#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 2.04 -3.26 2.12 0.28 -1.26 -4.94 120.64 115.63 2fs1 n GLU 2 Ca 0.00 -0.02 -0.06 0.00 -0.16 0.00 0.00 57.16 56.92 2fs1 n GLU 2 Cb 0.00 -1.23 -0.04 0.00 1.43 0.00 0.00 31.44 31.60 2fs1 n GLU 2 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2fs1 s ALA 3 N -2.32 -1.54 -0.06 -1.84 0.00 -1.26 -4.99 121.76 109.76 2fs1 s ALA 3 Ca -0.04 0.15 0.10 0.00 0.00 0.00 0.00 51.96 52.16 2fs1 s ALA 3 Cb 0.03 -2.31 0.20 0.00 0.00 0.00 0.00 23.12 21.04 2fs1 s ALA 3 CO 0.37 -1.95 1.12 1.33 0.00 0.00 0.00 175.76 176.64 2fs1 n VAL 4 N 4.95 0.08 0.23 0.00 0.24 -1.26 -4.93 118.33 117.63 2fs1 n VAL 4 Ca 0.06 -0.57 0.14 0.00 -2.04 0.00 0.00 64.34 61.92 2fs1 n VAL 4 Cb 0.51 0.75 0.78 0.00 -1.47 0.00 0.00 33.84 34.40 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 0.55 0.00 -0.42 -1.34 1.82 -2.01 -1.26 116.42 113.76 2fs1 h ASP 5 Ca -0.44 0.00 0.08 0.00 -0.39 0.00 0.00 57.03 56.28 2fs1 h ASP 5 Cb 1.51 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.50 2fs1 h ASP 5 CO -0.15 0.00 0.29 0.00 -1.61 0.00 0.00 179.24 177.77 2fs1 h ALA 6 N 1.91 2.11 -0.17 -0.78 0.00 -1.98 0.84 119.26 121.19 2fs1 h ALA 6 Ca 0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2fs1 h ALA 6 Cb 0.24 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2fs1 h ALA 6 CO -0.00 -0.20 0.04 -0.91 0.00 0.00 0.00 179.25 178.18 2fs1 h ASN 7 N 0.22 0.25 0.36 0.00 2.35 -1.64 0.15 115.58 117.27 2fs1 h ASN 7 Ca 0.19 -0.22 -0.12 0.00 -0.55 0.00 0.00 56.30 55.60 2fs1 h ASN 7 Cb 0.47 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.76 2fs1 h ASN 7 CO -0.03 0.41 -0.52 -1.28 -1.65 0.00 0.00 177.43 174.36 2fs1 h SER 8 N 0.08 0.19 -0.25 5.81 0.87 -1.47 -2.98 113.55 115.81 2fs1 h SER 8 Ca 0.05 -0.10 -0.07 0.00 -1.23 0.00 0.00 61.79 60.45 2fs1 h SER 8 Cb 0.25 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 2fs1 h SER 8 CO -0.00 0.68 -0.10 0.25 -0.53 0.00 0.00 176.83 177.13 2fs1 h LEU 9 N 0.14 0.51 -2.06 2.23 6.46 -0.62 -2.86 115.31 119.12 2fs1 h LEU 9 Ca 0.00 -0.40 0.00 0.00 -0.12 0.00 0.00 57.88 57.37 2fs1 h LEU 9 Cb 0.96 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.75 2fs1 h LEU 9 CO 0.08 0.80 0.00 0.00 -0.62 0.00 0.00 178.44 178.69 2fs1 h ALA 10 N 0.74 1.00 0.16 1.25 0.00 -0.64 -2.76 119.26 119.00 2fs1 h ALA 10 Ca 0.06 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.75 2fs1 h ALA 10 Cb 0.59 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.40 2fs1 h ALA 10 CO 0.03 0.00 -1.00 0.37 0.00 0.00 0.00 179.25 178.65 2fs1 h GLN 11 N 0.00 0.33 -0.95 0.00 4.15 -1.36 0.39 115.11 117.67 2fs1 h GLN 11 Ca 0.00 -0.56 0.20 0.00 0.77 0.00 0.00 58.65 59.05 2fs1 h GLN 11 Cb 0.21 0.21 -0.08 0.00 0.21 0.00 0.00 27.48 28.03 2fs1 h GLN 11 CO 0.00 1.27 0.61 0.00 -1.93 0.00 0.00 178.83 178.78 2fs1 h ALA 12 N 0.07 1.99 0.00 3.38 0.00 -1.32 1.73 119.26 125.11 2fs1 h ALA 12 Ca -0.18 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 2fs1 h ALA 12 Cb 1.74 