#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 0.64 -0.31 0.44 -2.24 -1.26 -4.73 114.28 106.82 2k94 n THR 2 Ca 0.00 -0.16 -0.04 0.00 -2.27 0.00 0.00 64.05 61.58 2k94 n THR 2 Cb 0.00 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.24 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 2.25 0.06 -1.00 2.28 -0.00 -1.95 1.15 117.51 120.30 2k94 h ILE 3 Ca -0.42 0.00 0.23 0.00 -0.00 0.00 0.00 64.86 64.67 2k94 h ILE 3 Cb 1.38 0.06 -0.10 0.00 -0.00 0.00 0.00 36.82 38.16 2k94 h ILE 3 CO 0.60 0.00 0.62 1.05 -0.00 0.00 0.00 178.15 180.42 2k94 h GLU 4 N -0.07 0.56 -1.84 2.19 4.11 -1.86 0.14 114.58 117.79 2k94 h GLU 4 Ca 0.28 -0.03 0.55 0.00 0.07 0.00 0.00 59.36 60.23 2k94 h GLU 4 Cb 0.57 -0.13 -0.09 0.00 0.50 0.00 0.00 28.75 29.61 2k94 h GLU 4 CO -0.86 0.37 1.31 -1.91 0.07 0.00 0.00 179.01 177.99 2k94 n GLU 5 N -4.73 -0.01 -0.03 1.06 2.13 0.40 0.17 120.64 119.63 2k94 n GLU 5 Ca 0.24 1.09 -0.20 0.00 0.66 0.00 0.00 57.16 58.95 2k94 n GLU 5 Cb 0.72 -2.44 -0.13 0.00 0.27 0.00 0.00 31.44 29.85 2k94 n GLU 5 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2k94 n ARG 6 N -4.01 0.73 -0.17 5.31 1.74 0.46 -4.17 116.66 116.55 2k94 n ARG 6 Ca 0.43 0.23 -0.07 0.00 -0.77 0.00 0.00 57.85 57.67 2k94 n ARG 6 Cb 1.91 -1.66 0.02 0.00 -1.02 0.00 0.00 32.46 31.70 2k94 n ARG 6 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2k94 h VAL 7 N 0.05 1.16 -0.63 1.55 2.07 0.19 -2.70 116.25 117.94 2k94 h VAL 7 Ca -0.46 -0.36 0.12 0.00 0.82 0.00 0.00 66.70 66.83 2k94 h VAL 7 Cb 2.00 0.47 -0.12 0.00 -1.52 0.00 0.00 31.29 32.12 2k94 h VAL 7 CO 0.04 0.16 -0.20 0.11 0.02 0.00 0.00 177.57 177.70 2k94 h LYS 8 N 0.68 -0.04 0.00 1.57 1.79 0.31 0.37 116.57 121.25 2k94 h LYS 8 Ca 0.18 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.66 2k94 h LYS 8 Cb -0.01 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 2k94 h LYS 8 CO -0.03 -0.03 0.00 1.63 -1.08 0.00 0.00 179.45 179.94 2k94 n LYS 9 N -5.44 0.00 -0.35 3.15 5.02 -1.02 0.89 118.16 120.41 2k94 n LYS 9 Ca 0.07 0.19 0.30 0.00 -2.02 0.00 0.00 58.31 56.85 2k94 n LYS 9 Cb 0.34 -0.77 0.56 0.00 -0.02 0.00 0.00 35.03 35.15 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 0.14 0.00 -0.18 2.04 -1.59 0.44 117.51 118.37 2k94 h ILE 10 Ca 0.00 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.81 2k94 h ILE 10 Cb 0.00 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.07 2k94 h ILE 10 CO 0.00 0.03 0.00 -0.38 0.00 0.00 0.00 178.15 177.80 2k94 n ILE 11 N -5.06 0.00 -0.45 -0.67 2.08 0.13 -0.76 119.36 114.62 2k94 n ILE 11 Ca 0.35 0.77 0.37 0.00 0.56 0.00 0.00 62.75 64.80 2k94 n ILE 11 Cb 1.20 -1.71 0.66 0.00 -0.75 0.00 0.00 39.64 39.04 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 1.01 0.63 7.39 0.00 0.88 0.25 103.07 113.23 2k94 h GLY 12 Ca 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 2k94 h GLY 12 CO 0.00 -0.28 -0.39 1.46 0.00 0.00 