#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 1.31 0.00 0.44 -4.23 -1.26 -4.42 115.64 107.48 2k93 s THR 2 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 2k93 s THR 2 Cb 0.00 -2.06 0.00 0.00 1.34 0.00 0.00 72.50 71.78 2k93 s THR 2 CO 0.00 0.00 0.75 -0.38 -0.54 0.00 0.00 174.62 174.45 2k93 n ILE 3 N -5.56 0.00 -0.41 2.99 2.08 -1.26 -1.33 119.36 115.86 2k93 n ILE 3 Ca 0.11 1.25 0.34 0.00 0.56 0.00 0.00 62.75 65.02 2k93 n ILE 3 Cb 0.59 -2.01 0.65 0.00 -0.75 0.00 0.00 39.64 38.12 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 0.14 0.00 0.38 4.81 -1.92 -0.86 114.58 117.13 2k93 h GLU 4 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2k93 h GLU 4 Cb 0.00 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.35 2k93 h GLU 4 CO 0.00 0.10 0.00 -1.91 -0.73 0.00 0.00 179.01 176.47 2k93 n GLU 5 N -4.50 0.00 -0.34 1.92 4.07 -0.44 -0.37 120.64 120.98 2k93 n GLU 5 Ca 0.32 0.21 0.21 0.00 -0.06 0.00 0.00 57.16 57.85 2k93 n GLU 5 Cb 1.30 -1.03 0.44 0.00 -0.06 0.00 0.00 31.44 32.09 2k93 n GLU 5 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2k93 h ARG 6 N 0.00 0.44 0.00 5.31 3.08 -0.76 -1.46 114.38 121.00 2k93 h ARG 6 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2k93 h ARG 6 Cb 0.00 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 29.95 2k93 h ARG 6 CO 0.00 0.29 -0.05 0.28 -1.07 0.00 0.00 179.97 179.42 2k93 h VAL 7 N 0.45 0.00 -0.92 2.04 2.07 -0.87 0.18 116.25 119.20 2k93 h VAL 7 Ca 0.68 0.00 0.18 0.00 0.82 0.00 0.00 66.70 68.38 2k93 h VAL 7 Cb 1.46 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 31.06 2k93 h VAL 7 CO -0.51 0.00 -0.24 0.11 0.02 0.00 0.00 177.57 176.95 2k93 h LYS 8 N -0.07 -0.00 -0.07 1.57 6.56 0.33 0.15 116.57 125.04 2k93 h LYS 8 Ca 0.00 0.00 0.02 0.00 -1.06 0.00 0.00 60.65 59.61 2k93 h LYS 8 Cb 0.07 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 31.70 2k93 h LYS 8 CO -0.03 -0.00 -0.30 -0.22 -2.06 0.00 0.00 179.45 176.84 2k93 h LYS 9 N -0.00 -0.31 -0.57 3.15 3.11 -0.72 0.74 116.57 121.96 2k93 h LYS 9 Ca 0.43 0.02 0.08 0.00 -2.81 0.00 0.00 60.65 58.38 2k93 h LYS 9 Cb 0.66 0.07 -0.10 0.00 -1.00 0.00 0.00 32.23 31.86 2k93 h LYS 9 CO -0.95 -0.21 -0.44 0.82 -2.81 0.00 0.00 179.45 175.86 2k93 h ILE 10 N -0.32 0.08 -0.99 2.00 1.08 0.19 0.99 117.51 120.54 2k93 h ILE 10 Ca 0.02 0.00 0.22 0.00 -0.39 0.00 0.00 64.86 64.70 2k93 h ILE 10 Cb 0.37 0.08 -0.09 0.00 -3.07 0.00 0.00 36.82 34.11 2k93 h ILE 10 CO -0.24 0.00 0.62 0.40 -0.69 0.00 0.00 178.15 178.25 2k93 h ILE 11 N -0.24 0.64 0.00 -0.67 2.04 -0.05 1.57 117.51 120.80 2k93 h ILE 11 Ca 0.17 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.84 2k93 h ILE 11 Cb 0.56 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 2k93 h ILE 11 CO -0.68 0.10 0.00 1.23 0.00 0.00 0.00 178.15 178.80 2k93 h GLY 12 N 0.56 0.00 0.45 5.37 0.00 0.74 -2.29 103.07 107.91 2k93 h GLY 12 Ca 0.56 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.69 