#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 0.74 -0.14 2.46 -2.24 -1.26 -4.72 114.28 109.12 2k94 n THR 2 Ca 0.00 -0.50 -0.08 0.00 -2.27 0.00 0.00 64.05 61.20 2k94 n THR 2 Cb 0.00 -0.04 -0.02 0.00 -2.10 0.00 0.00 70.33 68.17 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 0.35 0.18 -0.97 2.28 -0.00 -1.92 0.30 117.51 117.74 2k94 h ILE 3 Ca -0.37 0.00 0.14 0.00 -0.00 0.00 0.00 64.86 64.63 2k94 h ILE 3 Cb 1.44 0.18 -0.09 0.00 -0.00 0.00 0.00 36.82 38.36 2k94 h ILE 3 CO 0.47 0.00 0.61 1.05 -0.00 0.00 0.00 178.15 180.29 2k94 h GLU 4 N -0.26 0.84 -0.87 2.19 4.11 -1.88 -1.05 114.58 117.67 2k94 h GLU 4 Ca 0.17 -0.05 0.35 0.00 0.07 0.00 0.00 59.36 59.90 2k94 h GLU 4 Cb 0.56 -0.19 -0.16 0.00 0.50 0.00 0.00 28.75 29.46 2k94 h GLU 4 CO -0.58 0.55 0.42 -1.91 0.07 0.00 0.00 179.01 177.57 2k94 n GLU 5 N -4.63 -0.05 0.10 1.06 4.07 0.11 0.18 120.64 121.48 2k94 n GLU 5 Ca 0.19 1.21 -0.24 0.00 -0.06 0.00 0.00 57.16 58.27 2k94 n GLU 5 Cb 0.43 -2.15 -0.15 0.00 -0.06 0.00 0.00 31.44 29.52 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 0.45 -0.40 5.31 3.08 -1.22 -3.28 114.38 118.33 2k94 h ARG 6 Ca 0.72 -0.77 0.01 0.00 0.07 0.00 0.00 59.98 60.01 2k94 h ARG 6 Cb 1.87 0.29 -0.02 0.00 0.08 0.00 0.00 29.97 32.18 2k94 h ARG 6 CO -0.68 1.37 0.25 0.28 -1.07 0.00 0.00 179.97 180.11 2k94 h VAL 7 N 0.08 1.07 -0.21 2.04 2.07 0.21 -2.76 116.25 118.75 2k94 h VAL 7 Ca -0.30 -0.17 0.06 0.00 0.82 0.00 0.00 66.70 67.11 2k94 h VAL 7 Cb 2.09 0.52 -0.07 0.00 -1.52 0.00 0.00 31.29 32.31 2k94 h VAL 7 CO 0.21 0.09 -0.31 0.11 0.02 0.00 0.00 177.57 177.70 2k94 h LYS 8 N 0.50 -0.33 0.00 1.57 1.79 1.00 0.32 116.57 121.42 2k94 h LYS 8 Ca 0.15 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.65 2k94 h LYS 8 Cb -0.02 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.70 2k94 h LYS 8 CO -0.06 -0.22 0.00 1.17 -1.08 0.00 0.00 179.45 179.26 2k94 n LYS 9 N -5.40 0.00 -0.22 3.15 4.81 -1.05 -0.08 118.16 119.36 2k94 n LYS 9 Ca -0.02 0.50 -0.01 0.00 -0.87 0.00 0.00 58.31 57.91 2k94 n LYS 9 Cb 0.32 -1.02 0.06 0.00 0.02 0.00 0.00 35.03 34.42 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 0.29 0.00 3.15 2.04 -1.51 0.35 117.51 121.83 2k94 h ILE 10 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 2k94 h ILE 10 Cb 0.00 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.37 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 -5.45 0.00 -0.25 -0.67 2.08 0.11 0.15 119.36 115.33 2k94 n ILE 11 Ca 0.08 1.00 0.06 0.00 0.56 