#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k94 s THR 2 N 0.00 2.80 0.12 6.66 -4.23 -1.26 -5.00 115.64 114.73 2k94 s THR 2 Ca 0.00 -1.37 -0.27 0.00 -1.18 0.00 0.00 61.69 58.87 2k94 s THR 2 Cb 0.00 -3.03 -0.06 0.00 1.34 0.00 0.00 72.50 70.75 2k94 s THR 2 CO 0.00 -0.03 1.62 -0.29 -0.54 0.00 0.00 174.62 175.37 2k94 h ILE 3 N 1.09 0.31 -0.41 2.99 -0.00 -1.96 -2.05 117.51 117.48 2k94 h ILE 3 Ca -0.42 0.00 0.02 0.00 -0.00 0.00 0.00 64.86 64.46 2k94 h ILE 3 Cb 1.26 0.31 -0.03 0.00 -0.00 0.00 0.00 36.82 38.36 2k94 h ILE 3 CO 0.58 0.00 0.22 1.05 -0.00 0.00 0.00 178.15 180.00 2k94 h GLU 4 N -0.47 0.44 -0.87 2.19 4.11 -1.95 -2.58 114.58 115.45 2k94 h GLU 4 Ca 0.06 -0.03 0.08 0.00 0.07 0.00 0.00 59.36 59.54 2k94 h GLU 4 Cb 0.56 -0.10 -0.11 0.00 0.50 0.00 0.00 28.75 29.60 2k94 h GLU 4 CO -0.26 0.29 -0.50 -1.91 0.07 0.00 0.00 179.01 176.71 2k94 n GLU 5 N -4.89 -0.37 -0.10 1.06 4.07 -0.80 0.23 120.64 119.85 2k94 n GLU 5 Ca 0.02 1.31 0.02 0.00 -0.06 0.00 0.00 57.16 58.45 2k94 n GLU 5 Cb 0.08 -1.93 0.33 0.00 -0.06 0.00 0.00 31.44 29.86 2k94 n GLU 5 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2k94 h ARG 6 N 0.00 0.74 -0.20 5.31 3.08 -1.26 -2.27 114.38 119.78 2k94 h ARG 6 Ca 0.15 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.12 2k94 h ARG 6 Cb 0.37 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 2k94 h ARG 6 CO -0.82 0.51 0.01 0.28 -1.07 0.00 0.00 179.97 178.88 2k94 h VAL 7 N 0.76 1.25 -0.74 2.04 2.07 0.32 -2.97 116.25 118.98 2k94 h VAL 7 Ca 0.20 -0.83 0.17 0.00 0.82 0.00 0.00 66.70 67.05 2k94 h VAL 7 Cb -0.05 1.40 -0.12 0.00 -1.52 0.00 0.00 31.29 31.01 2k94 h VAL 7 CO -0.04 0.26 0.13 0.11 0.02 0.00 0.00 177.57 178.05 2k94 h LYS 8 N 0.12 0.21 0.00 1.57 1.79 0.23 0.32 116.57 120.81 2k94 h LYS 8 Ca 0.06 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 2k94 h LYS 8 Cb 0.37 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.97 2k94 h LYS 8 CO 0.01 0.14 0.00 1.17 -1.08 0.00 0.00 179.45 179.69 2k94 n LYS 9 N -5.21 0.00 -0.53 3.15 4.81 -1.09 0.86 118.16 120.15 2k94 n LYS 9 Ca 0.14 0.17 0.44 0.00 -0.87 0.00 0.00 58.31 58.19 2k94 n LYS 9 Cb 0.47 -0.89 0.77 0.00 0.02 0.00 0.00 35.03 35.40 2k94 n LYS 9 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 2k94 h ILE 10 N 0.00 0.17 0.00 3.15 2.04 -1.52 0.38 117.51 121.73 2k94 h ILE 10 Ca 0.00 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.85 2k94 h ILE 10 Cb 0.00 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.23 2k94 h ILE 10 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 