2k93 h GLY 12 CO -0.31 0.00 -1.86 -0.18 0.00 0.00 0.00 176.54 174.19 2k93 n GLN 13 N -2.75 0.65 -0.28 4.80 7.27 0.51 -1.99 117.38 125.59 2k93 n GLN 13 Ca 0.00 0.06 0.01 0.00 0.07 0.00 0.00 57.00 57.14 2k93 n GLN 13 Cb 0.23 -1.65 0.21 0.00 2.41 0.00 0.00 30.24 31.44 2k93 n GLN 13 CO 0.00 0.00 0.00 1.96 0.07 0.00 0.00 177.06 179.09 2k93 h GLN 14 N 0.00 1.07 0.00 3.69 4.20 -0.08 -3.39 115.11 120.60 2k93 h GLN 14 Ca -0.25 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.39 2k93 h GLN 14 Cb 1.68 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 29.21 2k93 h GLN 14 CO 0.03 0.71 0.00 1.28 -0.67 0.00 0.00 178.83 180.18 2k93 n LEU 15 N -4.43 0.22 0.00 1.46 4.77 -1.19 -4.64 117.00 113.18 2k93 n LEU 15 Ca 0.11 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 2k93 n LEU 15 Cb 0.08 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 2k93 n LEU 15 CO 0.35 -0.55 0.00 0.61 -1.33 0.00 0.00 177.39 176.47 2k93 n GLY 16 N 3.47 0.24 3.93 -0.72 0.00 -0.84 -5.09 105.19 106.18 2k93 n GLY 16 Ca 0.00 -0.04 -0.26 0.00 0.00 0.00 0.00 46.02 45.72 2k93 n GLY 16 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2k93 n VAL 17 N 0.00 0.00 -1.14 1.61 0.24 -1.21 -5.05 118.33 112.78 2k93 n VAL 17 Ca 0.00 -2.21 0.00 0.00 -2.04 0.00 0.00 64.34 60.09 2k93 n VAL 17 Cb 0.00 -0.08 0.00 0.00 -1.47 0.00 0.00 33.84 32.29 2k93 n VAL 17 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2k93 n LYS 18 N -1.89 3.81 -0.11 7.34 0.00 -1.26 -4.77 118.16 121.27 2k93 n LYS 18 Ca 0.01 0.00 -0.17 0.00 0.00 0.00 0.00 58.31 58.15 2k93 n LYS 18 Cb 0.64 0.00 -0.13 0.00 0.00 0.00 0.00 35.03 35.54 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 0.67 0.17 1.64 10.64 -1.26 -3.34 117.38 125.90 2k93 n GLN 19 Ca 0.00 0.14 0.13 0.00 -1.83 0.00 0.00 57.00 55.45 2k93 n GLN 19 Cb 0.00 -1.54 0.50 0.00 -0.86 0.00 0.00 30.24 28.33 2k93 n GLN 19 CO 0.00 0.00 0.00 1.49 -1.83 0.00 0.00 177.06 176.72 2k93 h GLU 20 N 0.01 0.00 0.00 2.61 4.81 -1.98 -1.01 114.58 119.02 2k93 h GLU 20 Ca -0.55 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.68 2k93 h GLU 20 Cb 1.97 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.35 2k93 h GLU 20 CO -0.05 0.00 -1.29 0.39 -0.73 0.00 0.00 179.01 177.33 2k93 n GLU 21 N -2.53 0.28 -1.42 1.92 1.02 -1.26 -4.26 120.64 114.40 2k93 n GLU 21 Ca 0.03 -0.06 -0.06 0.00 -0.02 0.00 0.00 57.16 57.05 2k93 n GLU 21 Cb 0.31 -1.49 0.11 0.00 -0.02 0.00 0.00 31.44 30.34 2k93 n GLU 21 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 2k93 n VAL 22 N -1.72 1.99 -0.97 2.62 3.14 -0.93 -4.83 118.33 117.61 2k93 n VAL 22 Ca 0.02 -3.31 -0.33 0.00 -2.96 0.00 0.00 64.34 57.75 2k93 n VAL 22 Cb 0.40 -0.28 0.02 0.00 -1.06 0.00 0.00 33.84 32.92 2k93 n VAL 22 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 2k93 n THR 23 N -0.74 0.00 -0.28 1.55 -2.24 -0.43 -4.55 114.28 107.60 2k93 n THR 23 Ca 0.25 -0.44 -0.12 0.00 -2.27 0.00 0.00 64.05 