#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k94 n THR 2 N 0.00 0.07 -0.08 0.44 -2.24 -1.26 -4.64 114.28 106.57 2k94 n THR 2 Ca 0.00 -0.49 -0.09 0.00 -2.27 0.00 0.00 64.05 61.21 2k94 n THR 2 Cb 0.00 -0.05 -0.03 0.00 -2.10 0.00 0.00 70.33 68.15 2k94 n THR 2 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 2k94 h ILE 3 N -0.70 0.23 -0.78 2.28 -0.00 -1.92 0.34 117.51 116.96 2k94 h ILE 3 Ca -0.43 0.00 0.17 0.00 -0.00 0.00 0.00 64.86 64.60 2k94 h ILE 3 Cb 1.35 0.23 -0.05 0.00 -0.00 0.00 0.00 36.82 38.35 2k94 h ILE 3 CO 0.30 0.00 0.53 1.05 -0.00 0.00 0.00 178.15 180.02 2k94 h GLU 4 N -0.31 0.31 -1.05 2.19 4.11 -1.88 -0.60 114.58 117.35 2k94 h GLU 4 Ca 0.14 -0.02 0.38 0.00 0.07 0.00 0.00 59.36 59.94 2k94 h GLU 4 Cb 0.55 -0.07 -0.16 0.00 0.50 0.00 0.00 28.75 29.57 2k94 h GLU 4 CO -0.48 0.21 0.60 1.49 0.07 0.00 0.00 179.01 180.90 2k94 h GLU 5 N 0.32 0.13 0.03 1.06 4.22 -0.58 1.69 114.58 121.46 2k94 h GLU 5 Ca 0.39 -0.01 -0.26 0.00 0.08 0.00 0.00 59.36 59.56 2k94 h GLU 5 Cb 1.04 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.23 2k94 h GLU 5 CO -0.11 0.09 -1.35 0.00 -2.18 0.00 0.00 179.01 175.46 2k94 h ARG 6 N 0.14 0.06 0.10 1.92 3.08 -1.16 -3.28 114.38 115.24 2k94 h ARG 6 Ca 0.80 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 60.74 2k94 h ARG 6 Cb 2.08 0.04 0.00 0.00 0.08 0.00 0.00 29.97 32.17 2k94 h ARG 6 CO -0.66 0.87 -0.05 0.28 -1.07 0.00 0.00 179.97 179.35 2k94 h VAL 7 N 0.02 1.11 -0.52 2.04 2.07 0.21 -3.19 116.25 117.99 2k94 h VAL 7 Ca -0.15 -0.88 0.10 0.00 0.82 0.00 0.00 66.70 66.58 2k94 h VAL 7 Cb 1.91 1.67 -0.11 0.00 -1.52 0.00 0.00 31.29 33.24 2k94 h VAL 7 CO 0.12 0.21 -0.31 0.11 0.02 0.00 0.00 177.57 177.72 2k94 h LYS 8 N -0.55 -0.17 0.00 1.57 1.79 0.99 0.56 116.57 120.76 2k94 h LYS 8 Ca -0.01 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2k94 h LYS 8 Cb 0.45 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.14 2k94 h LYS 8 CO 0.02 -0.11 0.00 1.63 -1.08 0.00 0.00 179.45 179.91 2k94 n LYS 9 N -5.43 0.00 -0.28 3.15 5.02 -1.22 -0.06 118.16 119.34 2k94 n LYS 9 Ca 0.03 0.36 0.08 0.00 -2.02 0.00 0.00 58.31 56.77 2k94 n LYS 9 Cb 0.34 -0.94 0.20 0.00 -0.02 0.00 0.00 35.03 34.62 2k94 n LYS 9 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2k94 h ILE 10 N 0.00 0.28 0.00 -0.18 2.04 -1.52 0.38 117.51 118.51 2k94 h ILE 10 Ca 0.00 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.82 2k94 h ILE 10 Cb 0.00 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.24 2k94 h ILE 10 CO 0.00 0.02 0.00 -0.38 0.00 0.00 0.00 178.15 177.79 2k94 n ILE 11 N -5.35 0.00 -0.34 -0.67 