#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 -3.66 0.03 4.07 -1.26 -5.12 120.64 114.70 2fs1 n GLU 2 Ca 0.00 0.00 -0.06 0.00 -0.06 0.00 0.00 57.16 57.04 2fs1 n GLU 2 Cb 0.00 0.00 -0.07 0.00 -0.06 0.00 0.00 31.44 31.31 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 -0.90 -1.59 -0.00 4.31 0.00 -1.26 -5.03 121.76 117.29 2fs1 s ALA 3 Ca 0.00 1.97 0.07 0.00 0.00 0.00 0.00 51.96 54.00 2fs1 s ALA 3 Cb 0.00 -1.45 0.12 0.00 0.00 0.00 0.00 23.12 21.78 2fs1 s ALA 3 CO 0.00 -0.69 1.05 1.33 0.00 0.00 0.00 175.76 177.45 2fs1 n VAL 4 N 5.08 0.00 0.33 0.00 0.24 -1.26 -4.93 118.33 117.80 2fs1 n VAL 4 Ca -0.14 -0.28 0.21 0.00 -2.04 0.00 0.00 64.34 62.09 2fs1 n VAL 4 Cb 0.52 0.64 1.14 0.00 -1.47 0.00 0.00 33.84 34.66 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 0.28 0.00 -0.87 -1.34 2.03 -2.01 -2.20 116.42 112.31 2fs1 h ASP 5 Ca -0.48 0.00 0.19 0.00 -0.73 0.00 0.00 57.03 56.01 2fs1 h ASP 5 Cb 1.54 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 39.97 2fs1 h ASP 5 CO -0.18 0.00 0.58 0.00 -1.03 0.00 0.00 179.24 178.60 2fs1 h ALA 6 N 1.93 2.16 -0.16 4.15 0.00 -1.97 0.61 119.26 125.99 2fs1 h ALA 6 Ca 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2fs1 h ALA 6 Cb 0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2fs1 h ALA 6 CO -0.00 -0.43 0.04 -0.97 0.00 0.00 0.00 179.25 177.89 2fs1 h ASN 7 N 0.43 0.23 0.39 0.00 -0.00 -1.82 0.51 115.58 115.32 2fs1 h ASN 7 Ca 0.45 -0.23 -0.15 0.00 -0.00 0.00 0.00 56.30 56.37 2fs1 h ASN 7 Cb 1.08 -0.06 -0.01 0.00 -0.00 0.00 0.00 38.32 39.32 2fs1 h ASN 7 CO -0.17 0.40 -0.63 -1.28 -0.00 0.00 0.00 177.43 175.76 2fs1 h SER 8 N 0.06 0.26 -0.21 1.15 0.87 -1.34 -2.97 113.55 111.36 2fs1 h SER 8 Ca 0.05 -0.15 -0.08 0.00 -1.23 0.00 0.00 61.79 60.38 2fs1 h SER 8 Cb 0.26 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.14 2fs1 h SER 8 CO 0.00 0.82 -0.16 0.25 -0.53 0.00 0.00 176.83 177.21 2fs1 h LEU 9 N 0.17 0.51 -2.17 2.23 6.46 0.34 -2.96 115.31 119.90 2fs1 h LEU 9 Ca -0.01 -0.45 0.00 0.00 -0.12 0.00 0.00 57.88 57.30 2fs1 h LEU 9 Cb 1.14 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.92 2fs1 h LEU 9 CO 0.10 0.85 0.00 0.00 -0.62 0.00 0.00 178.44 178.77 2fs1 h ALA 10 N 0.67 1.00 0.22 1.25 0.00 0.05 -2.63 119.26 119.83 2fs1 h ALA 10 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.65 2fs1 h ALA 10 Cb 0.69 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.51 2fs1 h ALA 10 CO 0.04 0.00 -1.31 0.37 0.00 0.00 