0.00 176.54 177.33 2k94 h GLN 13 N 0.10 -0.79 0.00 4.80 7.50 0.01 0.93 115.11 127.67 2k94 h GLN 13 Ca 0.79 0.05 0.00 0.00 0.50 0.00 0.00 58.65 59.99 2k94 h GLN 13 Cb 2.58 0.18 0.00 0.00 0.05 0.00 0.00 27.48 30.28 2k94 h GLN 13 CO -0.31 -0.52 0.00 1.04 -1.50 0.00 0.00 178.83 177.53 2k94 n GLN 14 N -5.49 0.00 -0.30 1.46 6.02 0.87 -0.35 117.38 119.58 2k94 n GLN 14 Ca -0.11 0.72 0.10 0.00 -0.01 0.00 0.00 57.00 57.71 2k94 n GLN 14 Cb 0.39 -1.21 0.26 0.00 1.02 0.00 0.00 30.24 30.71 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 0.44 0.00 1.08 7.12 -1.58 -3.46 115.31 118.91 2k94 h LEU 15 Ca 0.00 0.12 0.00 0.00 0.13 0.00 0.00 57.88 58.13 2k94 h LEU 15 Cb 0.00 0.07 0.00 0.00 -0.53 0.00 0.00 40.66 40.20 2k94 h LEU 15 CO 0.00 0.12 0.00 0.61 -0.13 0.00 0.00 178.44 179.04 2k94 n GLY 16 N -1.33 0.67 3.13 3.75 0.00 0.13 -5.13 105.19 106.41 2k94 n GLY 16 Ca 0.19 -0.59 -0.13 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.87 0.01 0.35 1.61 -7.23 0.28 -4.98 120.40 109.58 2k94 s VAL 17 Ca 0.00 -0.11 -0.26 0.00 -1.81 0.00 0.00 61.98 59.80 2k94 s VAL 17 Cb 0.00 -0.38 -0.12 0.00 0.56 0.00 0.00 36.38 36.44 2k94 s VAL 17 CO 0.00 -0.06 1.02 2.29 -0.31 0.00 0.00 175.10 178.04 2k94 n LYS 18 N 2.66 1.41 -0.11 4.82 0.00 -1.26 -3.58 118.16 122.10 2k94 n LYS 18 Ca -0.14 0.50 0.27 0.00 -0.00 0.00 0.00 58.31 58.93 2k94 n LYS 18 Cb 0.58 -1.96 0.71 0.00 -0.00 0.00 0.00 35.03 34.36 2k94 n LYS 18 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.40 176.84 2k94 h GLN 19 N 1.84 0.00 0.00 -1.58 -0.00 -1.88 1.24 115.11 114.73 2k94 h GLN 19 Ca -0.42 0.00 -0.11 0.00 -0.00 0.00 0.00 58.65 58.12 2k94 h GLN 19 Cb 1.33 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 28.80 2k94 h GLN 19 CO 0.59 0.00 -0.53 1.49 -0.00 0.00 0.00 178.83 180.38 2k94 h GLU 20 N 0.00 0.00 0.00 0.06 4.81 -1.94 -2.62 114.58 114.88 2k94 h GLU 20 Ca 0.37 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.53 2k94 h GLU 20 Cb 1.73 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.10 2k94 h GLU 20 CO -0.00 0.53 -0.35 1.49 -0.73 0.00 0.00 179.01 179.94 2k94 h GLU 21 N 0.00 0.00 -6.28 1.92 4.22 0.13 -3.42 114.58 111.15 2k94 h GLU 21 Ca -0.01 0.00 -0.56 0.00 0.08 0.00 0.00 59.36 58.87 2k94 h GLU 21 Cb 0.94 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.15 2k94 h GLU 21 CO 0.07 0.35 1.03 0.08 -2.18 0.00 0.00 179.01 178.36 2k94 s VAL 22 N -3.70 3.94 0.14 0.32 1.01 -0.99 -5.01 120.40 116.12 2k94 s VAL 22 Ca -0.00 1.09 0.07 0.00 0.00 0.00 0.00 61.98 63.13 2k94 s VAL 22 Cb 0.11 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 2k94 s VAL 22 CO 0.68 -0.30 -0.02 0.42 0.00 0.00 0.00 175.10 175.88 2k94 s THR 23 N 4.50 3.72 -0.65 3.92 -4.23 -1.26 -5.00 115.64 116.64 2k94 s THR 23 Ca 0.63 -1.29 -0.19 0.00 -1.18 0.00 0.00 61.69 59.65 2k94 s THR 23 Cb -0.22 -2.82 0.10 0.00 1.34 0.00 0.00 72.50 70.90 2k94 s THR 23 CO 0.24 -0.01 