61.48 2k93 n THR 23 Cb 0.85 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.99 2k93 n THR 23 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2k93 h ASN 24 N -0.49 -1.98 -0.64 3.42 -1.07 -1.97 0.72 115.58 113.57 2k93 h ASN 24 Ca -0.37 0.29 -0.37 0.00 0.07 0.00 0.00 56.30 55.91 2k93 h ASN 24 Cb 1.20 0.85 -0.14 0.00 -2.07 0.00 0.00 38.32 38.15 2k93 h ASN 24 CO 0.27 -0.32 0.36 0.59 0.07 0.00 0.00 177.43 178.41 2k93 n ASN 25 N -5.32 6.39 -4.80 6.14 4.13 -1.26 0.19 115.26 120.72 2k93 n ASN 25 Ca -0.00 -3.07 -0.31 0.00 1.68 0.00 0.00 54.58 52.88 2k93 n ASN 25 Cb 0.31 -1.14 0.07 0.00 -1.54 0.00 0.00 39.78 37.48 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 -1.60 2.46 0.18 5.41 0.00 0.25 -4.87 121.76 123.59 2k93 s ALA 26 Ca 0.42 0.02 0.02 0.00 0.00 0.00 0.00 51.96 52.42 2k93 s ALA 26 Cb 0.29 -3.17 0.02 0.00 0.00 0.00 0.00 23.12 20.26 2k93 s ALA 26 CO -0.08 -1.48 0.18 0.43 0.00 0.00 0.00 175.76 174.81 2k93 n SER 27 N -3.29 1.20 0.09 0.00 7.64 -1.26 -2.47 113.62 115.52 2k93 n SER 27 Ca 0.08 -1.56 0.00 0.00 1.01 0.00 0.00 58.87 58.40 2k93 n SER 27 Cb 0.54 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 2k93 n SER 27 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2k93 n PHE 28 N -1.11 -1.34 0.28 1.43 3.01 -1.26 -4.21 117.46 114.26 2k93 n PHE 28 Ca 0.02 0.24 0.17 0.00 1.01 0.00 0.00 57.45 58.88 2k93 n PHE 28 Cb 0.20 0.38 0.79 0.00 -0.01 0.00 0.00 39.48 40.84 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 0.21 0.00 -4.37 2.07 -1.86 2.20 116.25 114.50 2k93 h VAL 29 Ca 0.00 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.05 2k93 h VAL 29 Cb 0.00 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 2k93 h VAL 29 CO 0.00 0.06 -1.34 -0.62 0.02 0.00 0.00 177.57 175.68 2k93 n GLU 30 N -3.27 0.94 -0.03 1.57 1.02 -1.26 -3.66 120.64 115.95 2k93 n GLU 30 Ca -0.01 -0.09 -0.03 0.00 -0.02 0.00 0.00 57.16 57.01 2k93 n GLU 30 Cb 0.25 -1.24 -0.01 0.00 -0.02 0.00 0.00 31.44 30.42 2k93 n GLU 30 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2k93 n ASP 31 N -1.79 0.77 -1.79 1.62 4.64 -0.94 -4.61 116.55 114.46 2k93 n ASP 31 Ca -0.01 0.20 -0.15 0.00 -1.38 0.00 0.00 54.79 53.45 2k93 n ASP 31 Cb 0.29 -0.61 0.20 0.00 -1.04 0.00 0.00 41.12 39.96 2k93 n ASP 31 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 2k93 n LEU 32 N -3.27 5.66 -1.62 -2.67 7.99 0.34 -4.89 117.00 118.54 2k93 n LEU 32 Ca -0.05 -3.64 -0.05 0.00 -0.01 0.00 0.00 56.01 52.27 2k93 n LEU 32 Cb 0.18 -0.75 -0.01 0.00 -0.11 0.00 0.00 43.42 42.73 2k93 n LEU 32 CO 0.07 1.11 -0.05 0.61 -1.51 0.00 0.00 177.39 177.62 2k93 n GLY 33 N -1.06 0.10 2.80 -0.72 0.00 0.62 -3.18 105.19 103.76 2k93 n GLY 33 Ca 0.48 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.47 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 -1.16 -2.49 -2.79 4.61 0.00 0.50 -4.67 120.51 114.51 2k93 n ALA 34 Ca -0.05 1.36 -0.35 0.00 0.00 0.00 0.00 53.44 54.40 2k93 n ALA 