178.15 177.77 2k94 n ILE 11 N -4.13 0.00 -0.41 -0.67 2.08 0.11 -1.42 119.36 114.92 2k94 n ILE 11 Ca 0.37 0.63 0.34 0.00 0.56 0.00 0.00 62.75 64.64 2k94 n ILE 11 Cb 1.65 -1.30 0.64 0.00 -0.75 0.00 0.00 39.64 39.89 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 0.88 0.92 7.39 0.00 0.99 0.22 103.07 113.47 2k94 h GLY 12 Ca 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.21 2k94 h GLY 12 CO 0.00 -0.19 -0.24 1.46 0.00 0.00 0.00 176.54 177.56 2k94 h GLN 13 N 0.16 -0.61 -0.92 4.80 7.50 -0.30 0.76 115.11 126.50 2k94 h GLN 13 Ca 0.71 0.04 0.26 0.00 0.50 0.00 0.00 58.65 60.15 2k94 h GLN 13 Cb 2.28 0.14 -0.16 0.00 0.05 0.00 0.00 27.48 29.79 2k94 h GLN 13 CO -0.25 -0.41 0.15 1.96 -1.50 0.00 0.00 178.83 178.78 2k94 h GLN 14 N -0.63 0.10 0.12 1.46 4.20 0.63 -2.29 115.11 118.69 2k94 h GLN 14 Ca -0.05 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 2k94 h GLN 14 Cb 0.51 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.27 2k94 h GLN 14 CO 0.06 0.06 -0.06 1.25 -0.67 0.00 0.00 178.83 179.48 2k94 h LEU 15 N 0.10 -0.14 0.00 1.46 7.12 -1.34 -3.47 115.31 119.04 2k94 h LEU 15 Ca 0.58 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.59 2k94 h LEU 15 Cb 1.20 0.04 0.00 0.00 -0.53 0.00 0.00 40.66 41.37 2k94 h LEU 15 CO -0.77 0.14 0.00 0.61 -0.13 0.00 0.00 178.44 178.29 2k94 n GLY 16 N 1.22 0.07 3.10 3.75 0.00 0.25 -5.12 105.19 108.46 2k94 n GLY 16 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.05 0.02 0.91 1.61 -7.23 -0.08 -5.00 120.40 110.57 2k94 s VAL 17 Ca 0.00 -0.14 -0.13 0.00 -1.81 0.00 0.00 61.98 59.90 2k94 s VAL 17 Cb 0.00 -0.33 0.02 0.00 0.56 0.00 0.00 36.38 36.62 2k94 s VAL 17 CO 0.00 -0.08 0.41 2.29 -0.31 0.00 0.00 175.10 177.42 2k94 n LYS 18 N 2.64 -0.17 0.29 4.82 2.85 -1.26 -3.64 118.16 123.68 2k94 n LYS 18 Ca -0.15 -0.01 0.16 0.00 -1.05 0.00 0.00 58.31 57.26 2k94 n LYS 18 Cb 0.58 -1.84 0.88 0.00 -0.65 0.00 0.00 35.03 34.00 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 -1.33 0.00 -0.24 -1.58 -0.00 -1.89 -1.35 115.11 108.73 2k94 h GLN 19 Ca -0.44 0.00 -0.14 0.00 -0.00 0.00 0.00 58.65 58.07 2k94 h GLN 19 Cb 1.29 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.76 2k94 h GLN 19 CO 0.36 0.05 -0.42 1.49 -0.00 0.00 0.00 178.83 180.30 2k94 h GLU 20 N 0.00 0.57 -0.27 0.06 4.81 -1.94 -3.11 114.58 114.70 2k94 h GLU 20 Ca -0.00 -0.30 -0.01 0.00 -0.13 0.00 0.00 59.36 58.91 2k94 h GLU 20 Cb 0.18 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 2k94 h GLU 20 CO 0.01 0.89 0.12 