#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k93 s THR 2 N 0.00 2.43 0.00 0.44 -4.23 -1.26 -4.94 115.64 108.08 2k93 s THR 2 Ca 0.00 -0.47 0.00 0.00 -1.18 0.00 0.00 61.69 60.04 2k93 s THR 2 Cb 0.00 -2.97 0.00 0.00 1.34 0.00 0.00 72.50 70.87 2k93 s THR 2 CO 0.00 0.00 0.82 -0.38 -0.54 0.00 0.00 174.62 174.52 2k93 n ILE 3 N -2.67 0.00 -0.28 2.99 2.08 -1.26 -1.82 119.36 118.40 2k93 n ILE 3 Ca 0.09 1.32 0.01 0.00 0.56 0.00 0.00 62.75 64.74 2k93 n ILE 3 Cb 0.60 -2.13 0.09 0.00 -0.75 0.00 0.00 39.64 37.44 2k93 n ILE 3 CO 0.00 0.00 0.00 -0.08 0.56 0.00 0.00 176.55 177.03 2k93 h GLU 4 N 0.00 -0.02 -0.97 0.38 4.22 -1.93 0.40 114.58 116.66 2k93 h GLU 4 Ca 0.00 0.00 0.26 0.00 0.08 0.00 0.00 59.36 59.70 2k93 h GLU 4 Cb 0.00 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 29.07 2k93 h GLU 4 CO 0.00 -0.01 -0.03 -1.91 -2.18 0.00 0.00 179.01 174.88 2k93 n GLU 5 N -5.51 -0.08 -0.03 1.92 2.13 -1.05 0.13 120.64 118.14 2k93 n GLU 5 Ca 0.11 1.47 -0.17 0.00 0.66 0.00 0.00 57.16 59.23 2k93 n GLU 5 Cb 0.40 -2.31 -0.07 0.00 0.27 0.00 0.00 31.44 29.72 2k93 n GLU 5 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2k93 h ARG 6 N 0.00 0.70 0.59 5.31 3.08 0.51 -2.78 114.38 121.79 2k93 h ARG 6 Ca 0.57 -0.56 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 2k93 h ARG 6 Cb 1.13 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.28 2k93 h ARG 6 CO -0.93 1.18 -0.45 0.28 -1.07 0.00 0.00 179.97 178.97 2k93 h VAL 7 N 0.40 0.00 -0.94 2.04 2.07 0.25 0.41 116.25 120.47 2k93 h VAL 7 Ca -0.04 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.74 2k93 h VAL 7 Cb 1.29 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.93 2k93 h VAL 7 CO 0.14 0.00 0.45 0.50 0.02 0.00 0.00 177.57 178.68 2k93 h LYS 8 N -1.00 0.37 0.55 1.57 1.63 0.47 0.95 116.57 121.11 2k93 h LYS 8 Ca -0.08 -0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 59.67 2k93 h LYS 8 Cb 0.83 -0.08 0.01 0.00 -0.60 0.00 0.00 32.23 32.38 2k93 h LYS 8 CO 0.02 0.24 -0.27 -0.22 -3.45 0.00 0.00 179.45 175.78 2k93 h LYS 9 N 0.38 -0.71 -0.73 1.90 3.11 -1.05 -1.89 116.57 117.58 2k93 h LYS 9 Ca 0.63 0.05 0.16 0.00 -2.81 0.00 0.00 60.65 58.68 2k93 h LYS 9 Cb 1.28 0.16 -0.12 0.00 -1.00 0.00 0.00 32.23 32.55 2k93 h LYS 9 CO -0.56 -0.48 0.12 0.82 -2.81 0.00 0.00 179.45 176.54 2k93 h ILE 10 N -0.80 0.46 -0.69 2.00 1.08 0.12 0.28 117.51 119.96 2k93 h ILE 10 Ca -0.08 -0.07 0.15 0.00 -0.39 0.00 0.00 64.86 64.47 2k93 h ILE 10 Cb 0.57 0.24 -0.12 0.00 -3.07 0.00 0.00 36.82 34.44 2k93 h ILE 10 CO 0.12 0.04 -0.03 0.40 -0.69 0.00 0.00 178.15 177.99 2k93 h ILE 11 N 0.20 0.39 -1.11 -0.67 1.08 1.00 0.70 117.51 119.09 2k93 h ILE 11 Ca 0.41 -0.03 0.31 0.00 -0.39 0.00 0.00 64.86 65.16 2k93 h ILE 11 Cb 0.71 0.30 -0.09 0.00 -3.07 0.00 0.00 36.82 34.67 2k93 h ILE 11 CO -0.55 0.02 0.73 1.23 -0.69 0.00 0.00 178.15 178.88 2k93 h GLY 12 N 0.08 1.03 0.90 5.37 0.00 0.41 0.34 103.07 111.21 2k93 h GLY 12 Ca 0.36 -0.16 -0.18 0.00 0.00 0.00 0.00 47.33 47.36 2k93 h GLY 12 CO -0.62 -0.16 -0.66 -1.61 0.00 0.00 0.00 176.54 173.48 2k93 h GLN 13 N 0.28 0.51 -0.51 4.80 4.15 0.45 0.76 115.11 125.54 2k93 h GLN 13 Ca 0.63 -0.50 0.15 0.00 0.77 0.00 0.00 58.65 59.69 2k93 h GLN 13 Cb 1.82 0.13 -0.02 0.00 0.21 0.00 0.00 27.48 29.62 2k93 h GLN 13 CO -0.27 1.14 0.53 1.96 -1.93 0.00 0.00 178.83 180.26 2k93 h GLN 14 N 0.07 0.00 0.00 1.69 4.20 0.68 -3.38 115.11 118.37 2k93 h GLN 14 Ca -0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.64 2k93 h GLN 14 Cb 1.35 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.13 2k93 h GLN 14 CO 0.13 0.00 0.00 1.47 -0.67 0.00 0.00 178.83 179.76 2k93 n LEU 15 N -3.72 0.00 0.00 1.46 -0.00 -0.83 -4.22 117.00 109.69 2k93 n LEU 15 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.11 2k93 n LEU 15 Cb 0.73 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.15 2k93 n LEU 15 CO 0.28 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.28 2k93 n GLY 16 N 2.23 0.56 1.76 1.47 0.00 0.26 -5.03 105.19 106.45 2k93 n GLY 16 Ca 0.00 -0.34 -0.07 0.00 0.00 0.00 0.00 46.02 45.61 2k93 n GLY 16 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2k93 n VAL 17 N 0.00 0.00 0.00 1.61 0.31 -1.26 -5.08 118.33 113.91 2k93 n VAL 17 Ca 0.00 -0.88 0.00 0.00 -0.01 0.00 0.00 64.34 63.45 2k93 n VAL 17 Cb 0.00 0.56 0.00 0.00 -0.91 0.00 0.00 33.84 33.49 2k93 n VAL 17 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2k93 n LYS 18 N -0.30 3.18 -0.07 5.55 3.00 -1.26 -4.91 118.16 123.35 2k93 n LYS 18 Ca -0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.17 2k93 n LYS 18 Cb 0.30 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 35.28 2k93 n LYS 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2k93 n GLN 19 N 0.00 0.33 0.30 1.64 10.64 -1.26 -4.22 117.38 124.80 2k93 n GLN 19 Ca 0.00 0.12 0.20 0.00 -1.83 0.00 0.00 57.00 55.49 2k93 n GLN 19 Cb 0.00 -1.12 0.97 0.00 -0.86 0.00 0.00 30.24 29.23 2k93 n GLN 19 CO 0.00 0.00 0.00 0.93 -1.83 0.00 0.00 177.06 176.16 2k93 h GLU 20 N -0.33 0.00 0.00 2.61 5.08 -1.97 0.15 114.58 120.12 2k93 h GLU 20 Ca -0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 2k93 h GLU 20 Cb 1.