34 Cb 0.30 -2.89 -0.09 0.00 0.00 0.00 0.00 19.45 16.76 2k93 n ALA 34 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2k93 s ASP 35 N -0.37 5.49 0.28 0.00 1.01 -1.19 -4.91 116.67 116.98 2k93 s ASP 35 Ca -0.16 0.14 0.01 0.00 0.71 0.00 0.00 52.55 53.25 2k93 s ASP 35 Cb 0.01 -1.76 0.63 0.00 1.01 0.00 0.00 42.92 42.81 2k93 s ASP 35 CO 0.44 0.29 1.72 0.28 0.21 0.00 0.00 175.17 178.11 2k93 h SER 36 N 5.81 0.40 0.04 0.27 0.02 -1.94 1.39 113.55 119.54 2k93 h SER 36 Ca -0.45 0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 60.63 2k93 h SER 36 Cb 1.19 0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.81 2k93 h SER 36 CO 0.61 0.09 -0.01 -0.07 -1.14 0.00 0.00 176.83 176.31 2k93 h LEU 37 N 0.49 0.00 0.19 5.07 3.38 -1.94 0.31 115.31 122.80 2k93 h LEU 37 Ca 0.51 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.47 2k93 h LEU 37 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 2k93 h LEU 37 CO -0.45 0.01 -0.09 -0.78 0.09 0.00 0.00 178.44 177.22 2k93 h ASP 38 N 0.00 -0.21 0.09 -0.43 3.58 0.16 0.62 116.42 120.23 2k93 h ASP 38 Ca -0.00 -0.25 -0.01 0.00 0.42 0.00 0.00 57.03 57.18 2k93 h ASP 38 Cb 0.04 0.05 -0.00 0.00 1.72 0.00 0.00 39.33 41.14 2k93 h ASP 38 CO 0.00 0.34 -0.06 0.74 -2.88 0.00 0.00 179.24 177.38 2k93 h THR 39 N -0.96 0.84 0.15 2.25 2.02 -0.78 -0.03 112.91 116.40 2k93 h THR 39 Ca -0.03 -0.21 -0.24 0.00 0.77 0.00 0.00 66.41 66.70 2k93 h THR 39 Cb 0.45 1.12 0.02 0.00 -1.74 0.00 0.00 68.15 68.00 2k93 h THR 39 CO 0.04 0.06 -1.13 0.58 0.37 0.00 0.00 175.52 175.44 2k93 h VAL 40 N 0.00 1.31 0.00 3.16 2.07 -0.42 -3.22 116.25 119.15 2k93 h VAL 40 Ca -0.00 -2.52 -0.01 0.00 0.82 0.00 0.00 66.70 64.99 2k93 h VAL 40 Cb 0.12 3.02 -0.00 0.00 -1.52 0.00 0.00 31.29 32.90 2k93 h VAL 40 CO 0.01 0.73 -0.03 -0.33 0.02 0.00 0.00 177.57 177.97 2k93 h GLU 41 N -0.26 0.00 0.00 1.57 4.39 0.92 0.96 114.58 122.16 2k93 h GLU 41 Ca -0.22 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.35 2k93 h GLU 41 Cb 1.77 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.40 2k93 h GLU 41 CO 0.14 0.03 -0.64 1.25 -1.16 0.00 0.00 179.01 178.64 2k93 h LEU 42 N 0.00 0.00 0.00 1.33 5.85 -1.06 1.34 115.31 122.77 2k93 h LEU 42 Ca -0.00 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.62 2k93 h LEU 42 Cb 0.12 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 2k93 h LEU 42 CO 0.00 0.64 -0.50 0.58 -0.34 0.00 0.00 178.44 178.82 2k93 h VAL 43 N 0.00 0.77 0.05 1.05 2.07 -0.85 -2.94 116.25 116.39 2k93 h VAL 43 Ca -0.01 -2.10 -0.38 0.00 0.82 0.00 0.00 66.70 65.04 2k93 h VAL 43 Cb 1.29 2.37 -0.05 0.00 -1.52 0.00 0.00 31.29 33.38 2k93 h VAL 43 CO 0.08 0.44 -2.21 0.23 0.02 0.00 0.00 177.57 176.13 2k93 n MET 44 N -3.20 0.68 -0.03 1.57 2.81 -0.73 -3.28 117.12 114.95 2k93 n MET 44 Ca 0.02 0.24 -0.09 0.00 -1.81 0.00 0.00 57.70 56.06 2k93 n MET 44 Cb 0.72 -1.61 -0.03 0.00 -0.71 0.00 0.00 33.22 31.59 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 -0.12 0.08 -0.05 3.04 0.00 0.17 1.27 119.26 123.65 2k93 h ALA 45 Ca -0.52 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.38 2k93 h ALA 45 Cb 1.87 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.82 2k93 h ALA 45 CO -0.07 -0.50 -0.33 -0.07 0.00 0.00 0.00 179.25 178.27 2k93 h LEU 46 N -0.04 0.09 -0.26 0.00 3.38 -1.70 0.19 115.31 116.96 2k93 h LEU 46 Ca 0.09 -0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.90 2k93 h LEU 46 Cb 0.18 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 2k93 h LEU 46 CO -0.20 0.42 -0.36 -0.33 0.09 0.00 0.00 178.44 178.06 2k93 h GLU 47 N 0.08 0.71 0.00 1.13 5.08 -1.07 -0.65 114.58 119.86 2k93 h GLU 47 Ca 0.01 -0.41 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 2k93 h GLU 47 Cb 0.63 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.92 2k93 h GLU 47 CO 0.05 1.03 0.00 -1.91 -1.00 0.00 0.00 179.01 177.18 2k93 n GLU 48 N -4.21 0.20 0.00 2.33 0.00 0.42 -0.82 120.64 118.56 2k93 n GLU 48 Ca -0.05 0.19 0.00 0.00 0.00 0.00 0.00 57.16 57.30 2k93 n GLU 48 Cb 0.52 -1.75 0.00 0.00 0.00 0.00 0.00 31.44 30.21 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 -2.10 0.00 -0.96 5.31 2.13 0.64 -4.74 120.64 120.91 2k93 n GLU 49 Ca 0.06 0.33 0.05 0.00 0.66 0.00 0.00 57.16 58.26 2k93 n GLU 49 Cb 0.40 -0.82 0.12 0.00 0.27 0.00 0.00 31.44 31.41 2k93 n GLU 49 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 2k93 n PHE 50 N -1.92 0.00 -3.97 4.31 3.72 -0.32 -5.01 117.46 114.27 2k93 n PHE 50 Ca 0.00 -1.00 -0.38 0.00 -0.05 0.00 0.00 57.45 56.02 2k93 n PHE 50 Cb 0.00 -0.20 0.01 0.00 -0.94 0.00 0.00 39.48 38.35 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 -0.41 -4.39 -0.00 4.37 2.03 -0.00 -4.85 116.55 113.29 2k93 n ASP 51 Ca 0.13 -1.18 0.05 0.00 0.52 0.00 0.00 54.79 54.31 2k93 n ASP 51 Cb 0.88 -1.58 -0.07 0.00 -0.72 0.00 0.00 41.12 39.63 2k93 n ASP 51 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 2k93 n THR 52 N -4.04 0.00 -3.26 5.18 5.66 -1.02 -4.92 114.28 111.89 2k93 n THR 52 Ca -0.21 -0.23 -0.12 0.00 -3.05 0.00 0.00 64.05 60.45 2k93 n THR 52 Cb 0.62 0.40 0.01 0.00 -1.55 0.00 0.00 70.33 69.81 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 -1.74 -0.89 -2.38 1.09 0.28 -1.26 -4.82 120.64 110.93 2k93 n GLU 53 Ca -0.01 1.05 -0.42 0.00 -0.16 0.00 0.00 57.16 57.62 2k93 n GLU 53 Cb 0.24 -1.50 -0.03 0.00 1.43 0.00 0.00 31.44 31.57 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 -1.18 3.83 0.00 3.84 -1.16 -1.26 -5.00 121.20 120.27 2k93 s ILE 54 Ca 0.12 1.36 0.00 0.00 -0.51 0.00 0.00 60.65 61.62 2k93 s ILE 54 Cb -0.01 -3.87 0.00 0.00 0.61 0.00 0.00 42.46 39.18 2k93 s ILE 54 CO 0.29 0.13 0.00 -0.81 -2.81 0.00 0.00 174.94 171.75 2k93 n PRO 55 N 3.60 -0.23 -0.00 3.50 -0.04 -1.26 -4.30 135.00 136.27 2k93 n PRO 55 Ca 0.08 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.65 2k93 n PRO 55 Cb 0.45 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.78 