#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 2.77 -0.39 6.66 -2.24 -1.26 -4.74 114.28 115.08 2k94 n THR 2 Ca 0.00 -0.50 -0.03 0.00 -2.27 0.00 0.00 64.05 61.25 2k94 n THR 2 Cb 0.00 -0.98 0.01 0.00 -2.10 0.00 0.00 70.33 67.26 2k94 n THR 2 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k94 n ILE 3 N -1.27 -0.56 -0.32 2.28 0.00 -1.26 0.16 119.36 118.40 2k94 n ILE 3 Ca 0.12 2.35 0.04 0.00 0.00 0.00 0.00 62.75 65.26 2k94 n ILE 3 Cb 0.44 -3.06 0.19 0.00 0.00 0.00 0.00 39.64 37.21 2k94 n ILE 3 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 176.55 177.60 2k94 h GLU 4 N 0.00 0.84 -0.81 9.51 4.11 -1.87 -1.93 114.58 124.43 2k94 h GLU 4 Ca 0.31 -0.05 0.19 0.00 0.07 0.00 0.00 59.36 59.87 2k94 h GLU 4 Cb 0.55 -0.19 -0.15 0.00 0.50 0.00 0.00 28.75 29.46 2k94 h GLU 4 CO -0.98 0.56 -0.10 -1.91 0.07 0.00 0.00 179.01 176.65 2k94 n GLU 5 N -4.70 -0.07 -0.02 1.06 2.13 0.42 0.17 120.64 119.63 2k94 n GLU 5 Ca 0.15 1.24 -0.16 0.00 0.66 0.00 0.00 57.16 59.05 2k94 n GLU 5 Cb 0.30 -1.90 -0.09 0.00 0.27 0.00 0.00 31.44 30.02 2k94 n GLU 5 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2k94 h ARG 6 N 0.00 0.49 -0.11 5.31 3.08 -1.30 -3.22 114.38 118.63 2k94 h ARG 6 Ca 0.43 -0.43 0.03 0.00 0.07 0.00 0.00 59.98 60.08 2k94 h ARG 6 Cb 0.78 0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.90 2k94 h ARG 6 CO -0.80 1.07 -0.06 0.28 -1.07 0.00 0.00 179.97 179.39 2k94 h VAL 7 N 0.07 0.81 -0.82 2.04 2.07 0.17 -2.09 116.25 118.49 2k94 h VAL 7 Ca -0.05 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.67 2k94 h VAL 7 Cb 1.19 0.81 -0.14 0.00 -1.52 0.00 0.00 31.29 31.63 2k94 h VAL 7 CO 0.11 0.00 0.03 0.11 0.02 0.00 0.00 177.57 177.84 2k94 h LYS 8 N -0.05 0.10 0.00 1.57 1.79 0.16 0.24 116.57 120.37 2k94 h LYS 8 Ca 0.07 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 2k94 h LYS 8 Cb 0.15 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.78 2k94 h LYS 8 CO -0.15 0.06 0.00 1.63 -1.08 0.00 0.00 179.45 179.92 2k94 n LYS 9 N -5.36 0.00 -0.45 3.15 4.01 -0.79 0.80 118.16 119.52 2k94 n LYS 9 Ca 0.16 0.15 0.37 0.00 -0.51 0.00 0.00 58.31 58.49 2k94 n LYS 9 Cb 0.55 -0.76 0.65 0.00 -0.51 0.00 0.00 35.03 34.96 2k94 n LYS 9 CO 0.00 0.00 0.00 0.82 -1.11 0.00 0.00 177.40 177.11 2k94 h ILE 10 N 0.00 0.10 0.00 -0.18 2.04 -1.51 0.46 117.51 118.41 2k94 h ILE 10 Ca 0.00 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.84 2k94 h ILE 10 Cb 0.00 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.10 2k94 h ILE 10 CO 0.00 