0.00 179.25 178.35 2fs1 h GLN 11 N 0.00 0.46 -0.95 0.00 4.15 -1.36 0.27 115.11 117.68 2fs1 h GLN 11 Ca 0.00 -0.79 0.18 0.00 0.77 0.00 0.00 58.65 58.81 2fs1 h GLN 11 Cb 0.19 0.29 -0.08 0.00 0.21 0.00 0.00 27.48 28.09 2fs1 h GLN 11 CO 0.00 1.38 0.60 0.00 -1.93 0.00 0.00 178.83 178.88 2fs1 h ALA 12 N 0.12 1.90 0.00 3.38 0.00 -1.36 1.67 119.26 124.98 2fs1 h ALA 12 Ca -0.23 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.57 2fs1 h ALA 12 Cb 2.01 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.70 2fs1 h ALA 12 CO 0.23 -0.20 -0.85 1.57 0.00 0.00 0.00 179.25 180.00 2fs1 h LYS 13 N 0.63 0.00 -1.00 0.00 2.10 -1.61 0.77 116.57 117.47 2fs1 h LYS 13 Ca 0.51 0.00 0.23 0.00 -2.00 0.00 0.00 60.65 59.39 2fs1 h LYS 13 Cb 0.94 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 32.18 2fs1 h LYS 13 CO -0.26 0.81 0.64 0.93 -2.00 0.00 0.00 179.45 179.57 2fs1 h GLU 14 N -1.00 0.46 0.06 0.07 5.08 -0.09 1.69 114.58 120.86 2fs1 h GLU 14 Ca -0.21 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.03 2fs1 h GLU 14 Cb 1.07 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 30.22 2fs1 h GLU 14 CO -0.13 0.31 -0.39 0.00 -1.00 0.00 0.00 179.01 177.79 2fs1 h ALA 15 N 1.63 -0.03 0.00 3.43 0.00 0.24 -3.16 119.26 121.36 2fs1 h ALA 15 Ca 0.56 -0.61 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2fs1 h ALA 15 Cb 1.29 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 2fs1 h ALA 15 CO -0.29 0.19 -0.01 0.00 0.00 0.00 0.00 179.25 179.14 2fs1 h ALA 16 N 0.02 1.53 -0.12 0.00 0.00 0.11 -0.95 119.26 119.87 2fs1 h ALA 16 Ca -0.07 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.64 2fs1 h ALA 16 Cb 1.29 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 2fs1 h ALA 16 CO 0.06 0.01 -0.70 0.82 0.00 0.00 0.00 179.25 179.44 2fs1 h ILE 17 N 0.00 1.34 -0.67 0.00 5.03 0.24 -2.94 117.51 120.51 2fs1 h ILE 17 Ca -0.00 -2.03 0.09 0.00 -0.12 0.00 0.00 64.86 62.81 2fs1 h ILE 17 Cb 0.03 2.01 -0.04 0.00 -3.03 0.00 0.00 36.82 35.78 2fs1 h ILE 17 CO 0.00 0.62 0.44 0.11 -0.68 0.00 0.00 178.15 178.65 2fs1 h LYS 18 N 0.37 0.53 -0.16 2.37 1.57 -1.13 -0.07 116.57 120.04 2fs1 h LYS 18 Ca -0.03 -0.03 -0.21 0.00 -1.87 0.00 0.00 60.65 58.51 2fs1 h LYS 18 Cb 1.28 -0.12 0.01 0.00 0.08 0.00 0.00 32.23 33.48 2fs1 h LYS 18 CO 0.13 0.35 -0.74 0.93 -0.57 0.00 0.00 179.45 179.55 2fs1 h GLU 19 N 0.54 0.78 -0.11 3.15 3.07 -1.51 0.70 114.58 121.21 2fs1 h GLU 19 Ca 0.31 -0.63 -0.02 0.00 -0.50 0.00 0.00 59.36 