0.00 0.00 62.75 64.44 2k94 n ILE 11 Cb 0.35 -1.55 0.18 0.00 -0.75 0.00 0.00 39.64 37.87 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 0.99 -0.06 7.39 0.00 -0.25 -1.86 103.07 109.27 2k94 h GLY 12 Ca 0.00 -0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.35 2k94 h GLY 12 CO 0.00 -0.23 -0.37 1.46 0.00 0.00 0.00 176.54 177.40 2k94 h GLN 13 N 0.22 -0.40 -1.96 4.80 7.50 0.68 1.15 115.11 127.10 2k94 h GLN 13 Ca 0.42 0.03 0.57 0.00 0.50 0.00 0.00 58.65 60.17 2k94 h GLN 13 Cb 0.73 0.09 -0.08 0.00 0.05 0.00 0.00 27.48 28.27 2k94 h GLN 13 CO -0.55 -0.27 1.41 1.96 -1.50 0.00 0.00 178.83 179.88 2k94 h GLN 14 N -0.42 0.00 0.00 1.46 4.20 0.23 -1.34 115.11 119.24 2k94 h GLN 14 Ca 0.02 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 2k94 h GLN 14 Cb 0.47 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.25 2k94 h GLN 14 CO -0.28 0.00 -0.16 1.25 -0.67 0.00 0.00 178.83 178.97 2k94 h LEU 15 N 0.00 0.00 0.00 1.46 7.12 -0.21 -3.45 115.31 120.23 2k94 h LEU 15 Ca 0.94 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.95 2k94 h LEU 15 Cb 3.75 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 43.88 2k94 h LEU 15 CO -0.02 0.26 0.00 0.61 -0.13 0.00 0.00 178.44 179.16 2k94 n GLY 16 N 1.72 0.00 3.18 3.75 0.00 0.36 -5.11 105.19 109.08 2k94 n GLY 16 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 0.12 0.76 1.61 -7.23 -1.03 -5.00 120.40 109.63 2k94 s VAL 17 Ca 0.00 -0.99 -0.14 0.00 -1.81 0.00 0.00 61.98 59.05 2k94 s VAL 17 Cb 0.00 -1.01 0.05 0.00 0.56 0.00 0.00 36.38 35.99 2k94 s VAL 17 CO 0.00 -0.54 1.17 -1.59 -0.31 0.00 0.00 175.10 173.83 2k94 s LYS 18 N -2.85 2.03 0.44 4.82 -2.85 -1.26 -3.60 119.74 116.47 2k94 s LYS 18 Ca -0.03 1.63 0.31 0.00 -1.00 0.00 0.00 55.97 56.87 2k94 s LYS 18 Cb 0.00 -1.83 1.42 0.00 -2.06 0.00 0.00 37.83 35.36 2k94 s LYS 18 CO -0.05 -1.89 1.92 -0.56 0.10 0.00 0.00 175.35 174.86 2k94 h GLN 19 N -0.61 0.00 0.00 1.78 -0.00 -1.87 -0.96 115.11 113.45 2k94 h GLN 19 Ca -0.46 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.17 2k94 h GLN 19 Cb 1.28 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.76 2k94 h GLN 19 CO 0.49 0.00 -0.08 0.93 -0.00 0.00 0.00 178.83 180.17 2k94 h GLU 20 N 0.00 0.00 0.08 0.06 5.08 -1.95 -3.21 114.58 114.64 2k94 h GLU 20 Ca 0.00 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.11 2k94 h GLU 20 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2k94 h GLU 20 CO 0.00 0.07 -1.12 1.49 -1.00 0.00 0.00 179.01 178.44 2k94 h GLU 21 N 0.00 