0.01 0.00 -0.38 0.00 0.00 0.00 178.15 177.78 2k94 n ILE 11 N -4.71 0.00 -0.43 -0.67 2.08 0.83 -1.15 119.36 115.30 2k94 n ILE 11 Ca 0.38 0.76 0.36 0.00 0.56 0.00 0.00 62.75 64.81 2k94 n ILE 11 Cb 1.45 -1.71 0.66 0.00 -0.75 0.00 0.00 39.64 39.29 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 0.87 0.64 7.39 0.00 0.86 0.29 103.07 113.11 2k94 h GLY 12 Ca 0.00 -0.10 0.01 0.00 0.00 0.00 0.00 47.33 47.24 2k94 h GLY 12 CO 0.00 -0.21 -0.26 1.46 0.00 0.00 0.00 176.54 177.52 2k94 h GLN 13 N 0.13 -0.51 -0.87 4.80 7.50 -0.06 0.97 115.11 127.08 2k94 h GLN 13 Ca 0.74 0.03 0.19 0.00 0.50 0.00 0.00 58.65 60.12 2k94 h GLN 13 Cb 2.45 0.11 -0.11 0.00 0.05 0.00 0.00 27.48 29.98 2k94 h GLN 13 CO -0.26 -0.34 0.39 1.96 -1.50 0.00 0.00 178.83 179.08 2k94 h GLN 14 N -0.52 0.44 -0.09 1.46 4.20 0.11 -0.49 115.11 120.23 2k94 h GLN 14 Ca 0.01 -0.03 -0.07 0.00 0.06 0.00 0.00 58.65 58.62 2k94 h GLN 14 Cb 0.51 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.19 2k94 h GLN 14 CO -0.09 0.29 -0.20 -0.07 -0.67 0.00 0.00 178.83 178.09 2k94 h LEU 15 N 0.46 0.33 0.00 1.46 -0.00 -1.18 -3.48 115.31 112.89 2k94 h LEU 15 Ca 0.52 -0.58 0.00 0.00 -0.00 0.00 0.00 57.88 57.82 2k94 h LEU 15 Cb 0.90 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 41.47 2k94 h LEU 15 CO -0.48 0.84 0.00 0.61 -0.00 0.00 0.00 178.44 179.42 2k94 n GLY 16 N 0.48 0.96 3.04 0.83 0.00 0.32 -5.11 105.19 105.70 2k94 n GLY 16 Ca -0.08 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.53 0.10 0.96 1.61 -7.23 -0.26 -5.00 120.40 109.05 2k94 s VAL 17 Ca 0.00 -0.82 -0.12 0.00 -1.81 0.00 0.00 61.98 59.23 2k94 s VAL 17 Cb 0.00 -0.34 0.07 0.00 0.56 0.00 0.00 36.38 36.67 2k94 s VAL 17 CO 0.00 -0.45 0.58 2.29 -0.31 0.00 0.00 175.10 177.21 2k94 n LYS 18 N 1.52 -0.48 0.26 4.82 2.85 -1.26 -3.79 118.16 122.09 2k94 n LYS 18 Ca -0.23 -0.09 0.12 0.00 -1.05 0.00 0.00 58.31 57.06 2k94 n LYS 18 Cb 0.55 -1.98 0.70 0.00 -0.65 0.00 0.00 35.03 33.65 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 -1.71 0.00 -0.14 -1.58 -0.00 -1.91 -2.01 115.11 107.77 2k94 h GLN 19 Ca -0.44 0.00 -0.14 0.00 -0.00 0.00 0.00 58.65 58.06 2k94 h GLN 19 Cb 1.28 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.76 2k94 h GLN 19 CO 0.36 0.13 -0.53 1.49 -0.00 0.00 0.00 178.83 180.29 2k94 h GLU 20 N 0.00 0.40 -0.03 0.06 4.57 -1.96 -3.17 114.58 114.45 2k94 h GLU 20 Ca -0.00 -0.24 -0.00 0.00 -1.18 0.00 0.00 59.36 57.94 2k94 h GLU 20 Cb 0.39 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.00 2k94 h GLU 