#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 -3.16 0.03 4.07 -1.26 -5.13 120.64 115.19 2fs1 n GLU 2 Ca 0.00 0.00 0.04 0.00 -0.06 0.00 0.00 57.16 57.14 2fs1 n GLU 2 Cb 0.00 -0.02 -0.04 0.00 -0.06 0.00 0.00 31.44 31.32 2fs1 n GLU 2 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2fs1 s ALA 3 N -2.00 -3.45 -0.02 4.31 0.00 -1.26 -5.06 121.76 114.28 2fs1 s ALA 3 Ca 0.00 1.67 0.05 0.00 0.00 0.00 0.00 51.96 53.68 2fs1 s ALA 3 Cb 0.00 -2.38 0.09 0.00 0.00 0.00 0.00 23.12 20.83 2fs1 s ALA 3 CO 0.00 -1.07 1.05 1.33 0.00 0.00 0.00 175.76 177.07 2fs1 n VAL 4 N 4.68 0.01 0.07 0.00 0.24 -1.26 -4.94 118.33 117.12 2fs1 n VAL 4 Ca -0.07 -0.21 0.05 0.00 -2.04 0.00 0.00 64.34 62.07 2fs1 n VAL 4 Cb 0.56 0.60 0.48 0.00 -1.47 0.00 0.00 33.84 34.01 2fs1 n VAL 4 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 2fs1 h ASP 5 N 0.21 0.34 -0.11 -1.34 3.58 -1.99 -1.59 116.42 115.52 2fs1 h ASP 5 Ca -0.51 -0.01 -0.11 0.00 0.42 0.00 0.00 57.03 56.81 2fs1 h ASP 5 Cb 1.48 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 42.43 2fs1 h ASP 5 CO -0.22 0.26 -0.30 0.00 -2.88 0.00 0.00 179.24 176.09 2fs1 h ALA 6 N 1.80 0.95 -0.17 -0.78 0.00 -1.98 -0.25 119.26 118.83 2fs1 h ALA 6 Ca 0.11 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 2fs1 h ALA 6 Cb -0.03 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2fs1 h ALA 6 CO -0.02 0.61 0.03 -0.97 0.00 0.00 0.00 179.25 178.90 2fs1 h ASN 7 N 0.51 0.27 0.24 0.00 -1.24 -1.69 -0.56 115.58 113.10 2fs1 h ASN 7 Ca 0.06 -0.26 -0.11 0.00 0.71 0.00 0.00 56.30 56.70 2fs1 h ASN 7 Cb 0.78 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 39.74 2fs1 h ASN 7 CO 0.06 0.46 -0.43 0.28 -1.29 0.00 0.00 177.43 176.51 2fs1 h SER 8 N 0.07 0.27 -0.31 1.15 0.02 -1.43 -2.95 113.55 110.38 2fs1 h SER 8 Ca 0.05 -0.12 -0.04 0.00 -0.84 0.00 0.00 61.79 60.85 2fs1 h SER 8 Cb 0.30 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 2fs1 h SER 8 CO 0.00 0.67 0.03 0.25 -1.14 0.00 0.00 176.83 176.65 2fs1 h LEU 9 N 0.21 0.50 -1.90 5.07 6.46 -0.84 -2.63 115.31 122.18 2fs1 h LEU 9 Ca 0.02 -0.28 0.00 0.00 -0.12 0.00 0.00 57.88 57.50 2fs1 h LEU 9 Cb 0.86 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 40.65 2fs1 h LEU 9 CO 0.07 0.66 0.00 0.00 -0.62 0.00 0.00 178.44 178.54 2fs1 h ALA 10 N 0.87 1.00 0.19 1.25 0.00 -1.00 -2.75 119.26 118.82 2fs1 h ALA 10 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.74 2fs1 h ALA 10 Cb 0.38 