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.64 2k93 h GLU 20 CO -0.16 0.00 -0.65 0.39 -1.00 0.00 0.00 179.01 177.59 2k93 n GLU 21 N -3.00 0.26 -2.36 2.33 1.02 -1.26 -3.96 120.64 113.66 2k93 n GLU 21 Ca -0.01 0.07 -0.09 0.00 -0.02 0.00 0.00 57.16 57.11 2k93 n GLU 21 Cb 0.16 -1.66 0.04 0.00 -0.02 0.00 0.00 31.44 29.96 2k93 n GLU 21 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2k93 n VAL 22 N -2.03 1.71 -0.94 2.62 0.31 0.24 -4.88 118.33 115.36 2k93 n VAL 22 Ca 0.03 -3.32 -0.36 0.00 -0.01 0.00 0.00 64.34 60.68 2k93 n VAL 22 Cb 0.43 0.30 0.06 0.00 -0.91 0.00 0.00 33.84 33.72 2k93 n VAL 22 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2k93 n THR 23 N -0.60 0.00 -0.33 2.52 -2.24 0.27 -4.54 114.28 109.36 2k93 n THR 23 Ca 0.21 -0.24 0.11 0.00 -2.27 0.00 0.00 64.05 61.86 2k93 n THR 23 Cb 0.88 -0.14 0.32 0.00 -2.10 0.00 0.00 70.33 69.28 2k93 n THR 23 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 2k93 h ASN 24 N -1.20 0.79 -0.74 3.42 4.21 -1.97 0.54 115.58 120.63 2k93 h ASN 24 Ca -0.43 0.06 -0.43 0.00 1.21 0.00 0.00 56.30 56.71 2k93 h ASN 24 Cb 1.35 -0.09 -0.22 0.00 -1.12 0.00 0.00 38.32 38.23 2k93 h ASN 24 CO 0.25 0.37 0.55 0.59 -1.29 0.00 0.00 177.43 177.90 2k93 n ASN 25 N -4.64 4.87 -4.77 5.81 4.13 -1.26 0.99 115.26 120.39 2k93 n ASN 25 Ca 0.20 -3.28 -0.35 0.00 1.68 0.00 0.00 54.58 52.82 2k93 n ASN 25 Cb 0.47 -0.85 0.02 0.00 -1.54 0.00 0.00 39.78 37.88 2k93 n ASN 25 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2k93 s ALA 26 N -2.59 2.62 0.43 5.41 0.00 0.19 -4.85 121.76 122.96 2k93 s ALA 26 Ca 0.44 0.88 0.06 0.00 0.00 0.00 0.00 51.96 53.35 2k93 s ALA 26 Cb 0.36 -3.39 0.06 0.00 0.00 0.00 0.00 23.12 20.16 2k93 s ALA 26 CO 0.05 -0.96 0.53 -1.13 0.00 0.00 0.00 175.76 174.25 2k93 n SER 27 N -1.50 1.73 0.05 0.00 3.41 -1.26 -2.17 113.62 113.88 2k93 n SER 27 Ca 0.12 -2.20 0.00 0.00 -0.26 0.00 0.00 58.87 56.53 2k93 n SER 27 Cb 0.50 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 2k93 n SER 27 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2k93 n PHE 28 N -1.83 -0.59 0.30 7.33 3.01 -0.94 -4.01 117.46 120.72 2k93 n PHE 28 Ca 0.09 0.10 0.15 0.00 1.01 0.00 0.00 57.45 58.81 2k93 n PHE 28 Cb 0.45 0.20 0.70 0.00 -0.01 0.00 0.00 39.48 40.82 2k93 n PHE 28 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 2k93 h VAL 29 N 0.00 0.00 0.00 -4.37 2.07 -1.84 1.83 116.25 113.94 2k93 h VAL 29 Ca 0.00 -0.21 -0.22 0.00 0.82 0.00 0.00 66.70 67.09 2k93 h VAL 29 Cb 0.00 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 2k93 h VAL 29 CO 0.00 0.00 -1.81 -0.62 0.02 0.00 0.00 177.57 175.16 2k93 n GLU 30 N -2.62 1.40 -0.01 1.57 -0.58 -1.26 -3.77 120.64 115.37 2k93 n GLU 30 Ca 