1.49 -0.73 0.00 0.00 179.01 180.78 2k94 h GLU 21 N 0.47 0.40 -6.06 1.92 4.22 -1.56 -3.41 114.58 110.56 2k94 h GLU 21 Ca 0.04 -0.07 -0.62 0.00 0.08 0.00 0.00 59.36 58.79 2k94 h GLU 21 Cb 0.93 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.12 2k94 h GLU 21 CO 0.08 0.41 1.38 0.28 -2.18 0.00 0.00 179.01 178.99 2k94 n VAL 22 N -4.78 0.36 -2.15 0.32 0.31 -1.17 -4.95 118.33 106.26 2k94 n VAL 22 Ca -0.02 -0.31 -0.22 0.00 -0.01 0.00 0.00 64.34 63.78 2k94 n VAL 22 Cb 0.12 -2.11 0.13 0.00 -0.91 0.00 0.00 33.84 31.07 2k94 n VAL 22 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 2k94 n THR 23 N 6.98 0.00 -0.09 2.52 -1.04 -1.26 -4.99 114.28 116.39 2k94 n THR 23 Ca 0.32 -1.06 -0.15 0.00 -2.04 0.00 0.00 64.05 61.12 2k94 n THR 23 Cb 0.34 -1.29 -0.07 0.00 -1.82 0.00 0.00 70.33 67.49 2k94 n THR 23 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2k94 n ASN 24 N -3.32 1.85 -2.01 8.00 5.03 -1.26 -4.14 115.26 119.41 2k94 n ASN 24 Ca 0.14 0.50 -0.19 0.00 0.87 0.00 0.00 54.58 55.89 2k94 n ASN 24 Cb 0.48 -0.91 0.02 0.00 -1.02 0.00 0.00 39.78 38.36 2k94 n ASN 24 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2k94 n ASN 25 N -4.49 6.54 -0.57 6.41 4.13 -1.26 -3.31 115.26 122.70 2k94 n ASN 25 Ca -0.23 -3.12 0.00 0.00 1.68 0.00 0.00 54.58 52.90 2k94 n ASN 25 Cb 0.53 -1.08 0.00 0.00 -1.54 0.00 0.00 39.78 37.68 2k94 n ASN 25 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2k94 n ALA 26 N 0.37 0.00 -3.06 5.41 0.00 -1.26 -5.08 120.51 116.89 2k94 n ALA 26 Ca 0.35 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.67 2k94 n ALA 26 Cb 0.58 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.96 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 -1.00 -0.20 0.26 0.00 0.15 -1.26 -4.37 113.70 107.28 2k94 s SER 27 Ca 0.00 -0.14 0.21 0.00 0.70 0.00 0.00 55.95 56.72 2k94 s SER 27 Cb 0.00 0.40 0.09 0.00 -1.71 0.00 0.00 66.02 64.80 2k94 s SER 27 CO 0.00 -0.68 1.22 -0.26 1.20 0.00 0.00 173.24 174.72 2k94 h PHE 28 N 2.98 0.00 0.00 3.44 0.04 0.46 -1.71 116.94 122.16 2k94 h PHE 28 Ca -0.32 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.45 2k94 h PHE 28 Cb 1.21 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.36 2k94 h PHE 28 CO 0.41 0.11 -0.46 0.28 -0.60 0.00 0.00 178.31 178.05 2k94 n VAL 29 N -2.87 0.00 -0.77 -0.55 0.31 -1.23 -2.11 118.33 111.11 2k94 n VAL 29 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.23 2k94 n VAL 29 Cb 0.59 -0.50 0.01 0.00 -0.91 0.00 0.00 33.84 33.03 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 -2.24 1.51 0.01 5.55 1.02 -1.26 -3.06 120.64 122.17 2k94 n GLU 30 Ca 0.00 -0.92 0.00 0.00 -0.02 0.00 0.00 57.16 56.22 2k94 n GLU 30 Cb 0.23 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.25 2k94 n GLU 30 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2k94 n ASP 31 N 0.98 -0.19 0.08 1.62 -0.08 -1.26 -4.54 116.55 113.16 2k94 n ASP 31 Ca 0.19 0.17 -0.19 0.00 -1.51 0.00 0.00 54.79 53.45 2k94 n ASP 31 Cb 0.56 0.35 -0.11 0.00 2.34 0.00 0.00 41.12 44.26 2k94 n ASP 31 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 2k94 h LEU 32 N 0.00 0.76 -2.67 -2.67 -0.00 -1.50 -3.48 115.31 105.75 2k94 h LEU 32 Ca 0.00 -0.68 0.00 0.00 -0.00 0.00 0.00 57.88 57.21 2k94 h LEU 32 Cb 0.00 -0.24 -0.03 0.00 -0.00 0.00 0.00 40.66 40.40 2k94 h LEU 32 CO 0.00 1.49 -0.34 0.61 -0.00 0.00 0.00 178.44 180.20 2k94 n GLY 33 N 1.26 -3.47 2.87 0.83 0.00 -1.08 -4.93 105.19 100.67 2k94 n GLY 33 Ca -0.11 0.03 -0.26 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.14 1.15 1.00 4.61 0.00 -0.90 -4.91 121.76 122.57 2k94 s ALA 34 Ca -0.06 -0.43 -0.10 0.00 0.00 0.00 0.00 51.96 51.37 2k94 s ALA 34 Cb 0.00 -0.87 0.16 0.00 0.00 0.00 0.00 23.12 22.42 2k94 s ALA 34 CO 0.15 -0.44 0.37 -0.40 0.00 0.00 0.00 175.76 175.44 2k94 n ASP 35 N 5.00 -2.70 0.00 0.00 5.68 -1.26 -4.39 116.55 118.88 2k94 n ASP 35 Ca -0.11 -0.37 0.13 0.00 -0.50 0.00 0.00 54.79 53.94 2k94 n ASP 35 Cb 0.50 -0.51 0.77 0.00 -1.14 0.00 0.00 41.12 40.75 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 -2.83 0.00 -0.09 -1.12 3.41 -1.26 -1.82 113.62 109.92 2k94 n SER 36 Ca 0.06 -0.89 -0.09 0.00 -0.26 0.00 0.00 58.87 57.69 2k94 n SER 36 Cb 0.25 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.06 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 -0.98 0.00 0.03 1.04 4.77 -1.26 -3.88 117.00 116.72 2k94 n LEU 37 Ca 0.20 -0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 56.13 2k94 n LEU 37 Cb 0.09 0.44 -0.10 0.00 -2.33 0.00 0.00 43.42 41.52 2k94 n LEU 37 CO 0.15 0.44 -0.24 -0.78 -1.33 0.00 0.00 177.39 175.63 2k94 h ASP 38 N 0.00 0.00 0.08 -1.43 1.82 -1.81 -3.28 116.42 111.80 2k94 h ASP 38 Ca -0.48 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.16 2k94 h ASP 38 Cb 2.09 0.00 0.00 0.00 0.68 0.00 0.00 39.33 42.10 2k94 h ASP 38 CO 0.03 0.80 -0.04 0.74 -1.61 0.00 0.00 179.24 179.16 2k94 h THR 39 N 0.00 1.20 0.03 2.25 2.02 -1.56 -2.91 112.91 113.94 2k94 h THR 39 Ca -0.17 -1.25 0.00 0.00 0.77 0.00 0.00 66.41 65.76 2k94 h THR 39 Cb 1.76 1.98 -0.01 0.00 -1.74 0.00 0.00 68.15 70.14 