#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 3.05 0.00 0.03 0.41 -1.26 -4.92 118.70 116.01 2fs1 s GLU 2 Ca 0.00 0.60 0.00 0.00 -0.41 0.00 0.00 54.97 55.16 2fs1 s GLU 2 Cb 0.00 -2.03 0.00 0.00 -1.78 0.00 0.00 34.13 30.32 2fs1 s GLU 2 CO 0.00 -0.93 0.00 0.00 -0.49 0.00 0.00 175.26 173.84 2fs1 n ALA 3 N -2.96 0.00 -2.07 5.21 0.00 -1.26 -4.99 120.51 114.44 2fs1 n ALA 3 Ca 0.07 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.46 2fs1 n ALA 3 Cb 0.56 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.95 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 -1.59 0.00 0.26 0.00 0.24 -1.26 -4.93 118.33 111.04 2fs1 n VAL 4 Ca 0.00 -0.14 0.13 0.00 -2.04 0.00 0.00 64.34 62.29 2fs1 n VAL 4 Cb 0.00 0.55 0.64 0.00 -1.47 0.00 0.00 33.84 33.56 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 0.14 0.00 -0.87 -1.34 2.03 -1.94 -2.99 116.42 111.45 2fs1 h ASP 5 Ca -0.49 0.00 0.19 0.00 -0.73 0.00 0.00 57.03 56.00 2fs1 h ASP 5 Cb 1.46 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 39.90 2fs1 h ASP 5 CO -0.22 0.12 0.58 0.00 -1.03 0.00 0.00 179.24 178.69 2fs1 h ALA 6 N 1.88 2.16 -0.15 4.15 0.00 -1.98 0.35 119.26 125.67 2fs1 h ALA 6 Ca -0.00 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2fs1 h ALA 6 Cb 0.53 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2fs1 h ALA 6 CO 0.02 -0.43 0.00 -0.97 0.00 0.00 0.00 179.25 177.87 2fs1 h ASN 7 N 0.43 0.25 0.27 0.00 -0.73 -1.95 -0.86 115.58 112.98 2fs1 h ASN 7 Ca 0.45 -0.30 -0.11 0.00 1.87 0.00 0.00 56.30 58.21 2fs1 h ASN 7 Cb 1.08 -0.07 -0.01 0.00 0.27 0.00 0.00 38.32 39.59 2fs1 h ASN 7 CO -0.17 0.49 -0.42 0.77 -0.37 0.00 0.00 177.43 177.73 2fs1 h SER 8 N 0.00 0.21 -0.30 1.15 4.64 -1.34 -3.00 113.55 114.91 2fs1 h SER 8 Ca 0.04 -0.09 -0.04 0.00 -0.47 0.00 0.00 61.79 61.23 2fs1 h SER 8 Cb 0.36 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 2fs1 h SER 8 CO 0.01 0.61 0.02 0.25 -0.87 0.00 0.00 176.83 176.84 2fs1 h LEU 9 N 0.17 0.51 -2.15 5.97 6.46 -0.18 -2.69 115.31 123.39 2fs1 h LEU 9 Ca 0.01 -0.29 0.00 0.00 -0.12 0.00 0.00 57.88 57.48 2fs1 h LEU 9 Cb 0.82 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.61 2fs1 h LEU 9 CO 0.06 0.67 0.00 0.00 -0.62 0.00 0.00 178.44 178.56 2fs1 h ALA 10 N 0.85 1.00 0.16 1.25 0.00 -1.04 -2.79 119.26 118.70 2fs1 h ALA 10 Ca 0.09 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.76 2fs1 h ALA 10 Cb 0.40 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.21 2fs1 h ALA 10 CO 0.01 0.00 -1.10 0.37 0.00 0.00 0.00 179.25 178.54 2fs1 h GLN 11 N 0.00 0.34 -0.92 0.00 4.15 -1.35 0.26 115.11 117.58 2fs1 h GLN 11 Ca 0.00 -0.58 0.19 0.00 0.77 0.00 0.00 58.65 59.03 2fs1 h GLN 11 Cb 0.23 0.22 -0.07 0.00 0.21 0.00 0.00 27.48 28.06 2fs1 h GLN 11 CO 0.00 1.28 0.60 0.00 -1.93 0.00 0.00 178.83 178.78 2fs1 h ALA 12 N 0.07 2.05 0.00 3.38 0.00 -1.23 1.77 119.26 125.30 2fs1 h ALA 12 Ca -0.20 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 