#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fs1 h GLU 2 N 0.00 0.32 0.00 3.17 5.08 -2.06 -3.49 114.58 117.59 2fs1 h GLU 2 Ca 0.00 -0.54 0.00 0.00 -1.00 0.00 0.00 59.36 57.82 2fs1 h GLU 2 Cb 0.00 0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2fs1 h GLU 2 CO 0.00 1.26 0.00 0.00 -1.00 0.00 0.00 179.01 179.27 2fs1 n ALA 3 N -2.95 0.00 -2.04 3.43 0.00 -1.26 -5.00 120.51 112.69 2fs1 n ALA 3 Ca -0.29 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.08 2fs1 n ALA 3 Cb 1.06 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.45 2fs1 n ALA 3 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2fs1 n VAL 4 N -1.46 0.00 -0.03 0.00 0.24 -1.26 -4.97 118.33 110.85 2fs1 n VAL 4 Ca 0.00 -0.07 -0.16 0.00 -2.04 0.00 0.00 64.34 62.06 2fs1 n VAL 4 Cb 0.00 0.53 -0.08 0.00 -1.47 0.00 0.00 33.84 32.82 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 0.07 0.73 0.07 -1.34 3.04 -1.99 -2.53 116.42 114.48 2fs1 h ASP 5 Ca -0.55 -0.64 -0.11 0.00 -3.24 0.00 0.00 57.03 52.49 2fs1 h ASP 5 Cb 1.39 -0.21 -0.01 0.00 -1.04 0.00 0.00 39.33 39.45 2fs1 h ASP 5 CO -0.28 1.25 -0.38 0.00 -2.04 0.00 0.00 179.24 177.79 2fs1 h ALA 6 N 0.50 1.01 -0.11 4.15 0.00 -1.98 -0.55 119.26 122.27 2fs1 h ALA 6 Ca -0.04 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 2fs1 h ALA 6 Cb 1.23 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 2fs1 h ALA 6 CO 0.12 0.60 -0.06 -0.91 0.00 0.00 0.00 179.25 179.01 2fs1 h ASN 7 N 0.35 0.24 0.26 0.00 2.35 -1.94 -1.91 115.58 114.93 2fs1 h ASN 7 Ca 0.04 -0.42 -0.10 0.00 -0.55 0.00 0.00 56.30 55.27 2fs1 h ASN 7 Cb 0.82 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 39.11 2fs1 h ASN 7 CO 0.07 0.61 -0.39 -1.28 -1.65 0.00 0.00 177.43 174.78 2fs1 h SER 8 N -0.12 0.20 -0.32 5.81 0.87 -1.42 -3.03 113.55 115.54 2fs1 h SER 8 Ca 0.02 -0.08 -0.04 0.00 -1.23 0.00 0.00 61.79 60.47 2fs1 h SER 8 Cb 0.52 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.41 2fs1 h SER 8 CO 0.02 0.58 0.04 0.25 -0.53 0.00 0.00 176.83 177.19 2fs1 h LEU 9 N 0.16 0.51 -2.17 2.23 6.46 -1.01 -2.54 115.31 118.95 2fs1 h LEU 9 Ca 0.02 -0.27 -0.01 0.00 -0.12 0.00 0.00 57.88 57.50 2fs1 h LEU 9 Cb 0.77 -0.14 -0.00 0.00 -0.73 0.00 0.00 40.66 40.57 2fs1 h LEU 9 CO 0.06 0.65 -0.03 0.00 -0.62 0.00 0.00 178.44 178.50 2fs1 h ALA 10 N 0.88 1.08 0.12 1.25 0.00 -1.23 -2.94 119.26 118.42 2fs1 h ALA 10 Ca 0.10 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.78 2fs1 h ALA 10 Cb 0.36 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.16 2fs1 h ALA 10 CO 0.01 0.04 -0.91 0.37 0.00 0.00 0.00 179.25 178.76 2fs1 h GLN 11 N 0.00 0.24 -1.01 0.00 4.15 -1.38 0.19 115.11 117.30 2fs1 h GLN 11 Ca -0.00 -0.42 0.24 0.00 0.77 0.00 0.00 58.65 59.25 2fs1 h GLN 11 Cb 0.27 0.16 -0.09 0.00 0.21 0.00 0.00 27.48 28.02 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 0.02 2.18 0.00 3.38 0.00 -1.28 1.57 119.26 125.13 2fs1 h ALA 12 Ca -0.18 