2k94 h THR 39 CO 0.07 0.30 -0.15 0.58 0.37 0.00 0.00 175.52 176.69 2k94 h VAL 40 N -0.70 0.00 -0.73 3.16 2.07 -1.72 0.21 116.25 118.53 2k94 h VAL 40 Ca -0.01 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.72 2k94 h VAL 40 Cb 0.56 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 2k94 h VAL 40 CO 0.02 0.00 0.90 -0.33 0.02 0.00 0.00 177.57 178.17 2k94 h GLU 41 N -0.21 0.00 0.61 1.57 5.08 -1.69 0.19 114.58 120.13 2k94 h GLU 41 Ca -0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 2k94 h GLU 41 Cb 0.22 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.47 2k94 h GLU 41 CO -0.09 0.00 -0.29 1.25 -1.00 0.00 0.00 179.01 178.88 2k94 h LEU 42 N 0.00 -0.70 0.27 1.33 7.12 -0.38 -2.05 115.31 120.90 2k94 h LEU 42 Ca 0.35 0.02 -0.01 0.00 0.13 0.00 0.00 57.88 58.37 2k94 h LEU 42 Cb 2.14 0.18 0.00 0.00 -0.53 0.00 0.00 40.66 42.45 2k94 h LEU 42 CO -0.00 -0.40 -0.13 0.58 -0.13 0.00 0.00 178.44 178.36 2k94 h VAL 43 N -1.01 0.75 -0.99 1.05 2.07 -0.34 -2.30 116.25 115.48 2k94 h VAL 43 Ca -0.08 -0.67 0.33 0.00 0.82 0.00 0.00 66.70 67.10 2k94 h VAL 43 Cb 0.63 1.10 -0.18 0.00 -1.52 0.00 0.00 31.29 31.32 2k94 h VAL 43 CO 0.14 0.13 0.25 -0.03 0.02 0.00 0.00 177.57 178.08 2k94 h MET 44 N -0.74 0.02 0.61 1.57 4.05 -0.87 0.17 114.93 119.75 2k94 h MET 44 Ca -0.04 -0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.35 2k94 h MET 44 Cb 0.49 -0.00 0.01 0.00 -0.80 0.00 0.00 31.60 31.30 2k94 h MET 44 CO 0.06 0.01 -0.29 0.00 0.23 0.00 0.00 176.91 176.92 2k94 h ALA 45 N 1.98 -0.87 -0.97 0.39 0.00 -1.27 -3.12 119.26 115.40 2k94 h ALA 45 Ca 0.70 -0.18 0.30 0.00 0.00 0.00 0.00 54.91 55.74 2k94 h ALA 45 Cb 1.65 0.32 -0.17 0.00 0.00 0.00 0.00 17.79 19.58 2k94 h ALA 45 CO -0.85 -0.81 0.22 -0.07 0.00 0.00 0.00 179.25 177.74 2k94 h LEU 46 N -1.15 -0.14 -0.79 0.00 4.07 -0.24 1.39 115.31 118.45 2k94 h LEU 46 Ca -0.08 0.25 0.17 0.00 0.08 0.00 0.00 57.88 58.30 2k94 h LEU 46 Cb 0.63 0.37 -0.11 0.00 1.08 0.00 0.00 40.66 42.64 2k94 h LEU 46 CO 0.14 -0.33 0.30 -0.33 -1.08 0.00 0.00 178.44 177.15 2k94 h GLU 47 N 0.06 0.40 0.09 1.13 5.08 -0.73 -1.01 114.58 119.60 2k94 h GLU 47 Ca 0.66 -0.02 -0.30 0.00 -1.00 0.00 0.00 59.36 58.70 2k94 h GLU 47 Cb 1.48 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.63 2k94 h GLU 47 CO -0.82 0.26 -1.53 1.49 -1.00 0.00 0.00 179.01 177.42 2k94 h GLU 48 N 0.41 0.19 -0.95 2.33 4.22 0.14 1.55 114.58 122.47 2k94 h GLU 48 Ca 0.45 -0.33 0.26 0.00 0.08 0.00 0.00 59.36 59.82 2k94 h GLU 48 Cb 0.75 0.12 -0.17 0.00 0.50 0.00 0.00 28.75 