0.80 0.20 -0.54 0.00 0.00 174.62 175.31 2k94 s ASN 24 N -2.66 6.24 0.00 3.99 -0.87 -1.26 -3.98 114.94 116.41 2k94 s ASN 24 Ca 0.26 -1.45 0.00 0.00 -1.57 0.00 0.00 52.86 50.10 2k94 s ASN 24 Cb -0.10 -2.33 0.00 0.00 -0.02 0.00 0.00 41.25 38.80 2k94 s ASN 24 CO 0.18 -1.16 0.00 -0.46 -2.57 0.00 0.00 177.10 173.09 2k94 n ASN 25 N 6.54 0.00 -4.00 -1.22 6.94 -1.26 -4.89 115.26 117.37 2k94 n ASN 25 Ca -0.04 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.52 2k94 n ASN 25 Cb 0.44 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.86 2k94 n ASN 25 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2k94 n ALA 26 N 0.00 0.00 -3.29 -2.53 0.00 -1.26 -4.98 120.51 108.45 2k94 n ALA 26 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 2k94 n ALA 26 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 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 -2.00 -0.31 0.00 0.00 0.15 -1.26 -4.50 113.70 105.79 2k94 s SER 27 Ca 0.00 0.35 0.15 0.00 0.70 0.00 0.00 55.95 57.15 2k94 s SER 27 Cb 0.00 0.47 0.44 0.00 -1.71 0.00 0.00 66.02 65.22 2k94 s SER 27 CO 0.00 -0.40 1.36 0.33 1.20 0.00 0.00 173.24 175.74 2k94 n PHE 28 N 1.61 0.56 0.00 3.44 7.35 0.55 -0.99 117.46 129.96 2k94 n PHE 28 Ca -0.19 -0.28 0.00 0.00 -0.76 0.00 0.00 57.45 56.22 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 0.80 0.00 0.15 -2.13 0.31 -1.10 0.11 118.33 116.47 2k94 n VAL 29 Ca 0.16 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.52 2k94 n VAL 29 Cb 0.39 -0.32 0.19 0.00 -0.91 0.00 0.00 33.84 33.19 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 -2.20 2.79 0.00 5.55 1.02 -1.26 -3.31 120.64 123.23 2k94 n GLU 30 Ca 0.00 -1.49 0.00 0.00 -0.02 0.00 0.00 57.16 55.65 2k94 n GLU 30 Cb 0.00 -1.83 0.00 0.00 -0.02 0.00 0.00 31.44 29.59 2k94 n GLU 30 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2k94 n ASP 31 N 0.31 0.00 0.12 1.62 8.00 -1.21 -4.79 116.55 120.60 2k94 n ASP 31 Ca 0.13 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.61 2k94 n ASP 31 Cb 0.68 0.22 0.10 0.00 -0.02 0.00 0.00 41.12 42.09 2k94 n ASP 31 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2k94 h LEU 32 N 0.00 0.00 -2.61 0.64 4.07 -1.30 -3.49 115.31 112.62 2k94 h LEU 32 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2k94 h LEU 32 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 2k94 h LEU 32 CO 0.00 0.71 -0.03 0.61 -1.08 0.00 0.00 178.44 178.65 2k94 n GLY 33 N 0.56 -0.89 3.51 0.83 0.00 -1.21 -4.89 105.19 103.10 2k94 n GLY 33 Ca -0.01 0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.91 2.92 1.04 4.61 0.00 0.30 -4.91 121.76 122.82 2k94 s ALA 34 Ca 0.01 -1.50 -0.23 0.00 0.00 0.00 0.00 51.96 50.24 2k94 s ALA 34 Cb -0.00 -4.07 -0.08 0.00 0.00 0.00 0.00 23.12 18.97 2k94 s ALA 34 CO 0.46 -3.01 -0.86 -0.40 0.00 0.00 0.00 175.76 171.95 2k94 n ASP 35 N 8.59 -3.01 0.08 0.00 5.68 -1.26 -3.74 116.55 122.89 2k94 n