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 2fs1 h ALA 12 Cb 1.60 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 2fs1 h ALA 12 CO 0.10 -0.55 -0.62 1.57 0.00 0.00 0.00 179.25 179.75 2fs1 h LYS 13 N 0.43 0.00 -1.06 0.00 2.10 -1.63 -0.81 116.57 115.60 2fs1 h LYS 13 Ca 0.56 0.00 0.28 0.00 -2.00 0.00 0.00 60.65 59.50 2fs1 h LYS 13 Cb 1.37 0.00 -0.10 0.00 -0.90 0.00 0.00 32.23 32.60 2fs1 h LYS 13 CO -0.27 0.41 0.68 0.93 -2.00 0.00 0.00 179.45 179.19 2fs1 h GLU 14 N -1.00 0.36 0.09 0.07 4.39 -0.16 0.92 114.58 119.26 2fs1 h GLU 14 Ca -0.11 -0.02 -0.29 0.00 0.34 0.00 0.00 59.36 59.28 2fs1 h GLU 14 Cb 0.73 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.28 2fs1 h GLU 14 CO -0.07 0.24 -1.45 0.00 -1.16 0.00 0.00 179.01 176.57 2fs1 h ALA 15 N 1.63 0.32 0.00 3.43 0.00 0.21 -3.20 119.26 121.66 2fs1 h ALA 15 Ca 0.63 -1.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.37 2fs1 h ALA 15 Cb 1.60 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.59 2fs1 h ALA 15 CO -0.33 1.19 -0.32 0.00 0.00 0.00 0.00 179.25 179.78 2fs1 h ALA 16 N 0.62 1.12 0.04 0.00 0.00 0.15 -2.84 119.26 118.36 2fs1 h ALA 16 Ca -0.21 -0.29 -0.22 0.00 0.00 0.00 0.00 54.91 54.19 2fs1 h ALA 16 Cb 1.98 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.70 2fs1 h ALA 16 CO 0.15 0.40 -1.02 -0.84 0.00 0.00 0.00 179.25 177.95 2fs1 h ILE 17 N 0.00 1.56 -0.71 0.00 3.07 0.49 -3.10 117.51 118.82 2fs1 h ILE 17 Ca -0.00 -2.98 0.06 0.00 1.55 0.00 0.00 64.86 63.48 2fs1 h ILE 17 Cb 0.74 2.71 -0.04 0.00 -0.27 0.00 0.00 36.82 39.96 2fs1 h ILE 17 CO 0.04 0.86 0.47 0.11 -1.05 0.00 0.00 178.15 178.58 2fs1 h LYS 18 N 0.06 0.74 -0.27 0.16 1.57 -1.49 -0.33 116.57 117.01 2fs1 h LYS 18 Ca -0.06 -0.04 -0.18 0.00 -1.87 0.00 0.00 60.65 58.50 2fs1 h LYS 18 Cb 1.71 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 33.85 2fs1 h LYS 18 CO 0.15 0.49 -0.53 0.93 -0.57 0.00 0.00 179.45 179.92 2fs1 h GLU 19 N 0.76 0.79 -0.21 3.15 3.07 -1.54 0.11 114.58 120.72 2fs1 h GLU 19 Ca 0.30 -0.49 -0.02 0.00 -0.50 0.00 0.00 59.36 58.65 2fs1 h GLU 19 Cb 0.22 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.17 2fs1 h GLU 19 CO -0.10 1.12 0.03 1.25 -1.40 0.00 0.00 179.01 179.92 2fs1 h LEU 20 N 0.61 0.26 0.19 1.33 5.85 -1.08 1.10 115.31 123.57 2fs1 h LEU 20 Ca 0.02 -0.03 -0.31 0.00 0.84 0.00 0.00 57.88 58.40 2fs1 h LEU 20 Cb 1.12 -0.07 0.02 0.00 0.37 0.00 0.00 40.66 42.10 2fs1 h LEU 20 CO 0.11 0.29 -1.45 0.50 -0.34 0.00 0.00 178.44 177.56 2fs1 h LYS 21 N 0.29 0.39 0.00 1.25 3.64 -0.88 -0.98 116.57 120.28 2fs1 h LYS 21 Ca 0.07 -0.67 -0.12 0.00 -1.27 0.00 0.00 60.65 58.66 2fs1 h LYS 21 Cb 0.15 0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 2fs1 h LYS 21 CO -0.00 1.31 -0.59 0.37 -2.27 0.00 0.00 179.45 178.26 2fs1 h GLN 22 N 0.11 0.00 0.20 1.90 5.75 -0.15 -3.22 115.11 119.69 2fs1 h GLN 22 Ca -0.23 0.00 -0.29 0.00 -0.15 0.00 0.00 58.65 57.98 2fs1 h GLN 22 Cb 2.08 0.00 0.03 0.00 1.07 