2fs1 h ALA 12 Cb 1.78 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.51 2fs1 h ALA 12 CO 0.16 -0.35 -0.74 1.57 0.00 0.00 0.00 179.25 179.89 2fs1 h LYS 13 N 0.52 0.00 -1.00 0.00 2.10 -1.62 -0.13 116.57 116.44 2fs1 h LYS 13 Ca 0.49 0.00 0.22 0.00 -2.00 0.00 0.00 60.65 59.36 2fs1 h LYS 13 Cb 1.06 0.00 -0.10 0.00 -0.90 0.00 0.00 32.23 32.28 2fs1 h LYS 13 CO -0.22 0.64 0.62 0.93 -2.00 0.00 0.00 179.45 179.42 2fs1 h GLU 14 N -1.00 0.56 0.08 0.07 4.39 -0.07 1.06 114.58 119.65 2fs1 h GLU 14 Ca -0.17 -0.03 -0.13 0.00 0.34 0.00 0.00 59.36 59.37 2fs1 h GLU 14 Cb 0.92 -0.13 0.01 0.00 -0.10 0.00 0.00 28.75 29.46 2fs1 h GLU 14 CO -0.10 0.37 -0.57 0.00 -1.16 0.00 0.00 179.01 177.55 2fs1 h ALA 15 N 1.65 -0.03 -0.02 3.43 0.00 0.26 -3.20 119.26 121.34 2fs1 h ALA 15 Ca 0.58 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2fs1 h ALA 15 Cb 1.17 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 2fs1 h ALA 15 CO -0.34 0.27 0.02 0.00 0.00 0.00 0.00 179.25 179.19 2fs1 h ALA 16 N 0.13 1.60 -0.36 0.00 0.00 0.98 -0.92 119.26 120.70 2fs1 h ALA 16 Ca -0.09 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.65 2fs1 h ALA 16 Cb 1.40 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 2fs1 h ALA 16 CO 0.11 -0.02 -0.41 0.82 0.00 0.00 0.00 179.25 179.74 2fs1 h ILE 17 N 0.00 1.27 -0.40 0.00 2.04 0.10 -2.71 117.51 117.81 2fs1 h ILE 17 Ca 0.01 -1.59 0.10 0.00 1.00 0.00 0.00 64.86 64.38 2fs1 h ILE 17 Cb 0.04 1.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 2fs1 h ILE 17 CO -0.00 0.53 0.28 0.50 0.00 0.00 0.00 178.15 179.46 2fs1 h LYS 18 N 0.74 0.08 0.12 2.37 3.64 -1.16 -0.74 116.57 121.62 2fs1 h LYS 18 Ca 0.05 -0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.13 2fs1 h LYS 18 Cb 1.01 -0.02 0.03 0.00 -0.41 0.00 0.00 32.23 32.84 2fs1 h LYS 18 CO 0.10 0.05 -1.25 0.93 -2.27 0.00 0.00 179.45 177.02 2fs1 h GLU 19 N 0.08 0.62 -0.11 1.90 5.08 -1.46 -0.88 114.58 119.81 2fs1 h GLU 19 Ca 0.19 -0.82 -0.02 0.00 -1.00 0.00 0.00 59.36 57.70 2fs1 h GLU 19 Cb 0.64 0.27 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 2fs1 h GLU 19 CO -0.02 1.38 -0.02 -0.07 -1.00 0.00 0.00 179.01 179.28 2fs1 h LEU 20 N 0.28 0.14 0.19 1.33 4.07 -0.88 0.79 115.31 121.22 2fs1 h LEU 20 Ca -0.19 -0.01 -0.34 0.00 0.08 0.00 0.00 57.88 57.42 2fs1 h LEU 20 Cb 1.92 -0.04 0.01 0.00 1.08 0.00 0.00 40.66 43.64 2fs1 h LEU 20 CO 0.24 0.19 -1.61 0.07 -1.08 0.00 0.00 178.44 176.25 2fs1 h LYS 21 N 0.15 0.40 0.00 1.13 2.10 -1.25 -1.88 116.57 117.22 2fs1 h LYS 21 Ca 0.04 -0.69 -0.10 0.00 -2.00 0.00 0.00 60.65 57.90 2fs1 h LYS 21 Cb 0.15 0.26 -0.01 0.00 -0.90 0.00 0.00 32.23 31.72 2fs1 h LYS 21 CO 0.00 1.31 -0.46 -0.56 -2.00 0.00 0.00 179.45 177.75 2fs1 h GLN 22 N 0.11 0.00 0.23 0.07 -0.00 -0.69 -3.15 115.11 111.69 2fs1 h GLN 22 Ca -0.29 0.00 -0.34 0.00 -0.00 0.00 0.00 58.65 58.02 2fs1 h GLN 22 Cb 2.10 0.00 0.03 0.00 -0.00 0.00 