2.08 0.20 0.96 119.36 116.23 2k94 n ILE 11 Ca 0.16 0.89 0.22 0.00 0.56 0.00 0.00 62.75 64.58 2k94 n ILE 11 Cb 0.55 -1.54 0.46 0.00 -0.75 0.00 0.00 39.64 38.36 2k94 n ILE 11 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 2k94 h GLY 12 N 0.00 1.68 0.14 7.39 0.00 -0.21 -1.73 103.07 110.34 2k94 h GLY 12 Ca 0.00 -0.25 -0.00 0.00 0.00 0.00 0.00 47.33 47.07 2k94 h GLY 12 CO 0.00 -0.26 -0.20 1.46 0.00 0.00 0.00 176.54 177.54 2k94 h GLN 13 N 0.45 -0.34 -0.92 4.80 7.50 0.60 1.19 115.11 128.38 2k94 h GLN 13 Ca 0.66 0.02 0.32 0.00 0.50 0.00 0.00 58.65 60.15 2k94 h GLN 13 Cb 1.48 0.08 -0.17 0.00 0.05 0.00 0.00 27.48 28.92 2k94 h GLN 13 CO -0.44 -0.23 0.27 1.04 -1.50 0.00 0.00 178.83 177.98 2k94 n GLN 14 N -3.53 -0.06 0.01 1.46 6.02 0.27 0.56 117.38 122.10 2k94 n GLN 14 Ca -0.04 1.33 -0.12 0.00 -0.01 0.00 0.00 57.00 58.16 2k94 n GLN 14 Cb 0.17 -2.25 -0.09 0.00 1.02 0.00 0.00 30.24 29.09 2k94 n GLN 14 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2k94 h LEU 15 N 0.00 -0.10 0.00 1.08 7.12 -1.12 -3.48 115.31 118.82 2k94 h LEU 15 Ca 0.68 -0.49 0.00 0.00 0.13 0.00 0.00 57.88 58.20 2k94 h LEU 15 Cb 1.64 0.02 0.00 0.00 -0.53 0.00 0.00 40.66 41.79 2k94 h LEU 15 CO -0.79 0.49 0.00 0.61 -0.13 0.00 0.00 178.44 178.63 2k94 n GLY 16 N 0.59 0.99 2.96 3.75 0.00 0.40 -5.11 105.19 108.78 2k94 n GLY 16 Ca -0.08 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.83 2k94 n GLY 16 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2k94 s VAL 17 N -1.78 0.14 0.61 1.61 -7.23 -0.41 -5.00 120.40 108.35 2k94 s VAL 17 Ca 0.00 -0.70 -0.18 0.00 -1.81 0.00 0.00 61.98 59.29 2k94 s VAL 17 Cb 0.00 -0.25 -0.06 0.00 0.56 0.00 0.00 36.38 36.63 2k94 s VAL 17 CO 0.00 -0.35 0.70 2.29 -0.31 0.00 0.00 175.10 177.43 2k94 n LYS 18 N 1.96 0.60 0.16 4.82 2.85 -1.26 -3.87 118.16 123.42 2k94 n LYS 18 Ca -0.21 0.24 0.18 0.00 -1.05 0.00 0.00 58.31 57.47 2k94 n LYS 18 Cb 0.56 -1.91 0.79 0.00 -0.65 0.00 0.00 35.03 33.82 2k94 n LYS 18 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 177.40 176.79 2k94 h GLN 19 N 0.19 0.00 -0.65 -1.58 -0.00 -1.90 0.95 115.11 112.12 2k94 h GLN 19 Ca -0.47 0.00 -0.09 0.00 -0.00 0.00 0.00 58.65 58.10 2k94 h GLN 19 Cb 1.38 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 28.83 2k94 h GLN 19 CO 0.48 0.00 0.07 1.49 -0.00 0.00 0.00 178.83 180.87 2k94 h GLU 20 N 0.00 1.10 -0.34 0.06 4.81 -1.96 -2.23 114.58 116.01 2k94 h GLU 20 Ca 0.13 -0.31 0.10 0.00 -0.13 0.00 0.00 59.36 59.14 2k94 h GLU 20 Cb 0.68 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 2k94 h GLU 20 CO -0.00 1.03 0.26 1.49 -0.73 0.00 0.00 