#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bd1 n ASN 2 N 0.00 1.09 -0.31 7.83 0.23 -1.26 -4.85 115.26 117.99 3bd1 n ASN 2 Ca 0.00 -2.00 -0.01 0.00 -0.53 0.00 0.00 54.58 52.04 3bd1 n ASN 2 Cb 0.00 -0.72 0.12 0.00 -2.08 0.00 0.00 39.78 37.10 3bd1 n ASN 2 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3bd1 h ALA 3 N -0.85 1.15 -0.13 -2.53 0.00 -1.95 -1.20 119.26 113.74 3bd1 h ALA 3 Ca -0.35 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.39 3bd1 h ALA 3 Cb 1.21 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3bd1 h ALA 3 CO 0.34 0.35 -0.54 0.97 0.00 0.00 0.00 179.25 180.37 3bd1 h ILE 4 N 1.03 1.35 -0.71 0.00 6.09 -1.94 -1.31 117.51 122.02 3bd1 h ILE 4 Ca 0.35 -1.82 -0.01 0.00 -1.37 0.00 0.00 64.86 62.01 3bd1 h ILE 4 Cb 0.07 1.85 -0.03 0.00 0.47 0.00 0.00 36.82 39.17 3bd1 h ILE 4 CO -0.14 0.55 0.40 0.44 -3.07 0.00 0.00 178.15 176.33 3bd1 h ASP 5 N 0.29 0.88 0.67 2.19 3.32 -1.65 -0.97 116.42 121.16 3bd1 h ASP 5 Ca 0.01 -0.09 -0.15 0.00 0.02 0.00 0.00 57.03 56.81 3bd1 h ASP 5 Cb 1.05 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.35 3bd1 h ASP 5 CO 0.09 0.72 -0.71 0.16 -1.72 0.00 0.00 179.24 177.78 3bd1 h ILE 6 N 0.98 1.50 -0.68 0.35 3.07 -1.11 -1.05 117.51 120.56 3bd1 h ILE 6 Ca 0.25 -2.40 0.02 0.00 1.55 0.00 0.00 64.86 64.28 3bd1 h ILE 6 Cb 0.03 2.30 -0.04 0.00 -0.27 0.00 0.00 36.82 38.83 3bd1 h ILE 6 CO -0.04 0.69 0.43 0.00 -1.05 0.00 0.00 178.15 178.18 3bd1 h ALA 7 N 1.26 0.87 -0.31 0.16 0.00 -0.86 0.17 119.26 120.55 3bd1 h ALA 7 Ca -0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3bd1 h ALA 7 Cb 1.26 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 3bd1 h ALA 7 CO 0.10 0.23 0.13 0.82 0.00 0.00 0.00 179.25 180.53 3bd1 h ILE 8 N 0.87 1.18 -0.93 0.00 2.04 -0.98 -2.19 117.51 117.49 3bd1 h ILE 8 Ca 0.26 -0.54 0.00 0.00 1.00 0.00 0.00 64.86 65.58 3bd1 h ILE 8 Cb -0.04 0.96 -0.05 0.00 -0.74 0.00 0.00 36.82 36.95 3bd1 h ILE 8 CO -0.08 0.19 0.60 0.78 0.00 0.00 0.00 178.15 179.64 3bd1 h ASN 9 N 0.36 1.08 -0.32 1.72 2.35 -0.94 0.18 115.58 120.01 3bd1 h ASN 9 Ca 0.10 -0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3bd1 h ASN 9 Cb 0.18 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.26 3bd1 h ASN 9 CO -0.01 0.80 0.19 0.50 -1.65 0.00 0.00 177.43 177.26 3bd1 h LYS 10 N 1.27 0.44 0.00 0.81 1.63 -0.70 -2.69 116.57 117.32 3bd1 h LYS 10 Ca 0.34 -0.04 -0.11 0.00 -0.85 0.00 0.00 60.65 59.99 3bd1 h LYS 10 Cb -0.12 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 31.41 3bd1 h LYS 10 CO -0.07 0.33 -0.53 -0.07 -3.45 0.00 0.00 179.45 175.66 3bd1 h LEU 11 N 0.41 0.00 0.00 5.20 -0.00 -1.20 -3.48 115.31 116.24 3bd1 h LEU 11 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.99 3bd1 h LEU 11 Cb 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.67 