0.00 27.48 29.61 2fs1 h GLN 22 CO 0.20 0.46 -1.52 1.88 -0.00 0.00 0.00 178.83 179.85 2fs1 h TYR 23 N 0.00 0.90 0.00 0.06 0.05 0.49 -3.49 116.97 114.99 2fs1 h TYR 23 Ca -0.00 -0.66 0.00 0.00 0.05 0.00 0.00 58.73 58.12 2fs1 h TYR 23 Cb 1.01 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.71 2fs1 h TYR 23 CO 0.00 1.56 0.00 0.41 -1.05 0.00 0.00 178.16 179.08 2fs1 n GLY 24 N 1.73 0.76 3.14 3.88 0.00 -0.77 -5.07 105.19 108.87 2fs1 n GLY 24 Ca -0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.98 0.00 -1.95 -0.61 5.41 -0.85 -4.96 119.36 115.43 2fs1 n ILE 25 Ca 0.00 -0.17 -0.29 0.00 1.00 0.00 0.00 62.75 63.29 2fs1 n ILE 25 Cb 0.00 -0.50 0.05 0.00 -0.71 0.00 0.00 39.64 38.48 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 -1.81 1.62 0.45 7.39 0.00 -1.26 -4.80 107.32 108.90 2fs1 s GLY 26 Ca 0.46 -0.45 0.25 0.00 0.00 0.00 0.00 44.72 44.98 2fs1 s GLY 26 CO 0.53 -0.07 1.81 -0.55 0.00 0.00 0.00 173.10 174.83 2fs1 h ASP 27 N -0.68 0.00 -0.75 1.64 5.19 -1.94 -3.19 116.42 116.69 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 -0.06 0.22 -3.12 0.00 0.00 179.24 177.11 2fs1 h TYR 28 N 0.00 -0.16 0.00 4.55 5.03 -1.99 0.30 116.97 124.70 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 0.77 0.19 -0.01 0.00 1.55 0.00 0.00 36.73 39.24 2fs1 h TYR 28 CO 0.00 -0.27 -0.22 1.88 -1.32 0.00 0.00 178.16 178.23 2fs1 h TYR 29 N 0.06 0.00 -0.04 -3.82 0.05 -1.96 0.32 116.97 111.58 2fs1 h TYR 29 Ca 0.40 0.00 -0.18 0.00 0.05 0.00 0.00 58.73 59.00 2fs1 h TYR 29 Cb 0.68 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.41 2fs1 h TYR 29 CO -0.48 0.22 -0.76 -0.84 -1.05 0.00 0.00 178.16 175.25 2fs1 h ILE 30 N 0.00 1.43 0.03 -2.88 -0.00 -0.61 -3.04 117.51 112.43 2fs1 h ILE 30 Ca -0.00 -2.30 -0.08 0.00 -0.00 0.00 0.00 64.86 62.47 2fs1 h ILE 30 Cb 0.99 2.24 -0.00 0.00 -0.00 0.00 0.00 36.82 40.05 2fs1 h ILE 30 CO 0.03 0.68 -0.42 0.11 -0.00 0.00 0.00 178.15 178.54 2fs1 h LYS 31 N 0.17 0.07 0.00 0.16 1.57 -0.72 -3.27 116.57 114.55 2fs1 h LYS 31 Ca -0.03 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 2fs1 h LYS 31 Cb 1.34 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.69 2fs1 h LYS 31 CO 0.12 1.05 0.42 1.37 -0.57 0.00 0.00 179.45 181.85 2fs1 h LEU 32 N -0.85 0.00 0.12 2.94 -0.00 -0.45 -0.23 115.31 116.85 2fs1 h LEU 32 Ca -0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.78 2fs1 h LEU 32 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.87 2fs1 h LEU 32 CO -0.00 0.00 -0.06 0.40 -0.00 0.00 0.00 178.44 178.78 2fs1 h ILE 33 N 0.00 0.51 -0.24 0.15 2.04 -1.59 -3.27 117.51 115.12 2fs1 h ILE 33 Ca 0.00 -1.18 0.07 0.00 1.00 0.00 0.00 64.86 64.75 2fs1 h ILE 33 Cb 0.84 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 2fs1 h ILE 33 CO 0.00 0.16 0.41 -1.13 0.00 0.00 0.00 178.15 177.59 2fs1 h ASN 34 N -0.99 0.00 1.17 1.72 -1.24 -1.10 0.28 115.58 115.42 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 -0.07 0.78 -1.29 0.00 0.00 177.43 176.88 2fs1 h ASN 35 N 0.00 0.00 -4.07 1.15 4.21 -1.50 -3.45 115.58 111.93 2fs1 h ASN 35 Ca 0.11 0.00 -0.55 0.00 1.21 0.00 0.00 56.30 57.07 2fs1 h ASN 35 Cb 0.93 0.00 0.14 0.00 -1.12 0.00 0.00 38.32 38.28 2fs1 h ASN 35 CO -0.00 0.07 0.58 0.00 -1.29 0.00 0.00 177.43 176.79 2fs1 s ALA 36 N -3.57 2.69 -0.11 -0.83 0.00 0.98 -4.95 121.76 115.96 2fs1 s ALA 36 Ca 0.02 1.30 -0.03 0.00 0.00 0.00 0.00 51.96 53.25 2fs1 s ALA 36 Cb 0.09 -3.56 -0.25 0.00 0.00 0.00 0.00 23.12 19.39 2fs1 s ALA 36 CO 0.59 -1.44 0.40 1.63 0.00 0.00 0.00 175.76 176.95 2fs1 n LYS 37 N -1.30 0.74 0.00 0.00 4.01 -1.26 -4.96 118.16 115.39 2fs1 n LYS 37 Ca 0.12 0.26 0.00 0.00 -0.51 0.00 0.00 58.31 58.18 2fs1 n LYS 37 Cb 0.46 -1.72 0.00 0.00 -0.51 0.00 0.00 35.03 33.26 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 -3.39 0.00 0.00 -0.18 -2.24 -1.26 -5.09 114.28 102.11 2fs1 n THR 38 Ca -0.30 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 2fs1 n THR 38 Cb 1.05 -0.88 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 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 -0.28 2.28 3.14 -1.26 -4.52 118.33 117.69 2fs1 n VAL 39 Ca 0.00 0.00 0.28 0.00 -2.96 0.00 0.00 64.34 61.66 2fs1 n VAL 39 Cb 0.00 -0.27 0.64 0.00 -1.06 0.00 0.00 33.84 33.15 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 0.17 0.00 1.45 4.57 -1.98 0.37 114.58 119.16 2fs1 h GLU 40 Ca 0.00 -0.01 -0.26 0.00 -1.18 0.00 0.00 59.36 57.91 2fs1 h GLU 40 Cb 0.48 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.99 2fs1 h GLU 40 CO 0.00 0.11 -1.48 0.78 -1.18 0.00 0.00 179.01 177.24 2fs1 h GLY 41 N 0.18 0.00 0.72 1.92 0.00 -1.98 -3.22 103.07 100.69 2fs1 h GLY 41 Ca 0.53 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.89 2fs1 h GLY 41 CO -0.12 0.00 0.06 -2.08 0.00 0.00 0.00 176.54 174.39 2fs1 h VAL 42 N 0.00 0.89 0.12 4.60 2.07 -0.53 1.03 116.25 124.43 2fs1 h VAL 42 Ca -0.20 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 2fs1 h VAL 42 Cb 1.92 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 32.41 2fs1 h VAL 42 CO 0.09 0.03 -0.06 1.05 0.02 0.00 0.00 177.57 178.70 2fs1 h GLU 43 N 0.16 -0.15 0.00 1.57 4.11 -1.56 -3.02 114.58 115.69 2fs1 h GLU 43 Ca 0.12 0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.55 2fs1 h GLU 43 Cb 0.11 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 2fs1 h GLU 43 CO -0.15 0.30 -0.04 0.66 0.07 0.00 0.00 179.01 179.85 2fs1 h SER 44 N -0.67 0.00 0.76 3.06 4.64 -1.55 -2.04 113.55 117.74 2fs1 h SER 44 Ca -0.02 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.27 2fs1 h SER 44 Cb 0.52 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.60 2fs1 h SER 44 CO 0.03 0.04 -0.48 -0.07 -0.87 0.00 0.00 176.83 175.48 2fs1 h LEU 45 N 0.00 -1.21 -0.30 5.97 -0.00 0.13 0.52 115.31 120.42 2fs1 h LEU 45 Ca -0.00 0.07 -0.19 0.00 -0.00 0.00 0.00 57.88 57.76 2fs1 h LEU 45 Cb 0.15 0.35 0.00 