179.01 181.05 2k94 h GLU 21 N 1.02 0.00 -6.64 1.92 4.22 -1.12 -3.38 114.58 110.60 2k94 h GLU 21 Ca 0.19 0.00 -0.56 0.00 0.08 0.00 0.00 59.36 59.07 2k94 h GLU 21 Cb 0.48 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.66 2k94 h GLU 21 CO 0.02 0.00 0.92 0.08 -2.18 0.00 0.00 179.01 177.85 2k94 s VAL 22 N -4.97 4.24 0.14 0.32 1.01 -0.84 -5.02 120.40 115.28 2k94 s VAL 22 Ca -0.05 1.30 0.05 0.00 0.00 0.00 0.00 61.98 63.27 2k94 s VAL 22 Cb 0.18 -4.56 -0.04 0.00 0.00 0.00 0.00 36.38 31.96 2k94 s VAL 22 CO 0.69 -0.92 0.10 0.42 0.00 0.00 0.00 175.10 175.39 2k94 s THR 23 N 4.37 4.41 0.07 3.92 -4.23 -1.26 -4.99 115.64 117.93 2k94 s THR 23 Ca 0.48 -1.02 -0.31 0.00 -1.18 0.00 0.00 61.69 59.66 2k94 s THR 23 Cb -0.08 -3.21 -0.15 0.00 1.34 0.00 0.00 72.50 70.41 2k94 s THR 23 CO 0.29 -0.04 1.48 -1.13 -0.54 0.00 0.00 174.62 174.69 2k94 h ASN 24 N 2.72 -1.22 -0.38 3.99 -0.00 -1.96 -2.60 115.58 116.13 2k94 h ASN 24 Ca -0.47 0.10 -0.48 0.00 -0.00 0.00 0.00 56.30 55.45 2k94 h ASN 24 Cb 1.19 0.41 -0.07 0.00 -0.00 0.00 0.00 38.32 39.85 2k94 h ASN 24 CO 0.63 -0.57 1.51 -3.20 -0.00 0.00 0.00 177.43 175.80 2k94 n ASN 25 N -5.07 7.01 -0.69 1.15 5.15 -1.26 -3.94 115.26 117.60 2k94 n ASN 25 Ca -0.10 -2.75 0.00 0.00 -0.60 0.00 0.00 54.58 51.13 2k94 n ASN 25 Cb 0.39 -1.42 0.00 0.00 -0.53 0.00 0.00 39.78 38.23 2k94 n ASN 25 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k94 n ALA 26 N 2.41 0.00 -3.63 5.20 0.00 -0.98 -5.11 120.51 118.39 2k94 n ALA 26 Ca 0.58 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.90 2k94 n ALA 26 Cb 0.53 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.91 2k94 n ALA 26 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2k94 s SER 27 N -0.22 -0.73 0.00 0.00 0.15 -1.26 -4.69 113.70 106.94 2k94 s SER 27 Ca 0.00 1.36 0.10 0.00 0.70 0.00 0.00 55.95 58.11 2k94 s SER 27 Cb 0.00 1.37 0.58 0.00 -1.71 0.00 0.00 66.02 66.26 2k94 s SER 27 CO 0.00 -0.23 1.38 0.33 1.20 0.00 0.00 173.24 175.92 2k94 n PHE 28 N 2.87 0.02 0.00 3.44 7.35 0.74 0.17 117.46 132.04 2k94 n PHE 28 Ca -0.15 -0.01 0.00 0.00 -0.76 0.00 0.00 57.45 56.53 2k94 n PHE 28 Cb 0.56 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.39 2k94 n PHE 28 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 2k94 n VAL 29 N -0.60 0.00 -0.34 -2.13 0.31 -1.26 -0.62 118.33 113.69 2k94 n VAL 29 Ca 0.08 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.27 2k94 n VAL 29 Cb 0.05 -0.20 0.08 0.00 -0.91 0.00 0.00 33.84 32.86 2k94 n VAL 29 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2k94 n GLU 30 N -2.07 1.70 0.03 5.55 -0.58 -1.26 -3.35 