#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 -4.57 -3.08 0.03 2.13 -1.26 -5.00 120.64 108.89 2fs1 n GLU 2 Ca 0.00 0.85 -0.02 0.00 0.66 0.00 0.00 57.16 58.65 2fs1 n GLU 2 Cb 0.00 -5.83 -0.01 0.00 0.27 0.00 0.00 31.44 25.87 2fs1 n GLU 2 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2fs1 s ALA 3 N -3.38 -2.15 0.00 4.31 0.00 -1.26 -4.98 121.76 114.30 2fs1 s ALA 3 Ca 0.21 -0.08 0.07 0.00 0.00 0.00 0.00 51.96 52.16 2fs1 s ALA 3 Cb -0.03 -2.68 0.11 0.00 0.00 0.00 0.00 23.12 20.52 2fs1 s ALA 3 CO 0.74 -2.22 0.98 1.33 0.00 0.00 0.00 175.76 176.58 2fs1 n VAL 4 N 3.93 0.00 0.27 0.00 0.24 -1.26 -4.92 118.33 116.59 2fs1 n VAL 4 Ca 0.13 -0.26 0.14 0.00 -2.04 0.00 0.00 64.34 62.31 2fs1 n VAL 4 Cb 0.56 0.56 0.76 0.00 -1.47 0.00 0.00 33.84 34.25 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 0.26 0.00 -0.83 -1.34 3.04 -2.00 -2.65 116.42 112.88 2fs1 h ASP 5 Ca -0.37 0.00 0.12 0.00 -3.24 0.00 0.00 57.03 53.54 2fs1 h ASP 5 Cb 1.48 0.00 -0.06 0.00 -1.04 0.00 0.00 39.33 39.71 2fs1 h ASP 5 CO -0.13 0.10 0.54 0.00 -2.04 0.00 0.00 179.24 177.71 2fs1 h ALA 6 N 1.90 1.82 -0.17 4.15 0.00 -1.97 0.54 119.26 125.52 2fs1 h ALA 6 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2fs1 h ALA 6 Cb 0.30 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2fs1 h ALA 6 CO 0.01 -0.01 0.06 -0.97 0.00 0.00 0.00 179.25 178.33 2fs1 h ASN 7 N 0.69 0.25 0.41 0.00 -0.73 -1.89 0.11 115.58 114.43 2fs1 h ASN 7 Ca 0.40 -0.20 -0.13 0.00 1.87 0.00 0.00 56.30 58.24 2fs1 h ASN 7 Cb 0.59 -0.07 -0.01 0.00 0.27 0.00 0.00 38.32 39.10 2fs1 h ASN 7 CO -0.17 0.39 -0.57 -1.28 -0.37 0.00 0.00 177.43 175.43 2fs1 h SER 8 N 0.11 0.18 -0.27 1.15 0.87 -1.45 -3.04 113.55 111.10 2fs1 h SER 8 Ca 0.06 -0.10 -0.05 0.00 -1.23 0.00 0.00 61.79 60.46 2fs1 h SER 8 Cb 0.22 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.12 2fs1 h SER 8 CO -0.00 0.72 -0.05 0.25 -0.53 0.00 0.00 176.83 177.22 2fs1 h LEU 9 N 0.12 0.50 -2.31 2.23 6.46 0.27 -2.74 115.31 119.85 2fs1 h LEU 9 Ca -0.00 -0.35 -0.00 0.00 -0.12 0.00 0.00 57.88 57.40 2fs1 h LEU 9 Cb 1.04 -0.14 -0.00 0.00 -0.73 0.00 0.00 40.66 40.84 2fs1 h LEU 9 CO 0.08 0.74 -0.02 0.00 -0.62 0.00 0.00 178.44 178.62 2fs1 h ALA 10 N 0.78 1.07 0.12 1.25 0.00 -0.74 -2.86 119.26 118.89 2fs1 h ALA 10 Ca 0.07 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.76 2fs1 h ALA 10 Cb 0.51 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.31 2fs1 h ALA 10 CO 0.02 0.03 -0.93 0.37 0.00 0.00 0.00 179.25 