#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fs1 s GLU 2 N 0.00 0.56 0.00 0.03 2.12 -1.26 -5.05 118.70 115.11 2fs1 s GLU 2 Ca 0.00 1.18 0.00 0.00 0.36 0.00 0.00 54.97 56.51 2fs1 s GLU 2 Cb 0.00 0.32 0.00 0.00 0.26 0.00 0.00 34.13 34.71 2fs1 s GLU 2 CO 0.00 -0.18 0.00 0.00 -0.54 0.00 0.00 175.26 174.54 2fs1 n ALA 3 N 4.74 0.00 -2.72 6.30 0.00 -1.26 -5.01 120.51 122.55 2fs1 n ALA 3 Ca -0.17 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.24 2fs1 n ALA 3 Cb 0.54 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.09 2fs1 n ALA 3 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2fs1 n VAL 4 N -0.84 0.44 0.14 0.00 0.31 -1.26 -4.94 118.33 112.18 2fs1 n VAL 4 Ca 0.00 -1.79 0.14 0.00 -0.01 0.00 0.00 64.34 62.67 2fs1 n VAL 4 Cb 0.00 1.06 0.66 0.00 -0.91 0.00 0.00 33.84 34.65 2fs1 n VAL 4 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 2fs1 h ASP 5 N 1.78 0.00 -0.27 4.52 3.58 -1.96 -0.70 116.42 123.38 2fs1 h ASP 5 Ca -0.31 0.00 0.04 0.00 0.42 0.00 0.00 57.03 57.19 2fs1 h ASP 5 Cb 1.28 -0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.32 2fs1 h ASP 5 CO -0.01 0.00 0.18 0.00 -2.88 0.00 0.00 179.24 176.54 2fs1 h ALA 6 N 1.88 2.04 -0.12 -0.78 0.00 -1.99 -0.94 119.26 119.35 2fs1 h ALA 6 Ca 0.12 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 2fs1 h ALA 6 Cb 0.47 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 2fs1 h ALA 6 CO -0.00 -0.10 -0.06 -0.97 0.00 0.00 0.00 179.25 178.13 2fs1 h ASN 7 N 0.16 0.25 -0.00 0.00 -1.24 -1.54 -1.09 115.58 112.13 2fs1 h ASN 7 Ca 0.12 -0.41 -0.05 0.00 0.71 0.00 0.00 56.30 56.66 2fs1 h ASN 7 Cb 0.26 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 39.23 2fs1 h ASN 7 CO -0.02 0.61 -0.13 0.28 -1.29 0.00 0.00 177.43 176.88 2fs1 h SER 8 N -0.10 0.26 -0.21 1.15 0.02 -1.45 -2.72 113.55 110.50 2fs1 h SER 8 Ca 0.03 -0.06 -0.07 0.00 -0.84 0.00 0.00 61.79 60.85 2fs1 h SER 8 Cb 0.52 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.98 2fs1 h SER 8 CO 0.02 0.42 -0.16 0.25 -1.14 0.00 0.00 176.83 176.22 2fs1 h LEU 9 N 0.26 0.50 -2.02 5.07 6.46 -1.06 -2.96 115.31 121.56 2fs1 h LEU 9 Ca 0.05 -0.45 0.00 0.00 -0.12 0.00 0.00 57.88 57.36 2fs1 h LEU 9 Cb 0.40 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.19 2fs1 h LEU 9 CO 0.02 0.84 0.00 0.00 -0.62 0.00 0.00 178.44 178.69 2fs1 h ALA 10 N 0.67 1.00 0.19 1.25 0.00 -0.91 -2.61 119.26 118.85 2fs1 h ALA 10 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.68 2fs1 h ALA 10 Cb 0.68 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.50 2fs1 h ALA 10 CO 0.04 0.00 -1.18 0.37 0.00 0.00 0.00 179.25 178.48 2fs1 h GLN 11 N 0.00 0.40 -0.92 0.00 4.15 -1.33 0.34 115.11 117.75 2fs1 h GLN 11 Ca 0.00 -0.69 0.18 0.00 0.77 0.00 0.00 58.65 58.91 2fs1 h GLN 11 Cb 0.17 0.26 -0.08 0.00 0.21 0.00 0.00 27.48 28.04 2fs1 h GLN 11 CO 0.00 1.33 0.60 0.00 -1.93 0.00 0.00 178.83 178.83 2fs1 h ALA 12 N 0.10 1.98 0.00 3.38 0.00 -1.38 1.78 119.26 125.12 