58.51 2fs1 h GLU 19 Cb 0.48 0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.51 2fs1 h GLU 19 CO -0.10 1.24 -0.04 1.25 -1.40 0.00 0.00 179.01 179.96 2fs1 h LEU 20 N 0.52 0.14 0.16 1.33 5.85 -0.98 0.99 115.31 123.32 2fs1 h LEU 20 Ca -0.05 -0.02 -0.30 0.00 0.84 0.00 0.00 57.88 58.35 2fs1 h LEU 20 Cb 1.37 -0.04 0.01 0.00 0.37 0.00 0.00 40.66 42.37 2fs1 h LEU 20 CO 0.15 0.21 -1.42 0.50 -0.34 0.00 0.00 178.44 177.54 2fs1 h LYS 21 N 0.15 0.34 -0.04 1.25 3.64 -0.94 -1.37 116.57 119.59 2fs1 h LYS 21 Ca 0.04 -0.58 -0.15 0.00 -1.27 0.00 0.00 60.65 58.68 2fs1 h LYS 21 Cb 0.18 0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 2fs1 h LYS 21 CO 0.01 1.25 -0.66 0.37 -2.27 0.00 0.00 179.45 178.14 2fs1 h GLN 22 N 0.09 0.18 0.07 1.90 4.15 -0.12 -3.22 115.11 118.17 2fs1 h GLN 22 Ca -0.21 -0.14 -0.21 0.00 0.77 0.00 0.00 58.65 58.86 2fs1 h GLN 22 Cb 2.04 0.03 0.02 0.00 0.21 0.00 0.00 27.48 29.78 2fs1 h GLN 22 CO 0.21 0.78 -0.86 1.88 -1.93 0.00 0.00 178.83 178.91 2fs1 h TYR 23 N 0.13 0.72 0.00 3.99 0.05 0.94 -3.48 116.97 119.31 2fs1 h TYR 23 Ca -0.01 -0.45 0.00 0.00 0.05 0.00 0.00 58.73 58.32 2fs1 h TYR 23 Cb 1.19 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 38.87 2fs1 h TYR 23 CO 0.02 1.30 0.00 0.41 -1.05 0.00 0.00 178.16 178.84 2fs1 n GLY 24 N 1.33 0.80 3.15 3.88 0.00 -0.57 -5.07 105.19 108.70 2fs1 n GLY 24 Ca -0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.89 0.00 -2.37 -0.61 5.41 -0.89 -4.93 119.36 115.08 2fs1 n ILE 25 Ca 0.00 -0.17 -0.32 0.00 1.00 0.00 0.00 62.75 63.26 2fs1 n ILE 25 Cb 0.00 -0.49 -0.03 0.00 -0.71 0.00 0.00 39.64 38.41 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 -1.79 2.10 0.57 7.39 0.00 -1.26 -4.84 107.32 109.49 2fs1 s GLY 26 Ca 0.47 0.24 0.31 0.00 0.00 0.00 0.00 44.72 45.74 2fs1 s GLY 26 CO 0.54 0.52 2.17 1.29 0.00 0.00 0.00 173.10 177.63 2fs1 h ASP 27 N 0.92 0.00 -0.75 1.64 2.03 -1.94 -2.72 116.42 115.60 2fs1 h ASP 27 Ca -0.47 0.00 0.17 0.00 -0.73 0.00 0.00 57.03 56.00 2fs1 h ASP 27 Cb 1.19 0.00 -0.13 0.00 -0.83 0.00 0.00 39.33 39.56 2fs1 h ASP 27 CO 0.61 0.06 0.05 0.22 -1.03 0.00 0.00 179.24 179.14 2fs1 h TYR 28 N 0.00 0.03 0.00 4.15 5.03 -1.99 0.23 116.97 124.41 2fs1 h TYR 28 Ca -0.00 0.05 -0.05 0.00 2.58 0.00 0.00 58.73 61.31 2fs1 h TYR 28 Cb 0.19 0.11 -0.01 0.00 1.55 0.00 0.00 36.73 38.57 2fs1 h TYR 28 CO 0.00 -0.21 -0.23 1.88 -1.32 0.00 0.00 178.16 178.28 2fs1 h TYR 29 N 0.13 0.00 -0.06 -3.82 0.05 -1.88 0.37 116.97 