178.74 2fs1 h GLN 11 N 0.00 0.26 -0.98 0.00 4.15 -1.40 0.26 115.11 117.41 2fs1 h GLN 11 Ca -0.00 -0.45 0.23 0.00 0.77 0.00 0.00 58.65 59.20 2fs1 h GLN 11 Cb 0.22 0.17 -0.08 0.00 0.21 0.00 0.00 27.48 27.99 2fs1 h GLN 11 CO 0.00 1.21 0.63 0.00 -1.93 0.00 0.00 178.83 178.75 2fs1 h ALA 12 N 0.03 2.15 0.00 3.38 0.00 -1.26 1.65 119.26 125.21 2fs1 h ALA 12 Ca -0.18 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 2fs1 h ALA 12 Cb 1.63 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.39 2fs1 h ALA 12 CO 0.11 -0.50 -0.71 1.57 0.00 0.00 0.00 179.25 179.72 2fs1 h LYS 13 N 0.45 0.00 -1.01 0.00 2.10 -1.62 -0.73 116.57 115.76 2fs1 h LYS 13 Ca 0.53 0.00 0.24 0.00 -2.00 0.00 0.00 60.65 59.43 2fs1 h LYS 13 Cb 1.27 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 32.51 2fs1 h LYS 13 CO -0.25 0.58 0.65 0.93 -2.00 0.00 0.00 179.45 179.36 2fs1 h GLU 14 N -1.00 0.43 0.06 0.07 5.08 0.01 0.97 114.58 120.20 2fs1 h GLU 14 Ca -0.15 -0.03 -0.27 0.00 -1.00 0.00 0.00 59.36 57.91 2fs1 h GLU 14 Cb 0.87 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 2fs1 h GLU 14 CO -0.09 0.29 -1.38 0.00 -1.00 0.00 0.00 179.01 176.83 2fs1 h ALA 15 N 1.62 0.37 0.00 3.43 0.00 0.23 -3.20 119.26 121.71 2fs1 h ALA 15 Ca 0.57 -1.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.32 2fs1 h ALA 15 Cb 1.36 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 2fs1 h ALA 15 CO -0.29 1.24 -0.34 0.00 0.00 0.00 0.00 179.25 179.86 2fs1 h ALA 16 N 0.74 1.01 0.05 0.00 0.00 0.14 -3.00 119.26 118.21 2fs1 h ALA 16 Ca -0.17 -0.31 -0.24 0.00 0.00 0.00 0.00 54.91 54.19 2fs1 h ALA 16 Cb 1.94 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.67 2fs1 h ALA 16 CO 0.14 0.43 -1.05 -0.84 0.00 0.00 0.00 179.25 177.93 2fs1 h ILE 17 N 0.00 1.50 -0.58 0.00 3.07 0.63 -3.10 117.51 119.03 2fs1 h ILE 17 Ca -0.00 -2.85 0.03 0.00 1.55 0.00 0.00 64.86 63.59 2fs1 h ILE 17 Cb 0.86 2.69 -0.03 0.00 -0.27 0.00 0.00 36.82 40.07 2fs1 h ILE 17 CO 0.04 0.83 0.39 0.50 -1.05 0.00 0.00 178.15 178.86 2fs1 h LYS 18 N 0.11 0.65 -0.28 0.16 3.64 -1.52 -0.27 116.57 119.06 2fs1 h LYS 18 Ca -0.08 -0.04 -0.14 0.00 -1.27 0.00 0.00 60.65 59.11 2fs1 h LYS 18 Cb 1.74 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 33.40 2fs1 h LYS 18 CO 0.17 0.43 -0.41 0.93 -2.27 0.00 0.00 179.45 178.30 2fs1 h GLU 19 N 0.67 0.68 -0.27 1.90 4.39 -1.53 0.15 114.58 120.57 2fs1 h GLU 19 Ca 0.24 -0.36 -0.03 0.00 0.34 0.00 0.00 59.36 59.55 2fs1 h GLU 19 Cb 0.10 