ASP 35 Ca 0.01 -0.01 0.07 0.00 -0.50 0.00 0.00 54.79 54.35 2k94 n ASP 35 Cb 0.48 -0.71 0.34 0.00 -1.14 0.00 0.00 41.12 40.08 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 1.48 0.32 0.01 -1.12 3.41 -1.26 -0.11 113.62 116.35 2k94 n SER 36 Ca -0.01 0.63 0.11 0.00 -0.26 0.00 0.00 58.87 59.34 2k94 n SER 36 Cb 0.68 -0.68 0.06 0.00 -0.26 0.00 0.00 64.21 64.02 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 -1.90 0.65 -0.07 1.04 4.77 -1.26 -3.21 117.00 117.02 2k94 n LEU 37 Ca 0.00 -0.10 -0.08 0.00 -0.03 0.00 0.00 56.01 55.81 2k94 n LEU 37 Cb 0.07 -0.12 -0.10 0.00 -2.33 0.00 0.00 43.42 40.94 2k94 n LEU 37 CO 0.09 0.10 -0.98 -0.67 -1.33 0.00 0.00 177.39 174.60 2k94 n ASP 38 N -1.75 1.87 -0.02 -1.43 -0.08 0.73 -4.28 116.55 111.60 2k94 n ASP 38 Ca 0.03 -0.02 -0.17 0.00 -1.51 0.00 0.00 54.79 53.12 2k94 n ASP 38 Cb 0.39 0.57 -0.09 0.00 2.34 0.00 0.00 41.12 44.33 2k94 n ASP 38 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 2k94 h THR 39 N 0.00 1.35 0.00 5.18 2.02 -0.60 -3.11 112.91 117.75 2k94 h THR 39 Ca -0.38 -1.91 0.00 0.00 0.77 0.00 0.00 66.41 64.89 2k94 h THR 39 Cb 1.79 2.22 0.00 0.00 -1.74 0.00 0.00 68.15 70.42 2k94 h THR 39 CO 0.00 0.58 0.00 0.52 0.37 0.00 0.00 175.52 176.99 2k94 n VAL 40 N -4.16 0.00 -0.50 3.16 0.31 -1.20 -1.48 118.33 114.46 2k94 n VAL 40 Ca -0.08 1.44 0.43 0.00 -0.01 0.00 0.00 64.34 66.12 2k94 n VAL 40 Cb 0.65 -2.33 0.68 0.00 -0.91 0.00 0.00 33.84 31.93 2k94 n VAL 40 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2k94 h GLU 41 N 0.00 0.00 0.48 5.55 5.08 -1.74 0.76 114.58 124.71 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 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2k94 h GLU 41 CO 0.00 0.00 -0.23 1.25 -1.00 0.00 0.00 179.01 179.03 2k94 h LEU 42 N 0.00 -0.54 -0.35 1.33 6.46 -1.19 -0.22 115.31 120.80 2k94 h LEU 42 Ca 0.75 -0.08 -0.10 0.00 -0.12 0.00 0.00 57.88 58.33 2k94 h LEU 42 Cb 3.38 0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 43.44 2k94 h LEU 42 CO -0.01 -0.17 -0.17 0.58 -0.62 0.00 0.00 178.44 178.06 2k94 h VAL 43 N -0.99 1.29 -0.30 1.05 2.07 0.11 -0.12 116.25 119.37 2k94 h VAL 43 Ca -0.07 -1.28 0.05 0.00 0.82 0.00 0.00 66.70 66.23 2k94 h VAL 43 Cb 0.59 1.37 -0.05 0.00 -1.52 0.00 0.00 31.29 31.68 2k94 h VAL 43 CO 0.11 0.42 -0.03 -0.03 0.02 0.00 0.00 177.57 178.06 2k94 h MET 44 N 0.51 0.05 0.41 1.57 4.05 -0.34 0.59 114.93 121.77 2k94 h MET 44 Ca 0.08 -0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.47 2k94 h MET 44 Cb 0.70 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.50 2k94 h MET 44 CO 0.05 0.03 -0.20 0.00 0.23 0.00 0.00 176.91 177.03 2k94 h ALA 45 N 1.27 -0.81 -1.77 0.39 0.00 -0.97 -2.24 119.26 115.13 2k94 h ALA 45 Ca 0.14 -0.12 0.51 0.00 0.00 0.00 0.00 54.91 55.45 2k94 h ALA 45 Cb 0.20 0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.13 2k94 h ALA 45 CO -0.26 -0.76 1.32 -0.07 0.00 