111.77 2fs1 h TYR 29 Ca 0.42 0.00 -0.18 0.00 0.05 0.00 0.00 58.73 59.02 2fs1 h TYR 29 Cb 0.74 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.47 2fs1 h TYR 29 CO -0.38 0.23 -0.72 -0.84 -1.05 0.00 0.00 178.16 175.40 2fs1 h ILE 30 N 0.00 1.41 0.00 -2.88 -0.00 -0.72 -3.03 117.51 112.28 2fs1 h ILE 30 Ca -0.00 -2.20 -0.02 0.00 -0.00 0.00 0.00 64.86 62.64 2fs1 h ILE 30 Cb 1.00 2.16 -0.00 0.00 -0.00 0.00 0.00 36.82 39.98 2fs1 h ILE 30 CO 0.03 0.65 -0.09 0.50 -0.00 0.00 0.00 178.15 179.24 2fs1 h LYS 31 N 0.21 0.00 -0.01 0.16 3.64 -0.81 -3.27 116.57 116.50 2fs1 h LYS 31 Ca -0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2fs1 h LYS 31 Cb 1.29 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.11 2fs1 h LYS 31 CO 0.12 0.97 0.47 1.37 -2.27 0.00 0.00 179.45 180.11 2fs1 h LEU 32 N -1.00 0.00 0.18 5.20 -0.00 -0.34 0.34 115.31 119.69 2fs1 h LEU 32 Ca -0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.85 2fs1 h LEU 32 Cb 0.99 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.65 2fs1 h LEU 32 CO -0.02 0.00 -0.09 0.40 -0.00 0.00 0.00 178.44 178.74 2fs1 h ILE 33 N 0.00 0.48 -0.24 0.15 2.04 -1.58 -3.24 117.51 115.12 2fs1 h ILE 33 Ca 0.00 -1.05 0.07 0.00 1.00 0.00 0.00 64.86 64.89 2fs1 h ILE 33 Cb 0.95 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 2fs1 h ILE 33 CO -0.00 0.14 0.41 -1.13 0.00 0.00 0.00 178.15 177.56 2fs1 h ASN 34 N -0.99 0.00 0.43 1.72 -1.24 -0.99 0.14 115.58 114.65 2fs1 h ASN 34 Ca -0.03 0.00 -0.07 0.00 0.71 0.00 0.00 56.30 56.92 2fs1 h ASN 34 Cb 0.41 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.45 2fs1 h ASN 34 CO 0.04 0.00 -0.32 0.78 -1.29 0.00 0.00 177.43 176.65 2fs1 h ASN 35 N 0.00 0.00 -3.70 1.15 4.21 -1.49 -3.44 115.58 112.31 2fs1 h ASN 35 Ca 0.11 0.00 -0.56 0.00 1.21 0.00 0.00 56.30 57.06 2fs1 h ASN 35 Cb 0.92 0.00 0.13 0.00 -1.12 0.00 0.00 38.32 38.26 2fs1 h ASN 35 CO -0.00 0.32 0.48 0.00 -1.29 0.00 0.00 177.43 176.93 2fs1 n ALA 36 N -2.41 1.24 0.00 -0.83 0.00 0.50 -4.94 120.51 114.07 2fs1 n ALA 36 Ca -0.02 0.19 -0.16 0.00 0.00 0.00 0.00 53.44 53.45 2fs1 n ALA 36 Cb 0.38 -2.27 -0.14 0.00 0.00 0.00 0.00 19.45 17.42 2fs1 n ALA 36 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2fs1 h LYS 37 N 1.67 0.17 0.00 0.00 6.56 -1.88 -3.48 116.57 119.62 2fs1 h LYS 37 Ca -0.49 -0.29 0.00 0.00 -1.06 0.00 0.00 60.65 58.81 2fs1 h LYS 37 Cb 1.31 0.11 0.00 0.00 -0.57 0.00 0.00 32.23 33.08 2fs1 h LYS 37 CO 0.58 0.95 0.00 0.25 -2.06 0.00 