120.64 120.66 2k94 n GLU 30 Ca 0.00 -1.59 0.00 0.00 -0.42 0.00 0.00 57.16 55.15 2k94 n GLU 30 Cb 0.00 -1.62 0.00 0.00 -0.57 0.00 0.00 31.44 29.25 2k94 n GLU 30 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2k94 n ASP 31 N -0.21 -0.45 0.21 1.62 2.03 -1.17 -4.62 116.55 113.96 2k94 n ASP 31 Ca 0.31 0.21 0.14 0.00 0.52 0.00 0.00 54.79 55.97 2k94 n ASP 31 Cb 0.98 0.63 0.39 0.00 -0.72 0.00 0.00 41.12 42.40 2k94 n ASP 31 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2k94 h LEU 32 N 0.00 0.00 -2.43 -2.67 4.07 0.14 -3.48 115.31 110.94 2k94 h LEU 32 Ca 0.00 0.00 0.01 0.00 0.08 0.00 0.00 57.88 57.97 2k94 h LEU 32 Cb 0.00 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 41.67 2k94 h LEU 32 CO 0.00 0.00 -0.91 0.61 -1.08 0.00 0.00 178.44 177.06 2k94 n GLY 33 N 0.72 -3.11 2.74 0.83 0.00 -1.21 -4.83 105.19 100.33 2k94 n GLY 33 Ca 0.03 0.98 -0.17 0.00 0.00 0.00 0.00 46.02 46.87 2k94 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k94 s ALA 34 N -0.38 0.13 1.16 4.61 0.00 0.21 -4.86 121.76 122.63 2k94 s ALA 34 Ca -0.16 0.27 -0.15 0.00 0.00 0.00 0.00 51.96 51.93 2k94 s ALA 34 Cb 0.01 -0.36 0.23 0.00 0.00 0.00 0.00 23.12 23.00 2k94 s ALA 34 CO 0.42 -0.22 0.53 -0.40 0.00 0.00 0.00 175.76 176.08 2k94 n ASP 35 N 4.52 -3.25 -0.01 0.00 5.68 -1.26 -4.57 116.55 117.67 2k94 n ASP 35 Ca -0.20 -0.53 0.14 0.00 -0.50 0.00 0.00 54.79 53.69 2k94 n ASP 35 Cb 0.50 -0.70 0.84 0.00 -1.14 0.00 0.00 41.12 40.62 2k94 n ASP 35 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2k94 n SER 36 N -3.50 0.02 -0.03 -1.12 3.41 -1.26 -2.45 113.62 108.69 2k94 n SER 36 Ca 0.08 -1.12 0.04 0.00 -0.26 0.00 0.00 58.87 57.62 2k94 n SER 36 Cb 0.37 -0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.16 2k94 n SER 36 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2k94 n LEU 37 N -0.93 0.11 -0.02 1.04 4.77 -1.26 -4.06 117.00 116.65 2k94 n LEU 37 Ca 0.21 0.05 -0.19 0.00 -0.03 0.00 0.00 56.01 56.05 2k94 n LEU 37 Cb 0.10 0.14 -0.14 0.00 -2.33 0.00 0.00 43.42 41.20 2k94 n LEU 37 CO 0.16 0.14 -0.87 -0.67 -1.33 0.00 0.00 177.39 174.82 2k94 n ASP 38 N -2.47 1.88 -0.32 -1.43 4.64 -1.13 -3.36 116.55 114.36 2k94 n ASP 38 Ca -0.12 0.17 0.02 0.00 -1.38 0.00 0.00 54.79 53.48 2k94 n ASP 38 Cb 0.76 -0.63 0.16 0.00 -1.04 0.00 0.00 41.12 40.36 2k94 n ASP 38 CO 0.00 0.00 0.00 0.74 -0.82 0.00 0.00 177.20 177.12 2k94 h THR 39 N 0.05 1.03 0.03 5.18 2.02 -1.69 -0.32 112.91 119.21 2k94 h THR 39 Ca -0.44 -0.34 -0.00 0.00 0.77 0.00 0.00 66.41 66.40 2k94 h THR 39 Cb 2.02 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 68.37 2k94 h THR 39 CO 0.06 