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.20 2fs1 h ALA 10 CO 0.01 0.00 -1.12 0.37 0.00 0.00 0.00 179.25 178.51 2fs1 h GLN 11 N 0.00 0.43 -0.99 0.00 4.15 -1.31 0.45 115.11 117.84 2fs1 h GLN 11 Ca 0.00 -0.71 0.21 0.00 0.77 0.00 0.00 58.65 58.91 2fs1 h GLN 11 Cb 0.26 0.26 -0.10 0.00 0.21 0.00 0.00 27.48 28.12 2fs1 h GLN 11 CO 0.00 1.34 0.62 0.00 -1.93 0.00 0.00 178.83 178.85 2fs1 h ALA 12 N 0.13 1.87 0.00 3.38 0.00 -1.25 1.58 119.26 124.96 2fs1 h ALA 12 Ca -0.19 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 2fs1 h ALA 12 Cb 1.88 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.60 2fs1 h ALA 12 CO 0.21 -0.23 -0.71 1.57 0.00 0.00 0.00 179.25 180.09 2fs1 h LYS 13 N 0.63 0.00 -1.07 0.00 2.10 -1.60 -0.13 116.57 116.50 2fs1 h LYS 13 Ca 0.56 0.00 0.28 0.00 -2.00 0.00 0.00 60.65 59.49 2fs1 h LYS 13 Cb 1.05 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 32.29 2fs1 h LYS 13 CO -0.33 0.57 0.69 0.93 -2.00 0.00 0.00 179.45 179.31 2fs1 h GLU 14 N -1.00 0.33 0.03 0.07 5.08 0.25 1.82 114.58 121.16 2fs1 h GLU 14 Ca -0.15 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.12 2fs1 h GLU 14 Cb 0.86 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.04 2fs1 h GLU 14 CO -0.09 0.22 -0.31 0.00 -1.00 0.00 0.00 179.01 177.83 2fs1 h ALA 15 N 1.61 0.01 -0.01 3.43 0.00 0.21 -3.16 119.26 121.36 2fs1 h ALA 15 Ca 0.61 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2fs1 h ALA 15 Cb 1.63 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.52 2fs1 h ALA 15 CO -0.29 0.16 0.01 0.00 0.00 0.00 0.00 179.25 179.13 2fs1 h ALA 16 N -0.03 1.56 -0.14 0.00 0.00 0.11 -0.86 119.26 119.90 2fs1 h ALA 16 Ca -0.07 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.65 2fs1 h ALA 16 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2fs1 h ALA 16 CO 0.01 -0.01 -0.70 0.82 0.00 0.00 0.00 179.25 179.37 2fs1 h ILE 17 N 0.00 1.32 -0.23 0.00 2.04 0.26 -2.96 117.51 117.94 2fs1 h ILE 17 Ca 0.00 -1.99 0.06 0.00 1.00 0.00 0.00 64.86 63.94 2fs1 h ILE 17 Cb 0.02 1.96 -0.01 0.00 -0.74 0.00 0.00 36.82 38.05 2fs1 h ILE 17 CO -0.00 0.62 0.17 0.11 0.00 0.00 0.00 178.15 179.04 2fs1 h LYS 18 N 0.43 0.03 0.03 2.37 6.56 -1.11 -0.58 116.57 124.29 2fs1 h LYS 18 Ca -0.03 -0.00 -0.25 0.00 -1.06 0.00 0.00 60.65 59.31 2fs1 h LYS 18 Cb 1.29 -0.01 0.01 0.00 -0.57 0.00 0.00 32.23 32.95 2fs1 h LYS 18 CO 0.13 0.02 -1.03 0.93 -2.06 0.00 0.00 179.45 177.45 2fs1 h GLU 19 N 0.03 0.47 -0.27 3.15 4.39 -1.48 -0.13 114.58 120.75 2fs1 h