0.00 179.45 179.16 2fs1 n THR 38 N -3.32 0.00 0.00 -0.16 -2.24 -1.26 -5.09 114.28 102.21 2fs1 n THR 38 Ca -0.24 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 2fs1 n THR 38 Cb 1.05 -0.81 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 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 -4.59 118.33 117.58 2fs1 n VAL 39 Ca 0.00 0.00 0.24 0.00 -2.96 0.00 0.00 64.34 61.62 2fs1 n VAL 39 Cb 0.00 -0.33 0.55 0.00 -1.06 0.00 0.00 33.84 33.00 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 0.32 0.03 1.45 4.57 -1.98 0.27 114.58 119.24 2fs1 h GLU 40 Ca 0.00 -0.02 -0.26 0.00 -1.18 0.00 0.00 59.36 57.90 2fs1 h GLU 40 Cb 0.33 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.82 2fs1 h GLU 40 CO 0.00 0.21 -1.34 0.78 -1.18 0.00 0.00 179.01 177.48 2fs1 h GLY 41 N 0.33 0.08 0.59 1.92 0.00 -1.98 -3.23 103.07 100.78 2fs1 h GLY 41 Ca 0.58 -0.20 0.05 0.00 0.00 0.00 0.00 47.33 47.77 2fs1 h GLY 41 CO -0.25 0.17 0.04 -2.08 0.00 0.00 0.00 176.54 174.41 2fs1 h VAL 42 N 0.02 0.82 0.45 4.60 2.07 -0.73 1.08 116.25 124.56 2fs1 h VAL 42 Ca -0.15 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 2fs1 h VAL 42 Cb 1.91 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 32.36 2fs1 h VAL 42 CO 0.12 0.02 -0.22 1.05 0.02 0.00 0.00 177.57 178.57 2fs1 h GLU 43 N 0.14 -0.59 0.00 1.57 4.11 -1.55 -3.00 114.58 115.26 2fs1 h GLU 43 Ca 0.14 0.04 -0.00 0.00 0.07 0.00 0.00 59.36 59.61 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 -0.21 -0.29 -0.00 1.03 0.07 0.00 0.00 179.01 179.61 2fs1 h SER 44 N -1.01 0.00 0.36 3.06 0.87 -1.56 -2.43 113.55 112.83 2fs1 h SER 44 Ca -0.06 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.50 2fs1 h SER 44 Cb 0.57 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.50 2fs1 h SER 44 CO 0.10 0.00 -0.48 -0.07 -0.53 0.00 0.00 176.83 175.86 2fs1 h LEU 45 N 0.00 -1.34 -0.31 2.23 -0.00 0.14 0.86 115.31 116.88 2fs1 h LEU 45 Ca -0.00 0.12 -0.12 0.00 -0.00 0.00 0.00 57.88 57.89 2fs1 h LEU 45 Cb 0.02 0.46 -0.01 0.00 -0.00 0.00 0.00 40.66 41.14 2fs1 h LEU 45 CO 0.00 -0.60 -0.26 0.50 -0.00 0.00 0.00 178.44 178.08 2fs1 h LYS 46 N -0.88 0.72 -0.01 1.13 3.11 -1.52 -1.77 116.57 117.35 2fs1 h LYS 46 Ca -0.03 -0.36 0.00 0.00 -2.81 0.00 0.00 60.65 57.45 2fs1 h LYS 46 Cb 0.80 0.01 -0.00 0.00 -1.00 0.00 0.00 32.23 32.04 2fs1 h LYS 46 CO -0.13 0.98 0.01 -0.97 -2.81 0.00 0.00 179.45 176.53 2fs1 h ASN 47 N 0.47 0.00 0.44 4.20 -0.73 -1.24 -0.06 115.58 118.65 