0.18 -0.02 0.58 0.37 0.00 0.00 175.52 176.69 2k94 h VAL 40 N 1.00 0.00 -1.64 3.16 2.07 -1.73 -3.05 116.25 116.06 2k94 h VAL 40 Ca 0.40 -0.03 0.48 0.00 0.82 0.00 0.00 66.70 68.36 2k94 h VAL 40 Cb 0.21 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.92 2k94 h VAL 40 CO -0.19 0.00 1.36 -0.33 0.02 0.00 0.00 177.57 178.43 2k94 h GLU 41 N -0.07 0.00 0.39 1.57 5.08 -1.55 0.93 114.58 120.93 2k94 h GLU 41 Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2k94 h GLU 41 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2k94 h GLU 41 CO 0.01 0.00 -0.19 1.25 -1.00 0.00 0.00 179.01 179.08 2k94 h LEU 42 N 0.00 -0.45 -0.13 1.33 7.12 -0.98 -1.55 115.31 120.65 2k94 h LEU 42 Ca 0.78 -0.08 -0.06 0.00 0.13 0.00 0.00 57.88 58.65 2k94 h LEU 42 Cb 3.49 0.12 -0.00 0.00 -0.53 0.00 0.00 40.66 43.73 2k94 h LEU 42 CO -0.01 -0.18 -0.14 1.62 -0.13 0.00 0.00 178.44 179.61 2k94 h VAL 43 N -0.72 1.35 -0.55 1.05 3.04 0.86 -3.02 116.25 118.27 2k94 h VAL 43 Ca -0.05 -1.30 0.10 0.00 -1.01 0.00 0.00 66.70 64.43 2k94 h VAL 43 Cb 0.50 1.91 -0.11 0.00 -2.01 0.00 0.00 31.29 31.59 2k94 h VAL 43 CO 0.09 0.38 -0.37 -0.03 -1.01 0.00 0.00 177.57 176.63 2k94 h MET 44 N -0.06 -0.19 -0.97 4.17 4.05 -0.93 0.60 114.93 121.60 2k94 h MET 44 Ca 0.02 0.01 0.15 0.00 -0.28 0.00 0.00 59.70 59.60 2k94 h MET 44 Cb 0.67 0.04 -0.08 0.00 -0.80 0.00 0.00 31.60 31.42 2k94 h MET 44 CO 0.03 -0.13 0.61 0.00 0.23 0.00 0.00 176.91 177.66 2k94 h ALA 45 N 0.84 1.67 -0.48 0.39 0.00 -1.30 0.84 119.26 121.22 2k94 h ALA 45 Ca 0.21 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.04 2k94 h ALA 45 Cb 0.56 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2k94 h ALA 45 CO -0.66 0.06 -0.14 -0.07 0.00 0.00 0.00 179.25 178.44 2k94 h LEU 46 N 0.84 0.92 -2.41 0.00 3.38 0.12 0.97 115.31 119.13 2k94 h LEU 46 Ca 0.50 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2k94 h LEU 46 Cb 0.67 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2k94 h LEU 46 CO -0.27 1.06 0.05 -0.33 0.09 0.00 0.00 178.44 179.03 2k94 h GLU 47 N 0.82 0.00 0.00 1.13 5.08 0.22 -2.37 114.58 119.45 2k94 h GLU 47 Ca 0.13 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.29 2k94 h GLU 47 Cb 0.67 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.89 2k94 h GLU 47 CO 0.05 0.00 -1.75 -1.91 -1.00 0.00 0.00 179.01 174.39 2k94 n GLU 48 N -2.81 1.03 -0.31 2.33 2.13 -0.79 0.13 120.64 122.36 2k94 n GLU 48 Ca -0.02 0.05 0.12 0.00 0.66 0.00 0.00 57.16 57.97 2k94 n GLU 48 Cb 0.10 -1.27 0.27 0.00 0.27 0.00 0.00 31.44 30.81 2k94 n GLU 48 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 2k94 