3bd1 h LEU 11 CO -0.02 0.53 0.00 0.61 -0.00 0.00 0.00 178.44 179.56 3bd1 n GLY 12 N 0.83 2.51 3.57 0.83 0.00 0.62 -4.79 105.19 108.76 3bd1 n GLY 12 Ca 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 3bd1 n GLY 12 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3bd1 s SER 13 N -1.56 -0.28 0.23 1.61 1.04 -1.07 -4.90 113.70 108.77 3bd1 s SER 13 Ca 0.00 -0.08 -0.08 0.00 0.48 0.00 0.00 55.95 56.27 3bd1 s SER 13 Cb 0.00 0.36 0.21 0.00 0.10 0.00 0.00 66.02 66.69 3bd1 s SER 13 CO 0.00 -0.60 1.90 0.58 0.98 0.00 0.00 173.24 176.10 3bd1 h VAL 14 N 2.00 1.23 -0.71 5.02 2.07 -1.96 -1.84 116.25 122.07 3bd1 h VAL 14 Ca -0.21 -0.45 0.01 0.00 0.82 0.00 0.00 66.70 66.87 3bd1 h VAL 14 Cb 1.23 -0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 3bd1 h VAL 14 CO 0.28 0.23 0.46 0.77 0.02 0.00 0.00 177.57 179.34 3bd1 h SER 15 N 1.21 0.79 -0.39 0.57 4.64 -1.96 0.32 113.55 118.73 3bd1 h SER 15 Ca 0.32 -0.02 -0.11 0.00 -0.47 0.00 0.00 61.79 61.52 3bd1 h SER 15 Cb -0.12 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 61.77 3bd1 h SER 15 CO -0.07 0.56 -0.17 0.00 -0.87 0.00 0.00 176.83 176.29 3bd1 h ALA 16 N 1.27 0.54 -0.33 5.18 0.00 -1.81 -0.57 119.26 123.54 3bd1 h ALA 16 Ca 0.27 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 3bd1 h ALA 16 Cb -0.07 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3bd1 h ALA 16 CO -0.07 0.47 0.03 1.25 0.00 0.00 0.00 179.25 180.93 3bd1 h LEU 17 N 0.60 0.56 -0.34 0.00 5.85 -1.12 -0.96 115.31 119.90 3bd1 h LEU 17 Ca 0.09 -0.29 0.04 0.00 0.84 0.00 0.00 57.88 58.57 3bd1 h LEU 17 Cb 0.72 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.56 3bd1 h LEU 17 CO 0.05 0.70 0.09 0.00 -0.34 0.00 0.00 178.44 178.95 3bd1 h ALA 18 N 0.87 0.38 -0.72 1.25 0.00 -0.84 -1.61 119.26 118.58 3bd1 h ALA 18 Ca 0.10 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.09 3bd1 h ALA 18 Cb 0.40 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 3bd1 h ALA 18 CO 0.01 -0.31 0.46 0.00 0.00 0.00 0.00 179.25 179.41 3bd1 h ALA 19 N 1.24 0.95 0.00 0.00 0.00 -0.95 -0.71 119.26 119.78 3bd1 h ALA 19 Ca 0.16 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3bd1 h ALA 19 Cb 0.15 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3bd1 h ALA 19 CO -0.18 0.25 -0.15 0.77 0.00 0.00 0.00 179.25 179.94 3bd1 h SER 20 N 0.90 0.00 0.04 0.00 0.02 -0.58 -2.64 113.55 111.30 3bd1 h SER 20 Ca 0.29 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 3bd1 h SER 20 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3bd1 h SER 20 CO -0.10 0.15 -0.71 0.18 -1.14 0.00 0.00 176.83 175.21 3bd1 n LEU 21 N -3.64 1.40 -1.40 5.07 4.77 -0.66 -4.98 117.00 117.56 3bd1 n LEU 21 Ca -0.02 -0.56 -0.11 0.00 -0.03 0.00 0.00 56.01 55.29 3bd1 n LEU 21 Cb 0.28 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 