0.27 -6.21 2.33 4.22 -1.52 -3.43 114.58 110.24 2k94 h GLU 21 Ca -0.00 -0.40 -0.57 0.00 0.08 0.00 0.00 59.36 58.47 2k94 h GLU 21 Cb 1.05 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 2k94 h GLU 21 CO 0.01 1.15 1.27 0.08 -2.18 0.00 0.00 179.01 179.34 2k94 s VAL 22 N -2.85 3.35 0.77 0.32 1.01 -1.19 -4.98 120.40 116.84 2k94 s VAL 22 Ca -0.04 0.39 -0.03 0.00 0.00 0.00 0.00 61.98 62.30 2k94 s VAL 22 Cb 0.08 -3.38 0.16 0.00 0.00 0.00 0.00 36.38 33.24 2k94 s VAL 22 CO 0.87 -0.18 1.06 0.35 0.00 0.00 0.00 175.10 177.20 2k94 n THR 23 N 6.76 0.00 0.57 3.92 -2.24 -1.26 -4.95 114.28 117.07 2k94 n THR 23 Ca 0.23 -1.49 0.11 0.00 -2.27 0.00 0.00 64.05 60.62 2k94 n THR 23 Cb 0.45 -0.99 -0.03 0.00 -2.10 0.00 0.00 70.33 67.66 2k94 n THR 23 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2k94 n ASN 24 N -3.05 0.59 -3.63 3.42 4.13 -1.26 -3.37 115.26 112.09 2k94 n ASN 24 Ca 0.17 -0.33 -0.27 0.00 1.68 0.00 0.00 54.58 55.83 2k94 n ASN 24 Cb 0.59 1.00 -0.11 0.00 -1.54 0.00 0.00 39.78 39.73 2k94 n ASN 24 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2k94 n ASN 25 N -1.92 1.36 -1.27 6.41 4.13 -1.26 -4.34 115.26 118.38 2k94 n ASN 25 Ca 0.01 -2.82 -0.02 0.00 1.68 0.00 0.00 54.58 53.43 2k94 n ASN 25 Cb 0.44 -0.66 -0.01 0.00 -1.54 0.00 0.00 39.78 38.01 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 2.31 0.03 -3.66 5.41 0.00 -1.26 -5.11 120.51 118.22 2k94 n ALA 26 Ca 0.25 -0.22 -0.17 0.00 0.00 0.00 0.00 53.44 53.30 2k94 n ALA 26 Cb 0.42 0.18 -0.15 0.00 0.00 0.00 0.00 19.45 19.90 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 -1.28 0.75 -0.01 0.00 0.15 -1.26 -4.67 113.70 107.38 2k94 s SER 27 Ca 0.04 0.33 0.04 0.00 0.70 0.00 0.00 55.95 57.06 2k94 s SER 27 Cb 0.00 0.34 0.12 0.00 -1.71 0.00 0.00 66.02 64.77 2k94 s SER 27 CO 0.03 -0.25 1.05 0.49 1.20 0.00 0.00 173.24 175.76 2k94 n PHE 28 N 5.33 0.20 -0.12 3.44 3.01 0.37 -1.62 117.46 128.07 2k94 n PHE 28 Ca -0.05 -0.09 -0.23 0.00 1.01 0.00 0.00 57.45 58.09 2k94 n PHE 28 Cb 0.50 -0.02 -0.08 0.00 -0.01 0.00 0.00 39.48 39.87 2k94 n PHE 28 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 2k94 n VAL 29 N -0.08 1.49 -0.04 -4.37 0.31 -1.23 -2.23 118.33 112.18 2k94 n VAL 29 Ca 0.05 -0.22 -0.07 0.00 -0.01 0.00 0.00 64.34 64.08 2k94 n VAL 29 Cb 0.15 -2.01 -0.02 0.00 -0.91 0.00 0.00 33.84 31.05 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 -4.28 0.29 -0.03 5.55 4.71 -1.25 -3.14 120.64 122.49 2k94 n GLU 30 Ca -0.42 0.12 -0.01 0.00 -0.01 0.00 0.00 