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.46 2fs1 h ALA 12 CO 0.16 -0.30 -0.71 1.57 0.00 0.00 0.00 179.25 179.97 2fs1 h LYS 13 N 0.56 0.00 -1.00 0.00 2.10 -1.61 -1.20 116.57 115.43 2fs1 h LYS 13 Ca 0.51 0.00 0.24 0.00 -2.00 0.00 0.00 60.65 59.40 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 -0.25 0.56 0.64 1.49 -2.00 0.00 0.00 179.45 179.89 2fs1 h GLU 14 N -1.00 0.44 0.02 0.07 4.81 0.13 1.09 114.58 120.15 2fs1 h GLU 14 Ca -0.15 -0.03 -0.24 0.00 -0.13 0.00 0.00 59.36 58.81 2fs1 h GLU 14 Cb 0.86 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.11 2fs1 h GLU 14 CO -0.09 0.29 -1.23 0.00 -0.73 0.00 0.00 179.01 177.25 2fs1 h ALA 15 N 1.62 0.42 0.00 2.92 0.00 0.25 -3.22 119.26 121.24 2fs1 h ALA 15 Ca 0.56 -1.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.33 2fs1 h ALA 15 Cb 1.32 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 2fs1 h ALA 15 CO -0.27 1.29 -0.40 0.00 0.00 0.00 0.00 179.25 179.87 2fs1 h ALA 16 N 0.92 0.92 -0.03 0.00 0.00 0.14 -3.02 119.26 118.19 2fs1 h ALA 16 Ca -0.10 -0.36 -0.19 0.00 0.00 0.00 0.00 54.91 54.25 2fs1 h ALA 16 Cb 1.86 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.58 2fs1 h ALA 16 CO 0.13 0.50 -0.81 0.97 0.00 0.00 0.00 179.25 180.04 2fs1 h ILE 17 N 0.00 1.43 -0.26 0.00 2.10 0.84 -2.74 117.51 118.89 2fs1 h ILE 17 Ca -0.00 -2.37 -0.03 0.00 1.08 0.00 0.00 64.86 63.53 2fs1 h ILE 17 Cb 1.00 2.30 -0.01 0.00 -1.09 0.00 0.00 36.82 39.02 2fs1 h ILE 17 CO 0.05 0.70 0.02 0.50 -1.08 0.00 0.00 178.15 178.34 2fs1 h LYS 18 N 0.18 0.38 -0.10 2.19 3.64 -1.54 -0.27 116.57 121.05 2fs1 h LYS 18 Ca -0.04 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.23 2fs1 h LYS 18 Cb 1.41 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 33.16 2fs1 h LYS 18 CO 0.13 0.39 -0.12 0.93 -2.27 0.00 0.00 179.45 178.51 2fs1 h GLU 19 N 0.37 0.26 0.00 1.90 3.07 -1.49 0.63 114.58 119.32 2fs1 h GLU 19 Ca 0.09 -0.15 -0.01 0.00 -0.50 0.00 0.00 59.36 58.79 2fs1 h GLU 19 Cb 0.22 0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.14 2fs1 h GLU 19 CO 0.00 0.70 -0.03 1.25 -1.40 0.00 0.00 179.01 179.53 2fs1 h LEU 20 N -0.17 0.00 0.21 1.33 5.85 -1.15 0.98 115.31 122.36 2fs1 h LEU 20 Ca 0.01 0.00 -0.33 0.00 0.84 0.00 0.00 57.88 58.40 2fs1 h LEU 20 Cb 0.66 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.72 2fs1 h LEU 20 CO 0.03 0.03 -1.58 0.50 -0.34 0.00 0.00 178.44 177.08 2fs1 h LYS 21 N 0.00 0.44 0.00 1.25 3.64 -0.74 -2.41 116.57 118.76 2fs1 h LYS 21 Ca -0.00 -0.76 -0.15 0.00 -1.27 0.00 0.00 60.65 58.47 2fs1 h LYS 21 Cb 0.13 0.28 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 2fs1 h LYS 21 CO 0.00 1.36 -0.77 -0.56 -2.27 0.00 0.00 179.45 177.22 2fs1 h GLN 22 N 0.07 0.00 0.05 1.90 3.07 -0.12 -3.30 115.11 116.79 2fs1 h GLN 22 Ca -0.30 0.00 -0.27 0.00 0.09 0.00 0.00 58.65 58.17 2fs1 h GLN 22 Cb 2.09 0.00 0.02 0.00 0.08 0.00 0.00 27.48 29.67 2fs1 h GLN 22 CO 0.21 0.67 -1.09 1.88 0.09 0.00 0.00 178.83 180.58 2fs1 h TYR 23 N 0.00 1.00 