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 2fs1 h GLU 19 CO -0.06 0.97 0.02 1.25 -1.16 0.00 0.00 179.01 180.03 2fs1 h LEU 20 N 0.55 0.37 0.19 1.33 5.85 -1.02 0.93 115.31 123.51 2fs1 h LEU 20 Ca 0.04 -0.05 -0.31 0.00 0.84 0.00 0.00 57.88 58.40 2fs1 h LEU 20 Cb 0.95 -0.10 0.03 0.00 0.37 0.00 0.00 40.66 41.91 2fs1 h LEU 20 CO 0.09 0.41 -1.37 0.50 -0.34 0.00 0.00 178.44 177.73 2fs1 h LYS 21 N 0.39 0.45 -0.01 1.25 3.64 -0.88 0.33 116.57 121.74 2fs1 h LYS 21 Ca 0.09 -0.75 -0.12 0.00 -1.27 0.00 0.00 60.65 58.60 2fs1 h LYS 21 Cb 0.23 0.28 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 2fs1 h LYS 21 CO 0.00 1.35 -0.57 0.37 -2.27 0.00 0.00 179.45 178.34 2fs1 h GLN 22 N 0.14 0.04 0.16 1.90 4.15 -0.11 -3.19 115.11 118.19 2fs1 h GLN 22 Ca -0.20 -0.03 -0.24 0.00 0.77 0.00 0.00 58.65 58.95 2fs1 h GLN 22 Cb 2.07 0.00 0.02 0.00 0.21 0.00 0.00 27.48 29.78 2fs1 h GLN 22 CO 0.25 0.60 -1.10 1.88 -1.93 0.00 0.00 178.83 178.52 2fs1 h TYR 23 N 0.03 0.63 0.00 3.99 0.05 0.85 -3.49 116.97 119.03 2fs1 h TYR 23 Ca -0.00 -0.46 0.00 0.00 0.05 0.00 0.00 58.73 58.32 2fs1 h TYR 23 Cb 1.02 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.73 2fs1 h TYR 23 CO 0.00 1.42 0.00 0.41 -1.05 0.00 0.00 178.16 178.95 2fs1 n GLY 24 N 1.70 1.12 3.16 3.88 0.00 0.01 -5.07 105.19 109.99 2fs1 n GLY 24 Ca -0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.44 0.00 -2.71 -0.61 5.41 -0.63 -4.93 119.36 115.45 2fs1 n ILE 25 Ca 0.00 -0.18 -0.33 0.00 1.00 0.00 0.00 62.75 63.24 2fs1 n ILE 25 Cb 0.00 -0.47 -0.06 0.00 -0.71 0.00 0.00 39.64 38.40 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 -1.73 2.27 0.59 7.39 0.00 -1.26 -4.77 107.32 109.81 2fs1 s GLY 26 Ca 0.47 0.29 0.32 0.00 0.00 0.00 0.00 44.72 45.80 2fs1 s GLY 26 CO 0.57 0.56 2.24 -0.55 0.00 0.00 0.00 173.10 175.92 2fs1 h ASP 27 N 1.61 0.00 -0.79 1.64 3.32 -1.94 -2.63 116.42 117.64 2fs1 h ASP 27 Ca -0.48 0.00 0.18 0.00 0.02 0.00 0.00 57.03 56.75 2fs1 h ASP 27 Cb 1.18 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.59 2fs1 h ASP 27 CO 0.62 0.02 0.01 0.22 -1.72 0.00 0.00 179.24 178.39 2fs1 h TYR 28 N 0.00 -0.04 0.00 4.55 5.03 -1.99 0.37 116.97 124.89 2fs1 h TYR 28 Ca -0.00 0.06 -0.05 0.00 2.58 0.00 0.00 58.73 61.32 2fs1 h TYR 28 Cb 0.06 0.14 -0.01 0.00 1.55 0.00 0.00 36.73 38.48 2fs1 h TYR 28 CO 0.00 -0.26 -0.22 1.88 -1.32 0.00 0.00 178.16 178.24 2fs1 h TYR 29 N 0.10 0.00 -0.03 -3.82 0.05 -1.87 0.38 116.97 111.79 2fs1 h TYR 29 Ca 0.43 0.00 -0.18 0.00 0.05 0.00 0.00 58.73 