0.00 0.03 -0.00 0.00 -0.42 0.00 0.00 57.16 56.77 2k93 n GLU 30 Cb 0.18 -1.30 -0.00 0.00 -0.57 0.00 0.00 31.44 29.75 2k93 n GLU 30 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 2k93 h ASP 31 N 0.00 0.00 -0.87 1.62 -0.00 -1.63 -3.38 116.42 112.16 2k93 h ASP 31 Ca -0.32 0.00 -0.43 0.00 -0.00 0.00 0.00 57.03 56.28 2k93 h ASP 31 Cb 1.63 0.00 -0.26 0.00 -0.00 0.00 0.00 39.33 40.71 2k93 h ASP 31 CO -0.01 0.14 0.54 0.18 -0.00 0.00 0.00 179.24 180.09 2k93 n LEU 32 N -2.69 6.29 -2.18 2.28 7.99 0.19 -4.87 117.00 124.02 2k93 n LEU 32 Ca -0.01 -3.34 0.00 0.00 -0.01 0.00 0.00 56.01 52.65 2k93 n LEU 32 Cb 0.02 -0.80 0.00 0.00 -0.11 0.00 0.00 43.42 42.54 2k93 n LEU 32 CO 0.01 0.96 0.00 0.61 -1.51 0.00 0.00 177.39 177.46 2k93 n GLY 33 N -0.86 -0.41 2.94 -0.72 0.00 0.50 -2.36 105.19 104.27 2k93 n GLY 33 Ca 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.53 2k93 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k93 n ALA 34 N -2.14 -2.65 -2.89 4.61 0.00 0.50 -4.70 120.51 113.24 2k93 n ALA 34 Ca 0.00 0.46 -0.22 0.00 0.00 0.00 0.00 53.44 53.67 2k93 n ALA 34 Cb 0.41 -1.15 -0.03 0.00 0.00 0.00 0.00 19.45 18.67 2k93 n ALA 34 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2k93 s ASP 35 N -1.10 5.91 0.02 0.00 -1.08 -1.00 -4.92 116.67 114.50 2k93 s ASP 35 Ca -0.03 -0.07 -0.25 0.00 -0.52 0.00 0.00 52.55 51.68 2k93 s ASP 35 Cb 0.00 -1.64 -0.18 0.00 -1.46 0.00 0.00 42.92 39.65 2k93 s ASP 35 CO 0.39 -0.03 1.37 -1.28 0.52 0.00 0.00 175.17 176.14 2k93 h SER 36 N 1.53 -0.18 -0.65 -0.34 0.87 -1.94 -1.81 113.55 111.04 2k93 h SER 36 Ca -0.50 -0.23 0.19 0.00 -1.23 0.00 0.00 61.79 60.02 2k93 h SER 36 Cb 1.23 0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 63.21 2k93 h SER 36 CO 0.62 0.14 0.53 -0.07 -0.53 0.00 0.00 176.83 177.52 2k93 h LEU 37 N -0.51 0.00 0.42 2.23 3.38 -1.96 0.89 115.31 119.76 2k93 h LEU 37 Ca -0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2k93 h LEU 37 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2k93 h LEU 37 CO 0.04 0.00 -0.20 0.44 0.09 0.00 0.00 178.44 178.80 2k93 h ASP 38 N 0.00 -0.47 0.13 -0.43 3.32 -1.62 1.52 116.42 118.87 2k93 h ASP 38 Ca 0.31 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.31 2k93 h ASP 38 Cb 1.36 0.12 -0.00 0.00 0.22 0.00 0.00 39.33 41.04 2k93 h ASP 38 CO -0.00 -0.04 -0.05 0.74 -1.72 0.00 0.00 179.24 178.17 2k93 h THR 39 N -1.11 0.56 0.13 0.35 2.02 -0.32 -0.28 112.91 114.26 2k93 h THR 39 Ca -0.06 -0.21 -0.27 0.00 0.77 0.00 0.00 66.41 66.65 2k93 h THR 39 Cb 0.48 1.13 0.00 0.00 -1.74 0.00 0.00 68.15 68.03 2k93 h THR 39 CO 0.09 0.05 -1.33 0.58 0.37 