0.00 0.00 27.48 30.65 2fs1 h GLN 22 CO 0.22 0.59 -1.34 1.88 -2.65 0.00 0.00 178.83 177.54 2fs1 h TYR 23 N 0.00 0.77 0.00 3.99 0.05 0.12 -3.49 116.97 118.41 2fs1 h TYR 23 Ca -0.01 -0.56 0.00 0.00 0.05 0.00 0.00 58.73 58.21 2fs1 h TYR 23 Cb 1.15 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.86 2fs1 h TYR 23 CO 0.00 1.52 0.00 0.41 -1.05 0.00 0.00 178.16 179.04 2fs1 n GLY 24 N 1.73 0.92 3.16 3.88 0.00 -0.45 -5.07 105.19 109.36 2fs1 n GLY 24 Ca -0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.72 0.00 -2.67 -0.61 5.41 -0.77 -4.92 119.36 115.08 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 -0.05 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 -1.72 2.37 0.60 7.39 0.00 -1.26 -4.80 107.32 109.90 2fs1 s GLY 26 Ca 0.47 0.43 0.35 0.00 0.00 0.00 0.00 44.72 45.96 2fs1 s GLY 26 CO 0.57 0.72 2.24 -0.55 0.00 0.00 0.00 173.10 176.08 2fs1 h ASP 27 N 1.65 0.00 -0.73 1.64 5.19 -1.93 -2.68 116.42 119.56 2fs1 h ASP 27 Ca -0.49 0.00 0.16 0.00 -0.62 0.00 0.00 57.03 56.08 2fs1 h ASP 27 Cb 1.19 0.00 -0.13 0.00 0.18 0.00 0.00 39.33 40.57 2fs1 h ASP 27 CO 0.60 0.03 -0.06 0.22 -3.12 0.00 0.00 179.24 176.91 2fs1 h TYR 28 N 0.00 -0.17 0.00 4.55 3.20 -1.99 0.30 116.97 122.86 2fs1 h TYR 28 Ca -0.00 0.06 -0.04 0.00 3.14 0.00 0.00 58.73 61.88 2fs1 h TYR 28 Cb 0.10 0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 2fs1 h TYR 28 CO 0.00 -0.26 -0.21 1.88 -1.64 0.00 0.00 178.16 177.93 2fs1 h TYR 29 N 0.06 0.00 -0.03 -3.82 0.05 -1.87 0.43 116.97 111.79 2fs1 h TYR 29 Ca 0.38 0.00 -0.18 0.00 0.05 0.00 0.00 58.73 58.98 2fs1 h TYR 29 Cb 0.64 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.37 2fs1 h TYR 29 CO -0.47 0.21 -0.78 -0.84 -1.05 0.00 0.00 178.16 175.22 2fs1 h ILE 30 N 0.00 1.43 0.00 -2.88 -0.00 -0.59 -3.07 117.51 112.40 2fs1 h ILE 30 Ca -0.00 -2.33 -0.01 0.00 -0.00 0.00 0.00 64.86 62.52 2fs1 h ILE 30 Cb 0.88 2.26 -0.00 0.00 -0.00 0.00 0.00 36.82 39.96 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 0.17 0.00 -0.02 0.16 1.79 -0.67 -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 58.44 2fs1 h LYS 31 Cb 1.36 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 32.01 2fs1 h LYS 31 CO 0.12 1.00 0.47 1.37 -1.08 0.00 0.00 179.45 181.33 2fs1 h LEU 32 N -1.00 0.00 0.13 2.94 -0.00 -0.22 -0.06 115.31 117.10 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 1.02 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.68 2fs1 h LEU 32 CO -0.01 0.00 -0.06 0.40 -0.00 0.00 0.00 178.44 178.77 2fs1 h ILE 33 N 0.00 0.49 -0.24 0.15 2.04 -1.59 -3.27 117.51 115.10 2fs1 h ILE 33 Ca 0.01 -1.15 0.07 0.00 1.00 0.00 0.00 64.86 64.79 2fs1 h ILE 33 Cb 0.95 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 2fs1 h ILE 33 CO -0.00 0.15 0.42 -1.13 0.00 0.00 0.00 178.15 177.59 2fs1 h ASN 34 N -0.99 0.00 1.07 1.72 -1.24 -1.06 0.26 115.58 115.33 2fs1 h ASN 34 Ca -0.02 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 