59.04 2fs1 h TYR 29 Cb 0.78 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.51 2fs1 h TYR 29 CO -0.43 0.22 -0.77 -0.84 -1.05 0.00 0.00 178.16 175.29 2fs1 h ILE 30 N 0.00 1.45 0.00 -2.88 -0.00 -0.47 -3.05 117.51 112.56 2fs1 h ILE 30 Ca -0.00 -2.36 -0.01 0.00 -0.00 0.00 0.00 64.86 62.48 2fs1 h ILE 30 Cb 0.98 2.28 -0.00 0.00 -0.00 0.00 0.00 36.82 40.08 2fs1 h ILE 30 CO 0.03 0.69 -0.07 0.11 -0.00 0.00 0.00 178.15 178.91 2fs1 h LYS 31 N 0.14 0.00 -0.02 0.16 1.79 -0.64 -3.26 116.57 114.74 2fs1 h LYS 31 Ca -0.03 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.45 2fs1 h LYS 31 Cb 1.35 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 32.00 2fs1 h LYS 31 CO 0.12 0.98 0.46 1.37 -1.08 0.00 0.00 179.45 181.30 2fs1 h LEU 32 N -1.00 0.00 0.16 2.94 -0.00 -0.32 -0.12 115.31 116.97 2fs1 h LEU 32 Ca -0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.85 2fs1 h LEU 32 Cb 1.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.66 2fs1 h LEU 32 CO -0.01 0.00 -0.08 0.40 -0.00 0.00 0.00 178.44 178.75 2fs1 h ILE 33 N 0.00 0.46 -0.21 0.15 2.04 -1.58 -3.26 117.51 115.12 2fs1 h ILE 33 Ca 0.01 -1.08 0.06 0.00 1.00 0.00 0.00 64.86 64.85 2fs1 h ILE 33 Cb 0.93 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 2fs1 h ILE 33 CO -0.00 0.14 0.37 -1.13 0.00 0.00 0.00 178.15 177.52 2fs1 h ASN 34 N -1.00 0.00 0.76 1.72 -0.00 -1.07 0.18 115.58 116.18 2fs1 h ASN 34 Ca -0.02 0.00 -0.05 0.00 -0.00 0.00 0.00 56.30 56.23 2fs1 h ASN 34 Cb 0.39 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.70 2fs1 h ASN 34 CO 0.04 0.00 -0.22 -1.13 -0.00 0.00 0.00 177.43 176.11 2fs1 h ASN 35 N 0.00 0.00 -4.04 1.15 -1.24 -1.48 -3.45 115.58 106.52 2fs1 h ASN 35 Ca 0.10 0.00 -0.54 0.00 0.71 0.00 0.00 56.30 56.57 2fs1 h ASN 35 Cb 0.83 0.00 0.18 0.00 0.73 0.00 0.00 38.32 40.06 2fs1 h ASN 35 CO -0.00 0.22 0.22 0.00 -1.29 0.00 0.00 177.43 176.58 2fs1 n ALA 36 N -2.25 -0.24 -0.08 1.57 0.00 0.64 -4.97 120.51 115.17 2fs1 n ALA 36 Ca -0.00 -0.31 -0.20 0.00 0.00 0.00 0.00 53.44 52.92 2fs1 n ALA 36 Cb 0.39 -2.19 -0.13 0.00 0.00 0.00 0.00 19.45 17.53 2fs1 n ALA 36 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2fs1 n LYS 37 N -2.83 0.68 0.00 0.00 4.01 -1.26 -4.99 118.16 113.77 2fs1 n LYS 37 Ca 0.13 0.22 0.00 0.00 -0.51 0.00 0.00 58.31 58.15 2fs1 n LYS 37 Cb 0.50 -1.59 0.00 0.00 -0.51 0.00 0.00 35.03 33.43 2fs1 n LYS 37 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 2fs1 n THR 38 N -3.46 0.00 0.00 -0.18 -2.24 -1.26 -5.09 114.28 102.05 2fs1 n THR 38 Ca -0.41 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 2fs1 n THR 38 Cb 0.99 -0.97 0.00 0.00 -2.10 0.00 0.00 70.33 68.25 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 -0.25 2.28 3.14 -1.26 -4.61 118.33 117.63 2fs1 n VAL 39 Ca 0.00 0.00 0.05 0.00 -2.96 0.00 0.00 64.34 61.43 2fs1 n VAL 39 Cb 0.00 -0.25 0.17 0.00 -1.06 0.00 0.00 33.84 32.70 2fs1 n VAL 39 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 2fs1 h GLU 40 N 0.00 0.13 0.00 1.45 3.07 -1.98 0.34 114.58 117.59 2fs1 h GLU 40 Ca 0.00 -0.01 -0.09 0.00 -0.50 0.00 0.00 59.36 58.76 2fs1 h GLU 40 Cb 0.43 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.30 2fs1 h GLU 40 CO 0.00 0.09 -0.45 0.78 -1.40 0.00 0.00 179.01 178.03 2fs1 h GLY 41 N 0.13 0.00 0.97 -3.84 0.00 -1.98 -3.16 103.07 95.20 2fs1 h GLY 41 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.75 2fs1 h GLY 41 CO -0.63 0.00 0.00 -2.08 0.00 0.00 0.00 176.54 173.83 2fs1 h VAL 42 N 0.00 0.99 0.14 4.60 2.07 -0.61 1.00 116.25 124.43 2fs1 h VAL 42 Ca -0.00 -0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 2fs1 h VAL 42 Cb 1.19 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.94 2fs1 h VAL 42 CO 0.06 0.00 -0.06 1.05 0.02 0.00 0.00 177.57 178.63 2fs1 h GLU 43 N 0.01 -0.17 0.00 1.57 4.11 -1.45 -2.92 114.58 115.72 2fs1 h GLU 43 Ca 0.01 0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.43 2fs1 h GLU 43 Cb 0.01 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 2fs1 h GLU 43 CO -0.01 0.18 -0.07 1.03 0.07 0.00 0.00 179.01 180.21 2fs1 h SER 44 N -0.56 0.00 0.37 3.06 0.87 -1.53 -2.51 113.55 113.25 2fs1 h SER 44 Ca -0.02 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.54 2fs1 h SER 44 Cb 0.44 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.37 2fs1 h SER 44 CO 0.03 0.07 -0.47 -0.07 -0.53 0.00 0.00 176.83 175.86 2fs1 h LEU 45 N 0.00 -1.32 -0.24 2.23 -0.00 0.13 0.91 115.31 117.01 2fs1 h LEU 45 Ca -0.00 0.12 -0.08 0.00 -0.00 0.00 0.00 57.88 57.92 2fs1 h LEU 45 Cb 0.30 0.45 -0.01 0.00 -0.00 0.00 0.00 40.66 41.41 2fs1 h LEU 45 CO 0.01 -0.60 -0.17 0.50 -0.00 0.00 0.00 178.44 178.18 2fs1 h LYS 46 N -0.88 0.54 -0.18 1.13 3.11 -1.55 -1.67 116.57 117.08 2fs1 h LYS 46 Ca -0.03 -0.26 0.05 0.00 -2.81 0.00 0.00 60.65 57.60 2fs1 h LYS 46 Cb 0.80 -0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.02 2fs1 h LYS 46 CO -0.12 0.83 0.14 -0.97 -2.81 0.00 0.00 179.45 176.52 2fs1 h ASN 47 N 0.25 0.00 0.22 4.20 -1.24 -1.27 