2fs1 h ALA 12 Ca -0.21 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 2fs1 h ALA 12 Cb 1.90 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.60 2fs1 h ALA 12 CO 0.20 -0.28 -0.77 1.57 0.00 0.00 0.00 179.25 179.97 2fs1 h LYS 13 N 0.57 0.00 -0.99 0.00 2.10 -1.61 0.34 116.57 116.98 2fs1 h LYS 13 Ca 0.49 0.00 0.23 0.00 -2.00 0.00 0.00 60.65 59.37 2fs1 h LYS 13 Cb 0.98 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 32.22 2fs1 h LYS 13 CO -0.23 0.67 0.63 0.93 -2.00 0.00 0.00 179.45 179.46 2fs1 h GLU 14 N -1.00 0.49 0.02 0.07 5.08 0.05 1.47 114.58 120.77 2fs1 h GLU 14 Ca -0.18 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.12 2fs1 h GLU 14 Cb 0.95 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.10 2fs1 h GLU 14 CO -0.11 0.33 -0.15 0.00 -1.00 0.00 0.00 179.01 178.07 2fs1 h ALA 15 N 1.63 -0.01 -0.10 3.43 0.00 0.26 -3.11 119.26 121.36 2fs1 h ALA 15 Ca 0.56 -0.53 0.03 0.00 0.00 0.00 0.00 54.91 54.97 2fs1 h ALA 15 Cb 1.25 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 2fs1 h ALA 15 CO -0.30 0.06 0.11 0.00 0.00 0.00 0.00 179.25 179.12 2fs1 h ALA 16 N 0.04 1.70 -0.06 0.00 0.00 0.77 0.95 119.26 122.66 2fs1 h ALA 16 Ca -0.03 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.70 2fs1 h ALA 16 Cb 1.10 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2fs1 h ALA 16 CO 0.03 -0.16 -0.73 0.82 0.00 0.00 0.00 179.25 179.21 2fs1 h ILE 17 N 0.00 1.40 0.00 0.00 2.04 0.19 -2.72 117.51 118.42 2fs1 h ILE 17 Ca 0.05 -2.18 -0.01 0.00 1.00 0.00 0.00 64.86 63.72 2fs1 h ILE 17 Cb 0.26 2.15 -0.00 0.00 -0.74 0.00 0.00 36.82 38.49 2fs1 h ILE 17 CO -0.00 0.65 -0.04 0.11 0.00 0.00 0.00 178.15 178.87 2fs1 h LYS 18 N 0.22 0.00 0.16 2.37 6.56 -0.73 -1.81 116.57 123.33 2fs1 h LYS 18 Ca -0.03 0.00 -0.33 0.00 -1.06 0.00 0.00 60.65 59.24 2fs1 h LYS 18 Cb 1.29 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.95 2fs1 h LYS 18 CO 0.12 0.04 -1.65 0.93 -2.06 0.00 0.00 179.45 176.83 2fs1 h GLU 19 N 0.00 0.33 -0.17 3.15 4.39 -1.40 -2.00 114.58 118.89 2fs1 h GLU 19 Ca -0.00 -0.56 -0.01 0.00 0.34 0.00 0.00 59.36 59.12 2fs1 h GLU 19 Cb 0.24 0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 2fs1 h GLU 19 CO 0.01 1.27 0.04 1.25 -1.16 0.00 0.00 179.01 180.41 2fs1 h LEU 20 N -0.05 0.21 0.10 1.33 5.85 -1.16 0.68 115.31 122.28 2fs1 h LEU 20 Ca -0.34 -0.02 -0.30 0.00 0.84 0.00 0.00 57.88 58.07 2fs1 h LEU 20 Cb 1.97 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.93 2fs1 h LEU 20 CO 0.13 0.22 -1.52 0.07 -0.34 0.00 0.00 178.44 177.00 2fs1 h LYS 21 N 0.23 0.22 0.00 1.25 5.09 -1.45 -1.16 116.57 120.75 2fs1 h LYS 21 Ca 0.06 -0.37 -0.11 0.00 0.09 0.00 0.00 60.65 60.32 2fs1 h LYS 21 Cb 0.10 0.14 -0.02 0.00 0.10 0.00 0.00 32.23 32.55 2fs1 h LYS 21 CO -0.00 1.07 -0.53 0.37 -2.09 0.00 0.00 179.45 178.26 2fs1 h GLN 22 N 0.06 0.00 0.17 0.07 5.75 -0.66 -3.16 115.11 117.33 2fs1 h GLN 22 Ca -0.23 0.00 -0.33 0.00 -0.15 0.00 0.00 58.65 57.93 2fs1 h GLN 