0.00 0.06 0.05 0.85 -3.48 116.97 115.45 2fs1 h TYR 23 Ca -0.02 -0.58 0.00 0.00 0.05 0.00 0.00 58.73 58.17 2fs1 h TYR 23 Cb 1.55 -0.10 0.00 0.00 1.01 0.00 0.00 36.73 39.19 2fs1 h TYR 23 CO 0.00 1.42 0.00 0.41 -1.05 0.00 0.00 178.16 178.94 2fs1 n GLY 24 N 1.22 0.55 3.14 3.88 0.00 -0.93 -5.06 105.19 107.99 2fs1 n GLY 24 Ca -0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.54 0.00 -2.57 -0.61 5.41 -1.09 -4.93 119.36 114.03 2fs1 n ILE 25 Ca 0.00 -0.16 -0.33 0.00 1.00 0.00 0.00 62.75 63.27 2fs1 n ILE 25 Cb 0.00 -0.52 -0.05 0.00 -0.71 0.00 0.00 39.64 38.36 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 -1.87 2.29 0.57 7.39 0.00 -1.26 -4.88 107.32 109.55 2fs1 s GLY 26 Ca 0.46 0.37 0.27 0.00 0.00 0.00 0.00 44.72 45.82 2fs1 s GLY 26 CO 0.51 0.66 2.23 1.29 0.00 0.00 0.00 173.10 177.79 2fs1 h ASP 27 N 1.41 0.00 -0.85 1.64 3.04 -1.94 -2.61 116.42 117.12 2fs1 h ASP 27 Ca -0.48 0.00 0.21 0.00 -3.24 0.00 0.00 57.03 53.52 2fs1 h ASP 27 Cb 1.19 0.00 -0.15 0.00 -1.04 0.00 0.00 39.33 39.33 2fs1 h ASP 27 CO 0.60 0.01 0.03 0.22 -2.04 0.00 0.00 179.24 178.07 2fs1 h TYR 28 N 0.00 -0.01 0.00 4.15 5.03 -1.99 0.30 116.97 124.44 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 0.03 0.14 -0.01 0.00 1.55 0.00 0.00 36.73 38.44 2fs1 h TYR 28 CO 0.00 -0.30 -0.24 1.88 -1.32 0.00 0.00 178.16 178.18 2fs1 h TYR 29 N 0.09 0.00 -0.06 -3.82 0.05 -1.86 0.23 116.97 111.60 2fs1 h TYR 29 Ca 0.49 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 59.13 2fs1 h TYR 29 Cb 0.93 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.65 2fs1 h TYR 29 CO -0.44 0.24 -0.57 -0.84 -1.05 0.00 0.00 178.16 175.50 2fs1 h ILE 30 N 0.00 1.39 0.06 -2.88 -0.00 -0.54 -3.06 117.51 112.47 2fs1 h ILE 30 Ca -0.00 -1.93 -0.17 0.00 -0.00 0.00 0.00 64.86 62.76 2fs1 h ILE 30 Cb 1.13 1.98 -0.00 0.00 -0.00 0.00 0.00 36.82 39.93 2fs1 h ILE 30 CO 0.03 0.57 -0.85 0.11 -0.00 0.00 0.00 178.15 178.00 2fs1 h LYS 31 N 0.13 0.13 0.00 0.16 6.56 -1.05 -3.27 116.57 119.24 2fs1 h LYS 31 Ca -0.00 -0.23 0.00 0.00 -1.06 0.00 0.00 60.65 59.36 2fs1 h LYS 31 Cb 1.05 0.08 0.00 0.00 -0.57 0.00 0.00 32.23 32.80 2fs1 h LYS 31 CO 0.09 1.11 0.43 1.37 -2.06 0.00 0.00 179.45 180.38 2fs1 h LEU 32 N -0.66 0.00 0.00 2.94 -0.00 -0.58 -0.74 115.31 116.27 2fs1 h LEU 32 Ca -0.19 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.67 2fs1 h LEU 32 Cb 1.42 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 42.08 2fs1 h LEU 32 CO 0.00 0.00 -0.17 0.40 -0.00 0.00 0.00 178.44 178.67 2fs1 h ILE 33 N 0.00 0.44 -0.27 0.15 2.04 -1.62 -3.34 117.51 114.91 2fs1 h ILE 33 Ca 0.00 -1.36 0.08 0.00 1.00 0.00 0.00 64.86 64.58 2fs1 h ILE 33 Cb 0.85 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.79 2fs1 h ILE 33 CO 0.00 0.15 0.47 0.78 0.00 0.00 0.00 178.15 179.54 2fs1 h ASN 34 N -1.00 0.00 1.46 1.72 4.21 -1.20 0.38 115.58 121.15 2fs1 h ASN 34 Ca -0.02 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.47 2fs1 h ASN 34 Cb 0.38 