0.00 0.00 175.52 175.28 2k93 h VAL 40 N 0.00 1.11 0.00 3.16 2.07 0.78 -3.24 116.25 120.14 2k93 h VAL 40 Ca -0.00 -2.44 -0.01 0.00 0.82 0.00 0.00 66.70 65.08 2k93 h VAL 40 Cb 0.13 2.81 -0.00 0.00 -1.52 0.00 0.00 31.29 32.70 2k93 h VAL 40 CO 0.01 0.72 -0.02 -0.33 0.02 0.00 0.00 177.57 177.96 2k93 h GLU 41 N -0.28 0.00 0.00 1.57 4.39 0.28 0.35 114.58 120.88 2k93 h GLU 41 Ca -0.28 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.42 2k93 h GLU 41 Cb 1.77 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.42 2k93 h GLU 41 CO 0.09 0.02 0.00 1.25 -1.16 0.00 0.00 179.01 179.21 2k93 h LEU 42 N 0.00 0.00 0.00 1.33 5.85 -1.15 1.46 115.31 122.80 2k93 h LEU 42 Ca -0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2k93 h LEU 42 Cb 0.07 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.10 2k93 h LEU 42 CO 0.00 0.00 -1.21 0.52 -0.34 0.00 0.00 178.44 177.41 2k93 n VAL 43 N -2.67 0.53 -0.09 1.05 0.31 0.11 -3.13 118.33 114.44 2k93 n VAL 43 Ca 0.05 -0.55 -0.12 0.00 -0.01 0.00 0.00 64.34 63.71 2k93 n VAL 43 Cb 0.47 -0.29 -0.09 0.00 -0.91 0.00 0.00 33.84 33.02 2k93 n VAL 43 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 2k93 n MET 44 N -2.61 0.65 -0.05 5.55 2.81 -0.44 -3.63 117.12 119.39 2k93 n MET 44 Ca -0.01 0.09 -0.12 0.00 -1.81 0.00 0.00 57.70 55.85 2k93 n MET 44 Cb 0.57 -1.38 -0.06 0.00 -0.71 0.00 0.00 33.22 31.64 2k93 n MET 44 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2k93 h ALA 45 N 0.11 0.21 -0.07 3.04 0.00 0.18 0.99 119.26 123.72 2k93 h ALA 45 Ca -0.42 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.13 2k93 h ALA 45 Cb 1.69 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 2k93 h ALA 45 CO -0.05 -0.02 -0.49 -0.07 0.00 0.00 0.00 179.25 178.62 2k93 h LEU 46 N -0.01 0.20 0.05 0.00 3.38 -1.66 -2.55 115.31 114.73 2k93 h LEU 46 Ca 0.04 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 2k93 h LEU 46 Cb 0.48 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2k93 h LEU 46 CO 0.02 0.67 -0.02 -0.33 0.09 0.00 0.00 178.44 178.86 2k93 h GLU 47 N 0.15 -0.06 0.00 1.13 3.07 -1.58 -2.05 114.58 115.25 2k93 h GLU 47 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 2k93 h GLU 47 Cb 0.92 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.85 2k93 h GLU 47 CO 0.07 0.53 0.01 -1.91 -1.40 0.00 0.00 179.01 176.32 2k93 n GLU 48 N -4.81 0.07 0.00 2.33 0.00 0.34 0.26 120.64 118.82 2k93 n GLU 48 Ca -0.09 0.56 0.00 0.00 0.00 0.00 0.00 57.16 57.63 2k93 n GLU 48 Cb 0.31 -1.74 0.00 0.00 0.00 0.00 0.00 31.44 30.01 2k93 n GLU 48 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 2k93 n GLU 49 N -1.86 0.00 0.00 5.31 4.07 -0.96 -4.76 120.64 122.43 2k93 n GLU 49 Ca -0.01 0.17 0.05 0.00 -0.06 0.00 0.00 57.16 57.32 2k93 n GLU 49 Cb 0.03 -0.59 -0.05 0.00 -0.06 0.00 0.00 31.44 30.78 2k93 n GLU 49 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 2k93 n PHE 50 N -1.80 0.00 -2.31 4.31 3.72 -0.79 -5.07 117.46 115.53 2k93 n PHE 50 Ca 0.00 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.37 2k93 n PHE 50 Cb 0.00 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.52 2k93 n PHE 50 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2k93 n ASP 51 N -1.02 -2.84 -2.72 4.37 -0.08 0.73 -4.99 116.55 110.01 2k93 n ASP 51 Ca 0.03 0.99 -0.07 0.00 -1.51 0.00 0.00 54.79 54.22 2k93 n ASP 51 Cb 0.19 -4.08 0.08 0.00 2.34 0.00 0.00 41.12 39.65 2k93 n ASP 51 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 2k93 n THR 52 N 0.95 0.00 -0.33 5.18 5.66 -1.26 -4.95 114.28 119.53 2k93 n THR 52 Ca -0.19 -1.27 -0.15 0.00 -3.05 0.00 0.00 64.05 59.38 2k93 n THR 52 Cb 0.30 1.39 -0.03 0.00 -1.55 0.00 0.00 70.33 70.43 2k93 n THR 52 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 2k93 n GLU 53 N 0.82 0.00 -2.88 1.09 0.28 -1.26 -4.80 120.64 113.89 2k93 n GLU 53 Ca 0.04 0.00 -0.40 0.00 -0.16 0.00 0.00 57.16 56.64 2k93 n GLU 53 Cb 0.69 -0.39 -0.05 0.00 1.43 0.00 0.00 31.44 33.12 2k93 n GLU 53 CO 0.00 0.00 0.00 -1.50 -0.16 0.00 0.00 177.13 175.47 2k93 s ILE 54 N 1.62 4.45 0.46 3.84 2.07 -1.26 -5.06 121.20 127.33 2k93 s ILE 54 Ca 0.31 1.84 -0.08 0.00 -1.41 0.00 0.00 60.65 61.31 2k93 s ILE 54 Cb -0.38 -4.21 0.11 0.00 0.13 0.00 0.00 42.46 38.11 2k93 s ILE 54 CO 0.17 0.43 0.51 -0.81 -1.91 0.00 0.00 174.94 173.32 2k93 n PRO 55 N 2.21 -1.21 0.05 3.50 -0.04 -1.26 -4.84 135.00 133.39 2k93 n PRO 55 Ca -0.02 -0.80 0.12 0.00 -0.04 0.00 0.00 63.50 62.75 2k93 n PRO 55 Cb 0.49 -0.63 0.07 0.00 -0.04 0.00 0.00 33.50 33.39 2k93 n PRO 55 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2k93 n ASP 56 N -3.57 0.65 -0.07 3.54 -0.08 -1.26 -3.75 116.55 112.02 2k93 n ASP 56 Ca 0.07 -0.02 -0.11 0.00 -1.51 0.00 0.00 54.79 53.21 2k93 n ASP 56 Cb 0.24 0.55 -0.10 0.00 2.34 0.00 0.00 41.12 44.15 2k93 n ASP 56 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 2k93 h GLU 57 N 0.00 0.00 -0.02 -0.67 5.08 -2.02 -3.28 114.58 113.67 2k93 h GLU 57 Ca 0.00 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2k93 h GLU 57 Cb 0.77 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.02 2k93 h GLU 57 CO 0.00 0.79 0.07 0.93 -1.00 0.00 0.00 179.01 179.80 2k93 h GLU 58 N -1.00 0.00 -0.74 2.33 5.08 -1.96 -0.68 114.58 117.61 2k93 h GLU 58 Ca -0.01 