29.95 2k94 h GLU 48 CO -0.46 1.03 0.06 1.49 -2.18 0.00 0.00 179.01 178.95 2k94 h GLU 49 N 0.05 0.04 -0.05 1.92 4.57 0.20 0.32 114.58 121.64 2k94 h GLU 49 Ca -0.23 -0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 57.92 2k94 h GLU 49 Cb 1.99 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 30.56 2k94 h GLU 49 CO 0.14 0.02 -0.24 1.19 -1.18 0.00 0.00 179.01 178.95 2k94 n PHE 50 N -5.44 0.17 -3.71 0.92 3.01 -0.96 -5.01 117.46 106.44 2k94 n PHE 50 Ca 0.22 -1.28 -0.25 0.00 1.01 0.00 0.00 57.45 57.15 2k94 n PHE 50 Cb 0.74 -0.24 0.00 0.00 -0.01 0.00 0.00 39.48 39.97 2k94 n PHE 50 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2k94 n ASP 51 N -1.20 -4.64 -3.75 4.37 2.03 0.11 -4.97 116.55 108.50 2k94 n ASP 51 Ca 0.19 -0.86 -0.13 0.00 0.52 0.00 0.00 54.79 54.52 2k94 n ASP 51 Cb 0.72 -1.52 -0.11 0.00 -0.72 0.00 0.00 41.12 39.49 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 -2.78 -0.00 -1.03 5.18 -1.32 0.52 -4.98 115.64 111.23 2k94 s THR 52 Ca 0.04 0.01 -0.16 0.00 -1.21 0.00 0.00 61.69 60.37 2k94 s THR 52 Cb -0.00 -0.48 0.16 0.00 -1.51 0.00 0.00 72.50 70.66 2k94 s THR 52 CO 0.86 0.00 1.22 -1.61 -2.21 0.00 0.00 174.62 172.88 2k94 s GLU 53 N 0.28 3.80 -0.25 7.08 2.02 -1.26 -4.34 118.70 126.03 2k94 s GLU 53 Ca -0.01 -2.15 -0.35 0.00 0.02 0.00 0.00 54.97 52.48 2k94 s GLU 53 Cb -0.03 -4.93 -0.11 0.00 0.10 0.00 0.00 34.13 29.16 2k94 s GLU 53 CO -0.01 -1.73 2.06 1.51 0.02 0.00 0.00 175.26 177.11 2k94 n ILE 54 N 4.99 0.33 -1.40 -1.63 0.00 -1.26 -4.93 119.36 115.47 2k94 n ILE 54 Ca 0.28 -0.22 -0.30 0.00 0.00 0.00 0.00 62.75 62.51 2k94 n ILE 54 Cb 0.46 -1.77 0.09 0.00 0.00 0.00 0.00 39.64 38.42 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 5.34 2.14 0.19 9.51 0.04 -1.26 -4.88 135.00 146.07 2k94 s PRO 55 Ca 1.03 0.89 -0.12 0.00 0.04 0.00 0.00 61.00 62.84 2k94 s PRO 55 Cb -0.77 -1.90 0.19 0.00 0.04 0.00 0.00 34.50 32.05 2k94 s PRO 55 CO 0.50 -1.65 1.73 0.38 0.04 0.00 0.00 177.00 178.01 2k94 h ASP 56 N -1.12 0.11 -0.01 6.66 3.04 -1.95 -2.05 116.42 121.09 2k94 h ASP 56 Ca -0.46 0.07 0.03 0.00 -3.24 0.00 0.00 57.03 53.44 2k94 h ASP 56 Cb 1.25 0.08 -0.05 0.00 -1.04 0.00 0.00 39.33 39.56 2k94 h ASP 56 CO 0.55 0.09 -0.38 -0.33 -2.04 0.00 0.00 179.24 177.13 2k94 h GLU 57 N 0.31 -0.51 0.00 4.15 5.08 -2.01 0.44 114.58 122.04 2k94 h GLU 57 Ca 0.25 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 2k94 h GLU 57 Cb 0.30 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2k94 h GLU 57 CO -0.29 -0.34 0.25 1.49 -1.00 0.00 0.00 