56.98 2fs1 h ASN 34 Cb 0.38 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.42 2fs1 h ASN 34 CO 0.03 0.00 -0.06 -1.13 -1.29 0.00 0.00 177.43 174.98 2fs1 h ASN 35 N 0.00 0.00 -4.17 1.15 -0.73 -1.49 -3.45 115.58 106.89 2fs1 h ASN 35 Ca 0.11 0.00 -0.53 0.00 1.87 0.00 0.00 56.30 57.75 2fs1 h ASN 35 Cb 0.95 0.00 0.15 0.00 0.27 0.00 0.00 38.32 39.69 2fs1 h ASN 35 CO -0.00 0.06 0.40 0.00 -0.37 0.00 0.00 177.43 177.52 2fs1 s ALA 36 N -3.63 2.20 -0.21 1.57 0.00 0.90 -4.97 121.76 117.61 2fs1 s ALA 36 Ca 0.01 0.87 0.03 0.00 0.00 0.00 0.00 51.96 52.88 2fs1 s ALA 36 Cb 0.09 -3.46 -0.20 0.00 0.00 0.00 0.00 23.12 19.55 2fs1 s ALA 36 CO 0.58 -1.74 -0.03 1.63 0.00 0.00 0.00 175.76 176.19 2fs1 n LYS 37 N -2.56 0.68 0.00 0.00 5.02 -1.26 -4.99 118.16 115.05 2fs1 n LYS 37 Ca 0.13 0.15 0.00 0.00 -2.02 0.00 0.00 58.31 56.58 2fs1 n LYS 37 Cb 0.50 -1.57 0.00 0.00 -0.02 0.00 0.00 35.03 33.94 2fs1 n LYS 37 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2fs1 n THR 38 N -3.22 0.00 0.00 -0.18 -2.24 -1.26 -5.09 114.28 102.29 2fs1 n THR 38 Ca -0.40 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 2fs1 n THR 38 Cb 1.03 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 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 -0.35 2.28 3.14 -1.26 -4.63 118.33 117.51 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 -0.17 0.49 0.00 -1.06 0.00 0.00 33.84 33.10 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 0.37 0.00 1.45 4.81 -1.98 0.60 114.58 119.82 2fs1 h GLU 40 Ca 0.00 -0.02 -0.16 0.00 -0.13 0.00 0.00 59.36 59.05 2fs1 h GLU 40 Cb 0.14 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 2fs1 h GLU 40 CO 0.00 0.24 -1.00 0.78 -0.73 0.00 0.00 179.01 178.30 2fs1 h GLY 41 N 0.38 0.00 1.00 1.92 0.00 -1.97 -3.20 103.07 101.20 2fs1 h GLY 41 Ca 0.67 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.00 2fs1 h GLY 41 CO -0.42 0.00 0.02 -2.08 0.00 0.00 0.00 176.54 174.06 2fs1 h VAL 42 N 0.00 1.01 -0.07 4.60 2.07 -0.09 0.98 116.25 124.75 2fs1 h VAL 42 Ca -0.08 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 2fs1 h VAL 42 Cb 1.56 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 32.30 2fs1 h VAL 42 CO 0.07 0.01 -0.06 1.05 0.02 0.00 0.00 177.57 178.66 2fs1 h GLU 43 N 0.03 0.16 0.00 1.57 4.11 -1.50 -2.93 114.58 116.02 2fs1 h GLU 43 Ca 0.01 -0.08 -0.02 0.00 0.07 0.00 0.00 59.36 59.34 2fs1 h GLU 43 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2fs1 h GLU 43 CO -0.00 0.59 -0.09 0.66 0.07 0.00 0.00 179.01 180.24 2fs1 h SER 44 N -0.27 0.00 0.65 3.06 4.64 -1.53 -2.53 113.55 117.56 2fs1 h SER 44 Ca 0.01 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.31 2fs1 h SER 44 Cb 0.56 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.64 2fs1 h SER 44 CO 0.02 0.09 -0.49 -0.07 -0.87 0.00 0.00 176.83 175.51 2fs1 h LEU 45 N 0.00 -1.28 -0.08 5.97 -0.00 0.12 0.38 115.31 120.42 2fs1 h LEU 45 Ca -0.00 0.09 -0.04 0.00 -0.00 