22 Cb 2.00 0.00 0.01 0.00 1.07 0.00 0.00 27.48 30.56 2fs1 h GLN 22 CO 0.15 0.53 -1.63 1.88 -2.65 0.00 0.00 178.83 177.11 2fs1 h TYR 23 N 0.00 0.66 0.00 3.99 0.05 0.28 -3.49 116.97 118.46 2fs1 h TYR 23 Ca -0.01 -0.48 0.00 0.00 0.05 0.00 0.00 58.73 58.30 2fs1 h TYR 23 Cb 1.01 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.72 2fs1 h TYR 23 CO 0.00 1.55 0.00 0.41 -1.05 0.00 0.00 178.16 179.07 2fs1 n GLY 24 N 1.77 0.76 3.23 3.88 0.00 -0.67 -5.08 105.19 109.08 2fs1 n GLY 24 Ca -0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.97 0.00 -2.73 -0.61 5.41 -0.53 -4.94 119.36 115.00 2fs1 n ILE 25 Ca 0.00 -0.24 -0.33 0.00 1.00 0.00 0.00 62.75 63.17 2fs1 n ILE 25 Cb 0.00 -0.66 -0.06 0.00 -0.71 0.00 0.00 39.64 38.21 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 -2.04 2.43 0.62 7.39 0.00 -1.26 -4.79 107.32 109.67 2fs1 s GLY 26 Ca 0.54 0.47 0.36 0.00 0.00 0.00 0.00 44.72 46.09 2fs1 s GLY 26 CO 0.58 0.76 2.30 -0.55 0.00 0.00 0.00 173.10 176.20 2fs1 h ASP 27 N 1.80 0.00 -0.73 1.64 5.19 -1.93 -2.57 116.42 119.82 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 0.00 -0.05 0.22 -3.12 0.00 0.00 179.24 176.90 2fs1 h TYR 28 N 0.00 -0.15 0.00 4.55 3.20 -1.99 0.29 116.97 122.87 2fs1 h TYR 28 Ca -0.00 0.06 -0.04 0.00 3.14 0.00 0.00 58.73 61.89 2fs1 h TYR 28 Cb 0.01 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 2fs1 h TYR 28 CO 0.00 -0.26 -0.20 1.88 -1.64 0.00 0.00 178.16 177.94 2fs1 h TYR 29 N 0.07 0.00 -0.05 -3.82 0.05 -1.85 0.38 116.97 111.75 2fs1 h TYR 29 Ca 0.38 0.00 -0.17 0.00 0.05 0.00 0.00 58.73 58.99 2fs1 h TYR 29 Cb 0.65 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.38 2fs1 h TYR 29 CO -0.46 0.20 -0.73 -0.84 -1.05 0.00 0.00 178.16 175.28 2fs1 h ILE 30 N 0.00 1.42 0.03 -2.88 -0.00 -0.60 -3.02 117.51 112.46 2fs1 h ILE 30 Ca -0.00 -2.23 -0.08 0.00 -0.00 0.00 0.00 64.86 62.55 2fs1 h ILE 30 Cb 0.87 2.18 -0.00 0.00 -0.00 0.00 0.00 36.82 39.87 2fs1 h ILE 30 CO 0.03 0.66 -0.40 0.11 -0.00 0.00 0.00 178.15 178.55 2fs1 h LYS 31 N 0.18 0.06 0.00 0.16 6.56 -0.82 -3.26 116.57 119.45 2fs1 h LYS 31 Ca -0.03 -0.10 0.00 0.00 -1.06 0.00 0.00 60.65 59.47 2fs1 h LYS 31 Cb 1.29 0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.99 2fs1 h LYS 31 CO 0.12 1.05 0.41 1.37 -2.06 0.00 0.00 179.45 180.33 2fs1 h LEU 32 N -0.87 0.00 0.12 2.94 -0.00 -0.31 -0.23 115.31 116.95 2fs1 h LEU 32 Ca -0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.78 2fs1 h LEU 32 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.85 2fs1 h LEU 32 CO -0.01 0.00 -0.06 0.40 -0.00 0.00 0.00 178.44 178.78 2fs1 h ILE 33 N 0.00 0.50 -0.22 0.15 2.04 -1.58 -3.28 117.51 115.13 2fs1 h ILE 33 Ca 0.00 -1.18 0.06 0.00 1.00 0.00 0.00 64.86 64.75 2fs1 h ILE 33 Cb 0.82 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.80 2fs1 h ILE 33 CO 0.00 0.15 0.36 -1.13 0.00 0.00 0.00 178.15 177.54 2fs1 h ASN 34 N -0.99 0.00 0.71 1.72 -0.73 -1.10 0.17 115.58 115.36 2fs1 h ASN 34 