57.16 56.84 2k94 n GLU 30 Cb 0.77 -1.00 -0.01 0.00 -1.01 0.00 0.00 31.44 30.20 2k94 n GLU 30 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 2k94 n ASP 31 N -3.93 -0.07 0.10 1.62 2.03 -0.91 -0.73 116.55 114.67 2k94 n ASP 31 Ca -0.12 0.88 -0.02 0.00 0.52 0.00 0.00 54.79 56.05 2k94 n ASP 31 Cb 0.37 -0.40 -0.00 0.00 -0.72 0.00 0.00 41.12 40.37 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 -2.75 -2.67 -0.00 -1.59 -3.49 115.31 104.81 2k94 h LEU 32 Ca 0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.86 2k94 h LEU 32 Cb 0.03 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 40.71 2k94 h LEU 32 CO -0.06 0.75 -0.10 0.61 -0.00 0.00 0.00 178.44 179.64 2k94 n GLY 33 N 1.09 -0.46 3.37 0.83 0.00 0.10 -5.00 105.19 105.11 2k94 n GLY 33 Ca 0.00 0.08 -0.45 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.05 3.57 1.01 4.61 0.00 -0.95 -4.98 121.76 121.98 2k94 s ALA 34 Ca 0.06 -2.19 -0.13 0.00 0.00 0.00 0.00 51.96 49.69 2k94 s ALA 34 Cb -0.01 -3.10 0.18 0.00 0.00 0.00 0.00 23.12 20.20 2k94 s ALA 34 CO 0.31 -1.78 0.37 -0.40 0.00 0.00 0.00 175.76 174.25 2k94 n ASP 35 N 5.20 -3.06 0.00 0.00 5.68 -1.26 -3.69 116.55 119.42 2k94 n ASP 35 Ca -0.13 -0.41 0.08 0.00 -0.50 0.00 0.00 54.79 53.83 2k94 n ASP 35 Cb 0.43 -0.77 0.38 0.00 -1.14 0.00 0.00 41.12 40.02 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 -1.41 0.00 0.04 -1.12 3.41 -1.26 -0.31 113.62 112.98 2k94 n SER 36 Ca 0.06 0.13 0.09 0.00 -0.26 0.00 0.00 58.87 58.89 2k94 n SER 36 Cb 0.34 -0.32 -0.09 0.00 -0.26 0.00 0.00 64.21 63.89 2k94 n SER 36 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2k94 n LEU 37 N -1.32 0.46 -0.12 1.04 7.94 -1.26 -3.88 117.00 119.86 2k94 n LEU 37 Ca 0.07 0.18 -0.25 0.00 -1.11 0.00 0.00 56.01 54.90 2k94 n LEU 37 Cb 0.13 0.01 -0.09 0.00 0.53 0.00 0.00 43.42 44.00 2k94 n LEU 37 CO 0.12 -0.03 -1.35 -0.67 -1.11 0.00 0.00 177.39 174.35 2k94 n ASP 38 N -2.54 1.81 -0.35 1.96 -0.08 -0.68 -3.84 116.55 112.84 2k94 n ASP 38 Ca -0.05 0.25 0.14 0.00 -1.51 0.00 0.00 54.79 53.62 2k94 n ASP 38 Cb 0.63 -0.68 0.33 0.00 2.34 0.00 0.00 41.12 43.73 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 -0.78 0.66 0.00 5.18 2.02 -0.74 0.19 112.91 119.45 2k94 h THR 39 Ca -0.62 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.32 2k94 h THR 39 Cb 1.59 -0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.89 2k94 h THR 39 CO -0.34 0.13 0.00 0.52 0.37 0.00 0.00 175.52 176.19 2k94 n VAL 40 N -4.81 0.00 -0.64 3.16 0.31 -1.25 -3.20 