GLU 19 Ca 0.11 -0.55 -0.03 0.00 0.34 0.00 0.00 59.36 59.24 2fs1 h GLU 19 Cb 0.40 0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 2fs1 h GLU 19 CO -0.01 1.19 0.06 -0.07 -1.16 0.00 0.00 179.01 179.02 2fs1 h LEU 20 N 0.25 0.35 0.16 1.33 4.07 -0.99 0.87 115.31 121.36 2fs1 h LEU 20 Ca -0.11 -0.04 -0.32 0.00 0.08 0.00 0.00 57.88 57.49 2fs1 h LEU 20 Cb 1.68 -0.09 0.01 0.00 1.08 0.00 0.00 40.66 43.34 2fs1 h LEU 20 CO 0.18 0.37 -1.55 0.07 -1.08 0.00 0.00 178.44 176.44 2fs1 h LYS 21 N 0.39 0.35 0.00 1.13 2.10 -1.33 -1.12 116.57 118.08 2fs1 h LYS 21 Ca 0.09 -0.59 -0.10 0.00 -2.00 0.00 0.00 60.65 58.05 2fs1 h LYS 21 Cb 0.17 0.22 -0.01 0.00 -0.90 0.00 0.00 32.23 31.70 2fs1 h LYS 21 CO -0.00 1.24 -0.48 0.37 -2.00 0.00 0.00 179.45 178.58 2fs1 h GLN 22 N 0.09 0.00 0.21 0.07 4.15 -0.52 -3.14 115.11 115.97 2fs1 h GLN 22 Ca -0.26 0.00 -0.34 0.00 0.77 0.00 0.00 58.65 58.82 2fs1 h GLN 22 Cb 2.06 0.00 0.02 0.00 0.21 0.00 0.00 27.48 29.77 2fs1 h GLN 22 CO 0.19 0.48 -1.60 1.88 -1.93 0.00 0.00 178.83 177.85 2fs1 h TYR 23 N 0.00 0.79 0.00 3.99 0.05 0.69 -3.49 116.97 119.00 2fs1 h TYR 23 Ca -0.00 -0.58 0.00 0.00 0.05 0.00 0.00 58.73 58.20 2fs1 h TYR 23 Cb 0.90 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.61 2fs1 h TYR 23 CO 0.00 1.62 0.00 0.41 -1.05 0.00 0.00 178.16 179.14 2fs1 n GLY 24 N 1.80 0.91 3.15 3.88 0.00 -0.51 -5.07 105.19 109.35 2fs1 n GLY 24 Ca -0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.76 0.00 -1.97 -0.61 5.41 -0.69 -4.96 119.36 115.78 2fs1 n ILE 25 Ca 0.00 -0.18 -0.29 0.00 1.00 0.00 0.00 62.75 63.28 2fs1 n ILE 25 Cb 0.00 -0.46 0.05 0.00 -0.71 0.00 0.00 39.64 38.52 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 -1.72 1.62 0.45 7.39 0.00 -1.26 -4.78 107.32 109.03 2fs1 s GLY 26 Ca 0.47 -0.46 0.25 0.00 0.00 0.00 0.00 44.72 44.98 2fs1 s GLY 26 CO 0.57 -0.08 1.82 -0.55 0.00 0.00 0.00 173.10 174.86 2fs1 h ASP 27 N -0.65 0.00 -0.77 1.64 5.19 -1.94 -3.18 116.42 116.71 2fs1 h ASP 27 Ca -0.45 0.00 0.17 0.00 -0.62 0.00 0.00 57.03 56.13 2fs1 h ASP 27 Cb 1.27 0.00 -0.14 0.00 0.18 0.00 0.00 39.33 40.64 2fs1 h ASP 27 CO 0.64 0.19 -0.03 0.22 -3.12 0.00 0.00 179.24 177.14 2fs1 h TYR 28 N 0.00 -0.11 0.00 4.55 5.03 -1.99 0.34 116.97 124.79 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 0.75 0.17 -0.01 0.00 1.55 0.00 0.00 36.73 39.19 2fs1 h TYR 28 CO 0.00 -0.27 -0.23 1.88 -1.32 0.00 0.00 178.16 178.23 2fs1 h TYR 29 N 0.08 0.00 -0.03 -3.82 0.05 -1.96 0.34 