0.00 -0.00 0.00 0.00 40.66 41.16 2fs1 h LEU 45 CO 0.00 -0.73 -0.54 0.50 -0.00 0.00 0.00 178.44 177.68 2fs1 h LYS 46 N -1.16 0.89 0.00 1.13 3.11 -1.53 -1.76 116.57 117.26 2fs1 h LYS 46 Ca -0.10 -0.56 -0.02 0.00 -2.81 0.00 0.00 60.65 57.16 2fs1 h LYS 46 Cb 0.93 0.06 -0.00 0.00 -1.00 0.00 0.00 32.23 32.22 2fs1 h LYS 46 CO 0.09 1.20 -0.09 -0.91 -2.81 0.00 0.00 179.45 176.93 2fs1 h ASN 47 N 0.69 0.00 0.47 4.20 2.35 -1.33 -0.55 115.58 121.41 2fs1 h ASN 47 Ca 0.02 0.00 -0.30 0.00 -0.55 0.00 0.00 56.30 55.47 2fs1 h ASN 47 Cb 1.15 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.54 2fs1 h ASN 47 CO 0.12 0.09 -1.31 -0.33 -1.65 0.00 0.00 177.43 174.35 2fs1 h GLU 48 N 0.00 0.39 0.00 0.81 5.08 0.31 -1.68 114.58 119.49 2fs1 h GLU 48 Ca -0.00 -0.64 -0.05 0.00 -1.00 0.00 0.00 59.36 57.67 2fs1 h GLU 48 Cb 0.23 0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 2fs1 h GLU 48 CO 0.01 1.30 -0.21 -0.84 -1.00 0.00 0.00 179.01 178.27 2fs1 h ILE 49 N 0.12 1.04 0.05 3.13 3.07 -0.35 -2.17 117.51 122.39 2fs1 h ILE 49 Ca -0.18 -0.76 -0.26 0.00 1.55 0.00 0.00 64.86 65.21 2fs1 h ILE 49 Cb 2.02 1.43 -0.02 0.00 -0.27 0.00 0.00 36.82 39.98 2fs1 h ILE 49 CO 0.23 0.21 -1.28 -0.07 -1.05 0.00 0.00 178.15 176.19 2fs1 h LEU 50 N 0.00 0.17 -2.25 0.16 3.38 -1.11 -2.37 115.31 113.29 2fs1 h LEU 50 Ca -0.00 -0.21 0.05 0.00 0.09 0.00 0.00 57.88 57.81 2fs1 h LEU 50 Cb 0.41 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2fs1 h LEU 50 CO 0.03 1.17 0.20 0.50 0.09 0.00 0.00 178.44 180.43 2fs1 h LYS 51 N 0.03 0.00 -0.78 1.13 3.64 -0.63 -2.28 116.57 117.68 2fs1 h LYS 51 Ca -0.13 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 58.90 2fs1 h LYS 51 Cb 1.90 0.00 -0.41 0.00 -0.41 0.00 0.00 32.23 33.32 2fs1 h LYS 51 CO 0.14 0.00 -1.08 0.00 -2.27 0.00 0.00 179.45 176.24 2fs1 n ALA 52 N -2.29 3.39 -2.01 5.00 0.00 -1.17 -5.08 120.51 118.35 2fs1 n ALA 52 Ca 0.01 -3.15 -0.43 0.00 0.00 0.00 0.00 53.44 49.87 2fs1 n ALA 52 Cb 0.32 -0.81 -0.03 0.00 0.00 0.00 0.00 19.45 18.93 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 -3.51 3.69 0.00 0.00 2.96 -0.86 -4.99 118.68 115.98 2fs1 s LEU 53 Ca 0.32 1.52 0.00 0.00 -0.22 0.00 0.00 54.13 55.75 2fs1 s LEU 53 Cb 0.39 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.55 2fs1 s LEU 53 CO -0.02 -1.51 0.00 -2.65 -1.32 0.00 0.00 176.35 170.85 2fs1 n PRO 54 N 8.11 1.01 -0.04 0.98 -0.02 -1.26 -5.03 135.00 138.75 2fs1 n PRO 54 Ca 0.22 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.64 2fs1 n PRO 54 Cb 0.46 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.92 2fs1 n PRO 54 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 2fs1 n THR 55 N -1.04 1.19 1.12 3.45 -1.04 -1.26 -5.20 114.28 111.49 2fs1 n THR 55 Ca 0.00 0.24 0.12 0.00 -2.04 0.00 0.00 64.05 62.38 2fs1 n THR 55 Cb 0.00 -1.99 0.20 0.00 -1.82 0.00 0.00 70.33 66.72 2fs1 n THR 55 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64