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 2k93 h GLU 58 Cb 0.81 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.01 2k93 h GLU 58 CO -0.01 0.00 0.47 0.00 -1.00 0.00 0.00 179.01 178.47 2k93 h ALA 59 N 1.88 0.98 -0.45 3.43 0.00 -1.65 -0.19 119.26 123.26 2k93 h ALA 59 Ca 0.01 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.93 2k93 h ALA 59 Cb 0.15 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 2k93 h ALA 59 CO -0.00 0.26 0.24 1.49 0.00 0.00 0.00 179.25 181.23 2k93 h GLU 60 N 0.91 0.46 0.00 0.00 4.81 -1.25 0.51 114.58 120.03 2k93 h GLU 60 Ca 0.30 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 2k93 h GLU 60 Cb 0.02 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.30 2k93 h GLU 60 CO -0.11 0.30 0.00 1.17 -0.73 0.00 0.00 179.01 179.64 2k93 n LYS 61 N -4.88 0.33 -1.03 1.92 4.81 -0.76 -2.10 118.16 116.46 2k93 n LYS 61 Ca 0.03 0.08 0.04 0.00 -0.87 0.00 0.00 58.31 57.59 2k93 n LYS 61 Cb 0.10 -1.50 0.13 0.00 0.02 0.00 0.00 35.03 33.78 2k93 n LYS 61 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 2k93 n ILE 62 N -1.24 1.35 1.15 3.15 5.41 0.85 -4.75 119.36 125.27 2k93 n ILE 62 Ca 0.10 -2.40 0.10 0.00 1.00 0.00 0.00 62.75 61.56 2k93 n ILE 62 Cb 0.15 0.24 0.57 0.00 -0.71 0.00 0.00 39.64 39.89 2k93 n ILE 62 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 2k93 n THR 63 N -0.47 0.18 -2.67 1.39 5.66 0.14 -4.74 114.28 113.77 2k93 n THR 63 Ca 0.14 0.04 0.00 0.00 -3.05 0.00 0.00 64.05 61.19 2k93 n THR 63 Cb 0.88 -0.71 0.00 0.00 -1.55 0.00 0.00 70.33 68.94 2k93 n THR 63 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 2k93 n THR 64 N -1.13 0.00 -0.07 1.09 -2.24 -1.26 -2.21 114.28 108.45 2k93 n THR 64 Ca 0.13 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.76 2k93 n THR 64 Cb 0.11 -0.68 -0.05 0.00 -2.10 0.00 0.00 70.33 67.61 2k93 n THR 64 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2k93 n VAL 65 N -0.24 1.13 0.24 2.28 0.31 -0.92 -4.46 118.33 116.66 2k93 n VAL 65 Ca 0.00 -0.08 0.13 0.00 -0.01 0.00 0.00 64.34 64.38 2k93 n VAL 65 Cb 0.00 -1.86 0.71 0.00 -0.91 0.00 0.00 33.84 31.78 2k93 n VAL 65 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 2k93 h GLN 66 N -0.64 0.00 0.00 5.55 5.75 0.35 0.50 115.11 126.62 2k93 h GLN 66 Ca -0.30 0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 58.09 2k93 h GLN 66 Cb 1.13 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.67 2k93 h GLN 66 CO -0.18 0.00 -0.52 0.00 -2.65 0.00 0.00 178.83 175.48 2k93 h ALA 67 N 1.65 1.09 -0.13 3.38 0.00 -1.82 -1.53 119.26 121.90 2k93 h ALA 67 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2k93 