116.97 111.63 2fs1 h TYR 29 Ca 0.41 0.00 -0.18 0.00 0.05 0.00 0.00 58.73 59.01 2fs1 h TYR 29 Cb 0.72 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.45 2fs1 h TYR 29 CO -0.46 0.23 -0.78 -0.84 -1.05 0.00 0.00 178.16 175.26 2fs1 h ILE 30 N 0.00 1.45 0.02 -2.88 -0.00 -0.56 -3.02 117.51 112.52 2fs1 h ILE 30 Ca -0.00 -2.37 -0.06 0.00 -0.00 0.00 0.00 64.86 62.43 2fs1 h ILE 30 Cb 1.02 2.29 -0.00 0.00 -0.00 0.00 0.00 36.82 40.12 2fs1 h ILE 30 CO 0.03 0.70 -0.30 0.11 -0.00 0.00 0.00 178.15 178.68 2fs1 h LYS 31 N 0.15 0.04 0.00 0.16 1.57 -0.60 -3.26 116.57 114.62 2fs1 h LYS 31 Ca -0.03 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2fs1 h LYS 31 Cb 1.36 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.70 2fs1 h LYS 31 CO 0.12 1.03 0.41 1.37 -0.57 0.00 0.00 179.45 181.81 2fs1 h LEU 32 N -0.92 0.00 0.18 2.94 -0.00 -0.41 -0.21 115.31 116.89 2fs1 h LEU 32 Ca -0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.80 2fs1 h LEU 32 Cb 1.13 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.79 2fs1 h LEU 32 CO -0.01 0.00 -0.09 0.40 -0.00 0.00 0.00 178.44 178.74 2fs1 h ILE 33 N 0.00 0.47 -0.18 0.15 2.04 -1.57 -3.25 117.51 115.16 2fs1 h ILE 33 Ca 0.00 -1.05 0.05 0.00 1.00 0.00 0.00 64.86 64.87 2fs1 h ILE 33 Cb 0.82 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 2fs1 h ILE 33 CO 0.00 0.13 0.33 -1.13 0.00 0.00 0.00 178.15 177.49 2fs1 h ASN 34 N -0.99 0.00 0.99 1.72 -1.24 -1.09 0.10 115.58 115.07 2fs1 h ASN 34 Ca -0.02 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 56.96 2fs1 h ASN 34 Cb 0.41 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.45 2fs1 h ASN 34 CO 0.04 0.00 -0.13 -1.13 -1.29 0.00 0.00 177.43 174.92 2fs1 h ASN 35 N 0.00 0.00 -3.23 1.15 -0.73 -1.49 -3.45 115.58 107.82 2fs1 h ASN 35 Ca 0.09 0.00 -0.58 0.00 1.87 0.00 0.00 56.30 57.68 2fs1 h ASN 35 Cb 0.75 0.00 0.14 0.00 0.27 0.00 0.00 38.32 39.48 2fs1 h ASN 35 CO -0.00 0.13 0.11 0.00 -0.37 0.00 0.00 177.43 177.30 2fs1 n ALA 36 N -2.17 0.10 0.21 1.57 0.00 0.36 -4.89 120.51 115.68 2fs1 n ALA 36 Ca 0.00 0.14 0.10 0.00 0.00 0.00 0.00 53.44 53.68 2fs1 n ALA 36 Cb 0.38 -2.07 0.26 0.00 0.00 0.00 0.00 19.45 18.02 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 -0.23 2.34 0.00 0.00 0.00 -1.26 -4.93 118.16 114.07 2fs1 n LYS 37 Ca 0.11 -2.08 0.00 0.00 -0.00 0.00 0.00 58.31 56.34 2fs1 n LYS 37 Cb 0.42 -1.46 0.00 0.00 -0.00 0.00 0.00 35.03 34.00 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 