20 CO 0.02 0.83 0.01 1.49 -1.18 0.00 0.00 179.01 180.18 2k94 h GLU 21 N 0.31 0.04 -6.23 1.92 4.22 -1.69 -3.43 114.58 109.72 2k94 h GLU 21 Ca 0.01 -0.01 -0.70 0.00 0.08 0.00 0.00 59.36 58.74 2k94 h GLU 21 Cb 1.03 -0.01 0.05 0.00 0.50 0.00 0.00 28.75 30.32 2k94 h GLU 21 CO 0.09 0.17 0.51 0.28 -2.18 0.00 0.00 179.01 177.88 2k94 n VAL 22 N -5.00 0.05 -2.85 0.32 0.31 -1.18 -4.96 118.33 105.03 2k94 n VAL 22 Ca -0.07 -0.01 -0.20 0.00 -0.01 0.00 0.00 64.34 64.05 2k94 n VAL 22 Cb 0.10 -0.85 0.09 0.00 -0.91 0.00 0.00 33.84 32.27 2k94 n VAL 22 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2k94 n THR 23 N 2.85 0.00 -0.07 2.52 -2.24 -1.26 -5.01 114.28 111.07 2k94 n THR 23 Ca 0.20 -1.71 -0.07 0.00 -2.27 0.00 0.00 64.05 60.20 2k94 n THR 23 Cb 0.17 -0.70 -0.02 0.00 -2.10 0.00 0.00 70.33 67.68 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 -2.59 1.49 -3.73 3.42 4.13 -1.26 -3.02 115.26 113.69 2k94 n ASN 24 Ca 0.16 0.25 -0.42 0.00 1.68 0.00 0.00 54.58 56.25 2k94 n ASN 24 Cb 0.57 -0.67 0.01 0.00 -1.54 0.00 0.00 39.78 38.15 2k94 n ASN 24 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 2k94 n ASN 25 N -4.00 7.04 -3.42 6.41 2.85 -1.26 -2.94 115.26 119.93 2k94 n ASN 25 Ca -0.11 -3.48 -0.17 0.00 -0.11 0.00 0.00 54.58 50.71 2k94 n ASN 25 Cb 0.39 -1.25 -0.10 0.00 1.24 0.00 0.00 39.78 40.06 2k94 n ASN 25 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k94 s ALA 26 N -3.05 -0.46 1.00 5.20 0.00 -1.26 -5.11 121.76 118.08 2k94 s ALA 26 Ca 0.39 -0.04 -0.18 0.00 0.00 0.00 0.00 51.96 52.13 2k94 s ALA 26 Cb 0.14 -1.65 -0.15 0.00 0.00 0.00 0.00 23.12 21.47 2k94 s ALA 26 CO -0.05 -1.53 -0.84 0.45 0.00 0.00 0.00 175.76 173.80 2k94 n SER 27 N 5.32 -5.53 0.00 0.00 2.88 -1.26 -4.05 113.62 110.98 2k94 n SER 27 Ca -0.03 0.16 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 2k94 n SER 27 Cb 0.48 -0.75 0.00 0.00 -0.75 0.00 0.00 64.21 63.18 2k94 n SER 27 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 2k94 n PHE 28 N -2.67 0.00 -0.11 0.66 3.01 6.11 -3.58 117.46 120.89 2k94 n PHE 28 Ca -0.02 -0.30 -0.16 0.00 1.01 0.00 0.00 57.45 57.99 2k94 n PHE 28 Cb 0.58 -0.03 -0.13 0.00 -0.01 0.00 0.00 39.48 39.89 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 -0.30 1.49 0.00 -4.37 0.31 -1.22 -1.57 118.33 112.68 2k94 n VAL 29 Ca 0.00 -0.67 -0.02 0.00 -0.01 0.00 0.00 64.34 63.64 2k94 n VAL 29 Cb 0.19 -1.16 -0.01 0.00 -0.91 0.00 0.00 33.84 31.95 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 -3.13 0.13 -0.16 5.55 1.02 -1.26 -3.66 120.64 119.13 2k94 n GLU 30 Ca -0.40 0.05 -0.04 0.00 -0.02 0.00 0.00 57.16 56.75 2k94 n GLU 30 Cb 1.05 -0.63 -0.04 0.00 -0.02 0.00 0.00 31.44 31.79 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 -3.47 -0.41 0.08 1.62 -0.08 -1.26 -1.40 116.55 111.63 2k94 n ASP 31 Ca -0.03 1.30 -0.14 0.00 -1.51 0.00 0.00 54.79 54.41 2k94 n ASP 31 Cb 0.12 -0.39 -0.07 0.00 2.34 0.00 0.00 41.12 43.12 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 0.47 -2.91 -2.67 -0.00 -1.79 -3.49 115.31 104.92 2k94 h LEU 32 Ca 0.06 -0.41 -0.03 0.00 -0.00 0.00 0.00 57.88 57.50 2k94 h LEU 32 Cb 0.16 -0.15 0.03 0.00 -0.00 0.00 0.00 40.66 40.70 2k94 h LEU 32 CO -0.36 1.23 -0.11 0.61 -0.00 0.00 0.00 178.44 179.81 2k94 n GLY 33 N 1.10 0.36 3.39 0.83 0.00 -0.49 -4.99 105.19 105.38 2k94 n GLY 33 Ca -0.07 -0.12 -0.44 0.00 0.00 0.00 0.00 46.02 45.38 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 3.35 1.02 4.61 0.00 -0.61 -4.97 121.76 122.10 2k94 s ALA 34 Ca 0.06 -2.17 -0.19 0.00 0.00 0.00 0.00 51.96 49.66 2k94 s ALA 34 Cb -0.01 -3.63 0.02 0.00 0.00 0.00 0.00 23.12 19.51 2k94 s ALA 34 CO 0.12 -2.48 -0.40 -0.40 0.00 0.00 0.00 175.76 172.61 2k94 n ASP 35 N 6.65 -2.67 0.00 0.00 5.75 -1.26 -4.25 116.55 120.77 2k94 n ASP 35 Ca -0.07 -0.14 0.07 0.00 -0.01 0.00 0.00 54.79 54.63 2k94 n ASP 35 Cb 0.43 -0.74 0.32 0.00 -1.03 0.00 0.00 41.12 40.10 2k94 n ASP 35 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2k94 n SER 36 N 0.28 0.00 0.06 -1.12 3.41 -1.26 -1.45 113.62 113.54 2k94 n SER 36 Ca 0.01 0.26 0.11 0.00 -0.26 0.00 0.00 58.87 59.00 2k94 n SER 36 Cb 0.56 -0.38 -0.05 0.00 -0.26 0.00 0.00 64.21 64.09 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 -1.38 0.55 -0.06 1.04 4.77 -1.26 -3.51 117.00 117.16 2k94 n LEU 37 Ca 0.05 0.18 -0.17 0.00 -0.03 0.00 0.00 56.01 56.04 2k94 n LEU 37 Cb 0.13 -0.05 -0.14 0.00 -2.33 0.00 0.00 43.42 41.04 2k94 n LEU 37 CO 0.11 -0.10 -1.02 -0.67 -1.33 0.00 0.00 177.39 174.38 2k94 n ASP 38 N -2.44 1.59 -0.18 -1.43 -0.08 -0.52 -3.73 116.55 109.75 2k94 n ASP 38 Ca -0.01 0.08 -0.07 0.00 -1.51 0.00 0.00 54.79 53.28 2k94 n ASP 38 Cb 0.54 -0.31 0.08 0.00 2.34 0.00 0.00 41.12 43.77 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 0.03 1.26 0.13 5.18 2.02 -1.46 -2.31 112.91 117.76 2k94 h THR 39 Ca -0.48 -1.05 -0.01 0.00 0.77 0.00 0.00 66.41 65.64 2k94 h THR 39 Cb 2.01 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 69.18 2k94 h THR 39 CO 0.01 0.38 -0.06 0.58 0.37 0.00 0.00 175.52 176.80 2k94 h