0.00 0.00 57.88 57.93 2fs1 h LEU 45 Cb 0.39 0.40 -0.00 0.00 -0.00 0.00 0.00 40.66 41.45 2fs1 h LEU 45 CO 0.01 -0.70 -0.10 0.50 -0.00 0.00 0.00 178.44 178.16 2fs1 h LYS 46 N -1.09 0.21 -0.20 1.13 3.11 -1.56 -1.79 116.57 116.38 2fs1 h LYS 46 Ca -0.08 -0.12 0.06 0.00 -2.81 0.00 0.00 60.65 57.70 2fs1 h LYS 46 Cb 0.91 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 32.14 2fs1 h LYS 46 CO 0.03 0.66 0.19 -0.97 -2.81 0.00 0.00 179.45 176.55 2fs1 h ASN 47 N -0.22 0.00 0.38 4.20 -1.24 -1.45 0.12 115.58 117.36 2fs1 h ASN 47 Ca 0.01 0.00 -0.29 0.00 0.71 0.00 0.00 56.30 56.73 2fs1 h ASN 47 Cb 0.62 0.00 0.02 0.00 0.73 0.00 0.00 38.32 39.69 2fs1 h ASN 47 CO 0.02 0.00 -1.28 -0.08 -1.29 0.00 0.00 177.43 174.81 2fs1 h GLU 48 N 0.00 0.45 0.00 6.67 4.81 -0.06 -2.35 114.58 124.10 2fs1 h GLU 48 Ca 0.10 -0.68 -0.03 0.00 -0.13 0.00 0.00 59.36 58.61 2fs1 h GLU 48 Cb 0.48 0.24 -0.00 0.00 0.63 0.00 0.00 28.75 30.10 2fs1 h GLU 48 CO -0.00 1.31 -0.16 -0.84 -0.73 0.00 0.00 179.01 178.58 2fs1 h ILE 49 N 0.16 1.00 0.06 2.32 3.07 0.06 -1.72 117.51 122.46 2fs1 h ILE 49 Ca -0.18 -0.58 -0.24 0.00 1.55 0.00 0.00 64.86 65.42 2fs1 h ILE 49 Cb 1.97 1.32 -0.01 0.00 -0.27 0.00 0.00 36.82 39.83 2fs1 h ILE 49 CO 0.23 0.16 -1.07 -0.07 -1.05 0.00 0.00 178.15 176.34 2fs1 h LEU 50 N 0.00 0.26 -2.57 0.16 3.38 -1.05 -1.00 115.31 114.51 2fs1 h LEU 50 Ca -0.00 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2fs1 h LEU 50 Cb 0.31 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2fs1 h LEU 50 CO 0.02 1.16 0.00 0.11 0.09 0.00 0.00 178.44 179.83 2fs1 h LYS 51 N 0.07 0.00 -0.94 1.13 1.57 -0.75 -3.21 116.57 114.44 2fs1 h LYS 51 Ca -0.07 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.35 2fs1 h LYS 51 Cb 1.79 0.00 -0.27 0.00 0.08 0.00 0.00 32.23 33.83 2fs1 h LYS 51 CO 0.16 0.00 -0.81 0.00 -0.57 0.00 0.00 179.45 178.24 2fs1 n ALA 52 N -2.07 0.69 0.32 3.86 0.00 -1.12 -5.00 120.51 117.19 2fs1 n ALA 52 Ca -0.02 -2.39 -0.14 0.00 0.00 0.00 0.00 53.44 50.89 2fs1 n ALA 52 Cb 0.12 -1.04 -0.07 0.00 0.00 0.00 0.00 19.45 18.46 2fs1 n ALA 52 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2fs1 h LEU 53 N 2.96 -0.72 -6.20 0.00 6.46 -1.19 -3.34 115.31 113.29 2fs1 h LEU 53 Ca -0.02 -0.01 -0.59 0.00 -0.12 0.00 0.00 57.88 57.15 2fs1 h LEU 53 Cb 1.05 0.19 0.04 0.00 -0.73 0.00 0.00 40.66 41.20 2fs1 h LEU 53 CO 0.30 -0.34 2.42 -0.81 -0.62 0.00 0.00 178.44 179.39 2fs1 n PRO 54 N -5.35 1.71 -3.51 5.25 -0.04 -1.26 -4.88 135.00 126.91 2fs1 n PRO 54 Ca -0.11 -1.79 -0.21 0.00 -0.04 0.00 0.00 63.50 61.34 2fs1 n PRO 54 Cb 0.35 -2.83 -0.02 0.00 -0.04 0.00 0.00 33.50 30.97 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 4.53 2.52 -2.03 0.52 -4.23 -1.25 -5.25 115.64 110.44 2fs1 s THR 55 Ca 0.53 -1.30 0.32 0.00 -1.18 0.00 0.00 61.69 60.05 2fs1 s THR 55 Cb 0.13 -2.82 0.89 0.00 1.34 0.00 0.00 72.50 72.04 2fs1 s THR 55 CO 0.07 0.00 2.20 -0.62 -0.54 0.00 0.00 174.62 175.73