1.20 0.00 0.00 0.58 -2.24 -1.26 -5.11 114.28 107.44 2fs1 n THR 38 Ca 0.19 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.97 2fs1 n THR 38 Cb 0.50 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 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 -0.30 2.28 3.14 -1.26 -4.60 118.33 117.59 2fs1 n VAL 39 Ca 0.00 0.00 0.21 0.00 -2.96 0.00 0.00 64.34 61.59 2fs1 n VAL 39 Cb 0.00 -0.35 0.49 0.00 -1.06 0.00 0.00 33.84 32.92 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 0.43 0.02 1.45 3.07 -1.99 0.20 114.58 117.75 2fs1 h GLU 40 Ca 0.00 -0.03 -0.25 0.00 -0.50 0.00 0.00 59.36 58.59 2fs1 h GLU 40 Cb 0.24 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 28.02 2fs1 h GLU 40 CO 0.00 0.28 -1.27 0.78 -1.40 0.00 0.00 179.01 177.40 2fs1 h GLY 41 N 0.44 0.05 0.58 -3.84 0.00 -1.98 -3.22 103.07 95.10 2fs1 h GLY 41 Ca 0.56 -0.13 0.05 0.00 0.00 0.00 0.00 47.33 47.80 2fs1 h GLY 41 CO -0.27 0.12 -0.02 -2.08 0.00 0.00 0.00 176.54 174.29 2fs1 h VAL 42 N 0.01 0.80 0.44 4.60 2.07 -0.88 1.10 116.25 124.39 2fs1 h VAL 42 Ca -0.12 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 2fs1 h VAL 42 Cb 1.88 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 32.39 2fs1 h VAL 42 CO 0.12 0.01 -0.21 1.05 0.02 0.00 0.00 177.57 178.56 2fs1 h GLU 43 N 0.06 -0.57 0.00 1.57 4.11 -1.54 -2.99 114.58 115.21 2fs1 h GLU 43 Ca 0.12 0.04 -0.00 0.00 0.07 0.00 0.00 59.36 59.59 2fs1 h GLU 43 Cb 0.17 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 2fs1 h GLU 43 CO -0.22 -0.27 -0.01 1.03 0.07 0.00 0.00 179.01 179.61 2fs1 h SER 44 N -0.97 0.00 0.46 3.06 0.87 -1.55 -2.56 113.55 112.86 2fs1 h SER 44 Ca -0.06 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.49 2fs1 h SER 44 Cb 0.57 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.51 2fs1 h SER 44 CO 0.10 0.01 -0.49 -0.07 -0.53 0.00 0.00 176.83 175.86 2fs1 h LEU 45 N 0.00 -1.34 -0.46 2.23 -0.00 0.14 0.89 115.31 116.77 2fs1 h LEU 45 Ca -0.00 0.11 -0.09 0.00 -0.00 0.00 0.00 57.88 57.90 2fs1 h LEU 45 Cb 0.05 0.45 -0.01 0.00 -0.00 0.00 0.00 40.66 41.15 2fs1 h LEU 45 CO 0.00 -0.64 -0.07 0.50 -0.00 0.00 0.00 178.44 178.23 2fs1 h LYS 46 N -0.96 0.86 0.00 1.13 3.11 -1.52 -1.42 116.57 117.76 2fs1 h LYS 46 Ca -0.05 -0.31 -0.01 0.00 -2.81 0.00 0.00 60.65 57.47 2fs1 h LYS 46 Cb 0.85 -0.06 -0.00 0.00 -1.00 0.00 0.00 32.23 32.02 2fs1 h LYS 46 CO -0.08 0.94 -0.02 -0.97 -2.81 0.00 0.00 179.45 176.51 2fs1 h ASN 47 N 0.70 0.00 0.53 4.20 -1.24 -1.22 