VAL 40 N 0.92 0.00 -0.86 3.16 2.07 -1.74 -2.23 116.25 117.56 2k94 h VAL 40 Ca 0.18 -0.03 0.25 0.00 0.82 0.00 0.00 66.70 67.92 2k94 h VAL 40 Cb 0.47 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.21 2k94 h VAL 40 CO 0.02 0.00 0.97 -0.33 0.02 0.00 0.00 177.57 178.25 2k94 h GLU 41 N -0.20 0.00 0.35 1.57 5.08 -1.64 0.80 114.58 120.53 2k94 h GLU 41 Ca -0.02 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 2k94 h GLU 41 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2k94 h GLU 41 CO 0.03 0.00 -0.17 1.25 -1.00 0.00 0.00 179.01 179.12 2k94 h LEU 42 N 0.00 -0.40 -0.86 1.33 6.46 -1.05 -0.59 115.31 120.21 2k94 h LEU 42 Ca 0.41 0.01 0.12 0.00 -0.12 0.00 0.00 57.88 58.30 2k94 h LEU 42 Cb 2.34 0.10 -0.08 0.00 -0.73 0.00 0.00 40.66 42.29 2k94 h LEU 42 CO -0.00 -0.17 0.48 0.58 -0.62 0.00 0.00 178.44 178.71 2k94 h VAL 43 N -0.70 0.84 0.12 1.05 2.07 -0.33 -0.03 116.25 119.28 2k94 h VAL 43 Ca -0.05 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 2k94 h VAL 43 Cb 0.36 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.15 2k94 h VAL 43 CO 0.08 0.14 -0.07 0.24 0.02 0.00 0.00 177.57 177.97 2k94 h MET 44 N 0.76 -0.17 -0.70 1.57 2.86 -1.14 -1.76 114.93 116.35 2k94 h MET 44 Ca 0.44 0.01 0.12 0.00 -2.06 0.00 0.00 59.70 58.21 2k94 h MET 44 Cb 0.49 0.04 -0.13 0.00 0.06 0.00 0.00 31.60 32.06 2k94 h MET 44 CO -0.29 -0.12 -0.35 0.00 1.06 0.00 0.00 176.91 177.22 2k94 h ALA 45 N -1.79 0.02 -0.67 6.32 0.00 -0.88 -0.65 119.26 121.61 2k94 h ALA 45 Ca -0.02 0.20 0.06 0.00 0.00 0.00 0.00 54.91 55.15 2k94 h ALA 45 Cb 0.14 0.84 -0.09 0.00 0.00 0.00 0.00 17.79 18.68 2k94 h ALA 45 CO 0.02 -0.66 -0.50 -0.07 0.00 0.00 0.00 179.25 178.03 2k94 h LEU 46 N -0.12 -1.79 -1.66 0.00 3.38 -0.92 1.46 115.31 115.67 2k94 h LEU 46 Ca 0.26 0.26 0.46 0.00 0.09 0.00 0.00 57.88 58.95 2k94 h LEU 46 Cb 0.56 0.77 -0.10 0.00 0.09 0.00 0.00 40.66 41.98 2k94 h LEU 46 CO -0.76 -0.26 1.02 -0.33 0.09 0.00 0.00 178.44 178.20 2k94 h GLU 47 N -0.14 0.06 0.11 1.13 3.07 -0.19 1.17 114.58 119.79 2k94 h GLU 47 Ca 0.11 -0.00 -0.33 0.00 -0.50 0.00 0.00 59.36 58.64 2k94 h GLU 47 Cb 0.42 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.31 2k94 h GLU 47 CO -0.70 0.04 -1.73 1.49 -1.40 0.00 0.00 179.01 176.70 2k94 h GLU 48 N 0.06 0.24 -0.18 2.33 4.81 0.17 1.60 114.58 123.61 2k94 h GLU 48 Ca 0.82 -0.41 0.02 0.00 -0.13 0.00 0.00 59.36 59.66 2k94 h GLU 48 Cb 2.87 0.15 -0.02 0.00 0.63 0.00 0.00 28.75 32.38 2k94 h GLU 48 CO -0.24 1.08 -0.11 -1.91 -0.73 0.00 0.00 