0.00 0.00 179.25 179.47 2k94 h LEU 46 N -0.76 0.00 0.04 0.00 3.38 -0.95 1.16 115.31 118.17 2k94 h LEU 46 Ca -0.06 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 2k94 h LEU 46 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2k94 h LEU 46 CO 0.09 0.00 -0.02 -0.33 0.09 0.00 0.00 178.44 178.27 2k94 h GLU 47 N 0.00 -0.05 -0.70 1.13 5.08 -0.68 -3.30 114.58 116.07 2k94 h GLU 47 Ca 0.84 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 59.31 2k94 h GLU 47 Cb 3.48 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 32.70 2k94 h GLU 47 CO -0.01 -0.03 0.46 1.49 -1.00 0.00 0.00 179.01 179.92 2k94 h GLU 48 N -0.11 0.54 -0.04 2.33 4.81 -0.43 -0.59 114.58 121.11 2k94 h GLU 48 Ca -0.01 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2k94 h GLU 48 Cb 0.04 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.29 2k94 h GLU 48 CO 0.01 0.36 -0.02 -1.91 -0.73 0.00 0.00 179.01 176.72 2k94 n GLU 49 N -4.49 -0.02 -0.74 1.92 4.07 0.38 0.03 120.64 121.80 2k94 n GLU 49 Ca 0.12 0.95 0.02 0.00 -0.06 0.00 0.00 57.16 58.18 2k94 n GLU 49 Cb 0.36 -1.42 0.29 0.00 -0.06 0.00 0.00 31.44 30.61 2k94 n GLU 49 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 2k94 n PHE 50 N -3.01 1.75 -3.15 4.31 -0.00 -1.13 -4.97 117.46 111.25 2k94 n PHE 50 Ca 0.00 -0.71 -0.11 0.00 -0.00 0.00 0.00 57.45 56.63 2k94 n PHE 50 Cb 0.01 -0.48 0.01 0.00 -0.00 0.00 0.00 39.48 39.02 2k94 n PHE 50 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 2k94 n ASP 51 N 0.31 -6.70 -3.92 -2.13 2.03 0.10 -5.02 116.55 101.23 2k94 n ASP 51 Ca 0.25 0.46 -0.09 0.00 0.52 0.00 0.00 54.79 55.93 2k94 n ASP 51 Cb 1.06 -2.67 -0.05 0.00 -0.72 0.00 0.00 41.12 38.74 2k94 n ASP 51 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2k94 s THR 52 N -1.40 0.01 -0.65 5.18 -1.32 -0.48 -4.98 115.64 112.02 2k94 s THR 52 Ca 0.13 -1.21 0.06 0.00 -1.21 0.00 0.00 61.69 59.46 2k94 s THR 52 Cb -0.02 -1.98 0.23 0.00 -1.51 0.00 0.00 72.50 69.22 2k94 s THR 52 CO 0.45 -0.07 0.67 -1.84 -2.21 0.00 0.00 174.62 171.62 2k94 n GLU 53 N -0.36 2.25 -1.40 7.08 0.28 -1.26 -4.46 120.64 122.78 2k94 n GLU 53 Ca -0.05 -4.56 -0.51 0.00 -0.16 0.00 0.00 57.16 51.89 2k94 n GLU 53 Cb 0.62 -2.22 -0.10 0.00 1.43 0.00 0.00 31.44 31.16 2k94 n GLU 53 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 177.13 178.48 2k94 n ILE 54 N 1.19 0.06 -1.40 3.84 0.00 -1.26 -4.89 119.36 116.91 2k94 n ILE 54 Ca 0.27 -0.16 -0.30 0.00 0.00 0.00 0.00 62.75 62.56 2k94 n ILE 54 Cb 0.40 -1.09 0.09 0.00 0.00 0.00 0.00 39.64 39.04 2k94 n ILE 54 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2k94 s PRO 55 N 6.93 2.16 0.26 9.51 0.04 -1.26 -4.81 135.00 147.82 2k94 s PRO 55 Ca 1.18 0.91 -0.04 0.00 0.04 0.00 0.00 61.00 63.09 2k94 s PRO 55 Cb -1.11 -1.91 0.34 0.00 0.04 0.00 0.00 34.50 31.86 2k94 s PRO 55 CO 0.53 -1.64 1.89 0.22 0.04 0.00 0.00 177.00 178.05 2k94 h ASP 56 N -1.11 1.04 -0.26 