179.01 179.13 2k94 h GLU 58 N -0.53 0.00 -2.85 2.33 4.22 -1.78 -3.09 114.58 112.88 2k94 h GLU 58 Ca 0.06 0.00 -0.44 0.00 0.08 0.00 0.00 59.36 59.05 2k94 h GLU 58 Cb 0.62 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 2k94 h GLU 58 CO -0.31 0.00 2.31 0.00 -2.18 0.00 0.00 179.01 178.84 2k94 n ALA 59 N -1.86 6.25 0.00 2.92 0.00 0.15 -3.45 120.51 124.53 2k94 n ALA 59 Ca -0.02 -2.55 0.00 0.00 0.00 0.00 0.00 53.44 50.87 2k94 n ALA 59 Cb 0.29 -2.96 0.00 0.00 0.00 0.00 0.00 19.45 16.78 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 3.43 0.00 -2.10 0.00 1.02 -1.17 -4.87 120.64 116.95 2k94 n GLU 60 Ca 0.58 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 57.31 2k94 n GLU 60 Cb 0.37 -0.36 0.03 0.00 -0.02 0.00 0.00 31.44 31.47 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 -2.16 3.41 -2.28 3.49 4.01 -1.22 -4.38 118.16 119.03 2k94 n LYS 61 Ca 0.00 -3.81 0.00 0.00 -0.51 0.00 0.00 58.31 53.99 2k94 n LYS 61 Cb 0.11 -2.32 0.04 0.00 -0.51 0.00 0.00 35.03 32.35 2k94 n LYS 61 CO 0.00 0.00 0.00 -0.89 -1.11 0.00 0.00 177.40 175.40 2k94 n ILE 62 N -0.42 0.64 0.81 -0.18 5.41 -1.26 -3.08 119.36 121.27 2k94 n ILE 62 Ca 0.52 -1.89 0.09 0.00 1.00 0.00 0.00 62.75 62.47 2k94 n ILE 62 Cb 0.24 1.12 -0.11 0.00 -0.71 0.00 0.00 39.64 40.18 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 -0.34 0.00 -4.13 1.39 5.66 -1.26 -4.86 114.28 110.75 2k94 n THR 63 Ca 0.01 -0.09 -0.08 0.00 -3.05 0.00 0.00 64.05 60.85 2k94 n THR 63 Cb 0.91 0.90 -0.03 0.00 -1.55 0.00 0.00 70.33 70.56 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 -1.53 0.00 0.00 1.09 -2.24 -1.26 0.31 114.28 110.65 2k94 n THR 64 Ca 0.03 -0.85 0.00 0.00 -2.27 0.00 0.00 64.05 60.96 2k94 n THR 64 Cb 0.32 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.93 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 -0.26 0.00 -0.30 2.28 0.31 -1.26 -2.94 118.33 116.16 2k94 n VAL 65 Ca 0.01 0.66 0.13 0.00 -0.01 0.00 0.00 64.34 65.13 2k94 n VAL 65 Cb 0.21 -1.34 0.25 0.00 -0.91 0.00 0.00 33.84 32.06 2k94 n VAL 65 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2k94 n GLN 66 N -0.47 -0.07 -0.34 5.55 7.27 -1.21 0.90 117.38 129.02 2k94 n GLN 66 Ca 0.00 1.30 -0.01 0.00 0.07 0.00 0.00 57.00 58.35 2k94 n GLN 66 Cb 0.00 -2.06 0.04 0.00 2.41 0.00 0.00 30.24 30.63 2k94 n GLN 66 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2k94 h ALA 67 N 1.73 0.15 0.47 1.69 0.00 -1.78 0.42 119.26 121.95 2k94 h ALA 67 Ca 0.52 0.26 -0.02 0.00 0.00 0.00 0.00 54.91 55.67 2k94 h ALA 67 Cb 1.08 0.94 