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.58 2fs1 h ASN 34 CO -0.01 0.00 -0.09 0.78 -1.29 0.00 0.00 177.43 176.82 2fs1 h ASN 35 N 0.00 0.00 -4.01 5.81 4.21 -1.54 -3.46 115.58 116.59 2fs1 h ASN 35 Ca 0.13 0.00 -0.55 0.00 1.21 0.00 0.00 56.30 57.09 2fs1 h ASN 35 Cb 1.06 0.00 0.18 0.00 -1.12 0.00 0.00 38.32 38.44 2fs1 h ASN 35 CO -0.00 0.09 0.28 0.00 -1.29 0.00 0.00 177.43 176.51 2fs1 n ALA 36 N -2.13 0.15 -0.12 -0.83 0.00 0.13 -4.96 120.51 112.75 2fs1 n ALA 36 Ca 0.02 -0.20 -0.17 0.00 0.00 0.00 0.00 53.44 53.09 2fs1 n ALA 36 Cb 0.46 -2.21 -0.13 0.00 0.00 0.00 0.00 19.45 17.57 2fs1 n ALA 36 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2fs1 n LYS 37 N -2.43 0.66 0.00 0.00 4.01 -1.26 -5.00 118.16 114.14 2fs1 n LYS 37 Ca 0.14 0.13 0.00 0.00 -0.51 0.00 0.00 58.31 58.07 2fs1 n LYS 37 Cb 0.49 -1.53 0.00 0.00 -0.51 0.00 0.00 35.03 33.48 2fs1 n LYS 37 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 2fs1 n THR 38 N -3.17 0.00 0.00 -0.18 -1.04 -1.26 -5.10 114.28 103.53 2fs1 n THR 38 Ca -0.43 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.58 2fs1 n THR 38 Cb 1.02 -0.17 0.00 0.00 -1.82 0.00 0.00 70.33 69.37 2fs1 n THR 38 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 2fs1 n VAL 39 N 0.00 0.00 -0.34 12.58 3.14 -1.26 -4.56 118.33 127.89 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 -0.40 0.59 0.00 -1.06 0.00 0.00 33.84 32.97 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 0.25 0.15 1.45 5.08 -1.98 0.30 114.58 119.82 2fs1 h GLU 40 Ca 0.00 -0.02 -0.32 0.00 -1.00 0.00 0.00 59.36 58.03 2fs1 h GLU 40 Cb 0.30 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2fs1 h GLU 40 CO 0.00 0.17 -1.56 0.78 -1.00 0.00 0.00 179.01 177.40 2fs1 h GLY 41 N 0.26 0.36 -0.21 -3.84 0.00 -1.98 -3.21 103.07 94.45 2fs1 h GLY 41 Ca 0.61 -0.93 0.11 0.00 0.00 0.00 0.00 47.33 47.13 2fs1 h GLY 41 CO -0.24 0.81 -0.21 -2.08 0.00 0.00 0.00 176.54 174.82 2fs1 h VAL 42 N 0.09 0.33 -0.05 4.60 2.07 -0.67 1.01 116.25 123.63 2fs1 h VAL 42 Ca -0.26 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 2fs1 h VAL 42 Cb 2.05 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 32.15 2fs1 h VAL 42 CO 0.18 0.00 -0.02 1.05 0.02 0.00 0.00 177.57 178.80 2fs1 h GLU 43 N -0.08 0.10 0.00 1.57 4.11 -1.57 -2.95 114.58 115.76 2fs1 h GLU 43 Ca 0.26 -0.04 -0.01 0.00 0.07 0.00 0.00 59.36 59.63 2fs1 h GLU 43 Cb 0.48 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 2fs1 h GLU 43 CO -0.60 0.49 -0.05 0.66 0.07 0.00 0.00 179.01 179.58 2fs1 h SER 44 N -0.30 0.00 0.91 3.06 4.64 -1.42 -1.73 113.55 118.71 2fs1 h SER 44 Ca 0.01 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.29 2fs1 h SER 44 Cb 0.46 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.56 2fs1 h SER 44 CO 0.01 0.05 -0.44 -0.07 -0.87 0.00 0.00 176.83 175.51 2fs1 h LEU 45 N 0.00 -1.03 -0.20 5.97 3.38 0.12 0.11 115.31 123.66 2fs1 h LEU 45 Ca -0.00 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 2fs1 h LEU 45 Cb 0.20 