 Ca 0.08 -0.69 -0.04 0.00 -1.18 0.00 0.00 59.36 57.53 2fs1 h GLU 48 Cb 0.35 0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 29.15 2fs1 h GLU 48 CO -0.00 1.29 -0.17 -0.84 -1.18 0.00 0.00 179.01 178.11 2fs1 h ILE 49 N 0.28 1.12 0.08 2.32 3.07 0.07 -1.87 117.51 122.58 2fs1 h ILE 49 Ca -0.15 -0.59 -0.25 0.00 1.55 0.00 0.00 64.86 65.42 2fs1 h ILE 49 Cb 1.79 1.32 -0.01 0.00 -0.27 0.00 0.00 36.82 39.65 2fs1 h ILE 49 CO 0.21 0.17 -1.15 -0.07 -1.05 0.00 0.00 178.15 176.26 2fs1 h LEU 50 N 0.00 0.27 -2.45 0.16 3.38 -0.95 -3.00 115.31 112.73 2fs1 h LEU 50 Ca -0.00 -0.29 0.02 0.00 0.09 0.00 0.00 57.88 57.70 2fs1 h LEU 50 Cb 0.31 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 2fs1 h LEU 50 CO 0.02 1.23 0.13 0.50 0.09 0.00 0.00 178.44 180.41 2fs1 h LYS 51 N 0.05 0.00 -1.99 1.13 3.64 -0.41 -3.02 116.57 115.97 2fs1 h LYS 51 Ca -0.09 0.00 -0.51 0.00 -1.27 0.00 0.00 60.65 58.79 2fs1 h LYS 51 Cb 1.90 0.00 -0.39 0.00 -0.41 0.00 0.00 32.23 33.32 2fs1 h LYS 51 CO 0.18 0.00 -1.16 0.00 -2.27 0.00 0.00 179.45 176.19 2fs1 n ALA 52 N -2.20 2.13 -2.41 5.00 0.00 -1.15 -5.10 120.51 116.78 2fs1 n ALA 52 Ca -0.01 -3.39 -0.39 0.00 0.00 0.00 0.00 53.44 49.65 2fs1 n ALA 52 Cb 0.22 -0.89 -0.05 0.00 0.00 0.00 0.00 19.45 18.72 2fs1 n ALA 52 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2fs1 s LEU 53 N -2.00 4.45 -1.08 0.00 0.20 -1.14 -4.93 118.68 114.18 2fs1 s LEU 53 Ca 0.38 1.29 -0.24 0.00 0.69 0.00 0.00 54.13 56.25 2fs1 s LEU 53 Cb 0.29 -3.04 -0.12 0.00 -0.43 0.00 0.00 46.19 42.89 2fs1 s LEU 53 CO -0.09 0.10 2.01 -2.16 -0.29 0.00 0.00 176.35 175.92 2fs1 s PRO 54 N -0.29 2.13 -0.22 0.98 0.04 -1.26 -4.83 135.00 131.55 2fs1 s PRO 54 Ca 0.33 -0.72 -0.03 0.00 0.04 0.00 0.00 61.00 60.62 2fs1 s PRO 54 Cb -0.19 -5.12 0.10 0.00 0.04 0.00 0.00 34.50 29.33 2fs1 s PRO 54 CO 0.20 -4.27 0.22 0.95 0.04 0.00 0.00 177.00 174.14 2fs1 s THR 55 N 12.56 -0.31 -2.97 1.26 -4.23 -1.26 -5.22 115.64 115.46 2fs1 s THR 55 Ca 0.74 -0.23 0.24 0.00 -1.18 0.00 0.00 61.69 61.26 2fs1 s THR 55 Cb -0.04 -0.75 0.21 0.00 1.34 0.00 0.00 72.50 73.26 2fs1 s THR 55 CO 0.12 -0.29 1.29 -0.62 -0.54 0.00 0.00 174.62 174.57