118.33 111.90 2k94 n VAL 40 Ca 0.24 0.88 0.49 0.00 -0.01 0.00 0.00 64.34 65.94 2k94 n VAL 40 Cb 0.61 -1.74 0.76 0.00 -0.91 0.00 0.00 33.84 32.56 2k94 n VAL 40 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2k94 n GLU 41 N -1.58 0.00 -0.08 5.55 1.02 -1.13 0.15 120.64 124.57 2k94 n GLU 41 Ca 0.00 1.04 -0.07 0.00 -0.02 0.00 0.00 57.16 58.11 2k94 n GLU 41 Cb 0.00 -2.41 -0.00 0.00 -0.02 0.00 0.00 31.44 29.01 2k94 n GLU 41 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2k94 h LEU 42 N 0.00 -0.11 -0.00 -4.62 7.12 -0.59 0.67 115.31 117.79 2k94 h LEU 42 Ca 0.87 0.06 -0.04 0.00 0.13 0.00 0.00 57.88 58.91 2k94 h LEU 42 Cb 3.57 0.11 0.00 0.00 -0.53 0.00 0.00 40.66 43.82 2k94 h LEU 42 CO -0.01 -0.02 -0.14 0.58 -0.13 0.00 0.00 178.44 178.72 2k94 h VAL 43 N 0.09 1.58 -0.77 1.05 2.07 0.13 -3.05 116.25 117.35 2k94 h VAL 43 Ca 0.14 -1.88 0.16 0.00 0.82 0.00 0.00 66.70 65.94 2k94 h VAL 43 Cb 0.18 2.80 -0.14 0.00 -1.52 0.00 0.00 31.29 32.61 2k94 h VAL 43 CO -0.23 0.50 -0.16 -0.03 0.02 0.00 0.00 177.57 177.67 2k94 h MET 44 N -0.62 0.01 -0.59 1.57 4.05 -1.20 0.50 114.93 118.66 2k94 h MET 44 Ca -0.02 -0.00 0.02 0.00 -0.28 0.00 0.00 59.70 59.42 2k94 h MET 44 Cb 0.90 -0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.66 2k94 h MET 44 CO 0.03 0.01 0.37 0.00 0.23 0.00 0.00 176.91 177.55 2k94 h ALA 45 N 1.76 0.76 0.58 0.39 0.00 -0.94 -2.66 119.26 119.17 2k94 h ALA 45 Ca 0.38 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 2k94 h ALA 45 Cb 0.60 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2k94 h ALA 45 CO -0.77 0.12 -0.43 -0.07 0.00 0.00 0.00 179.25 178.10 2k94 h LEU 46 N 0.74 -1.14 -0.94 0.00 3.38 0.00 0.91 115.31 118.27 2k94 h LEU 46 Ca 0.23 0.08 0.16 0.00 0.09 0.00 0.00 57.88 58.44 2k94 h LEU 46 Cb -0.01 0.35 -0.16 0.00 0.09 0.00 0.00 40.66 40.93 2k94 h LEU 46 CO -0.09 -0.62 -0.32 -0.62 0.09 0.00 0.00 178.44 176.88 2k94 n GLU 47 N -5.11 -0.17 -0.12 1.13 4.71 0.12 0.11 120.64 121.30 2k94 n GLU 47 Ca -0.12 1.45 -0.12 0.00 -0.01 0.00 0.00 57.16 58.36 2k94 n GLU 47 Cb 0.42 -2.15 -0.02 0.00 -1.01 0.00 0.00 31.44 28.68 2k94 n GLU 47 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 2k94 h GLU 48 N 0.00 0.78 -0.61 3.49 4.81 -1.14 1.58 114.58 123.48 2k94 h GLU 48 Ca 0.37 -0.34 0.10 0.00 -0.13 0.00 0.00 59.36 59.37 2k94 h GLU 48 Cb 0.61 -0.02 -0.11 0.00 0.63 0.00 0.00 28.75 29.85 2k94 h GLU 48 CO -0.94 0.96 -0.36 1.49 -0.73 0.00 0.00 179.01 179.43 2k94 h GLU 49 N 0.57 -0.16 -0.43 1.92 4.57 0.81 