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 -2.46 0.49 -0.07 3.54 -0.08 -1.26 -3.37 116.55 113.34 2k93 n ASP 56 Ca 0.00 -0.44 -0.14 0.00 -1.51 0.00 0.00 54.79 52.71 2k93 n ASP 56 Cb 0.00 1.45 -0.12 0.00 2.34 0.00 0.00 41.12 44.79 2k93 n ASP 56 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 2k93 h GLU 57 N 0.00 0.00 0.00 -0.67 4.11 -2.01 -3.05 114.58 112.96 2k93 h GLU 57 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2k93 h GLU 57 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 2k93 h GLU 57 CO 0.00 0.96 0.00 0.93 0.07 0.00 0.00 179.01 180.97 2k93 h GLU 58 N -1.00 0.00 0.00 1.06 3.07 -1.97 -2.90 114.58 112.84 2k93 h GLU 58 Ca -0.01 0.00 -0.17 0.00 -0.50 0.00 0.00 59.36 58.68 2k93 h GLU 58 Cb 0.96 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.85 2k93 h GLU 58 CO -0.00 0.00 -0.81 0.00 -1.40 0.00 0.00 179.01 176.80 2k93 h ALA 59 N 2.29 0.66 0.07 3.43 0.00 -1.64 -2.63 119.26 121.45 2k93 h ALA 59 Ca 0.00 -0.73 -0.00 0.00 0.00 0.00 0.00 54.91 54.18 2k93 h ALA 59 Cb 0.67 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 2k93 h ALA 59 CO 0.00 1.00 -0.04 1.49 0.00 0.00 0.00 179.25 181.69 2k93 h GLU 60 N 0.01 -0.10 0.00 0.00 4.22 -1.39 0.93 114.58 118.25 2k93 h GLU 60 Ca -0.01 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.44 2k93 h GLU 60 Cb 1.43 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.70 2k93 h GLU 60 CO 0.11 -0.07 0.00 0.36 -2.18 0.00 0.00 179.01 177.23 2k93 n LYS 61 N -5.14 0.99 -0.11 1.92 2.85 -1.23 -2.44 118.16 115.00 2k93 n LYS 61 Ca -0.08 0.00 0.06 0.00 -1.05 0.00 0.00 58.31 57.24 2k93 n LYS 61 Cb 0.07 -1.43 0.08 0.00 -0.65 0.00 0.00 35.03 33.11 2k93 n LYS 61 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 2k93 n ILE 62 N -0.93 1.32 -0.23 0.58 5.41 -0.21 -4.76 119.36 120.54 2k93 n ILE 62 Ca 0.20 -1.54 0.02 0.00 1.00 0.00 0.00 62.75 62.43 2k93 n ILE 62 Cb 0.09 0.10 0.14 0.00 -0.71 0.00 0.00 39.64 39.26 2k93 n ILE 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2k93 h THR 63 N 1.13 0.75 -0.61 1.39 1.03 0.12 -3.42 112.91 113.30 2k93 h THR 63 Ca 0.00 -0.15 0.00 0.00 -0.01 0.00 0.00 66.41 66.25 2k93 h THR 63 Cb 0.94 0.26 0.00 0.00 -1.07 0.00 0.00 68.15 68.28 2k93 h THR 63 CO 0.00 0.08 0.00 0.35 -0.01 0.00 0.00 175.52 175.94 2k93 n THR 64 N -4.98 0.00 -0.11 0.00 -2.24 -1.26 -4.54 114.28 101.15 2k93 n THR 64 Ca 0.11 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.67 2k93 n THR 64 Cb 0.31 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.47 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 -2.52 1.30 0.14 2.28 0.31 -1.03 -4.40 118.33 114.41 2k93 n VAL 65 Ca 0.00 -0.23 0.19 0.00 -0.01 0.00 0.00 64.34 64.29 2k93 n VAL 65 Cb 0.00 -1.89 0.75 0.00 -0.91 0.00 0.00 33.84 31.80 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 -0.83 0.00 0.00 5.55 5.75 0.19 1.32 115.11 127.09 2k93 h GLN 66 Ca -0.49 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 57.98 2k93 h GLN 66 Cb 1.39 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.94 2k93 h GLN 66 CO -0.29 0.00 -0.18 0.00 -2.65 0.00 0.00 178.83 175.71 2k93 h ALA 67 N 1.46 1.05 -0.20 3.38 0.00 -1.82 -0.93 119.26 122.19 2k93 h ALA 67 Ca 0.15 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k93 h ALA 67 Cb 1.