Ca -0.02 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.14 2fs1 h ASN 34 Cb 0.37 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 38.96 2fs1 h ASN 34 CO 0.03 0.00 -0.04 0.78 -0.37 0.00 0.00 177.43 177.82 2fs1 h ASN 35 N 0.00 0.00 -3.91 1.15 2.35 -1.48 -3.44 115.58 110.25 2fs1 h ASN 35 Ca 0.10 0.00 -0.51 0.00 -0.55 0.00 0.00 56.30 55.34 2fs1 h ASN 35 Cb 0.83 0.00 0.05 0.00 0.05 0.00 0.00 38.32 39.26 2fs1 h ASN 35 CO -0.00 0.04 0.55 0.00 -1.65 0.00 0.00 177.43 176.37 2fs1 s ALA 36 N -3.84 3.28 -0.05 -0.83 0.00 0.60 -4.95 121.76 115.97 2fs1 s ALA 36 Ca -0.01 1.07 0.05 0.00 0.00 0.00 0.00 51.96 53.07 2fs1 s ALA 36 Cb 0.10 -3.41 -0.24 0.00 0.00 0.00 0.00 23.12 19.57 2fs1 s ALA 36 CO 0.53 -0.55 0.63 0.87 0.00 0.00 0.00 175.76 177.25 2fs1 h LYS 37 N 2.97 0.10 0.00 0.00 6.56 -1.88 -3.47 116.57 120.85 2fs1 h LYS 37 Ca -0.49 -0.17 0.00 0.00 -1.06 0.00 0.00 60.65 58.93 2fs1 h LYS 37 Cb 1.23 0.06 0.00 0.00 -0.57 0.00 0.00 32.23 32.96 2fs1 h LYS 37 CO 0.64 0.78 0.00 0.25 -2.06 0.00 0.00 179.45 179.06 2fs1 n THR 38 N -3.23 0.00 0.00 -0.16 -2.24 -1.26 -5.09 114.28 102.31 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 1.05 -0.56 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 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 -0.33 2.28 3.14 -1.26 -4.66 118.33 117.50 2fs1 n VAL 39 Ca 0.00 0.00 0.17 0.00 -2.96 0.00 0.00 64.34 61.55 2fs1 n VAL 39 Cb 0.00 -0.07 0.40 0.00 -1.06 0.00 0.00 33.84 33.11 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 0.57 0.00 1.45 3.07 -1.98 0.19 114.58 117.88 2fs1 h GLU 40 Ca 0.00 -0.03 -0.22 0.00 -0.50 0.00 0.00 59.36 58.61 2fs1 h GLU 40 Cb 0.05 -0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 27.80 2fs1 h GLU 40 CO 0.00 0.38 -1.10 0.78 -1.40 0.00 0.00 179.01 177.66 2fs1 h GLY 41 N 0.59 0.00 0.71 -3.84 0.00 -1.98 -3.18 103.07 95.37 2fs1 h GLY 41 Ca 0.60 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.95 2fs1 h GLY 41 CO -0.37 0.00 -0.08 -2.08 0.00 0.00 0.00 176.54 174.00 2fs1 h VAL 42 N 0.00 0.77 0.27 4.60 2.07 -0.92 1.01 116.25 124.05 2fs1 h VAL 42 Ca -0.06 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 2fs1 h VAL 42 Cb 1.79 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 32.33 2fs1 h VAL 42 CO 0.12 0.00 -0.13 1.05 0.02 0.00 0.00 177.57 178.63 2fs1 h GLU 43 N -0.11 -0.34 0.00 1.57 4.11 -1.53 -2.98 114.58 115.30 2fs1 h GLU 43 Ca 0.05 0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.50 2fs1 h GLU 43 Cb 0.19 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 2fs1 h GLU 43 CO -0.13 -0.00 -0.04 1.03 0.07 0.00 0.00 179.01 179.94 2fs1 h SER 44 N -0.76 0.00 0.43 3.06 0.87 -1.52 -2.47 113.55 113.16 2fs1 h SER 44 Ca -0.04 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.52 2fs1 h SER 44 Cb 0.50 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.43 2fs1 h SER 44 CO 0.06 0.04 -0.50 -0.07 -0.53 0.00 0.00 176.83 175.83 2fs1 h LEU 45 N 0.00 -1.38 -0.40 2.23 -0.00 0.12 0.95 115.31 116.84 2fs1 h LEU 45 Ca -0.00 0.12 -0.11 0.00 -0.00 0.00 0.00 57.88 57.88 2fs1 h LEU 45 Cb 0.15 0.47 -0.01 0.00 -0.00 0.00 0.00 40.66 41.27 2fs1 h LEU 45 CO 0.00 -0.64 -0.20 0.50 -0.00 0.00 0.00 178.44 178.11 2fs1 h LYS 46 N -0.95 0.83 0.00 1.13 3.11 -1.55 -1.59 116.57 117.56 2fs1 h LYS 46 Ca -0.05 -0.37 -0.01 0.00 -2.81 0.00 0.00 60.65 57.42 2fs1 h LYS 46 Cb 0.84 -0.02 -0.00 0.00 -1.00 0.00 0.00 32.23 32.05 2fs1 h LYS 46 CO -0.10 1.00 -0.03 -0.91 -2.81 0.00 0.00 179.45 176.60 2fs1 h ASN 47 N 0.64 0.00 0.52 4.20 2.35 -1.22 0.05 115.58 122.11 2fs1 h ASN 47 Ca 0.09 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.59 2fs1 h ASN 47 Cb 0.76 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.13 2fs1 h ASN 47 CO 0.06 0.03 -1.10 -0.08 -1.65 0.00 0.00 177.43 174.69 2fs1 h GLU 48 N 0.00 0.32 0.00 0.81 4.22 0.13 -1.83 114.58 118.23 2fs1 h GLU 48 Ca -0.00 -0.44 -0.07 0.00 0.08 0.00 0.00 59.36 58.94 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 -0.32 -0.84 -2.18 0.00 0.00 179.01 176.83 2fs1 h ILE 49 N 0.13 1.18 0.06 2.32 3.07 -0.16 -2.41 117.51 121.71 2fs1 h ILE 49 Ca -0.11 -1.12 -0.24 0.00 1.55 0.00 0.00 64.86 64.94 2fs1 h ILE 49 Cb 1.79 1.61 -0.01 0.00 -0.27 0.00 0.00 36.82 39.94 2fs1 h ILE 49 CO 0.18 0.32 -1.12 -0.07 -1.05 0.00 0.00 178.15 176.41 2fs1 h LEU 50 N 0.00 0.22 -2.61 0.16 3.38 -0.98 -1.44 115.31 114.04 2fs1 h LEU 50 Ca -0.00 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 2fs1 h LEU 50 Cb 0.59 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 2fs1 h LEU 50 CO 0.04 1.18 -0.01 0.50 0.09 0.00 0.00 178.44 180.24 2fs1 h LYS 51 N 0.04 0.00 -1.26 1.13 3.64 -0.81 -3.13 116.57 116.17 2fs1 h LYS 51 Ca -0.07 0.00 -0.39 0.00 -1.27 0.00 0.00 60.65 58.92 2fs1 h LYS 51 Cb 1.86 0.00 -0.33 0.00 -0.41 0.00 0.00 32.23 33.35 2fs1 h LYS 51 CO 0.17 0.01 -0.98 0.00 -2.27 0.00 0.00 179.45 176.38 2fs1 n ALA 52 N -2.19 1.59 -2.53 5.00 0.00 -1.15 -5.10 120.51 116.14 2fs1 n ALA 52 Ca -0.03 -2.79 -0.43 0.00 0.00 0.00 0.00 53.44 50.19 2fs1 n ALA 52 Cb 0.11 -0.99 -0.02 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 -2.57 3.70 1.14 0.00 0.20 -0.55 -4.91 118.68 115.70 2fs1 s LEU 53 Ca 0.33 0.74 -0.19 0.00 0.69 0.00 0.00 54.13 55.69 2fs1 s LEU 53 Cb 0.36 -3.55 0.27 0.00 -0.43 0.00 0.00 46.19 42.85 2fs1 s LEU 53 CO -0.05 -1.21 1.22 -2.16 -0.29 0.00 0.00 176.35 173.85 2fs1 s PRO 54 N 4.39 -0.78 -0.16 0.98 0.04 -1.26 -5.05 135.00 133.17 2fs1 s PRO 54 Ca 0.51 -0.34 -0.07 0.00 0.04 0.00 0.00 61.00 61.15 2fs1 s PRO 54 Cb -0.11 -1.67 -0.07 0.00 0.04 0.00 0.00 34.50 32.69 2fs1 s PRO 54 CO 0.28 -3.37 -0.19 0.25 0.04 0.00 0.00 177.00 174.01 2fs1 n THR 55 N -4.46 0.86 -0.50 1.26 -2.24 -1.26 -5.16 114.28 102.78 2fs1 n THR 55 Ca 0.16 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 2fs1 n THR 55 Cb 0.60 -1.61 0.00 0.00 -2.10 0.00 0.00 70.33 67.21 2fs1 n THR 55 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71