h GLU 49 N 0.00 0.08 -0.03 5.31 4.57 0.15 -0.65 114.58 124.02 2k94 h GLU 49 Ca -0.30 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.88 2k94 h GLU 49 Cb 1.53 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 30.11 2k94 h GLU 49 CO -0.02 0.06 0.00 0.34 -1.18 0.00 0.00 179.01 178.20 2k94 n PHE 50 N -5.38 0.04 -2.54 0.92 7.35 -1.12 -5.06 117.46 111.67 2k94 n PHE 50 Ca 0.21 -0.14 -0.02 0.00 -0.76 0.00 0.00 57.45 56.74 2k94 n PHE 50 Cb 0.68 -0.01 0.00 0.00 0.35 0.00 0.00 39.48 40.50 2k94 n PHE 50 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 2k94 n ASP 51 N 0.05 -7.02 -3.53 -2.13 9.92 -0.25 -5.08 116.55 108.51 2k94 n ASP 51 Ca 0.02 1.01 -0.14 0.00 -0.53 0.00 0.00 54.79 55.15 2k94 n ASP 51 Cb 0.14 -4.64 -0.05 0.00 -0.64 0.00 0.00 41.12 35.93 2k94 n ASP 51 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 2k94 s THR 52 N -1.62 0.00 0.03 -3.53 -1.32 0.36 -4.94 115.64 104.62 2k94 s THR 52 Ca 0.05 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.41 2k94 s THR 52 Cb -0.02 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.92 2k94 s THR 52 CO 0.65 0.00 0.40 -1.61 -2.21 0.00 0.00 174.62 171.85 2k94 s GLU 53 N -1.55 3.83 -0.17 7.08 2.02 -1.26 -4.23 118.70 124.42 2k94 s GLU 53 Ca -0.06 0.28 0.00 0.00 0.02 0.00 0.00 54.97 55.22 2k94 s GLU 53 Cb -0.00 -3.11 0.03 0.00 0.10 0.00 0.00 34.13 31.15 2k94 s GLU 53 CO 0.04 0.63 -0.12 -1.50 0.02 0.00 0.00 175.26 174.33 2k94 s ILE 54 N -1.23 1.55 0.74 -1.63 -1.16 -1.26 -5.07 121.20 113.14 2k94 s ILE 54 Ca 0.28 -0.76 -0.12 0.00 -0.51 0.00 0.00 60.65 59.53 2k94 s ILE 54 Cb -0.15 -1.54 0.18 0.00 0.61 0.00 0.00 42.46 41.56 2k94 s ILE 54 CO 0.15 0.33 0.73 -0.81 -2.81 0.00 0.00 174.94 172.53 2k94 n PRO 55 N 4.75 -1.98 0.02 3.50 -0.04 -1.26 -4.97 135.00 135.02 2k94 n PRO 55 Ca -0.16 -1.16 0.12 0.00 -0.04 0.00 0.00 63.50 62.26 2k94 n PRO 55 Cb 0.49 -1.00 0.14 0.00 -0.04 0.00 0.00 33.50 33.09 2k94 n PRO 55 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2k94 n ASP 56 N -4.03 0.62 -0.06 3.54 -0.08 -1.26 -3.67 116.55 111.61 2k94 n ASP 56 Ca 0.10 -0.26 -0.08 0.00 -1.51 0.00 0.00 54.79 53.05 2k94 n ASP 56 Cb 0.37 0.46 -0.07 0.00 2.34 0.00 0.00 41.12 44.23 2k94 n ASP 56 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 2k94 h GLU 57 N 0.00 0.00 -0.08 -0.67 5.08 -2.04 -3.31 114.58 113.56 2k94 h GLU 57 Ca 0.00 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2k94 h GLU 57 Cb 0.60 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 2k94 h GLU 57 CO 0.00 0.50 0.07 1.49 -1.00 0.00 0.00 179.01 180.07 2k94 h GLU 58 N -1.00 0.00 -1.10 2.33 4.22 -1.97 -1.46 114.58 115.60 2k94 h GLU 58 Ca -0.02 0.00 0.32 0.00 0.08 0.00 0.00 59.36 59.74 2k94 h GLU 58 Cb 0.54 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.75 2k94 h GLU 58 CO -0.01 0.00 0.91 0.00 -2.18 0.00 0.00 179.01 177.73 2k94 h ALA 59 N 1.93 2.99 -0.42 2.92 0.00 -1.65 0.11 119.26 125.13 2k94 h ALA 59 Ca 0.04 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.00 2k94 h ALA 59 Cb 0.18 0.08 -0.09 0.00 0.00 0.00 0.00 17.79 17.96 2k94 h ALA 59 CO -0.00 -1.48 -0.23 0.93 0.00 0.00 0.00 179.25 178.47 2k94 h GLU 60 N 0.00 -0.14 -1.90 0.00 5.08 -1.46 -0.09 114.58 116.07 2k94 h GLU 60 Ca 0.52 0.01 -0.49 0.00 -1.00 0.00 0.00 59.36 58.40 2k94 h GLU 60 Cb 2.34 0.03 -0.18 0.00 0.50 0.00 0.00 28.75 31.44 2k94 h GLU 60 CO -0.01 -0.10 0.45 0.36 -1.00 0.00 0.00 179.01 178.71 2k94 n LYS 61 N -5.39 2.34 -2.47 2.33 2.85 0.37 -4.04 118.16 114.14 2k94 n LYS 61 Ca 0.02 -2.32 -0.01 0.00 -1.05 0.00 0.00 58.31 54.95 2k94 n LYS 61 Cb 0.31 -2.08 0.07 0.00 -0.65 0.00 0.00 35.03 32.68 2k94 n LYS 61 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 2k94 n ILE 62 N 0.67 0.44 0.51 0.58 5.41 -0.05 -3.51 119.36 123.41 2k94 n ILE 62 Ca 0.47 -1.57 0.06 0.00 1.00 0.00 0.00 62.75 62.71 2k94 n ILE 62 Cb 0.54 1.06 -0.08 0.00 -0.71 0.00 0.00 39.64 40.45 2k94 n ILE 62 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 2k94 n THR 63 N -0.92 0.00 -2.99 1.39 5.66 -1.25 -4.83 114.28 111.34 2k94 n THR 63 Ca -0.09 -0.21 0.00 0.00 -3.05 0.00 0.00 64.05 60.70 2k94 n THR 63 Cb 0.85 0.86 0.00 0.00 -1.55 0.00 0.00 70.33 70.49 2k94 n THR 63 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 2k94 n THR 64 N -1.43 0.00 0.00 1.09 -2.24 -1.26 0.26 114.28 110.70 2k94 n THR 64 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 2k94 n THR 64 Cb 0.23 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.46 2k94 n THR 64 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2k94 n VAL 65 N 0.00 0.00 -0.34 2.28 0.31 -1.26 -3.79 118.33 115.53 2k94 n VAL 65 Ca 0.00 0.08 0.17 0.00 -0.01 0.00 0.00 64.34 64.58 2k94 n VAL 65 Cb 0.00 -0.33 0.33 0.00 -0.91 0.00 0.00 33.84 32.94 2k94 n VAL 65 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 2k94 h GLN 66 N 0.00 0.02 -0.95 5.55 4.15 -1.74 0.19 115.11 122.33 2k94 h GLN 66 Ca 0.00 -0.00 0.09 0.00 0.77 0.00 0.00 58.65 59.51 2k94 h GLN 66 Cb 0.00 -0.00 -0.12 0.00 0.21 0.00 0.00 27.48 27.57 2k94 h GLN 66 CO 0.00 0.01 -0.57 0.00 -1.93 0.00 0.00 178.83 176.34 2k94 h ALA 67 N 1.98 -0.52 0.09 3.38 0.00 -1.80 0.35 119.26 122.73 2k94 h ALA 67 Ca 0.63 0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.67 