0.50 115.58 118.24 2fs1 h ASN 47 Ca 0.05 0.00 -0.28 0.00 0.71 0.00 0.00 56.30 56.78 2fs1 h ASN 47 Cb 0.70 0.00 0.02 0.00 0.73 0.00 0.00 38.32 39.77 2fs1 h ASN 47 CO 0.05 0.00 -1.16 -0.33 -1.29 0.00 0.00 177.43 174.69 2fs1 h GLU 48 N 0.00 0.55 -0.01 6.67 5.08 0.11 -2.11 114.58 124.88 2fs1 h GLU 48 Ca 0.09 -0.70 -0.03 0.00 -1.00 0.00 0.00 59.36 57.71 2fs1 h GLU 48 Cb 0.36 0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 2fs1 h GLU 48 CO -0.00 1.30 -0.16 -0.84 -1.00 0.00 0.00 179.01 178.31 2fs1 h ILE 49 N 0.26 1.12 0.02 3.13 3.07 -0.09 -1.57 117.51 123.44 2fs1 h ILE 49 Ca -0.15 -0.56 -0.21 0.00 1.55 0.00 0.00 64.86 65.49 2fs1 h ILE 49 Cb 1.83 1.29 -0.02 0.00 -0.27 0.00 0.00 36.82 39.65 2fs1 h ILE 49 CO 0.22 0.16 -0.97 -0.07 -1.05 0.00 0.00 178.15 176.43 2fs1 h LEU 50 N 0.01 0.12 -2.13 0.16 3.38 -0.91 -1.96 115.31 113.98 2fs1 h LEU 50 Ca 0.00 -0.12 0.08 0.00 0.09 0.00 0.00 57.88 57.93 2fs1 h LEU 50 Cb 0.29 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2fs1 h LEU 50 CO 0.02 1.02 0.25 0.50 0.09 0.00 0.00 178.44 180.32 2fs1 h LYS 51 N 0.03 0.00 -1.01 1.13 3.64 -0.57 -2.37 116.57 117.43 2fs1 h LYS 51 Ca -0.04 0.00 -0.39 0.00 -1.27 0.00 0.00 60.65 58.95 2fs1 h LYS 51 Cb 1.68 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 33.09 2fs1 h LYS 51 CO 0.14 0.00 -1.09 0.00 -2.27 0.00 0.00 179.45 176.23 2fs1 n ALA 52 N -2.42 3.66 -1.65 5.00 0.00 -1.17 -5.10 120.51 118.82 2fs1 n ALA 52 Ca 0.04 -3.32 -0.50 0.00 0.00 0.00 0.00 53.44 49.65 2fs1 n ALA 52 Cb 0.39 -0.84 -0.05 0.00 0.00 0.00 0.00 19.45 18.95 2fs1 n ALA 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2fs1 n LEU 53 N -0.23 2.57 0.00 0.00 7.94 -0.74 -4.98 117.00 121.56 2fs1 n LEU 53 Ca 0.15 1.07 0.00 0.00 -1.11 0.00 0.00 56.01 56.13 2fs1 n LEU 53 Cb 0.79 -1.29 0.00 0.00 0.53 0.00 0.00 43.42 43.45 2fs1 n LEU 53 CO 0.26 -0.51 0.00 -0.81 -1.11 0.00 0.00 177.39 175.22 2fs1 n PRO 54 N 4.06 0.19 -2.44 1.96 -0.04 -1.26 -4.77 135.00 132.71 2fs1 n PRO 54 Ca 0.20 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.58 2fs1 n PRO 54 Cb 0.23 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 33.73 2fs1 n PRO 54 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2fs1 n THR 55 N -1.31 -5.07 -0.30 0.52 -1.04 -1.26 -5.15 114.28 100.67 2fs1 n THR 55 Ca 0.00 -0.66 0.00 0.00 -2.04 0.00 0.00 64.05 61.35 2fs1 n THR 55 Cb 0.00 -4.75 0.00 0.00 -1.82 0.00 0.00 70.33 63.76 2fs1 n THR 55 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64