2fs1 h ASN 47 Ca 0.05 0.00 -0.28 0.00 1.87 0.00 0.00 56.30 57.95 2fs1 h ASN 47 Cb 0.83 0.00 0.01 0.00 0.27 0.00 0.00 38.32 39.43 2fs1 h ASN 47 CO 0.07 0.00 -1.21 -0.33 -0.37 0.00 0.00 177.43 175.59 2fs1 h GLU 48 N 0.00 0.39 0.00 6.67 5.08 0.10 -2.19 114.58 124.64 2fs1 h GLU 48 Ca 0.01 -0.58 -0.05 0.00 -1.00 0.00 0.00 59.36 57.74 2fs1 h GLU 48 Cb 0.03 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2fs1 h GLU 48 CO -0.00 1.25 -0.23 -0.84 -1.00 0.00 0.00 179.01 178.19 2fs1 h ILE 49 N 0.15 1.05 0.04 3.13 3.07 -0.23 -2.02 117.51 122.70 2fs1 h ILE 49 Ca -0.15 -0.82 -0.23 0.00 1.55 0.00 0.00 64.86 65.21 2fs1 h ILE 49 Cb 1.90 1.46 -0.02 0.00 -0.27 0.00 0.00 36.82 39.89 2fs1 h ILE 49 CO 0.21 0.23 -1.07 -0.07 -1.05 0.00 0.00 178.15 176.40 2fs1 h LEU 50 N 0.00 0.12 -2.58 0.16 3.38 -1.03 -0.61 115.31 114.75 2fs1 h LEU 50 Ca -0.00 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 2fs1 h LEU 50 Cb 0.44 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 2fs1 h LEU 50 CO 0.03 1.10 -0.01 0.50 0.09 0.00 0.00 178.44 180.15 2fs1 h LYS 51 N 0.02 0.00 -0.86 1.13 1.63 -0.70 -3.15 116.57 114.65 2fs1 h LYS 51 Ca -0.05 0.00 -0.34 0.00 -0.85 0.00 0.00 60.65 59.42 2fs1 h LYS 51 Cb 1.83 0.00 -0.31 0.00 -0.60 0.00 0.00 32.23 33.15 2fs1 h LYS 51 CO 0.15 0.01 -0.90 0.00 -3.45 0.00 0.00 179.45 175.26 2fs1 n ALA 52 N -2.13 2.01 -2.01 5.00 0.00 -1.15 -5.10 120.51 117.13 2fs1 n ALA 52 Ca -0.02 -2.53 -0.31 0.00 0.00 0.00 0.00 53.44 50.57 2fs1 n ALA 52 Cb 0.13 -0.98 -0.03 0.00 0.00 0.00 0.00 19.45 18.56 2fs1 n ALA 52 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2fs1 s LEU 53 N -2.87 3.73 0.00 0.00 2.34 -0.24 -4.93 118.68 116.71 2fs1 s LEU 53 Ca 0.28 1.36 0.00 0.00 0.06 0.00 0.00 54.13 55.83 2fs1 s LEU 53 Cb 0.40 -4.27 0.00 0.00 -0.56 0.00 0.00 46.19 41.75 2fs1 s LEU 53 CO -0.03 -0.49 0.00 -0.81 -1.06 0.00 0.00 176.35 173.96 2fs1 n PRO 54 N -1.43 -0.61 -3.74 1.48 -0.04 -1.26 -5.02 135.00 124.38 2fs1 n PRO 54 Ca 0.05 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.28 2fs1 n PRO 54 Cb 0.54 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.98 2fs1 n PRO 54 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2fs1 s THR 55 N -0.56 5.21 0.00 0.52 -4.23 -1.26 -5.19 115.64 110.13 2fs1 s THR 55 Ca 0.00 -0.73 0.00 0.00 -1.18 0.00 0.00 61.69 59.78 2fs1 s THR 55 Cb 0.00 -3.84 0.00 0.00 1.34 0.00 0.00 72.50 70.00 2fs1 s THR 55 CO 0.00 -0.38 0.15 -0.62 -0.54 0.00 0.00 174.62 173.23