6.66 1.82 -1.92 0.54 116.42 123.19 2k94 h ASP 56 Ca -0.46 -0.00 0.06 0.00 -0.39 0.00 0.00 57.03 56.24 2k94 h ASP 56 Cb 1.25 -0.23 -0.07 0.00 0.68 0.00 0.00 39.33 40.96 2k94 h ASP 56 CO 0.55 0.70 -0.23 -0.33 -1.61 0.00 0.00 179.24 178.32 2k94 h GLU 57 N 1.20 -0.22 0.00 0.28 5.08 -2.00 0.24 114.58 119.17 2k94 h GLU 57 Ca 0.40 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.77 2k94 h GLU 57 Cb 0.05 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2k94 h GLU 57 CO -0.14 -0.15 0.00 1.49 -1.00 0.00 0.00 179.01 179.22 2k94 h GLU 58 N -0.23 0.00 -3.37 2.33 4.81 -1.74 -3.35 114.58 113.03 2k94 h GLU 58 Ca 0.14 0.00 -0.46 0.00 -0.13 0.00 0.00 59.36 58.92 2k94 h GLU 58 Cb 0.45 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.85 2k94 h GLU 58 CO -0.39 0.00 2.90 0.00 -0.73 0.00 0.00 179.01 180.78 2k94 n ALA 59 N -1.93 5.34 0.00 2.92 0.00 0.85 -3.32 120.51 124.38 2k94 n ALA 59 Ca 0.03 -2.40 0.00 0.00 0.00 0.00 0.00 53.44 51.06 2k94 n ALA 59 Cb 0.34 -3.11 0.00 0.00 0.00 0.00 0.00 19.45 16.68 2k94 n ALA 59 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2k94 n GLU 60 N 4.16 0.00 -1.33 0.00 1.02 -1.26 -4.87 120.64 118.37 2k94 n GLU 60 Ca 0.53 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 57.42 2k94 n GLU 60 Cb 0.16 -0.21 -0.02 0.00 -0.02 0.00 0.00 31.44 31.35 2k94 n GLU 60 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2k94 n LYS 61 N -2.08 2.26 -2.67 3.49 5.02 -1.21 -4.31 118.16 118.65 2k94 n LYS 61 Ca 0.00 -2.22 -0.09 0.00 -2.02 0.00 0.00 58.31 53.97 2k94 n LYS 61 Cb 0.00 -2.01 0.03 0.00 -0.02 0.00 0.00 35.03 33.03 2k94 n LYS 61 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2k94 n ILE 62 N 0.57 0.98 0.14 -0.18 5.41 -1.26 -3.48 119.36 121.54 2k94 n ILE 62 Ca 0.45 -3.10 0.02 0.00 1.00 0.00 0.00 62.75 61.11 2k94 n ILE 62 Cb 0.55 0.63 -0.02 0.00 -0.71 0.00 0.00 39.64 40.09 2k94 n ILE 62 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2k94 n THR 63 N -0.06 0.00 -2.60 1.39 -2.24 -1.26 -4.91 114.28 104.60 2k94 n THR 63 Ca 0.10 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 2k94 n THR 63 Cb 0.82 0.94 0.00 0.00 -2.10 0.00 0.00 70.33 69.99 2k94 n THR 63 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2k94 n THR 64 N -1.13 0.00 0.00 4.28 -2.24 -1.26 0.20 114.28 114.13 2k94 n THR 64 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 2k94 n THR 64 Cb 0.06 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 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 -0.38 2.28 0.31 -1.26 -3.87 118.33 115.40 2k94 n VAL 65 Ca 0.00 0.41 -0.04 0.00 -0.01 0.00 0.00 64.34 64.70 2k94 n VAL 65 Cb 0.00 -1.32 0.00 0.00 -0.91 0.00 0.00 33.84 31.61 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 -0.01 -0.87 5.55 5.75 -1.91 0.24 115.11 123.86 2k94 h GLN 66 Ca 0.00 0.00 0.11 0.00 -0.15 0.00 0.00 58.65 58.61 2k94 h GLN 66 Cb 0.00 0.00 -0.13 0.00 1.07 0.00 