179.01 177.10 2k94 n GLU 49 N -3.42 -0.08 -1.05 1.92 4.07 0.40 -0.62 120.64 121.87 2k94 n GLU 49 Ca -0.22 1.03 -0.12 0.00 -0.06 0.00 0.00 57.16 57.79 2k94 n GLU 49 Cb 1.05 -1.54 0.24 0.00 -0.06 0.00 0.00 31.44 31.14 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 -3.37 2.44 -3.32 4.31 7.35 -1.12 -4.98 117.46 118.76 2k94 n PHE 50 Ca 0.00 -1.48 -0.17 0.00 -0.76 0.00 0.00 57.45 55.04 2k94 n PHE 50 Cb 0.05 -0.74 0.02 0.00 0.35 0.00 0.00 39.48 39.15 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 -0.67 -6.13 -3.43 -2.13 2.03 0.21 -5.00 116.55 101.43 2k94 n ASP 51 Ca 0.46 0.17 -0.12 0.00 0.52 0.00 0.00 54.79 55.82 2k94 n ASP 51 Cb 1.43 -1.69 -0.02 0.00 -0.72 0.00 0.00 41.12 40.11 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 -1.23 0.00 0.41 5.18 -1.32 0.55 -4.98 115.64 114.26 2k94 s THR 52 Ca 0.17 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.65 2k94 s THR 52 Cb -0.02 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 69.96 2k94 s THR 52 CO 0.40 0.00 0.63 -0.70 -2.21 0.00 0.00 174.62 172.75 2k94 s GLU 53 N -3.46 3.23 -0.10 7.08 -6.30 -1.26 -4.31 118.70 113.58 2k94 s GLU 53 Ca 0.00 -0.42 -0.02 0.00 -2.50 0.00 0.00 54.97 52.03 2k94 s GLU 53 Cb -0.01 -2.59 0.04 0.00 0.00 0.00 0.00 34.13 31.57 2k94 s GLU 53 CO -0.11 -0.12 0.04 -1.50 0.02 0.00 0.00 175.26 173.59 2k94 s ILE 54 N -2.48 0.18 1.17 -3.70 -1.16 -1.26 -5.00 121.20 108.95 2k94 s ILE 54 Ca 0.45 0.07 -0.19 0.00 -0.51 0.00 0.00 60.65 60.47 2k94 s ILE 54 Cb -0.10 -0.50 0.28 0.00 0.61 0.00 0.00 42.46 42.75 2k94 s ILE 54 CO 0.37 0.08 1.17 -2.16 -2.81 0.00 0.00 174.94 171.60 2k94 s PRO 55 N 2.04 -0.97 -0.08 3.50 0.04 -1.26 -4.99 135.00 133.28 2k94 s PRO 55 Ca 0.04 -0.24 -0.17 0.00 0.04 0.00 0.00 61.00 60.67 2k94 s PRO 55 Cb -0.13 -1.64 -0.13 0.00 0.04 0.00 0.00 34.50 32.64 2k94 s PRO 55 CO -0.06 -3.51 0.61 0.22 0.04 0.00 0.00 177.00 174.30 2k94 h ASP 56 N -2.43 -0.14 -0.97 6.66 3.58 -2.01 -3.28 116.42 117.82 2k94 h ASP 56 Ca -0.43 -0.34 0.29 0.00 0.42 0.00 0.00 57.03 56.97 2k94 h ASP 56 Cb 1.27 0.04 -0.14 0.00 1.72 0.00 0.00 39.33 42.21 2k94 h ASP 56 CO 0.31 0.46 0.49 -0.33 -2.88 0.00 0.00 179.24 177.29 2k94 h GLU 57 N -0.95 0.31 -0.70 0.28 5.08 -2.06 1.46 114.58 118.01 2k94 h GLU 57 Ca -0.02 -0.02 0.20 0.00 -1.00 0.00 0.00 59.36 58.53 2k94 h GLU 57 Cb 0.47 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 2k94 h GLU 57 CO 0.03 0.21 0.57 1.49 -1.00 0.00 0.00 179.01 180.30 2k94 h GLU 58 N 0.32 0.00 -3.54 2.33 4.22 -1.95 -3.10 114.58 