0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 2fs1 h LEU 45 CO 0.01 -0.69 -0.24 0.50 0.09 0.00 0.00 178.44 178.10 2fs1 h LYS 46 N -1.30 0.51 -0.25 1.13 3.11 -1.55 -2.17 116.57 116.05 2fs1 h LYS 46 Ca -0.12 -0.29 0.07 0.00 -2.81 0.00 0.00 60.65 57.50 2fs1 h LYS 46 Cb 0.94 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 32.17 2fs1 h LYS 46 CO 0.20 0.87 0.21 -0.91 -2.81 0.00 0.00 179.45 177.02 2fs1 h ASN 47 N 0.18 0.00 0.32 4.20 2.35 -1.36 0.14 115.58 121.41 2fs1 h ASN 47 Ca 0.03 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.52 2fs1 h ASN 47 Cb 0.80 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.18 2fs1 h ASN 47 CO 0.06 0.00 -1.11 -0.33 -1.65 0.00 0.00 177.43 174.40 2fs1 h GLU 48 N 0.00 0.46 0.00 0.81 4.39 -0.53 -1.99 114.58 117.72 2fs1 h GLU 48 Ca 0.12 -0.58 -0.04 0.00 0.34 0.00 0.00 59.36 59.20 2fs1 h GLU 48 Cb 0.54 0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.37 2fs1 h GLU 48 CO -0.00 1.22 -0.17 -0.84 -1.16 0.00 0.00 179.01 178.06 2fs1 h ILE 49 N 0.22 0.95 0.12 3.13 3.07 -0.14 -2.05 117.51 122.81 2fs1 h ILE 49 Ca -0.13 -0.63 -0.27 0.00 1.55 0.00 0.00 64.86 65.38 2fs1 h ILE 49 Cb 1.77 1.36 0.00 0.00 -0.27 0.00 0.00 36.82 39.68 2fs1 h ILE 49 CO 0.20 0.17 -1.23 -0.07 -1.05 0.00 0.00 178.15 176.16 2fs1 h LEU 50 N 0.00 0.39 -2.77 0.16 3.38 -1.03 -1.63 115.31 113.81 2fs1 h LEU 50 Ca -0.00 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.55 2fs1 h LEU 50 Cb 0.34 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 2fs1 h LEU 50 CO 0.02 1.33 0.02 0.11 0.09 0.00 0.00 178.44 180.01 2fs1 h LYS 51 N 0.07 0.00 -1.27 1.13 1.79 -0.62 -3.08 116.57 114.59 2fs1 h LYS 51 Ca -0.13 0.00 -0.39 0.00 -2.18 0.00 0.00 60.65 57.95 2fs1 h LYS 51 Cb 1.96 0.00 -0.32 0.00 -1.58 0.00 0.00 32.23 32.29 2fs1 h LYS 51 CO 0.20 0.00 -0.95 0.00 -1.08 0.00 0.00 179.45 177.61 2fs1 n ALA 52 N -2.15 1.33 -1.46 3.86 0.00 -1.14 -5.09 120.51 115.86 2fs1 n ALA 52 Ca -0.03 -2.75 -0.45 0.00 0.00 0.00 0.00 53.44 50.21 2fs1 n ALA 52 Cb 0.10 -1.00 -0.12 0.00 0.00 0.00 0.00 19.45 18.43 2fs1 n ALA 52 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2fs1 n LEU 53 N 0.23 0.93 0.00 0.00 4.77 -0.62 -4.91 117.00 117.41 2fs1 n LEU 53 Ca 0.17 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 2fs1 n LEU 53 Cb 0.69 -1.07 0.00 0.00 -2.33 0.00 0.00 43.42 40.72 2fs1 n LEU 53 CO 0.16 -0.87 0.00 -0.81 -1.33 0.00 0.00 177.39 174.53 2fs1 n PRO 54 N 8.37 0.49 -0.45 3.23 -0.04 -1.26 -5.03 135.00 140.31 2fs1 n PRO 54 Ca 0.56 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 64.09 2fs1 n PRO 54 Cb 0.13 0.00 0.17 0.00 -0.04 0.00 0.00 33.50 33.76 2fs1 n PRO 54 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2fs1 n THR 55 N -1.39 1.92 -0.40 0.52 -2.24 -1.26 -5.05 114.28 106.37 2fs1 n THR 55 Ca 0.00 -2.69 0.00 0.00 -2.27 0.00 0.00 64.05 59.09 2fs1 n THR 55 Cb 0.00 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.08 2fs1 n THR 55 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71