0.00 27.48 28.42 2k94 h GLN 66 CO 0.00 -0.01 -0.49 0.00 -2.65 0.00 0.00 178.83 175.69 2k94 h ALA 67 N 1.11 -0.27 -1.01 3.38 0.00 -1.79 1.30 119.26 121.99 2k94 h ALA 67 Ca 0.29 0.16 0.25 0.00 0.00 0.00 0.00 54.91 55.61 2k94 h ALA 67 Cb 0.55 1.15 -0.13 0.00 0.00 0.00 0.00 17.79 19.36 2k94 h ALA 67 CO -0.96 -0.83 0.60 0.00 0.00 0.00 0.00 179.25 178.06 2k94 h ALA 68 N 0.79 1.81 0.31 0.00 0.00 -0.57 0.37 119.26 121.98 2k94 h ALA 68 Ca 0.22 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 2k94 h ALA 68 Cb 0.52 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2k94 h ALA 68 CO -0.88 -0.29 -0.15 0.82 0.00 0.00 0.00 179.25 178.75 2k94 h ILE 69 N 0.56 0.01 -0.55 0.00 2.04 0.18 -2.55 117.51 117.20 2k94 h ILE 69 Ca 0.65 -0.70 0.16 0.00 1.00 0.00 0.00 64.86 65.97 2k94 h ILE 69 Cb 1.26 0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 2k94 h ILE 69 CO -0.48 0.00 0.73 0.44 0.00 0.00 0.00 178.15 178.84 2k94 h ASP 70 N -1.11 0.00 0.18 1.72 5.19 0.13 1.29 116.42 123.81 2k94 h ASP 70 Ca -0.04 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.36 2k94 h ASP 70 Cb 0.32 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.83 2k94 h ASP 70 CO 0.07 0.00 -0.08 0.22 -3.12 0.00 0.00 179.24 176.33 2k94 h TYR 71 N 0.00 -0.22 0.00 4.55 3.20 -0.25 -3.27 116.97 120.98 2k94 h TYR 71 Ca 0.26 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.10 2k94 h TYR 71 Cb 1.72 0.07 -0.00 0.00 1.54 0.00 0.00 36.73 40.06 2k94 h TYR 71 CO 0.00 -0.14 -0.10 0.82 -1.64 0.00 0.00 178.16 177.10 2k94 h ILE 72 N -0.98 0.42 -0.04 1.81 1.08 -0.62 -1.62 117.51 117.55 2k94 h ILE 72 Ca -0.02 -0.54 0.01 0.00 -0.39 0.00 0.00 64.86 63.91 2k94 h ILE 72 Cb 0.18 1.38 -0.02 0.00 -3.07 0.00 0.00 36.82 35.29 2k94 h ILE 72 CO 0.04 0.10 -0.18 -1.13 -0.69 0.00 0.00 178.15 176.29 2k94 h ASN 73 N 0.00 -0.56 0.00 1.72 -0.73 0.15 -3.43 115.58 112.73 2k94 h ASN 73 Ca -0.00 0.07 -0.05 0.00 1.87 0.00 0.00 56.30 58.18 2k94 h ASN 73 Cb 0.37 0.22 -0.05 0.00 0.27 0.00 0.00 38.32 39.13 2k94 h ASN 73 CO 0.01 -0.16 -0.12 0.61 -0.37 0.00 0.00 177.43 177.40 2k94 n GLY 74 N -1.14 0.06 0.02 1.57 0.00 -1.21 -4.95 105.19 99.53 2k94 n GLY 74 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.99 2k94 n GLY 74 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2k94 h HIS 75 N 0.00 -0.04 0.00 1.61 2.76 -1.35 -3.45 115.15 114.69 2k94 h HIS 75 Ca -0.24 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.93 2k94 h HIS 75 Cb 0.87 0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.85 2k94 h HIS 75 CO -0.10 -0.03 0.00 1.04 -1.30 0.00 0.00 177.93 177.54 2k94 n GLN 76 N -2.21 0.00 0.00 5.26 1.13 -1.25 -5.12 117.38 115.20 2k94 n GLN 76 Ca -0.01 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.05 2k94 n GLN 76 Cb 0.02 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.37 2k94 n GLN 76 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62