112.87 2k94 h GLU 58 Ca 0.68 0.00 -0.36 0.00 0.08 0.00 0.00 59.36 59.76 2k94 h GLU 58 Cb 1.49 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.76 2k94 h GLU 58 CO -0.61 0.00 2.48 0.00 -2.18 0.00 0.00 179.01 178.70 2k94 n ALA 59 N -2.57 4.36 0.00 2.92 0.00 0.50 -3.20 120.51 122.53 2k94 n ALA 59 Ca 0.14 -1.91 0.00 0.00 0.00 0.00 0.00 53.44 51.67 2k94 n ALA 59 Cb 0.83 -2.99 0.00 0.00 0.00 0.00 0.00 19.45 17.29 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 4.41 0.00 -1.73 0.00 1.02 -1.17 -4.88 120.64 118.29 2k94 n GLU 60 Ca 0.41 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 57.17 2k94 n GLU 60 Cb 0.13 -0.19 0.05 0.00 -0.02 0.00 0.00 31.44 31.42 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 -2.19 2.74 -2.77 3.49 5.02 -1.19 -4.52 118.16 118.74 2k94 n LYS 61 Ca 0.00 -3.45 -0.13 0.00 -2.02 0.00 0.00 58.31 52.71 2k94 n LYS 61 Cb 0.02 -2.28 0.01 0.00 -0.02 0.00 0.00 35.03 32.77 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 -0.66 0.93 0.08 -0.18 5.41 -1.26 -3.48 119.36 120.20 2k94 n ILE 62 Ca 0.57 -3.64 0.02 0.00 1.00 0.00 0.00 62.75 60.70 2k94 n ILE 62 Cb 0.37 0.22 0.03 0.00 -0.71 0.00 0.00 39.64 39.55 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 -0.03 0.37 -2.90 1.39 5.66 -1.26 -4.96 114.28 112.55 2k94 n THR 63 Ca 0.16 -0.68 0.00 0.00 -3.05 0.00 0.00 64.05 60.48 2k94 n THR 63 Cb 0.76 0.87 0.00 0.00 -1.55 0.00 0.00 70.33 70.40 2k94 n THR 63 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 2k94 n THR 64 N 0.08 0.00 -0.06 1.09 -1.04 -1.26 0.96 114.28 114.05 2k94 n THR 64 Ca 0.03 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 62.02 2k94 n THR 64 Cb 0.17 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.68 2k94 n THR 64 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2k94 h VAL 65 N 0.22 0.00 -0.36 12.58 2.07 -1.70 -3.33 116.25 125.73 2k94 h VAL 65 Ca 0.00 -0.92 0.07 0.00 0.82 0.00 0.00 66.70 66.67 2k94 h VAL 65 Cb 0.00 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.70 2k94 h VAL 65 CO 0.00 0.00 -0.07 -0.61 0.02 0.00 0.00 177.57 176.91 2k94 h GLN 66 N -0.92 0.02 -0.99 1.57 -0.00 -1.44 -1.03 115.11 112.32 2k94 h GLN 66 Ca 0.00 -0.00 0.27 0.00 -0.00 0.00 0.00 58.65 58.91 2k94 h GLN 66 Cb 0.24 -0.01 -0.18 0.00 0.00 0.00 0.00 27.48 27.53 2k94 h GLN 66 CO 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 178.83 178.84 2k94 h ALA 67 N 1.35 1.12 0.29 3.38 0.00 -1.76 0.44 119.26 124.09 2k94 h ALA 67 Ca 0.17 0.35 -0.01 0.00 0.00 0.00 0.00 54.91 55.42 