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2k93 h ALA 67 CO -0.00 0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.47 2k93 n ALA 68 N -2.21 2.50 -0.04 0.00 0.00 0.45 -2.83 120.51 118.38 2k93 n ALA 68 Ca -0.00 -0.55 -0.05 0.00 0.00 0.00 0.00 53.44 52.84 2k93 n ALA 68 Cb 0.38 -1.06 -0.06 0.00 0.00 0.00 0.00 19.45 18.71 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 0.38 0.53 0.08 0.00 -0.00 -0.47 -3.97 119.36 115.91 2k93 n ILE 69 Ca 0.15 -0.29 -0.10 0.00 -0.00 0.00 0.00 62.75 62.51 2k93 n ILE 69 Cb 0.33 -0.81 -0.03 0.00 -0.00 0.00 0.00 39.64 39.12 2k93 n ILE 69 CO 0.00 0.00 0.00 -0.78 -0.00 0.00 0.00 176.55 175.77 2k93 h ASP 70 N 0.00 0.32 0.38 4.38 1.82 -1.31 -0.04 116.42 121.97 2k93 h ASP 70 Ca -0.21 -0.27 -0.25 0.00 -0.39 0.00 0.00 57.03 55.91 2k93 h ASP 70 Cb 1.43 -0.10 0.01 0.00 0.68 0.00 0.00 39.33 41.35 2k93 h ASP 70 CO -0.00 1.09 -1.08 0.22 -1.61 0.00 0.00 179.24 177.85 2k93 h TYR 71 N 0.13 0.65 -0.01 0.28 3.20 -1.77 -3.25 116.97 116.20 2k93 h TYR 71 Ca -0.06 -0.40 -0.21 0.00 3.14 0.00 0.00 58.73 61.21 2k93 h TYR 71 Cb 1.57 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 39.78 2k93 h TYR 71 CO 0.04 1.25 -0.87 0.82 -1.64 0.00 0.00 178.16 177.75 2k93 h ILE 72 N 0.20 1.43 -0.78 1.81 1.08 -1.68 -3.00 117.51 116.56 2k93 h ILE 72 Ca -0.12 -2.44 0.23 0.00 -0.39 0.00 0.00 64.86 62.14 2k93 h ILE 72 Cb 1.75 2.37 -0.03 0.00 -3.07 0.00 0.00 36.82 37.84 2k93 h ILE 72 CO 0.19 0.72 0.66 -1.13 -0.69 0.00 0.00 178.15 177.90 2k93 h ASN 73 N 0.19 0.00 0.00 1.72 -0.73 -1.03 0.67 115.58 116.40 2k93 h ASN 73 Ca -0.06 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.11 2k93 h ASN 73 Cb 1.49 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.08 2k93 h ASN 73 CO 0.14 0.00 0.24 1.23 -0.37 0.00 0.00 177.43 178.67 2k93 h GLY 74 N 0.00 0.00 1.11 1.57 0.00 -1.61 0.90 103.07 105.04 2k93 h GLY 74 Ca 0.37 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.73 2k93 h GLY 74 CO -0.00 0.00 0.54 0.84 0.00 0.00 0.00 176.54 177.92 2k93 h HIS 75 N 0.00 0.99 0.18 5.60 -0.00 0.13 -2.96 115.15 119.10 2k93 h HIS 75 Ca 0.00 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.39 2k93 h HIS 75 Cb 0.47 -0.33 0.00 0.00 -0.00 0.00 0.00 27.41 27.55 2k93 h HIS 75 CO 0.00 0.59 -0.09 1.96 -0.00 0.00 0.00 177.93 180.39 2k93 h GLN 76 N 1.04 -0.24 0.00 5.26 7.50 -1.02 -3.54 115.11 124.12 2k93 h GLN 76 Ca 0.32 0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.48 2k93 h GLN 76 Cb -0.01 0.05 0.00 0.00 0.05 0.00 0.00 27.48 27.57 2k93 h GLN 76 CO -0.09 0.11 0.00 0.00 -1.50 0.00 0.00 178.83 177.35