3bd1 n LEU 21 CO 0.31 0.29 -0.09 0.61 -1.33 0.00 0.00 177.39 177.18 3bd1 n GLY 22 N 1.46 -0.04 3.52 -0.72 0.00 -0.37 -5.04 105.19 104.00 3bd1 n GLY 22 Ca 0.07 -0.39 -0.25 0.00 0.00 0.00 0.00 46.02 45.45 3bd1 n GLY 22 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3bd1 s VAL 23 N -2.66 2.12 0.52 1.61 -7.23 -0.64 -5.04 120.40 109.08 3bd1 s VAL 23 Ca 0.05 -2.19 -0.19 0.00 -1.81 0.00 0.00 61.98 57.85 3bd1 s VAL 23 Cb -0.02 -2.62 -0.07 0.00 0.56 0.00 0.00 36.38 34.23 3bd1 s VAL 23 CO 0.07 -0.22 1.06 -0.13 -0.31 0.00 0.00 175.10 175.58 3bd1 s ARG 24 N -3.64 3.61 0.31 4.82 0.52 -1.26 -4.31 118.95 119.00 3bd1 s ARG 24 Ca 0.32 1.39 0.03 0.00 -0.52 0.00 0.00 55.73 56.95 3bd1 s ARG 24 Cb 0.03 -2.06 0.62 0.00 0.52 0.00 0.00 34.95 34.05 3bd1 s ARG 24 CO 0.16 -0.60 1.88 1.96 0.02 0.00 0.00 175.30 178.72 3bd1 h GLN 25 N 1.27 0.90 -0.23 3.54 4.20 -1.92 -1.23 115.11 121.64 3bd1 h GLN 25 Ca -0.49 -0.05 0.04 0.00 0.06 0.00 0.00 58.65 58.21 3bd1 h GLN 25 Cb 1.23 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.80 3bd1 h GLN 25 CO 0.58 0.59 0.16 0.66 -0.67 0.00 0.00 178.83 180.15 3bd1 h SER 26 N 0.92 0.11 -0.32 1.46 4.64 -1.98 -1.62 113.55 116.77 3bd1 h SER 26 Ca 0.43 -0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.70 3bd1 h SER 26 Cb 0.40 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.45 3bd1 h SER 26 CO -0.19 0.07 0.04 0.00 -0.87 0.00 0.00 176.83 175.89 3bd1 h ALA 27 N 1.88 0.42 -0.37 5.18 0.00 -1.60 -0.56 119.26 124.21 3bd1 h ALA 27 Ca 0.10 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.84 3bd1 h ALA 27 Cb 0.25 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 3bd1 h ALA 27 CO -0.01 0.13 0.15 0.82 0.00 0.00 0.00 179.25 180.34 3bd1 h ILE 28 N 0.35 0.92 -0.87 0.00 1.08 -1.32 -0.76 117.51 116.92 3bd1 h ILE 28 Ca 0.10 -0.11 -0.02 0.00 -0.39 0.00 0.00 64.86 64.44 3bd1 h ILE 28 Cb 0.37 0.57 -0.04 0.00 -3.07 0.00 0.00 36.82 34.65 3bd1 h ILE 28 CO 0.01 0.06 0.47 0.28 -0.69 0.00 0.00 178.15 178.27 3bd1 h SER 29 N 0.32 1.09 -0.60 1.72 0.02 -1.05 -1.60 113.55 113.45 3bd1 h SER 29 Ca 0.17 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 3bd1 h SER 29 Cb 0.12 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.36 3bd1 h SER 29 CO -0.15 0.88 0.34 -1.13 -1.14 0.00 0.00 176.83 175.62 3bd1 h ASN 30 N 1.22 0.75 -0.66 3.07 -1.24 -0.52 -1.99 115.58 116.21 3bd1 h ASN 30 Ca 0.30 -0.09 0.01 0.00 0.71 0.00 0.00 56.30 57.24 3bd1 h ASN 30 Cb 0.04 -0.19 -0.03 0.00 0.73 0.00 0.00 38.32 38.86 3bd1 h ASN 30 CO -0.05 0.62 0.43 -0.50 -1.29 0.00 0.00 177.43 176.64 3bd1 h TRP 31 N 0.81 0.81 -0.91 0.67 6.55 -0.42 -0.60 115.95 122.86 3bd1 h TRP 31 Ca 0.21 0.02 0.00 0.00 0.95 0.00 0.00 58.89 60.07 3bd1 h TRP 31 Cb 0.03 -0.27 -0.04 0.00 -0.86 0.00 0.00 29.16 28.02 3bd1 h TRP 31 