2k94 h ALA 67 Cb 0.26 0.62 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2k94 h ALA 67 CO -0.35 -0.55 -0.14 0.00 0.00 0.00 0.00 179.25 178.20 2k94 h ALA 68 N 1.99 -0.40 -1.31 0.00 0.00 -1.23 -2.49 119.26 115.83 2k94 h ALA 68 Ca 0.59 -0.15 0.38 0.00 0.00 0.00 0.00 54.91 55.73 2k94 h ALA 68 Cb 1.19 0.15 -0.08 0.00 0.00 0.00 0.00 17.79 19.05 2k94 h ALA 68 CO -0.94 -0.63 0.90 0.82 0.00 0.00 0.00 179.25 179.40 2k94 h ILE 69 N -0.59 0.30 -0.34 0.00 1.08 0.23 0.77 117.51 118.96 2k94 h ILE 69 Ca -0.04 -0.04 -0.02 0.00 -0.39 0.00 0.00 64.86 64.37 2k94 h ILE 69 Cb 0.43 0.18 -0.02 0.00 -3.07 0.00 0.00 36.82 34.34 2k94 h ILE 69 CO 0.07 0.02 0.14 -0.78 -0.69 0.00 0.00 178.15 176.90 2k94 h ASP 70 N 0.11 0.47 -0.69 1.72 1.82 -0.62 1.40 116.42 120.63 2k94 h ASP 70 Ca 0.69 -0.17 -0.08 0.00 -0.39 0.00 0.00 57.03 57.09 2k94 h ASP 70 Cb 2.40 -0.12 -0.03 0.00 0.68 0.00 0.00 39.33 42.26 2k94 h ASP 70 CO -0.17 0.51 0.14 0.22 -1.61 0.00 0.00 179.24 178.32 2k94 h TYR 71 N 0.40 1.19 0.00 0.28 3.20 0.58 -1.91 116.97 120.72 2k94 h TYR 71 Ca 0.11 -0.15 0.00 0.00 3.14 0.00 0.00 58.73 61.83 2k94 h TYR 71 Cb 0.18 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.12 2k94 h TYR 71 CO -0.00 0.98 -0.10 -0.89 -1.64 0.00 0.00 178.16 176.51 2k94 n ILE 72 N -4.22 0.48 0.02 1.81 2.08 -0.55 -1.30 119.36 117.68 2k94 n ILE 72 Ca 0.05 -0.24 -0.01 0.00 0.56 0.00 0.00 62.75 63.11 2k94 n ILE 72 Cb 0.28 -0.49 -0.00 0.00 -0.75 0.00 0.00 39.64 38.67 2k94 n ILE 72 CO 0.00 0.00 0.00 0.78 0.56 0.00 0.00 176.55 177.89 2k94 h ASN 73 N 0.00 -0.04 0.00 4.38 2.35 0.27 -3.44 115.58 119.10 2k94 h ASN 73 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2k94 h ASN 73 Cb 0.71 0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.09 2k94 h ASN 73 CO 0.00 -0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.39 2k94 n GLY 74 N 0.81 -1.66 2.91 2.83 0.00 -0.98 -4.91 105.19 104.19 2k94 n GLY 74 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.07 -3.43 -2.95 1.61 -0.00 -0.42 -4.27 115.22 105.70 2k94 n HIS 75 Ca 0.00 1.39 0.00 0.00 -0.00 0.00 0.00 57.72 59.11 2k94 n HIS 75 Cb 0.42 -3.87 0.00 0.00 -0.00 0.00 0.00 29.99 26.54 2k94 n HIS 75 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 2k94 n GLN 76 N -0.27 -0.25 -0.24 1.57 1.13 -1.26 -5.01 117.38 113.05 2k94 n GLN 76 Ca 0.10 0.70 0.00 0.00 -1.94 0.00 0.00 57.00 55.86 2k94 n GLN 76 Cb 0.48 -0.88 0.00 0.00 0.11 0.00 0.00 30.24 29.94 2k94 n GLN 76 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62