0.00 0.00 0.00 0.00 0.00 17.79 19.81 2k94 h ALA 67 CO -0.82 -0.61 -0.22 0.00 0.00 0.00 0.00 179.25 177.59 2k94 h ALA 68 N 1.34 -0.63 -1.12 0.00 0.00 0.64 -1.95 119.26 117.54 2k94 h ALA 68 Ca 0.33 -0.16 0.34 0.00 0.00 0.00 0.00 54.91 55.41 2k94 h ALA 68 Cb 0.59 0.24 -0.12 0.00 0.00 0.00 0.00 17.79 18.50 2k94 h ALA 68 CO -0.92 -0.80 0.69 0.82 0.00 0.00 0.00 179.25 179.04 2k94 h ILE 69 N -0.73 0.33 -0.33 0.00 2.04 -0.53 0.88 117.51 119.15 2k94 h ILE 69 Ca -0.06 -0.10 -0.10 0.00 1.00 0.00 0.00 64.86 65.60 2k94 h ILE 69 Cb 0.53 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 2k94 h ILE 69 CO 0.11 0.05 -0.16 -0.78 0.00 0.00 0.00 178.15 177.36 2k94 h ASP 70 N 0.28 0.72 -0.49 1.72 -0.00 0.19 0.52 116.42 119.36 2k94 h ASP 70 Ca 0.71 -0.41 -0.07 0.00 -0.00 0.00 0.00 57.03 57.27 2k94 h ASP 70 Cb 1.89 -0.20 -0.02 0.00 -0.00 0.00 0.00 39.33 41.00 2k94 h ASP 70 CO -0.44 0.97 0.05 0.22 -0.00 0.00 0.00 179.24 180.04 2k94 h TYR 71 N 0.47 0.89 0.00 0.28 3.20 0.13 -2.23 116.97 119.72 2k94 h TYR 71 Ca 0.07 -0.14 0.00 0.00 3.14 0.00 0.00 58.73 61.81 2k94 h TYR 71 Cb 0.70 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.73 2k94 h TYR 71 CO 0.06 0.83 0.00 0.82 -1.64 0.00 0.00 178.16 178.23 2k94 h ILE 72 N 0.70 0.00 0.00 1.81 1.08 -0.30 -0.45 117.51 120.34 2k94 h ILE 72 Ca 0.14 -0.56 0.00 0.00 -0.39 0.00 0.00 64.86 64.05 2k94 h ILE 72 Cb 0.45 1.52 0.00 0.00 -3.07 0.00 0.00 36.82 35.72 2k94 h ILE 72 CO 0.02 0.00 0.00 -3.20 -0.69 0.00 0.00 178.15 174.28 2k94 n ASN 73 N -2.51 0.00 0.00 1.72 2.85 0.18 -4.70 115.26 112.80 2k94 n ASN 73 Ca 0.04 0.81 0.00 0.00 -0.11 0.00 0.00 54.58 55.32 2k94 n ASN 73 Cb 0.41 -0.50 0.00 0.00 1.24 0.00 0.00 39.78 40.93 2k94 n ASN 73 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2k94 n GLY 74 N 0.17 -2.18 1.88 8.20 0.00 -1.07 -5.08 105.19 107.11 2k94 n GLY 74 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2k94 n GLY 74 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2k94 n HIS 75 N -0.02 -4.80 -1.15 1.61 1.44 -0.18 -4.56 115.22 107.56 2k94 n HIS 75 Ca 0.00 2.57 -0.53 0.00 -2.01 0.00 0.00 57.72 57.75 2k94 n HIS 75 Cb 0.45 -3.67 -0.11 0.00 0.12 0.00 0.00 29.99 26.78 2k94 n HIS 75 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 2k94 n GLN 76 N 0.77 0.00 0.00 -1.40 1.13 -1.26 -4.98 117.38 111.64 2k94 n GLN 76 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 2k94 n GLN 76 Cb 0.00 -1.36 0.00 0.00 0.11 0.00 0.00 30.24 28.99 2k94 n GLN 76 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62