CO -0.01 0.50 0.57 0.00 -1.05 0.00 0.00 178.44 178.45 3bd1 h ARG 32 N 0.87 1.22 -0.33 0.49 3.08 -1.07 -0.05 114.38 118.58 3bd1 h ARG 32 Ca 0.25 -0.09 -0.12 0.00 0.07 0.00 0.00 59.98 60.08 3bd1 h ARG 32 Cb -0.07 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 29.70 3bd1 h ARG 32 CO -0.07 0.83 -0.28 0.00 -1.07 0.00 0.00 179.97 179.39 3bd1 h ALA 33 N 1.31 0.89 0.00 0.04 0.00 -0.84 -2.70 119.26 117.97 3bd1 h ALA 33 Ca 0.33 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 3bd1 h ALA 33 Cb -0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3bd1 h ALA 33 CO -0.07 0.62 -0.31 -0.09 0.00 0.00 0.00 179.25 179.41 3bd1 h ARG 34 N 0.59 0.00 0.00 0.00 9.65 -0.80 -3.47 114.38 120.34 3bd1 h ARG 34 Ca 0.07 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.95 3bd1 h ARG 34 Cb 0.78 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.36 3bd1 h ARG 34 CO 0.06 0.31 0.00 0.41 2.80 0.00 0.00 179.97 183.55 3bd1 n GLY 35 N 0.36 0.71 3.51 2.80 0.00 -0.09 -5.04 105.19 107.45 3bd1 n GLY 35 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 3bd1 n GLY 35 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3bd1 s ARG 36 N -0.66 0.87 0.28 1.61 1.70 -0.86 -5.00 118.95 116.89 3bd1 s ARG 36 Ca 0.00 -0.14 -0.10 0.00 -0.47 0.00 0.00 55.73 55.02 3bd1 s ARG 36 Cb 0.00 0.41 -0.07 0.00 -0.57 0.00 0.00 34.95 34.72 3bd1 s ARG 36 CO 0.00 -0.35 0.61 0.14 -1.08 0.00 0.00 175.30 174.62 3bd1 s VAL 37 N -2.47 4.89 0.43 4.99 -7.23 -1.26 -4.61 120.40 115.14 3bd1 s VAL 37 Ca 0.00 0.49 -0.26 0.00 -1.81 0.00 0.00 61.98 60.41 3bd1 s VAL 37 Cb -0.01 -3.65 -0.09 0.00 0.56 0.00 0.00 36.38 33.19 3bd1 s VAL 37 CO -0.04 -0.19 1.39 -2.65 -0.31 0.00 0.00 175.10 173.29 3bd1 n PRO 38 N -0.46 2.19 -0.36 4.82 -0.02 -1.26 -4.89 135.00 135.02 3bd1 n PRO 38 Ca 0.01 0.78 0.05 0.00 -2.02 0.00 0.00 63.50 62.32 3bd1 n PRO 38 Cb 0.53 -2.55 0.21 0.00 -0.02 0.00 0.00 33.50 31.67 3bd1 n PRO 38 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3bd1 h ALA 39 N 2.28 1.47 0.00 3.55 0.00 -1.99 -1.05 119.26 123.53 3bd1 h ALA 39 Ca -0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3bd1 h ALA 39 Cb 1.27 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3bd1 h ALA 39 CO 0.61 0.33 0.00 -0.85 0.00 0.00 0.00 179.25 179.33 3bd1 n GLU 40 N -4.56 0.14 0.00 0.00 0.28 -1.26 -1.94 120.64 113.31 3bd1 n GLU 40 Ca 0.17 0.48 0.11 0.00 -0.16 0.00 0.00 57.16 57.77 3bd1 n GLU 40 Cb 0.28 -1.84 0.10 0.00 1.43 0.00 0.00 31.44 31.41 3bd1 n GLU 40 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3bd1 n ARG 41 N -2.12 0.27 -0.12 3.44 5.12 -0.40 -4.59 116.66 118.26 3bd1 n ARG 41 Ca 0.01 -0.20 -0.11 0.00 -1.93 0.00 0.00 57.85 55.62 3bd1 n ARG 41 Cb 0.14 -1.50 -0.03 0.00 -1.16 0.00 0.00 32.46 29.92 3bd1 n ARG 41 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3bd1 