2k94 h ALA 67 Cb 1.37 1.34 -0.02 0.00 0.00 0.00 0.00 17.79 20.47 2k94 h ALA 67 CO -0.89 -0.95 -0.13 0.00 0.00 0.00 0.00 179.25 177.27 2k94 h ALA 68 N 0.51 -0.22 -1.16 0.00 0.00 -0.67 -0.70 119.26 117.02 2k94 h ALA 68 Ca 0.16 -0.02 0.34 0.00 0.00 0.00 0.00 54.91 55.39 2k94 h ALA 68 Cb 0.44 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 2k94 h ALA 68 CO -0.92 -0.65 0.86 0.82 0.00 0.00 0.00 179.25 179.36 2k94 h ILE 69 N -0.27 0.38 -0.35 0.00 2.04 -0.35 0.82 117.51 119.78 2k94 h ILE 69 Ca 0.02 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.74 2k94 h ILE 69 Cb 0.28 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 2k94 h ILE 69 CO -0.07 0.00 -0.33 -0.78 0.00 0.00 0.00 178.15 176.97 2k94 h ASP 70 N 0.00 0.89 -0.12 1.72 1.82 0.11 0.63 116.42 121.47 2k94 h ASP 70 Ca 0.55 -0.46 -0.02 0.00 -0.39 0.00 0.00 57.03 56.70 2k94 h ASP 70 Cb 2.26 -0.25 -0.00 0.00 0.68 0.00 0.00 39.33 42.02 2k94 h ASP 70 CO -0.01 1.17 -0.02 0.22 -1.61 0.00 0.00 179.24 179.00 2k94 h TYR 71 N 0.62 0.26 0.00 0.28 3.20 0.83 -2.71 116.97 119.45 2k94 h TYR 71 Ca 0.06 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.88 2k94 h TYR 71 Cb 0.91 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.12 2k94 h TYR 71 CO 0.07 0.50 0.00 0.82 -1.64 0.00 0.00 178.16 177.91 2k94 h ILE 72 N -0.07 0.00 0.26 1.81 1.08 -1.20 -2.94 117.51 116.45 2k94 h ILE 72 Ca 0.03 -0.47 -0.01 0.00 -0.39 0.00 0.00 64.86 64.03 2k94 h ILE 72 Cb 0.41 1.38 -0.00 0.00 -3.07 0.00 0.00 36.82 35.54 2k94 h ILE 72 CO 0.01 0.00 -0.16 -1.13 -0.69 0.00 0.00 178.15 176.18 2k94 h ASN 73 N 0.00 -0.41 0.00 1.72 -0.73 0.61 -3.45 115.58 113.33 2k94 h ASN 73 Ca 0.00 0.02 -0.05 0.00 1.87 0.00 0.00 56.30 58.14 2k94 h ASN 73 Cb 0.62 0.12 -0.05 0.00 0.27 0.00 0.00 38.32 39.28 2k94 h ASN 73 CO 0.00 -0.25 -0.11 0.61 -0.37 0.00 0.00 177.43 177.31 2k94 n GLY 74 N -1.20 -0.09 0.00 1.57 0.00 -1.21 -4.95 105.19 99.30 2k94 n GLY 74 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2k94 n GLY 74 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2k94 n HIS 75 N 0.00 0.00 -3.70 1.61 -0.00 -1.11 -4.83 115.22 107.19 2k94 n HIS 75 Ca -0.11 0.00 -0.30 0.00 0.46 0.00 0.00 57.72 57.77 2k94 n HIS 75 Cb 0.42 -0.25 0.01 0.00 -0.12 0.00 0.00 29.99 30.05 2k94 n HIS 75 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 2k94 n GLN 76 N -2.00 -1.69 0.00 1.57 1.13 -1.26 -5.13 117.38 110.00 2k94 n GLN 76 Ca 0.00 1.00 0.00 0.00 -1.94 0.00 0.00 57.00 56.06 2k94 n GLN 76 Cb 0.00 -2.15 0.00 0.00 0.11 0.00 0.00 30.24 28.20 2k94 n GLN 76 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62