0.22 115.58 118.78 2fs1 h ASN 47 Ca 0.12 0.00 -0.25 0.00 0.71 0.00 0.00 56.30 56.88 2fs1 h ASN 47 Cb 0.60 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.66 2fs1 h ASN 47 CO 0.04 0.02 -1.12 -0.33 -1.29 0.00 0.00 177.43 174.76 2fs1 h GLU 48 N 0.00 0.31 0.00 6.67 5.08 0.13 -1.22 114.58 125.55 2fs1 h GLU 48 Ca -0.00 -0.44 -0.07 0.00 -1.00 0.00 0.00 59.36 57.85 2fs1 h GLU 48 Cb 0.05 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2fs1 h GLU 48 CO 0.00 1.16 -0.33 -0.84 -1.00 0.00 0.00 179.01 178.00 2fs1 h ILE 49 N 0.13 1.11 0.05 3.13 3.07 -0.02 -2.53 117.51 122.45 2fs1 h ILE 49 Ca -0.11 -1.18 -0.25 0.00 1.55 0.00 0.00 64.86 64.86 2fs1 h ILE 49 Cb 1.81 1.66 -0.02 0.00 -0.27 0.00 0.00 36.82 39.99 2fs1 h ILE 49 CO 0.19 0.32 -1.26 -0.07 -1.05 0.00 0.00 178.15 176.28 2fs1 h LEU 50 N 0.00 0.16 -2.63 0.16 3.38 -0.96 -2.93 115.31 112.48 2fs1 h LEU 50 Ca -0.00 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 2fs1 h LEU 50 Cb 0.63 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 2fs1 h LEU 50 CO 0.04 1.16 -0.01 0.50 0.09 0.00 0.00 178.44 180.22 2fs1 h LYS 51 N 0.03 0.00 -1.49 1.13 1.63 -0.78 -3.24 116.57 113.86 2fs1 h LYS 51 Ca -0.12 0.00 -0.47 0.00 -0.85 0.00 0.00 60.65 59.21 2fs1 h LYS 51 Cb 1.89 0.00 -0.32 0.00 -0.60 0.00 0.00 32.23 33.20 2fs1 h LYS 51 CO 0.14 0.01 -0.94 0.00 -3.45 0.00 0.00 179.45 175.21 2fs1 n ALA 52 N -2.14 1.41 -2.10 5.00 0.00 -1.14 -5.09 120.51 116.45 2fs1 n ALA 52 Ca -0.02 -2.86 -0.34 0.00 0.00 0.00 0.00 53.44 50.22 2fs1 n ALA 52 Cb 0.11 -0.95 -0.06 0.00 0.00 0.00 0.00 19.45 18.55 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 -1.01 4.17 0.60 0.00 0.20 -1.11 -4.88 118.68 116.65 2fs1 s LEU 53 Ca 0.34 1.36 0.38 0.00 0.69 0.00 0.00 54.13 56.91 2fs1 s LEU 53 Cb 0.18 -3.91 1.88 0.00 -0.43 0.00 0.00 46.19 43.91 2fs1 s LEU 53 CO -0.15 -0.12 2.18 1.55 -0.29 0.00 0.00 176.35 179.53 2fs1 h PRO 54 N 2.71 0.00 0.57 0.98 0.13 -1.96 -3.14 132.00 131.30 2fs1 h PRO 54 Ca -0.48 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.63 2fs1 h PRO 54 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 2fs1 h PRO 54 CO 0.65 0.01 -0.43 1.15 -0.23 0.00 0.00 178.00 179.16 2fs1 h THR 55 N 0.00 0.14 0.00 1.56 2.02 -1.99 -3.57 112.91 111.08 2fs1 h THR 55 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2fs1 h THR 55 Cb 0.25 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.81 2fs1 h THR 55 CO 0.00 0.00 0.00 1.21 0.37 0.00 0.00 175.52 177.10