h ILE 43 N 0.43 0.82 -0.65 0.00 2.04 -1.81 -1.16 117.51 117.18 3bd1 h ILE 43 Ca 0.09 -0.11 -0.08 0.00 1.00 0.00 0.00 64.86 65.76 3bd1 h ILE 43 Cb 0.52 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 3bd1 h ILE 43 CO 0.03 0.06 0.08 0.44 0.00 0.00 0.00 178.15 178.75 3bd1 h ASP 44 N 0.31 1.05 -0.50 1.72 3.32 -1.80 -1.51 116.42 119.01 3bd1 h ASP 44 Ca 0.23 -0.27 0.03 0.00 0.02 0.00 0.00 57.03 57.04 3bd1 h ASP 44 Cb 0.25 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.49 3bd1 h ASP 44 CO -0.25 1.06 0.28 0.40 -1.72 0.00 0.00 179.24 179.01 3bd1 h ILE 45 N 1.00 1.01 -0.98 0.35 2.04 -0.94 0.61 117.51 120.60 3bd1 h ILE 45 Ca 0.19 -0.19 0.03 0.00 1.00 0.00 0.00 64.86 65.90 3bd1 h ILE 45 Cb 0.47 0.41 -0.06 0.00 -0.74 0.00 0.00 36.82 36.91 3bd1 h ILE 45 CO 0.02 0.10 0.64 -0.08 0.00 0.00 0.00 178.15 178.83 3bd1 h GLU 46 N 0.55 1.21 -0.03 2.37 4.81 -0.83 -1.57 114.58 121.08 3bd1 h GLU 46 Ca 0.21 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 3bd1 h GLU 46 Cb 0.07 -0.27 -0.00 0.00 0.63 0.00 0.00 28.75 29.18 3bd1 h GLU 46 CO -0.12 0.80 -0.05 0.00 -0.73 0.00 0.00 179.01 178.92 3bd1 h ARG 47 N 1.25 0.09 0.00 1.92 3.08 -0.75 0.23 114.38 120.20 3bd1 h ARG 47 Ca 0.38 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.34 3bd1 h ARG 47 Cb -0.02 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 3bd1 h ARG 47 CO -0.11 0.60 -0.18 -0.39 -1.07 0.00 0.00 179.97 178.81 3bd1 h VAL 48 N -0.40 0.41 -0.15 2.04 -1.51 -0.78 -1.68 116.25 114.18 3bd1 h VAL 48 Ca 0.00 -1.08 0.00 0.00 -1.23 0.00 0.00 66.70 64.39 3bd1 h VAL 48 Cb 0.59 1.80 0.00 0.00 -2.13 0.00 0.00 31.29 31.54 3bd1 h VAL 48 CO 0.01 0.18 0.00 0.35 -1.23 0.00 0.00 177.57 176.88 3bd1 n THR 49 N -3.28 0.20 -2.91 7.19 -2.24 -0.60 -4.90 114.28 107.73 3bd1 n THR 49 Ca 0.01 -0.22 -0.22 0.00 -2.27 0.00 0.00 64.05 61.35 3bd1 n THR 49 Cb 0.44 0.10 0.02 0.00 -2.10 0.00 0.00 70.33 68.79 3bd1 n THR 49 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3bd1 n ASN 50 N -0.05 -5.87 0.00 3.42 4.05 -0.63 -1.87 115.26 114.31 3bd1 n ASN 50 Ca 0.08 -0.23 0.00 0.00 0.45 0.00 0.00 54.58 54.88 3bd1 n ASN 50 Cb 0.16 -4.78 0.00 0.00 1.23 0.00 0.00 39.78 36.39 3bd1 n ASN 50 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3bd1 n GLY 51 N -1.39 0.91 0.17 8.20 0.00 0.07 -4.92 105.19 108.24 3bd1 n GLY 51 Ca -0.13 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.87 3bd1 n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bd1 h ALA 52 N 0.00 1.07 -3.70 4.61 0.00 -1.59 -3.39 119.26 116.25 3bd1 h ALA 52 Ca 0.00 -0.47 -0.63 0.00 0.00 0.00 0.00 54.91 53.81 3bd1 h ALA 52 Cb 0.00 -0.09 -0.38 0.00 0.00 0.00 0.00 17.79 17.33 3bd1 h ALA 52 CO 0.00 0.65 -0.79 0.08 0.00 0.00 0.00 179.25 179.19 3bd1 s VAL 53 N -3.91 1.75 0.23 0.00 1.01 -1.26 -5.05 120.40 113.17 3bd1 s VAL 53 Ca -0.03 -1.34 0.05 0.00 0.00 0.00 0.00 61.98 60.66 3bd1 s VAL 53 Cb 0.13 -1.95 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 3bd1 s VAL 53 CO 0.77 -0.06 0.31 0.27 0.00 0.00 0.00 175.10 176.39 3bd1 s ILE 54 N 1.30 5.07 0.24 2.22 -4.36 -1.26 -3.40 121.20 121.00 3bd1 s ILE 54 Ca -0.07 -1.06 -0.05 0.00 -0.26 0.00 0.00 60.65 59.21 3bd1 s ILE 54 Cb -0.19 -3.74 0.21 0.00 1.25 0.00 0.00 42.46 39.99 3bd1 s ILE 54 CO -0.06 -0.31 1.73 0.00 0.24 0.00 0.00 174.94 176.54 3bd1 h ARG 56 N 0.45 0.00 0.14 0.00 0.11 -1.84 -0.53 114.38 112.72 3bd1 h ARG 56 Ca 0.40 0.00 -0.30 0.00 0.10 0.00 0.00 59.98 60.18 3bd1 h ARG 56 Cb 0.58 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.67 3bd1 h ARG 56 CO -0.38 0.00 -1.42 0.93 0.10 0.00 0.00 179.97 179.20 3bd1 h GLU 57 N 0.00 0.31 -0.14 0.08 5.08 -1.52 -2.99 114.58 115.40 3bd1 h GLU 57 Ca 0.00 -0.52 -0.03 0.00 -1.00 0.00 0.00 59.36 57.81 3bd1 h GLU 57 Cb 0.48 0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.92 3bd1 h GLU 57 CO 0.00 1.21 -0.02 -0.07 -1.00 0.00 0.00 179.01 179.14 3bd1 h LEU 58 N 0.08 0.26 -6.25 1.33 3.38 -0.84 -3.41 115.31 109.86 3bd1 h LEU 58 Ca -0.21 -0.34 -0.58 0.00 0.09 0.00 0.00 57.88 56.85 3bd1 h LEU 58 Cb 2.03 -0.07 -0.39 0.00 0.09 0.00 0.00 40.66 42.32 3bd1 h LEU 58 CO 0.20 0.54 -1.01 0.54 0.09 0.00 0.00 178.44 178.80 3bd1 n ARG 59 N -4.74 0.46 0.01 1.13 5.12 -0.25 -4.62 116.66 113.77 3bd1 n ARG 59 Ca -0.06 -3.26 0.12 0.00 -1.93 0.00 0.00 57.85 52.72 3bd1 n ARG 59 Cb 0.23 -1.54 0.55 0.00 -1.16 0.00 0.00 32.46 30.55 3bd1 n ARG 59 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 3bd1 h PRO 60 N 5.01 0.26 0.00 5.56 0.11 -1.73 0.65 132.00 141.86 3bd1 h PRO 60 Ca 0.19 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.28 3bd1 h PRO 60 Cb 0.89 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.94 3bd1 h PRO 60 CO 0.42 0.17 -0.06 0.38 -0.21 0.00 0.00 178.00 178.71 3bd1 h ASP 61 N 0.27 0.00 0.00 -2.05 2.03 -1.90 0.26 116.42 115.03 3bd1 h ASP 61 Ca 0.20 0.00 -0.42 0.00 -0.73 0.00 0.00 57.03 56.08 3bd1 h ASP 61 Cb 0.45 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 38.88 3bd1 h ASP 61 CO -0.04 0.06 -2.35 0.52 -1.03 0.00 0.00 179.24 176.39 3bd1 n VAL 62 N -3.61 1.53 0.87 4.15 0.31 -0.31 -4.73 118.33 116.54 3bd1 n VAL 62 Ca -0.02 -0.33 0.10 0.00 -0.01 0.00 0.00 64.34 64.08 3bd1 n VAL 62 Cb 0.16 -1.92 -0.02 0.00 -0.91 0.00 0.00 33.84 31.16 3bd1 n VAL 62 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3bd1 n PHE 63 N -4.28 0.00 1.02 3.52 3.01 0.07 -5.11 117.46 115.68 3bd1 n PHE 63 Ca -0.51 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.07 3bd1 n PHE 63 Cb 0.85 0.00 0.11 0.00 -0.01 0.00 0.00 39.48 40.43 3bd1 n PHE 63 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18