0.61 114.58 122.47 2k94 h GLU 49 Ca 0.08 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 2k94 h GLU 49 Cb 0.72 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.35 2k94 h GLU 49 CO 0.05 -0.11 0.00 0.34 -1.18 0.00 0.00 179.01 178.11 2k94 n PHE 50 N -5.43 1.37 -3.26 0.92 7.35 -0.18 -5.01 117.46 113.22 2k94 n PHE 50 Ca 0.04 -0.76 -0.16 0.00 -0.76 0.00 0.00 57.45 55.81 2k94 n PHE 50 Cb 0.36 -0.35 0.02 0.00 0.35 0.00 0.00 39.48 39.85 2k94 n PHE 50 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 2k94 n ASP 51 N 0.19 -6.35 -3.63 -2.13 2.03 0.35 -5.00 116.55 102.00 2k94 n ASP 51 Ca 0.23 0.27 -0.09 0.00 0.52 0.00 0.00 54.79 55.72 2k94 n ASP 51 Cb 0.96 -2.11 -0.02 0.00 -0.72 0.00 0.00 41.12 39.23 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 -1.32 0.00 0.31 5.18 -1.32 0.45 -4.95 115.64 113.99 2k94 s THR 52 Ca 0.16 -0.47 0.05 0.00 -1.21 0.00 0.00 61.69 60.22 2k94 s THR 52 Cb -0.02 -1.48 -0.02 0.00 -1.51 0.00 0.00 72.50 69.47 2k94 s THR 52 CO 0.44 0.00 0.44 -0.70 -2.21 0.00 0.00 174.62 172.59 2k94 s GLU 53 N -3.80 3.26 -0.31 7.08 2.12 -1.26 -4.42 118.70 121.36 2k94 s GLU 53 Ca 0.06 -0.85 0.01 0.00 0.36 0.00 0.00 54.97 54.55 2k94 s GLU 53 Cb -0.03 -2.82 0.15 0.00 0.26 0.00 0.00 34.13 31.68 2k94 s GLU 53 CO -0.03 0.19 0.34 -1.50 -0.54 0.00 0.00 175.26 173.71 2k94 s ILE 54 N -2.13 -0.44 0.64 -3.70 -1.16 -1.26 -5.00 121.20 108.15 2k94 s ILE 54 Ca 0.41 -0.56 -0.15 0.00 -0.51 0.00 0.00 60.65 59.84 2k94 s ILE 54 Cb -0.09 -0.91 -0.01 0.00 0.61 0.00 0.00 42.46 42.05 2k94 s ILE 54 CO 0.31 -0.45 1.08 -2.16 -2.81 0.00 0.00 174.94 170.90 2k94 s PRO 55 N 2.18 3.03 0.27 3.50 0.04 -1.26 -4.80 135.00 137.96 2k94 s PRO 55 Ca 0.11 1.24 -0.00 0.00 0.04 0.00 0.00 61.00 62.39 2k94 s PRO 55 Cb -0.14 -1.99 0.60 0.00 0.04 0.00 0.00 34.50 33.01 2k94 s PRO 55 CO -0.26 -1.05 1.69 0.38 0.04 0.00 0.00 177.00 177.80 2k94 h ASP 56 N 0.08 0.16 -0.21 6.66 3.04 -2.01 0.13 116.42 124.27 2k94 h ASP 56 Ca -0.46 0.15 0.05 0.00 -3.24 0.00 0.00 57.03 53.53 2k94 h ASP 56 Cb 1.23 0.17 -0.05 0.00 -1.04 0.00 0.00 39.33 39.64 2k94 h ASP 56 CO 0.56 -0.03 -0.14 -0.33 -2.04 0.00 0.00 179.24 177.26 2k94 h GLU 57 N 0.33 -0.12 0.00 4.15 3.07 -2.05 0.40 114.58 120.35 2k94 h GLU 57 Ca 0.49 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.36 2k94 h GLU 57 Cb 0.90 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.84 2k94 h GLU 57 CO -0.53 -0.08 0.00 -1.91 -1.40 0.00 0.00 179.01 175.09 2k94 n GLU 58 N -5.30 0.38 -1.22 2.33 2.13 0.20 -3.74 120.64 115.43 2k94 n GLU 58 Ca -0.01 0.07 -0.19 0.00 0.66 0.00 0.00 57.16 57.69 2k94 n GLU 58 Cb 0.21 -1.50 -0.12 0.00 0.27 0.00 0.00 31.44 30.30 2k94 n GLU 58 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2k94 n ALA 59 N -1.20 6.40 0.00 4.31 0.00 0.14 -3.77 120.51 126.39 2k94 n ALA 59 Ca 0.11 -2.38 0.00 0.00 0.00 0.00 0.00 53.44 51.17 2k94 n ALA 59 Cb 0.13 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.35 2k94 n ALA 59 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2k94 n GLU 60 N 1.75 0.00 -1.52 0.00 2.13 -1.25 -4.79 120.64 116.96 2k94 n GLU 60 Ca 0.45 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.97 2k94 n GLU 60 Cb 0.75 -0.68 -0.01 0.00 0.27 0.00 0.00 31.44 31.77 2k94 n GLU 60 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2k94 n LYS 61 N -2.39 2.45 -1.14 5.31 5.02 -1.25 -4.01 118.16 122.15 2k94 n LYS 61 Ca 0.00 -2.66 -0.00 0.00 -2.02 0.00 0.00 58.31 53.63 2k94 n LYS 61 Cb 0.34 -2.13 -0.01 0.00 -0.02 0.00 0.00 35.03 33.21 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 0.25 0.00 1.02 -0.18 5.41 -1.26 -3.20 119.36 121.40 2k94 n ILE 62 Ca 0.49 -0.48 0.11 0.00 1.00 0.00 0.00 62.75 63.87 2k94 n ILE 62 Cb 0.48 0.70 -0.00 0.00 -0.71 0.00 0.00 39.64 40.10 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 0.24 0.00 -0.96 1.39 5.66 -1.26 -4.83 114.28 114.53 2k94 n THR 63 Ca -0.06 -0.13 0.00 0.00 -3.05 0.00 0.00 64.05 60.81 2k94 n THR 63 Cb 0.90 1.03 0.00 0.00 -1.55 0.00 0.00 70.33 70.71 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 -0.73 0.00 0.00 1.09 -2.24 -1.26 0.14 114.28 111.28 2k94 n THR 64 Ca 0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 2k94 n THR 64 Cb 0.40 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 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 -0.33 2.28 0.31 -1.26 -4.32 118.33 115.01 2k94 n VAL 65 Ca 0.00 0.18 0.25 0.00 -0.01 0.00 0.00 64.34 64.76 2k94 n VAL 65 Cb 0.00 -1.13 0.49 0.00 -0.91 0.00 0.00 33.84 32.29 2k94 n VAL 65 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 2k94 h GLN 66 N 0.00 0.21 -0.92 5.55 1.08 -1.75 1.20 115.11 120.49 2k94 h GLN 66 Ca 0.00 -0.01 0.14 0.00 -1.45 0.00 0.00 58.65 57.33 2k94 h GLN 66 Cb 0.00 -0.05 -0.09 0.00 -0.05 0.00 0.00 27.48 27.29 2k94 h GLN 66 CO 0.00 0.14 0.53 0.00 -0.95 0.00 0.00 178.83 178.54 2k94 h ALA 67 N 1.89 1.40 -0.31 3.87 0.00 -1.82 0.88 119.26 125.18 2k94 h ALA 67 Ca 0.75 0.06 -0.14 0.00 0.00 0.00 0.00 54.91 55.58 2k94 h ALA 67 Cb 1.78 