h ALA 67 Cb 0.30 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2k93 h ALA 67 CO 0.00 0.65 0.00 0.00 0.00 0.00 0.00 179.25 179.90 2k93 n ALA 68 N -2.42 2.53 -0.02 0.00 0.00 0.17 -2.12 120.51 118.65 2k93 n ALA 68 Ca -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.07 2k93 n ALA 68 Cb 0.54 -1.11 -0.06 0.00 0.00 0.00 0.00 19.45 18.82 2k93 n ALA 68 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2k93 n ILE 69 N -0.06 0.27 0.01 0.00 -0.00 -0.66 -3.95 119.36 114.97 2k93 n ILE 69 Ca 0.12 -0.26 -0.15 0.00 -0.00 0.00 0.00 62.75 62.46 2k93 n ILE 69 Cb 0.20 -0.26 -0.14 0.00 -0.00 0.00 0.00 39.64 39.44 2k93 n ILE 69 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.55 176.99 2k93 h ASP 70 N 0.00 0.24 0.25 4.38 5.19 -1.28 -2.76 116.42 122.44 2k93 h ASP 70 Ca -0.11 -0.47 -0.25 0.00 -0.62 0.00 0.00 57.03 55.58 2k93 h ASP 70 Cb 0.94 -0.08 0.01 0.00 0.18 0.00 0.00 39.33 40.38 2k93 h ASP 70 CO 0.01 1.41 -1.03 0.22 -3.12 0.00 0.00 179.24 176.73 2k93 h TYR 71 N 0.04 0.76 -0.03 4.55 3.20 -1.67 -3.22 116.97 120.60 2k93 h TYR 71 Ca -0.32 -0.43 -0.17 0.00 3.14 0.00 0.00 58.73 60.95 2k93 h TYR 71 Cb 2.02 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 40.20 2k93 h TYR 71 CO 0.04 1.27 -0.75 0.82 -1.64 0.00 0.00 178.16 177.90 2k93 h ILE 72 N 0.27 1.44 0.00 1.81 1.08 -1.71 -2.72 117.51 117.67 2k93 h ILE 72 Ca -0.11 -2.30 0.00 0.00 -0.39 0.00 0.00 64.86 62.06 2k93 h ILE 72 Cb 1.68 2.23 0.00 0.00 -3.07 0.00 0.00 36.82 37.66 2k93 h ILE 72 CO 0.19 0.67 0.14 -1.13 -0.69 0.00 0.00 178.15 177.33 2k93 h ASN 73 N 0.15 0.00 -1.68 1.72 -0.73 -1.49 -2.65 115.58 110.90 2k93 h ASN 73 Ca -0.03 0.00 0.49 0.00 1.87 0.00 0.00 56.30 58.63 2k93 h ASN 73 Cb 1.31 0.00 -0.07 0.00 0.27 0.00 0.00 38.32 39.83 2k93 h ASN 73 CO 0.12 0.00 1.20 0.61 -0.37 0.00 0.00 177.43 178.99 2k93 n GLY 74 N -1.24 -0.85 0.48 1.57 0.00 -1.03 0.21 105.19 104.33 2k93 n GLY 74 Ca -0.02 0.60 0.30 0.00 0.00 0.00 0.00 46.02 46.91 2k93 n GLY 74 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 2k93 h HIS 75 N 0.00 0.29 -1.64 1.61 2.07 -1.75 0.29 115.15 116.02 2k93 h HIS 75 Ca 0.81 0.01 0.50 0.00 -2.85 0.00 0.00 60.37 58.84 2k93 h HIS 75 Cb 3.22 -0.08 -0.10 0.00 2.57 0.00 0.00 27.41 33.02 2k93 h HIS 75 CO -0.00 0.01 1.14 -0.56 -3.07 0.00 0.00 177.93 175.45 2k93 h GLN 76 N 0.16 0.03 0.00 5.12 3.07 0.22 -3.55 115.11 120.15 2k93 h GLN 76 Ca 0.59 -0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.33 2k93 h GLN 76 Cb 1.99 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 29.54 2k93 h GLN 76 CO -0.14 0.02 0.00 0.00 0.09 0.00 0.00 178.83 178.79