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.47 2k94 h ALA 67 CO -0.67 0.03 -0.35 0.00 0.00 0.00 0.00 179.25 178.26 2k94 h ALA 68 N 1.55 0.45 -0.43 0.00 0.00 0.15 -2.07 119.26 118.91 2k94 h ALA 68 Ca 0.48 -0.43 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 2k94 h ALA 68 Cb 0.61 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2k94 h ALA 68 CO -0.32 0.52 -0.09 0.82 0.00 0.00 0.00 179.25 180.18 2k94 h ILE 69 N 0.54 1.25 -0.03 0.00 2.04 -0.32 -1.72 117.51 119.26 2k94 h ILE 69 Ca 0.04 -1.12 -0.08 0.00 1.00 0.00 0.00 64.86 64.70 2k94 h ILE 69 Cb 0.93 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 2k94 h ILE 69 CO 0.08 0.38 -0.36 0.44 0.00 0.00 0.00 178.15 178.69 2k94 h ASP 70 N 0.69 0.06 0.03 1.72 3.32 0.82 0.54 116.42 123.60 2k94 h ASP 70 Ca 0.12 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 2k94 h ASP 70 Cb 0.55 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.08 2k94 h ASP 70 CO 0.03 0.43 -0.02 0.22 -1.72 0.00 0.00 179.24 178.18 2k94 h TYR 71 N 0.06 -0.04 0.00 4.55 5.03 -0.81 -3.10 116.97 122.65 2k94 h TYR 71 Ca 0.00 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 2k94 h TYR 71 Cb 0.67 0.01 0.00 0.00 1.55 0.00 0.00 36.73 38.97 2k94 h TYR 71 CO 0.00 0.52 0.00 -0.89 -1.32 0.00 0.00 178.16 176.47 2k94 n ILE 72 N -4.83 0.58 0.20 1.81 2.08 -0.70 -2.74 119.36 115.75 2k94 n ILE 72 Ca -0.09 -0.02 -0.09 0.00 0.56 0.00 0.00 62.75 63.11 2k94 n ILE 72 Cb 0.29 -0.77 -0.04 0.00 -0.75 0.00 0.00 39.64 38.37 2k94 n ILE 72 CO 0.00 0.00 0.00 -1.13 0.56 0.00 0.00 176.55 175.98 2k94 h ASN 73 N 0.00 -0.55 0.00 4.38 -0.00 0.17 -3.44 115.58 116.13 2k94 h ASN 73 Ca 0.00 0.03 -0.04 0.00 -0.00 0.00 0.00 56.30 56.29 2k94 h ASN 73 Cb 0.53 0.16 -0.04 0.00 -0.00 0.00 0.00 38.32 38.96 2k94 h ASN 73 CO 0.00 -0.34 -0.10 0.61 -0.00 0.00 0.00 177.43 177.60 2k94 n GLY 74 N -1.28 -0.11 0.27 1.57 0.00 -1.24 -4.94 105.19 99.47 2k94 n GLY 74 Ca -0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.63 -3.11 1.61 2.76 -1.59 -3.42 115.15 110.76 2k94 h HIS 75 Ca -0.19 -0.01 -0.61 0.00 -2.20 0.00 0.00 60.37 57.36 2k94 h HIS 75 Cb 0.80 0.21 -0.08 0.00 1.55 0.00 0.00 27.41 29.89 2k94 h HIS 75 CO -0.07 -0.39 -0.28 -1.14 -1.30 0.00 0.00 177.93 174.74 2k94 s GLN 76 N -4.21 4.03 0.00 5.26 -0.44 -1.26 -5.14 119.66 117.91 2k94 s GLN 76 Ca -0.10 0.21 0.00 0.00 -2.50 0.00 0.00 55.36 52.97 2k94 s GLN 76 Cb 0.01 -3.32 0.00 0.00 -1.64 0.00 0.00 33.01 28.06 2k94 s GLN 76 CO 0.30 0.46 0.00 0.00 0.50 0.00 0.00 175.29 176.55